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Histone H2B

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

AlphaFold DB , UniProt , Accession A0A060W843, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 116 aa.

						>A0A060W843_ONCMY|A0A060W843
MSNDVTKKKGKAVGEKKTKRKAKRRETYAVYIYKVLKQVHPDTGISSRAMSIMNSFVNDVFERIATEASRLTQYNKRSTITSREVQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	38.7	Very low	248 Å²	248	168 Å²	168	100%	1.222	88%	0.883	S	S	*	*				0	92.9	0	-74.8	163.4	166.8	0	0	107.1
2	S	37	Very low	39.1	Very low	117 Å²	117	162.2 Å²	162.2	82%	0.818	88%	0.877	S	S	*	*			trans	-106.1	116.6	-176.3	-54.2	0	0	0	0	108.1
3	N	37.6	Very low	39.3	Very low	169 Å²	169	159.9 Å²	159.9	90%	0.904	87%	0.872	S	S	*	*			trans	-106.9	103.7	173.4	-86	-6.3	0	0	0	109.4
4	D	36.9	Very low	39.7	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	86%	0.863	S	S	*	*			trans	-78.1	136.8	175.5	-150.7	-66.6	0	0	0	110.4	T6	D4-T6 PolarHBondContact O-N 3.35Å
5	V	43	Very low	40.1	Very low	135 Å²	135	155.5 Å²	155.5	82%	0.818	86%	0.861	S	S	*	*			trans	-85.1	98.8	-174.6	175.4	0	0	0	0	109.4	K7	V5-K7 PolarHBondContact O-N 2.69Å
6	T	40.3	Very low	40.8	Very low	128 Å²	128	157.9 Å²	157.9	79%	0.785	86%	0.861	S	S	*	*			trans	-91.9	104.6	172.3	55.5	0	0	0	0	112.2	D4 K8	D4-T6 PolarHBondContact O-N 3.35Å; T6-K8 PolarHBondContact O-N 3.04Å
7	K	40.3	Very low	41.5	Very low	202 Å²	202	160.4 Å²	160.4	88%	0.878	86%	0.861	S	S	*	*			trans	-63.9	110.9	170.1	-171.2	175	-175.9	172.4	0	111	V5 K9	V5-K7 PolarHBondContact O-N 2.69Å; K7-K9 PolarHBondContact O-N 3.16Å
8	K	37.7	Very low	42.4	Very low	210 Å²	210	158.3 Å²	158.3	91%	0.913	86%	0.855	S	S	*	*			trans	-67.1	114.5	174.1	-103.7	177.7	178	171.4	0	110.9	T6	T6-K8 PolarHBondContact O-N 3.04Å
9	K	37.1	Very low	43.4	Very low	204 Å²	204	160.4 Å²	160.4	89%	0.887	86%	0.855	S	S	*	*			trans	-67.3	123.9	167.2	-89	175.8	172.9	173.7	0	110.2	K7	K7-K9 PolarHBondContact O-N 3.16Å
10	G	36.6	Very low	44.4	Very low	76 Å²	76	164.5 Å²	164.5	78%	0.784	86%	0.858	S	S	*	*			trans	-63.5	132.1	165.5	0	0	0	0	0	110.9	A12	G10-A12 PolarHBondContact O-N 3.37Å
11	K	37.2	Very low	45.4	Very low	211 Å²	211	166.6 Å²	166.6	92%	0.917	86%	0.861	S	S	*	*			trans	-69.2	107.6	171.5	-84.8	177.9	171.6	177.2	0	108.7	V13	K11-V13 PolarHBondContact O-N 3.09Å
12	A	43.2	Very low	46.7	Very low	98 Å²	98	159.3 Å²	159.3	81%	0.81	84%	0.84	S	S	*	*			trans	-69.5	121.5	163.4	0	0	0	0	0	108.6	G10 G14	G10-A12 PolarHBondContact O-N 3.37Å; A12-G14 PolarHBondContact O-N 2.81Å
13	V	41.9	Very low	48.3	Very low	133 Å²	133	163.3 Å²	163.3	81%	0.806	84%	0.843	S	S	*	*			trans	-56.9	120.1	174.6	174	0	0	0	0	108.5	K11 E15	K11-V13 PolarHBondContact O-N 3.09Å; V13-E15 PolarHBondContact O-N 3Å
14	G	45.7	Very low	49.9	Very low	72 Å²	72	166 Å²	166	74%	0.742	84%	0.84	S	S	*	*			trans	-67.2	95.9	175.7	0	0	0	0	0	110.4	A12 K16	A12-G14 PolarHBondContact O-N 2.81Å; G14-K16 PolarHBondContact O-N 3.01Å
15	E	45.5	Very low	51.9	Low	181 Å²	181	168.8 Å²	168.8	85%	0.846	84%	0.84	S	S	*	*			trans	-58.9	117.3	163	-91.5	-179	118.5	0	0	108.7	V13 K17	V13-E15 PolarHBondContact O-N 3Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.19Å
16	K	50.8	Low	53.8	Low	195 Å²	195	170.6 Å²	170.6	85%	0.848	84%	0.839	S	S	*	*			trans	-52	98.7	165.1	-83.1	173.5	174	171.9	0	108	G14 T18	G14-K16 PolarHBondContact O-N 3.01Å; K16-T18 PolarHBondContact O-N 3.34Å
17	K	52.9	Low	56.3	Low	200 Å²	200	167.4 Å²	167.4	87%	0.87	82%	0.819	S	S	*	*			trans	-62.4	88	159.6	-80.7	-176.4	178.2	177.4	0	107.1	E15 K19	E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.19Å; K17-K19 PolarHBondContact O-N 3.17Å
18	T	57	Low	59	Low	122 Å²	122	161.7 Å²	161.7	75%	0.748	79%	0.793	S	S	*	*			trans	-50.1	106.8	160.4	27.8	0	0	0	0	106.2	K16 R20	K16-T18 PolarHBondContact O-N 3.34Å; T18-R20 VanDerWaalsContact C-N 3.29Å; T18-R20 PolarHBondContact O-N 3.24Å
19	K	61.5	Low	61.8	Low	199 Å²	199	153 Å²	153	87%	0.865	76%	0.76	S	S	*	*			trans	-56.5	98.6	173.9	-74.7	179.9	177.4	176.9	0	106.1	K17 K21	K17-K19 PolarHBondContact O-N 3.17Å; K19-K21 PolarHBondContact O-N 3.02Å
20	R	63.7	Low	64.6	Low	241 Å²	241	147.6 Å²	147.6	91%	0.909	74%	0.744	S	S	*	*			trans	-50.8	115	172	-81.6	-179.1	171	175.1	-2.8	105.7	T18 A22	T18-R20 VanDerWaalsContact C-N 3.29Å; T18-R20 PolarHBondContact O-N 3.24Å; R20-A22 PolarHBondContact O-N 3.29Å
21	K	66.1	Low	67.5	Low	209 Å²	209	151 Å²	151	91%	0.909	74%	0.735	S	S	*	*			trans	-52.6	114.1	174.1	-84.6	-179	174.1	178.1	0	106.1	K19 K23	K19-K21 PolarHBondContact O-N 3.02Å; K21-K23 PolarHBondContact O-N 2.97Å
22	A	69.1	Low	70.4	Confident	96 Å²	96	142 Å²	142	79%	0.793	70%	0.696	S	S	*	*			trans	-54.2	126.9	175.8	0	0	0	0	0	107.5	R20 R24	R20-A22 PolarHBondContact O-N 3.29Å; A22-R24 PolarHBondContact O-N 3.37Å; A22-R24 VanDerWaalsContact O-N 3.13Å
23	K	69.7	Low	73	Confident	201 Å²	201	142.8 Å²	142.8	87%	0.874	68%	0.679	S	S	*	*			trans	-55	122.7	176.2	-169.4	175.7	-178.3	-178.8	0	106.9	K21 R25	K21-K23 PolarHBondContact O-N 2.97Å; K23-R25 PolarHBondContact O-N 3.31Å
24	R	72.2	Confident	75.7	Confident	226 Å²	226	142.3 Å²	142.3	85%	0.853	67%	0.666	S	S	*	*			trans	-57.5	113.9	-179.4	-177.1	177.8	179.5	-178.9	-1.9	107.7	A22 E26	A22-R24 PolarHBondContact O-N 3.37Å; A22-R24 VanDerWaalsContact O-N 3.13Å; R24-E26 PolarHBondContact O-N 2.98Å
25	R	77.6	Confident	78.2	Confident	205 Å²	205	142.8 Å²	142.8	77%	0.774	65%	0.654	S	S	*	*			trans	-79.7	113.5	171.9	-170.6	176.5	177	-177.1	-1.1	106.9	K23 T27	K23-R25 PolarHBondContact O-N 3.31Å; R25-T27 HydrophobicContact CB-CG2 4.48Å; R25-T27 HydrophobicContact CG-CG2 3.97Å; R25-T27 PolarHBondContact O-N 2.88Å
26	E	83.1	Confident	80.7	Confident	174 Å²	174	135.7 Å²	135.7	81%	0.813	62%	0.622	S	S	*	*			trans	-68.1	126.8	171.5	-67.3	-177.1	172.1	0	0	108.6	R24	R24-E26 PolarHBondContact O-N 2.98Å
27	T	94.3	Very high	83	Confident	60 Å²	60	129.3 Å²	129.3	37%	0.368	59%	0.594	S	S	.	*			trans	-144.6	157	-178.9	66.6	0	0	0	0	108.9	R25 A29 N54	R25-T27 HydrophobicContact CB-CG2 4.48Å; R25-T27 HydrophobicContact CG-CG2 3.97Å; R25-T27 PolarHBondContact O-N 2.88Å; T27-A29 PolarHBondContact O-N 3.45Å; T27-N54 WeakPolarHBondContact CA-OD1 3.32Å; T27-N54 WeakPolarHBondContact CB-OD1 3.32Å
28	Y	96.8	Very high	85.1	Confident	83 Å²	83	127.3 Å²	127.3	33%	0.325	59%	0.588	S	S	.	*	S	Bend	trans	-83.3	5.4	175.1	-67.8	-79	0	0	0	113.5	V30 Y31 I32 N54 V57 N58	Y28-V30 VanDerWaalsContact C-N 3.31Å; Y28-V30 PolarHBondContact O-N 2.99Å; Y28-Y31 HydrophobicContact CD1-CD2 4.18Å; Y28-Y31 PolarHBondContact O-N 2.96Å; Y28-I32 WeakPolarHBondContact O-CG1 3.48Å; Y28-I32 PolarHBondContact O-N 3Å; Y28-N54 PolarHBondContact N-OD1 3.17Å; Y28-V57 HydrophobicContact CD1-CG1 4.03Å; Y28-V57 HydrophobicContact CD2-CB 4.05Å; Y28-V57 HydrophobicContact CD2-CG1 3.54Å; Y28-V57 HydrophobicContact CE1-CG1 4.16Å; Y28-V57 HydrophobicContact CE2-CG1 3.69Å; Y28-V57 HydrophobicContact CG-CB 4.34Å; Y28-V57 HydrophobicContact CG-CG1 3.72Å; Y28-N58 WeakPolarHBondContact CE2-OD1 3.2Å
29	A	95.9	Very high	87.1	Confident	27 Å²	27	125.9 Å²	125.9	22%	0.223	58%	0.579	C	S	.	*	H	α-helix	trans	-56.2	-40.7	-168.1	0	0	0	0	0	113.9	T27 Y31 Y33 M50	T27-A29 PolarHBondContact O-N 3.45Å; A29-Y31 VanDerWaalsContact C-N 3.34Å; A29-Y31 PolarHBondContact O-N 3.36Å; A29-Y33 WeakPolarHBondContact O-CB 3.49Å; A29-Y33 PolarHBondContact O-N 3.48Å; A29-M50 HydrophobicContact CB-CE 4.4Å; A29-M50 HydrophobicContact CB-CG 3.99Å; A29-M50 HydrophobicContact CB-SD 3.79Å
30	V	96.4	Very high	88.8	Confident	91 Å²	91	121.4 Å²	121.4	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-63.9	-40.7	178	177	0	0	0	0	111.3	Y28 K34	Y28-V30 VanDerWaalsContact C-N 3.31Å; Y28-V30 PolarHBondContact O-N 2.99Å; V30-K34 WeakPolarHBondContact O-CG 3.46Å; V30-K34 PolarHBondContact O-N 3.32Å
31	Y	97.8	Very high	90.5	Very high	148 Å²	148	113.8 Å²	113.8	58%	0.58	54%	0.543	S	S	*	.	H	α-helix	trans	-74.6	-41	-179	-52.9	-73.4	0	0	0	111.6	Y28 A29 Y33 K34 V35	Y28-Y31 HydrophobicContact CD1-CD2 4.18Å; Y28-Y31 PolarHBondContact O-N 2.96Å; A29-Y31 VanDerWaalsContact C-N 3.34Å; A29-Y31 PolarHBondContact O-N 3.36Å; Y31-Y33 VanDerWaalsContact C-N 3.28Å; Y31-Y33 PolarHBondContact O-N 3.25Å; Y31-K34 PolarHBondContact O-N 3.04Å; Y31-V35 WeakPolarHBondContact O-CG2 3.43Å; Y31-V35 PolarHBondContact O-N 3.29Å
32	I	98	Very high	92	Very high	21 Å²	21	111.6 Å²	111.6	11%	0.108	54%	0.541	C	S	.	.	H	α-helix	trans	-57.4	-45	173.5	-66.8	162.4	0	0	0	109.9	Y28 V35 L36 M50 M53 N54 V57	Y28-I32 WeakPolarHBondContact O-CG1 3.48Å; Y28-I32 PolarHBondContact O-N 3Å; I32-V35 PolarHBondContact O-N 3.34Å; I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 PolarHBondContact O-N 3.48Å; I32-M50 HydrophobicContact CB-CE 4.39Å; I32-M50 HydrophobicContact CB-SD 3.91Å; I32-M50 HydrophobicContact CD1-SD 4.07Å; I32-M50 HydrophobicContact CG2-CE 4.11Å; I32-M50 HydrophobicContact CG2-SD 3.75Å; I32-M53 HydrophobicContact CD1-CB 3.9Å; I32-M53 HydrophobicContact CG2-CB 4.08Å; I32-M53 HydrophobicContact CG2-CG 4.47Å; I32-N54 HydrophobicContact CD1-CB 4.31Å; I32-V57 HydrophobicContact CD1-CG2 4.37Å
33	Y	97.8	Very high	93.4	Very high	115 Å²	115	110.1 Å²	110.1	45%	0.451	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-40.6	177.4	-171.5	-101.9	0	0	0	112.9	A29 Y31 L36 K37 I45	A29-Y33 WeakPolarHBondContact O-CB 3.49Å; A29-Y33 PolarHBondContact O-N 3.48Å; Y31-Y33 VanDerWaalsContact C-N 3.28Å; Y31-Y33 PolarHBondContact O-N 3.25Å; Y33-L36 PolarHBondContact O-N 2.95Å; Y33-K37 HydrophobicContact CD1-CG 4.28Å; Y33-K37 HydrophobicContact CE1-CG 3.87Å; Y33-K37 HydrophobicContact CE2-CG 4.46Å; Y33-K37 VanDerWaalsContact CZ-CE 3.41Å; Y33-K37 WeakPolarHBondContact O-CG 3.49Å; Y33-K37 PolarHBondContact O-N 2.99Å; Y33-K37 WeakPolarHBondContact OH-CE 3.47Å; Y33-I45 HydrophobicContact CD2-CG2 4.37Å
34	K	98.3	Very high	94.7	Very high	122 Å²	122	103.5 Å²	103.5	53%	0.53	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-45.8	175.2	-76.7	177.1	178	-174.4	0	111.8	V30 Y31 K37 Q38	V30-K34 WeakPolarHBondContact O-CG 3.46Å; V30-K34 PolarHBondContact O-N 3.32Å; Y31-K34 PolarHBondContact O-N 3.04Å; K34-K37 PolarHBondContact O-N 3.44Å; K34-Q38 WeakPolarHBondContact O-CG 3.16Å; K34-Q38 PolarHBondContact O-N 3.4Å; K34-Q38 VanDerWaalsContact O-N 3.11Å
35	V	98.1	Very high	95.9	Very high	83 Å²	83	95.3 Å²	95.3	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-44.3	176.9	174.2	0	0	0	0	110.5	Y31 I32 K37 Q38 V39	Y31-V35 WeakPolarHBondContact O-CG2 3.43Å; Y31-V35 PolarHBondContact O-N 3.29Å; I32-V35 PolarHBondContact O-N 3.34Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.23Å; V35-Q38 WeakPolarHBondContact O-CB 3.38Å; V35-Q38 PolarHBondContact O-N 2.96Å; V35-V39 WeakPolarHBondContact O-CG2 3.32Å; V35-V39 PolarHBondContact O-N 3.33Å; V35-V39 VanDerWaalsContact O-N 3.11Å
36	L	98.3	Very high	96.9	Very high	32 Å²	32	89 Å²	89	17%	0.168	47%	0.47	C	S	.	.	H	α-helix	trans	-54.3	-46.1	176.1	176.7	63.2	0	0	0	111.7	I32 Y33 Q38 V39 H40 I45	I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 PolarHBondContact O-N 3.48Å; Y33-L36 PolarHBondContact O-N 2.95Å; L36-Q38 VanDerWaalsContact C-N 3.31Å; L36-Q38 PolarHBondContact O-N 3.4Å; L36-V39 WeakPolarHBondContact O-CG2 3.4Å; L36-V39 PolarHBondContact O-N 3.44Å; L36-H40 HydrophobicContact CD1-CB 4.33Å; L36-H40 CarbonylContact O-C 3.5Å; L36-H40 WeakPolarHBondContact O-CA 3.46Å; L36-H40 PolarHBondContact O-N 2.9Å; L36-I45 HydrophobicContact CD2-CB 3.75Å; L36-I45 HydrophobicContact CD2-CG2 3.73Å
37	K	98.3	Very high	97.6	Very high	61 Å²	61	85.6 Å²	85.6	27%	0.265	47%	0.466	S	S	.	.	H	α-helix	trans	-71.3	-24.1	179.6	-67.8	-54.4	-170.3	-177.1	0	114.1	Y33 K34 V35 P41 T43	Y33-K37 HydrophobicContact CD1-CG 4.28Å; Y33-K37 HydrophobicContact CE1-CG 3.87Å; Y33-K37 HydrophobicContact CE2-CG 4.46Å; Y33-K37 VanDerWaalsContact CZ-CE 3.41Å; Y33-K37 WeakPolarHBondContact O-CG 3.49Å; Y33-K37 PolarHBondContact O-N 2.99Å; Y33-K37 WeakPolarHBondContact OH-CE 3.47Å; K34-K37 PolarHBondContact O-N 3.44Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.23Å; K37-P41 VanDerWaalsContact CD-O 3.29Å; K37-P41 WeakPolarHBondContact CD-O 3.41Å; K37-P41 WeakPolarHBondContact CE-O 3.49Å; K37-P41 PolarHBondContact NZ-O 3.33Å; K37-T43 PolarHBondContact NZ-O 3.38Å
38	Q	98.2	Very high	97.7	Very high	158 Å²	158	92.1 Å²	92.1	74%	0.738	48%	0.484	S	S	*	.	H	α-helix	trans	-70.9	-35.5	171.5	-73.5	174.9	-11.6	0	0	112.1	K34 V35 L36	K34-Q38 WeakPolarHBondContact O-CG 3.16Å; K34-Q38 PolarHBondContact O-N 3.4Å; K34-Q38 VanDerWaalsContact O-N 3.11Å; V35-Q38 WeakPolarHBondContact O-CB 3.38Å; V35-Q38 PolarHBondContact O-N 2.96Å; L36-Q38 VanDerWaalsContact C-N 3.31Å; L36-Q38 PolarHBondContact O-N 3.4Å
39	V	98.3	Very high	97.8	Very high	92 Å²	92	89.7 Å²	89.7	56%	0.558	48%	0.481	S	S	*	.	H	α-helix	trans	-91.1	-34.5	-179.3	-64.6	0	0	0	0	113.4	V35 L36	V35-V39 WeakPolarHBondContact O-CG2 3.32Å; V35-V39 PolarHBondContact O-N 3.33Å; V35-V39 VanDerWaalsContact O-N 3.11Å; L36-V39 WeakPolarHBondContact O-CG2 3.4Å; L36-V39 PolarHBondContact O-N 3.44Å
40	H	98.1	Very high	97.9	Very high	104 Å²	104	89.9 Å²	89.9	48%	0.481	48%	0.478	S	S	.	.			trans	-143.5	83.7	-173.9	-63.9	64.7	0	0	0	110.3	L36 D42 T43	L36-H40 HydrophobicContact CD1-CB 4.33Å; L36-H40 CarbonylContact O-C 3.5Å; L36-H40 WeakPolarHBondContact O-CA 3.46Å; L36-H40 PolarHBondContact O-N 2.9Å; H40-D42 VanDerWaalsContact C-N 3.3Å; H40-D42 PolarHBondContact O-N 2.97Å; H40-T43 PolarHBondContact O-N 3.28Å
41	P	98.1	Very high	97.9	Very high	82 Å²	82	89 Å²	89	53%	0.532	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.1	-173.2	-26.7	35.5	0	0	0	114.8	K37	K37-P41 VanDerWaalsContact CD-O 3.29Å; K37-P41 WeakPolarHBondContact CD-O 3.41Å; K37-P41 WeakPolarHBondContact CE-O 3.49Å; K37-P41 PolarHBondContact NZ-O 3.33Å
42	D	97.9	Very high	98	Very high	162 Å²	162	87.3 Å²	87.3	87%	0.866	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.9	-173.8	-54.4	-47.8	0	0	0	113.5	H40	H40-D42 VanDerWaalsContact C-N 3.3Å; H40-D42 PolarHBondContact O-N 2.97Å
43	T	97.9	Very high	98	Very high	66 Å²	66	90 Å²	90	41%	0.405	49%	0.488	S	S	.	.			trans	-90.5	138.7	-178.1	-56.5	0	0	0	0	112	K37 H40	K37-T43 PolarHBondContact NZ-O 3.38Å; H40-T43 PolarHBondContact O-N 3.28Å
44	G	97.3	Very high	97.9	Very high	61 Å²	61	85.1 Å²	85.1	63%	0.629	47%	0.47	S	S	*	.			trans	-101.2	163.6	170.8	0	0	0	0	0	112.5
45	I	98.1	Very high	97.9	Very high	55 Å²	55	82.9 Å²	82.9	28%	0.282	47%	0.47	S	S	.	.			trans	-126.7	133.7	174.9	-173.5	171.5	0	0	0	109.9	Y33 L36 A49 M50 M53	Y33-I45 HydrophobicContact CD2-CG2 4.37Å; L36-I45 HydrophobicContact CD2-CB 3.75Å; L36-I45 HydrophobicContact CD2-CG2 3.73Å; I45-A49 HydrophobicContact CD1-CB 4.05Å; I45-A49 HydrophobicContact CG1-CB 3.6Å; I45-M50 HydrophobicContact CD1-CB 4.5Å; I45-M50 HydrophobicContact CD1-CE 4.5Å; I45-M50 HydrophobicContact CG2-CE 3.62Å; I45-M53 HydrophobicContact CD1-CG 4.1Å
46	S	98.4	Very high	97.9	Very high	71 Å²	71	84.5 Å²	84.5	50%	0.497	47%	0.471	S	S	.	.			trans	-72	159.2	178.1	72.2	0	0	0	0	111.8	R48 A49 M50	S46-R48 VanDerWaalsContact C-N 3.27Å; S46-R48 PolarHBondContact O-N 2.54Å; S46-A49 PolarHBondContact O-N 2.8Å; S46-A49 WeakPolarHBondContact OG-CB 3.24Å; S46-A49 PolarHBondContact OG-N 3.21Å; S46-M50 WeakPolarHBondContact O-CB 3.24Å; S46-M50 PolarHBondContact O-N 3.3Å
47	S	96.9	Very high	97.9	Very high	103 Å²	103	85.1 Å²	85.1	72%	0.72	48%	0.475	S	S	*	.	H	α-helix	trans	-61.2	-34.5	177.4	56.9	0	0	0	0	113.2	S51	S47-S51 PolarHBondContact O-N 3.19Å; S47-S51 PolarHBondContact O-OG 3.13Å
48	R	97.9	Very high	97.9	Very high	197 Å²	197	84.9 Å²	84.9	74%	0.743	48%	0.477	S	S	*	.	H	α-helix	trans	-67.1	-48.7	174.9	-170.5	-174.6	-62.6	158.3	0.6	110.9	S46 M50 S51 I52	S46-R48 VanDerWaalsContact C-N 3.27Å; S46-R48 PolarHBondContact O-N 2.54Å; R48-M50 VanDerWaalsContact C-N 3.32Å; R48-M50 PolarHBondContact O-N 3.03Å; R48-S51 WeakPolarHBondContact O-CB 3.31Å; R48-S51 PolarHBondContact O-N 2.98Å; R48-S51 VanDerWaalsContact O-N 3.15Å; R48-I52 WeakPolarHBondContact O-CG1 3.45Å; R48-I52 PolarHBondContact O-N 2.87Å; R48-I52 VanDerWaalsContact O-N 3.07Å
49	A	98.3	Very high	97.9	Very high	33 Å²	33	80.3 Å²	80.3	27%	0.273	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.8	0	0	0	0	0	111.7	I45 S46 S51 I52 M53	I45-A49 HydrophobicContact CD1-CB 4.05Å; I45-A49 HydrophobicContact CG1-CB 3.6Å; S46-A49 PolarHBondContact O-N 2.8Å; S46-A49 WeakPolarHBondContact OG-CB 3.24Å; S46-A49 PolarHBondContact OG-N 3.21Å; A49-S51 VanDerWaalsContact C-N 3.28Å; A49-S51 PolarHBondContact O-N 2.79Å; A49-I52 PolarHBondContact O-N 3.49Å; A49-M53 WeakPolarHBondContact O-CG 3.31Å; A49-M53 PolarHBondContact O-N 2.84Å
50	M	97.8	Very high	97.8	Very high	30 Å²	30	78 Å²	78	15%	0.148	44%	0.444	C	S	.	.	H	α-helix	trans	-59.1	-40.6	173.8	-177.2	59.6	78.6	0	0	111.9	A29 I32 I45 S46 R48 M53 N54	A29-M50 HydrophobicContact CB-CE 4.4Å; A29-M50 HydrophobicContact CB-CG 3.99Å; A29-M50 HydrophobicContact CB-SD 3.79Å; I32-M50 HydrophobicContact CB-CE 4.39Å; I32-M50 HydrophobicContact CB-SD 3.91Å; I32-M50 HydrophobicContact CD1-SD 4.07Å; I32-M50 HydrophobicContact CG2-CE 4.11Å; I32-M50 HydrophobicContact CG2-SD 3.75Å; I45-M50 HydrophobicContact CD1-CB 4.5Å; I45-M50 HydrophobicContact CD1-CE 4.5Å; I45-M50 HydrophobicContact CG2-CE 3.62Å; S46-M50 WeakPolarHBondContact O-CB 3.24Å; S46-M50 PolarHBondContact O-N 3.3Å; R48-M50 VanDerWaalsContact C-N 3.32Å; R48-M50 PolarHBondContact O-N 3.03Å; M50-M53 PolarHBondContact O-N 3.47Å; M50-N54 WeakPolarHBondContact O-CB 3.41Å; M50-N54 PolarHBondContact O-N 3.24Å
51	S	97.1	Very high	97.8	Very high	74 Å²	74	78.9 Å²	78.9	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-40.2	177.9	-59.4	0	0	0	0	111.8	S47 R48 A49 N54 S55	S47-S51 PolarHBondContact O-N 3.19Å; S47-S51 PolarHBondContact O-OG 3.13Å; R48-S51 WeakPolarHBondContact O-CB 3.31Å; R48-S51 PolarHBondContact O-N 2.98Å; R48-S51 VanDerWaalsContact O-N 3.15Å; A49-S51 VanDerWaalsContact C-N 3.28Å; A49-S51 PolarHBondContact O-N 2.79Å; S51-N54 PolarHBondContact O-N 3.03Å; S51-S55 PolarHBondContact O-N 2.93Å; S51-S55 PolarHBondContact O-OG 3.34Å
52	I	98.2	Very high	97.8	Very high	111 Å²	111	80.7 Å²	80.7	57%	0.569	45%	0.448	S	S	*	.	H	α-helix	trans	-61.4	-48.2	174	-65.6	166.6	0	0	0	110.3	R48 A49 N54 S55 F56	R48-I52 WeakPolarHBondContact O-CG1 3.45Å; R48-I52 PolarHBondContact O-N 2.87Å; R48-I52 VanDerWaalsContact O-N 3.07Å; A49-I52 PolarHBondContact O-N 3.49Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.4Å; I52-S55 PolarHBondContact O-N 2.87Å; I52-F56 PolarHBondContact O-N 3.46Å
53	M	98.4	Very high	97.8	Very high	77 Å²	77	79.6 Å²	79.6	38%	0.379	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-39.8	179	-69.6	-57.8	-64.7	0	0	112.4	I32 I45 A49 M50 F56 V57	I32-M53 HydrophobicContact CD1-CB 3.9Å; I32-M53 HydrophobicContact CG2-CB 4.08Å; I32-M53 HydrophobicContact CG2-CG 4.47Å; I45-M53 HydrophobicContact CD1-CG 4.1Å; A49-M53 WeakPolarHBondContact O-CG 3.31Å; A49-M53 PolarHBondContact O-N 2.84Å; M50-M53 PolarHBondContact O-N 3.47Å; M53-F56 HydrophobicContact CE-CD1 4.5Å; M53-F56 WeakPolarHBondContact O-CB 3.27Å; M53-F56 PolarHBondContact O-N 2.9Å; M53-V57 WeakPolarHBondContact O-CG2 3.47Å; M53-V57 PolarHBondContact O-N 3.26Å
54	N	97.1	Very high	97.9	Very high	14 Å²	14	78 Å²	78	8%	0.075	42%	0.42	C	S	.	.	H	α-helix	trans	-62.8	-43.1	175.5	-178.4	86	0	0	0	111.8	T27 Y28 I32 M50 S51 I52 F56 V57 N58	T27-N54 WeakPolarHBondContact CA-OD1 3.32Å; T27-N54 WeakPolarHBondContact CB-OD1 3.32Å; Y28-N54 PolarHBondContact N-OD1 3.17Å; I32-N54 HydrophobicContact CD1-CB 4.31Å; M50-N54 WeakPolarHBondContact O-CB 3.41Å; M50-N54 PolarHBondContact O-N 3.24Å; S51-N54 PolarHBondContact O-N 3.03Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.4Å; N54-F56 VanDerWaalsContact C-N 3.35Å; N54-V57 PolarHBondContact O-N 2.93Å; N54-N58 PolarHBondContact ND2-ND2 3.33Å; N54-N58 PolarHBondContact O-N 3.36Å; N54-N58 PolarHBondContact O-ND2 3.33Å
55	S	97.9	Very high	97.9	Very high	74 Å²	74	77 Å²	77	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-64.8	-39.2	174.9	-63.8	0	0	0	0	112.1	S51 I52 V57 N58 D59	S51-S55 PolarHBondContact O-N 2.93Å; S51-S55 PolarHBondContact O-OG 3.34Å; I52-S55 PolarHBondContact O-N 2.87Å; S55-V57 PolarHBondContact O-N 2.92Å; S55-N58 PolarHBondContact O-N 3.5Å; S55-D59 PolarHBondContact O-N 3.09Å
56	F	98.2	Very high	97.9	Very high	118 Å²	118	77.5 Å²	77.5	52%	0.518	41%	0.411	S	S	.	.	H	α-helix	trans	-59	-45.6	175.3	173.3	-106.6	0	0	0	112	I52 M53 N54 N58 D59 V60	I52-F56 PolarHBondContact O-N 3.46Å; M53-F56 HydrophobicContact CE-CD1 4.5Å; M53-F56 WeakPolarHBondContact O-CB 3.27Å; M53-F56 PolarHBondContact O-N 2.9Å; N54-F56 VanDerWaalsContact C-N 3.35Å; F56-N58 VanDerWaalsContact C-N 3.32Å; F56-N58 PolarHBondContact O-N 3Å; F56-D59 PolarHBondContact O-N 2.78Å; F56-V60 HydrophobicContact CD2-CG2 4.2Å; F56-V60 HydrophobicContact CE1-CG2 4.31Å; F56-V60 HydrophobicContact CE2-CG2 3.74Å; F56-V60 HydrophobicContact CZ-CG2 3.81Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 3.45Å
57	V	97.9	Very high	98	Very high	44 Å²	44	75.7 Å²	75.7	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-42.1	176.9	174.5	0	0	0	0	111.4	Y28 I32 M53 N54 S55 F61	Y28-V57 HydrophobicContact CD1-CG1 4.03Å; Y28-V57 HydrophobicContact CD2-CB 4.05Å; Y28-V57 HydrophobicContact CD2-CG1 3.54Å; Y28-V57 HydrophobicContact CE1-CG1 4.16Å; Y28-V57 HydrophobicContact CE2-CG1 3.69Å; Y28-V57 HydrophobicContact CG-CB 4.34Å; Y28-V57 HydrophobicContact CG-CG1 3.72Å; I32-V57 HydrophobicContact CD1-CG2 4.37Å; M53-V57 WeakPolarHBondContact O-CG2 3.47Å; M53-V57 PolarHBondContact O-N 3.26Å; N54-V57 PolarHBondContact O-N 2.93Å; S55-V57 PolarHBondContact O-N 2.92Å; V57-F61 VanDerWaalsContact O-CB 3.28Å; V57-F61 WeakPolarHBondContact O-CB 3.5Å; V57-F61 PolarHBondContact O-N 3.15Å
58	N	97.3	Very high	98	Very high	56 Å²	56	70.9 Å²	70.9	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-46.2	176.8	-75.2	-38.9	0	0	0	112.4	Y28 N54 S55 F56 V60 F61 E62	Y28-N58 WeakPolarHBondContact CE2-OD1 3.2Å; N54-N58 PolarHBondContact ND2-ND2 3.33Å; N54-N58 PolarHBondContact O-N 3.36Å; N54-N58 PolarHBondContact O-ND2 3.33Å; S55-N58 PolarHBondContact O-N 3.5Å; F56-N58 VanDerWaalsContact C-N 3.32Å; F56-N58 PolarHBondContact O-N 3Å; N58-V60 PolarHBondContact O-N 3.48Å; N58-F61 WeakPolarHBondContact O-CB 3.35Å; N58-F61 PolarHBondContact O-N 3.02Å; N58-E62 WeakPolarHBondContact O-CB 3.43Å; N58-E62 WeakPolarHBondContact O-CG 3.46Å; N58-E62 PolarHBondContact O-N 3.33Å
59	D	97.9	Very high	98.1	Very high	63 Å²	63	63.6 Å²	63.6	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-45.6	179.2	-180	36.2	0	0	0	111.2	S55 F56 F61 E62 R63	S55-D59 PolarHBondContact O-N 3.09Å; F56-D59 PolarHBondContact O-N 2.78Å; D59-F61 PolarHBondContact O-N 2.91Å; D59-E62 PolarHBondContact O-N 2.97Å; D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 VanDerWaalsContact O-CG 3.23Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.03Å; D59-R63 IonicContact OD1-CZ 3.99Å; D59-R63 IonicContact OD1-NE 3.28Å; D59-R63 PolarHBondContact OD1-NE 2.86Å; D59-R63 IonicContact OD1-NH2 2.78Å; D59-R63 PolarHBondContact OD1-NH2 2.98Å; D59-R63 IonicContact OD2-CZ 3.48Å; D59-R63 VanDerWaalsContact OD2-CZ 3.28Å; D59-R63 IonicContact OD2-NE 2.84Å; D59-R63 PolarHBondContact OD2-NE 2.75Å; D59-R63 IonicContact OD2-NH2 3.3Å; D59-R63 PolarHBondContact OD2-NH2 3.42Å
60	V	97.9	Very high	98.1	Very high	44 Å²	44	67.6 Å²	67.6	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.5	174.8	0	0	0	0	111.5	F56 N58 R63 I64	F56-V60 HydrophobicContact CD2-CG2 4.2Å; F56-V60 HydrophobicContact CE1-CG2 4.31Å; F56-V60 HydrophobicContact CE2-CG2 3.74Å; F56-V60 HydrophobicContact CZ-CG2 3.81Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 3.45Å; N58-V60 PolarHBondContact O-N 3.48Å; V60-R63 PolarHBondContact O-N 3.44Å; V60-I64 HydrophobicContact CG1-CD1 3.72Å; V60-I64 HydrophobicContact CG1-CG1 4.42Å; V60-I64 WeakPolarHBondContact O-CG1 3.29Å; V60-I64 PolarHBondContact O-N 3.47Å
61	F	97.8	Very high	98.1	Very high	122 Å²	122	67.4 Å²	67.4	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-49.6	176.9	172.9	-94.2	0	0	0	111.7	V57 N58 D59 R63 I64 A65	V57-F61 VanDerWaalsContact O-CB 3.28Å; V57-F61 WeakPolarHBondContact O-CB 3.5Å; V57-F61 PolarHBondContact O-N 3.15Å; N58-F61 WeakPolarHBondContact O-CB 3.35Å; N58-F61 PolarHBondContact O-N 3.02Å; D59-F61 PolarHBondContact O-N 2.91Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 3.44Å; F61-I64 PolarHBondContact O-N 3.33Å; F61-A65 HydrophobicContact CE1-CB 4.49Å; F61-A65 VanDerWaalsContact O-CB 3.27Å; F61-A65 WeakPolarHBondContact O-CB 3.23Å; F61-A65 PolarHBondContact O-N 3.44Å
62	E	98.1	Very high	98.1	Very high	119 Å²	119	64.2 Å²	64.2	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-61.7	-42.2	-179.9	-75.2	176.8	-170.1	0	0	111.5	N58 D59 T66	N58-E62 WeakPolarHBondContact O-CB 3.43Å; N58-E62 WeakPolarHBondContact O-CG 3.46Å; N58-E62 PolarHBondContact O-N 3.33Å; D59-E62 PolarHBondContact O-N 2.97Å; E62-T66 WeakPolarHBondContact O-CB 3.48Å; E62-T66 PolarHBondContact O-N 3.09Å; E62-T66 PolarHBondContact O-OG1 3.02Å
63	R	98.4	Very high	98.1	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-49.6	176.1	-71.4	174.7	-167.9	-152.1	8.2	111.8	D59 V60 F61 T66 E67 L92	D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 VanDerWaalsContact O-CG 3.23Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.03Å; D59-R63 IonicContact OD1-CZ 3.99Å; D59-R63 IonicContact OD1-NE 3.28Å; D59-R63 PolarHBondContact OD1-NE 2.86Å; D59-R63 IonicContact OD1-NH2 2.78Å; D59-R63 PolarHBondContact OD1-NH2 2.98Å; D59-R63 IonicContact OD2-CZ 3.48Å; D59-R63 VanDerWaalsContact OD2-CZ 3.28Å; D59-R63 IonicContact OD2-NE 2.84Å; D59-R63 PolarHBondContact OD2-NE 2.75Å; D59-R63 IonicContact OD2-NH2 3.3Å; D59-R63 PolarHBondContact OD2-NH2 3.42Å; V60-R63 PolarHBondContact O-N 3.44Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 3.44Å; R63-T66 PolarHBondContact O-N 2.71Å; R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 PolarHBondContact O-N 2.87Å; R63-L92 VanDerWaalsContact C-CD1 3.48Å; R63-L92 HydrophobicContact CB-CD1 3.99Å; R63-L92 HydrophobicContact CB-CD2 4.28Å; R63-L92 WeakPolarHBondContact O-CD1 3.45Å
64	I	98.5	Very high	98	Very high	34 Å²	34	69.6 Å²	69.6	17%	0.174	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-46.7	179.7	-67	168.4	0	0	0	110.8	V60 F61 T66 E67 A68 V85 A88 V89 L92	V60-I64 HydrophobicContact CG1-CD1 3.72Å; V60-I64 HydrophobicContact CG1-CG1 4.42Å; V60-I64 WeakPolarHBondContact O-CG1 3.29Å; V60-I64 PolarHBondContact O-N 3.47Å; F61-I64 PolarHBondContact O-N 3.33Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 3.43Å; I64-E67 PolarHBondContact O-N 2.93Å; I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.23Å; I64-A68 PolarHBondContact O-N 2.93Å; I64-V85 HydrophobicContact CG2-CG1 4.08Å; I64-A88 HydrophobicContact CG2-CB 4.29Å; I64-V89 HydrophobicContact CD1-CG2 3.96Å; I64-V89 HydrophobicContact CG1-CG2 4.31Å; I64-V89 HydrophobicContact CG2-CG2 4.32Å; I64-L92 HydrophobicContact CB-CD1 4.23Å; I64-L92 HydrophobicContact CG1-CD1 3.7Å
65	A	98.4	Very high	97.9	Very high	38 Å²	38	73.5 Å²	73.5	31%	0.314	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-42.7	-179.4	0	0	0	0	0	111.7	F61 S69	F61-A65 HydrophobicContact CE1-CB 4.49Å; F61-A65 VanDerWaalsContact O-CB 3.27Å; F61-A65 WeakPolarHBondContact O-CB 3.23Å; F61-A65 PolarHBondContact O-N 3.44Å; A65-S69 VanDerWaalsContact O-CB 3.29Å; A65-S69 WeakPolarHBondContact O-CB 3.5Å; A65-S69 PolarHBondContact O-N 3.35Å
66	T	98.5	Very high	97.9	Very high	66 Å²	66	79.4 Å²	79.4	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-47.5	177.2	-60.8	0	0	0	0	111	E62 R63 I64 S69 R70	E62-T66 WeakPolarHBondContact O-CB 3.48Å; E62-T66 PolarHBondContact O-N 3.09Å; E62-T66 PolarHBondContact O-OG1 3.02Å; R63-T66 PolarHBondContact O-N 2.71Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 3.43Å; T66-S69 WeakPolarHBondContact O-CB 3.46Å; T66-S69 PolarHBondContact O-N 2.78Å; T66-R70 WeakPolarHBondContact O-CG 3.34Å; T66-R70 PolarHBondContact O-N 3Å
67	E	98.5	Very high	97.8	Very high	34 Å²	34	80.2 Å²	80.2	16%	0.159	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-39.8	-178.7	-167.2	58	-154.9	0	0	112.3	R63 I64 S69 R70 L71 A88 L91 L92	R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 PolarHBondContact O-N 2.87Å; I64-E67 PolarHBondContact O-N 2.93Å; E67-S69 VanDerWaalsContact C-N 3.29Å; E67-S69 PolarHBondContact O-N 3.15Å; E67-R70 PolarHBondContact O-N 3.09Å; E67-R70 IonicContact OE2-CZ 2.75Å; E67-R70 IonicContact OE2-NH1 2.98Å; E67-R70 PolarHBondContact OE2-NH1 3.34Å; E67-L71 WeakPolarHBondContact O-CG 3.21Å; E67-L71 PolarHBondContact O-N 3.23Å; E67-A88 HydrophobicContact CB-CB 3.89Å; E67-A88 HydrophobicContact CG-CB 4.04Å; E67-L91 HydrophobicContact CG-CD1 4.08Å; E67-L92 HydrophobicContact CB-CD1 4.14Å
68	A	98.6	Very high	97.7	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.008	41%	0.408	C	S	.	.	H	α-helix	trans	-62.9	-36.3	173.8	0	0	0	0	0	112.3	I64 L71 T72 I80 E84 V85 A88	I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.23Å; I64-A68 PolarHBondContact O-N 2.93Å; A68-L71 PolarHBondContact O-N 3.23Å; A68-T72 WeakPolarHBondContact O-CB 3.27Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.94Å; A68-I80 HydrophobicContact CB-CG2 4.02Å; A68-E84 HydrophobicContact CB-CB 4.27Å; A68-V85 HydrophobicContact CB-CG2 4.42Å; A68-A88 HydrophobicContact CB-CB 4.08Å
69	S	98.4	Very high	97.7	Very high	44 Å²	44	86.2 Å²	86.2	31%	0.308	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-46.9	173.6	-175.9	0	0	0	0	111.4	A65 T66 E67 L71 T72 Q73	A65-S69 VanDerWaalsContact O-CB 3.29Å; A65-S69 WeakPolarHBondContact O-CB 3.5Å; A65-S69 PolarHBondContact O-N 3.35Å; T66-S69 WeakPolarHBondContact O-CB 3.46Å; T66-S69 PolarHBondContact O-N 2.78Å; E67-S69 VanDerWaalsContact C-N 3.29Å; E67-S69 PolarHBondContact O-N 3.15Å; S69-L71 PolarHBondContact O-N 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.31Å; S69-T72 PolarHBondContact O-N 3.17Å; S69-Q73 WeakPolarHBondContact O-CG 3.46Å; S69-Q73 PolarHBondContact O-N 3.43Å
70	R	98.3	Very high	97.7	Very high	117 Å²	117	87.1 Å²	87.1	44%	0.442	43%	0.426	S	S	.	.	H	α-helix	trans	-58.6	-46.9	175.1	-70.7	176.7	-175.7	148.8	-2.8	112.2	T66 E67 T72 Q73 Y74	T66-R70 WeakPolarHBondContact O-CG 3.34Å; T66-R70 PolarHBondContact O-N 3Å; E67-R70 PolarHBondContact O-N 3.09Å; E67-R70 IonicContact OE2-CZ 2.75Å; E67-R70 IonicContact OE2-NH1 2.98Å; E67-R70 PolarHBondContact OE2-NH1 3.34Å; R70-T72 VanDerWaalsContact C-N 3.27Å; R70-T72 PolarHBondContact O-N 3.24Å; R70-Q73 PolarHBondContact O-N 3.48Å; R70-Y74 HydrophobicContact CB-CD2 4.49Å; R70-Y74 HydrophobicContact CB-CE2 4.05Å; R70-Y74 WeakPolarHBondContact O-CD2 3.44Å; R70-Y74 PolarHBondContact O-N 3.01Å
71	L	98.1	Very high	97.7	Very high	26 Å²	26	87.5 Å²	87.5	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-59	-39.4	176.9	-71.4	170	0	0	0	112.3	E67 A68 S69 N75 E84 T87 A88 L91	E67-L71 WeakPolarHBondContact O-CG 3.21Å; E67-L71 PolarHBondContact O-N 3.23Å; A68-L71 PolarHBondContact O-N 3.23Å; S69-L71 PolarHBondContact O-N 3.3Å; L71-N75 WeakPolarHBondContact O-CB 3.39Å; L71-N75 PolarHBondContact O-N 2.88Å; L71-N75 PolarHBondContact O-ND2 3.49Å; L71-E84 HydrophobicContact CB-CB 4.35Å; L71-E84 HydrophobicContact CB-CG 4.12Å; L71-T87 HydrophobicContact CD1-CG2 3.74Å; L71-T87 HydrophobicContact CD2-CG2 4.3Å; L71-A88 HydrophobicContact CD1-CB 4.21Å; L71-L91 HydrophobicContact CD1-CD1 4.28Å; L71-L91 HydrophobicContact CD2-CD1 4.29Å
72	T	98.1	Very high	97.7	Very high	8 Å²	8	85.2 Å²	85.2	5%	0.049	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-43.1	177.1	-58.3	0	0	0	0	111.2	A68 S69 R70 N75 K76 R77 I80 E84	A68-T72 WeakPolarHBondContact O-CB 3.27Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.94Å; S69-T72 WeakPolarHBondContact O-CB 3.31Å; S69-T72 PolarHBondContact O-N 3.17Å; R70-T72 VanDerWaalsContact C-N 3.27Å; R70-T72 PolarHBondContact O-N 3.24Å; T72-N75 PolarHBondContact O-N 3.22Å; T72-K76 PolarHBondContact O-N 3.43Å; T72-R77 HydrophobicContact CG2-CB 3.93Å; T72-R77 WeakPolarHBondContact CG2-O 3.38Å; T72-R77 PolarHBondContact O-N 2.76Å; T72-I80 HydrophobicContact CG2-CG1 4.3Å; T72-I80 WeakPolarHBondContact OG1-CG1 3.43Å; T72-E84 WeakPolarHBondContact OG1-CG 3.48Å
73	Q	97.6	Very high	97.6	Very high	131 Å²	131	87.6 Å²	87.6	61%	0.612	43%	0.432	S	S	*	.	H	α-helix	trans	-65.6	-43.7	177	-69.4	175.3	5	0	0	112.4	S69 R70 N75 K76	S69-Q73 WeakPolarHBondContact O-CG 3.46Å; S69-Q73 PolarHBondContact O-N 3.43Å; R70-Q73 PolarHBondContact O-N 3.48Å; Q73-N75 PolarHBondContact O-N 2.91Å; Q73-K76 PolarHBondContact O-N 3.09Å
74	Y	96.6	Very high	97.6	Very high	170 Å²	170	81.2 Å²	81.2	67%	0.667	41%	0.408	S	S	*	.	H	α-helix	trans	-59.4	-37.3	176.1	-68.6	-41.6	0	0	0	112.3	R70 K76	R70-Y74 HydrophobicContact CB-CD2 4.49Å; R70-Y74 HydrophobicContact CB-CE2 4.05Å; R70-Y74 WeakPolarHBondContact O-CD2 3.44Å; R70-Y74 PolarHBondContact O-N 3.01Å; Y74-K76 PolarHBondContact O-N 3.35Å
75	N	95.3	Very high	97.6	Very high	95 Å²	95	82.6 Å²	82.6	51%	0.508	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5.1	177.2	-68	-39.7	0	0	0	113.7	L71 T72 Q73 R77	L71-N75 WeakPolarHBondContact O-CB 3.39Å; L71-N75 PolarHBondContact O-N 2.88Å; L71-N75 PolarHBondContact O-ND2 3.49Å; T72-N75 PolarHBondContact O-N 3.22Å; Q73-N75 PolarHBondContact O-N 2.91Å; N75-R77 HydrophobicContact CB-CG 4.32Å; N75-R77 PolarHBondContact O-N 3.23Å
76	K	96.9	Very high	97.6	Very high	198 Å²	198	83.8 Å²	83.8	86%	0.861	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.3	-177.7	-56.4	-179.7	-178.1	178.9	0	113	T72 Q73 Y74	T72-K76 PolarHBondContact O-N 3.43Å; Q73-K76 PolarHBondContact O-N 3.09Å; Y74-K76 PolarHBondContact O-N 3.35Å
77	R	96.6	Very high	97.5	Very high	136 Å²	136	83 Å²	83	51%	0.513	41%	0.412	S	S	.	.			trans	-103.3	159.9	176	-67.8	-176.9	175.6	-163.6	-7.3	110	T72 N75	T72-R77 HydrophobicContact CG2-CB 3.93Å; T72-R77 WeakPolarHBondContact CG2-O 3.38Å; T72-R77 PolarHBondContact O-N 2.76Å; N75-R77 HydrophobicContact CB-CG 4.32Å; N75-R77 PolarHBondContact O-N 3.23Å
78	S	96.1	Very high	97.5	Very high	127 Å²	127	81.4 Å²	81.4	89%	0.888	41%	0.405	S	S	*	.	S	Bend	trans	-107.1	-4.4	177	-52.1	0	0	0	0	113.3
79	T	97.7	Very high	97.5	Very high	98 Å²	98	82.1 Å²	82.1	60%	0.601	41%	0.409	S	S	*	.	S	Bend	trans	-126.2	124	-174	-51.7	0	0	0	0	109.8
80	I	97.9	Very high	97.5	Very high	82 Å²	82	87 Å²	87	42%	0.421	42%	0.421	S	S	.	.			trans	-76.5	122.2	170.3	-58	176.4	0	0	0	107.8	A68 T72 E84 V85	A68-I80 HydrophobicContact CB-CG2 4.02Å; T72-I80 HydrophobicContact CG2-CG1 4.3Å; T72-I80 WeakPolarHBondContact OG1-CG1 3.43Å; I80-E84 HydrophobicContact CG2-CB 4.23Å; I80-V85 HydrophobicContact CG2-CG2 3.99Å
81	T	97.5	Very high	97.5	Very high	52 Å²	52	86.5 Å²	86.5	32%	0.319	43%	0.426	S	S	.	.			trans	-105.8	173.8	175.9	79.5	0	0	0	0	111	R83 E84 V85	T81-R83 PolarHBondContact O-N 3.4Å; T81-R83 VanDerWaalsContact O-N 3.13Å; T81-R83 WeakPolarHBondContact OG1-CB 3.44Å; T81-R83 PolarHBondContact OG1-N 3.18Å; T81-E84 VanDerWaalsContact CA-OE2 3.31Å; T81-E84 WeakPolarHBondContact CA-OE2 3.28Å; T81-E84 VanDerWaalsContact CB-OE2 3.24Å; T81-E84 WeakPolarHBondContact CB-OE2 3.5Å; T81-E84 PolarHBondContact N-OE2 3.48Å; T81-E84 PolarHBondContact O-N 2.95Å; T81-E84 PolarHBondContact OG1-OE2 3.39Å; T81-V85 PolarHBondContact O-N 3.23Å
82	S	96.9	Very high	97.5	Very high	75 Å²	75	88.5 Å²	88.5	52%	0.524	44%	0.436	S	S	.	.	H	α-helix	trans	-56.8	-25.3	172.2	53.4	0	0	0	0	112.8	Q86	S82-Q86 VanDerWaalsContact O-CB 3.24Å; S82-Q86 WeakPolarHBondContact O-CB 3.5Å; S82-Q86 PolarHBondContact O-N 3.42Å
83	R	96.9	Very high	97.4	Very high	169 Å²	169	90.6 Å²	90.6	64%	0.638	45%	0.447	S	S	*	.	H	α-helix	trans	-68.5	-44.4	177.4	-172.7	179.4	-179.8	-177.7	-0.8	112.4	T81 Q86 T87	T81-R83 PolarHBondContact O-N 3.4Å; T81-R83 VanDerWaalsContact O-N 3.13Å; T81-R83 WeakPolarHBondContact OG1-CB 3.44Å; T81-R83 PolarHBondContact OG1-N 3.18Å; R83-Q86 PolarHBondContact O-N 2.99Å; R83-T87 WeakPolarHBondContact O-CB 3.45Å; R83-T87 PolarHBondContact O-N 3.37Å; R83-T87 PolarHBondContact O-OG1 3.43Å
84	E	98	Very high	97.4	Very high	5 Å²	5	88.6 Å²	88.6	2%	0.023	45%	0.445	C	S	.	.	H	α-helix	trans	-67.7	-39.7	177.5	-70.4	79.1	-159.4	0	0	110.8	A68 L71 T72 I80 T81 T87 A88	A68-E84 HydrophobicContact CB-CB 4.27Å; L71-E84 HydrophobicContact CB-CB 4.35Å; L71-E84 HydrophobicContact CB-CG 4.12Å; T72-E84 WeakPolarHBondContact OG1-CG 3.48Å; I80-E84 HydrophobicContact CG2-CB 4.23Å; T81-E84 VanDerWaalsContact CA-OE2 3.31Å; T81-E84 WeakPolarHBondContact CA-OE2 3.28Å; T81-E84 VanDerWaalsContact CB-OE2 3.24Å; T81-E84 WeakPolarHBondContact CB-OE2 3.5Å; T81-E84 PolarHBondContact N-OE2 3.48Å; T81-E84 PolarHBondContact O-N 2.95Å; T81-E84 PolarHBondContact OG1-OE2 3.39Å; E84-T87 PolarHBondContact O-N 3.21Å; E84-A88 VanDerWaalsContact O-CB 3.32Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 3.38Å
85	V	98.4	Very high	97.3	Very high	62 Å²	62	83.1 Å²	83.1	38%	0.376	44%	0.441	S	S	.	.	H	α-helix	trans	-61.2	-47.1	173.8	178.9	0	0	0	0	111.1	I64 A68 I80 T81 T87 A88 V89	I64-V85 HydrophobicContact CG2-CG1 4.08Å; A68-V85 HydrophobicContact CB-CG2 4.42Å; I80-V85 HydrophobicContact CG2-CG2 3.99Å; T81-V85 PolarHBondContact O-N 3.23Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 2.92Å; V85-A88 PolarHBondContact O-N 2.93Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 3.06Å
86	Q	98.1	Very high	97.4	Very high	63 Å²	63	83.8 Å²	83.8	29%	0.294	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-40.2	178.2	-177.9	179.8	-13.5	0	0	112.3	S82 R83 R90 V102	S82-Q86 VanDerWaalsContact O-CB 3.24Å; S82-Q86 WeakPolarHBondContact O-CB 3.5Å; S82-Q86 PolarHBondContact O-N 3.42Å; R83-Q86 PolarHBondContact O-N 2.99Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.07Å; Q86-V102 HydrophobicContact CG-CG1 3.88Å; Q86-V102 HydrophobicContact CG-CG2 4.03Å
87	T	98	Very high	97.4	Very high	50 Å²	50	79.5 Å²	79.5	31%	0.307	43%	0.427	S	S	.	.	H	α-helix	trans	-69.5	-43.6	178.5	-54.7	0	0	0	0	110.8	L71 R83 E84 V85 V89 R90 L91	L71-T87 HydrophobicContact CD1-CG2 3.74Å; L71-T87 HydrophobicContact CD2-CG2 4.3Å; R83-T87 WeakPolarHBondContact O-CB 3.45Å; R83-T87 PolarHBondContact O-N 3.37Å; R83-T87 PolarHBondContact O-OG1 3.43Å; E84-T87 PolarHBondContact O-N 3.21Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 2.92Å; T87-V89 VanDerWaalsContact C-N 3.31Å; T87-V89 PolarHBondContact O-N 2.91Å; T87-R90 WeakPolarHBondContact O-CB 3.38Å; T87-R90 PolarHBondContact O-N 3.42Å; T87-R90 VanDerWaalsContact O-N 3.09Å; T87-L91 HydrophobicContact CG2-CD1 4.41Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.21Å
88	A	98.4	Very high	97.5	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-56.4	-43.8	173.9	0	0	0	0	0	112.1	I64 E67 A68 L71 E84 V85 R90 L91 L92	I64-A88 HydrophobicContact CG2-CB 4.29Å; E67-A88 HydrophobicContact CB-CB 3.89Å; E67-A88 HydrophobicContact CG-CB 4.04Å; A68-A88 HydrophobicContact CB-CB 4.08Å; L71-A88 HydrophobicContact CD1-CB 4.21Å; E84-A88 VanDerWaalsContact O-CB 3.32Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 3.38Å; V85-A88 PolarHBondContact O-N 2.93Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.25Å; A88-L91 PolarHBondContact O-N 3.07Å; A88-L91 VanDerWaalsContact O-N 3.16Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.42Å
89	V	98.4	Very high	97.5	Very high	16 Å²	16	73.7 Å²	73.7	10%	0.097	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-41.6	175.7	169	0	0	0	0	111.8	I64 V85 T87 L91 L92 L93 A101 V102	I64-V89 HydrophobicContact CD1-CG2 3.96Å; I64-V89 HydrophobicContact CG1-CG2 4.31Å; I64-V89 HydrophobicContact CG2-CG2 4.32Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 3.06Å; T87-V89 VanDerWaalsContact C-N 3.31Å; T87-V89 PolarHBondContact O-N 2.91Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L92 PolarHBondContact O-N 3.28Å; V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 PolarHBondContact O-N 3.15Å; V89-A101 HydrophobicContact CG1-CB 3.68Å; V89-V102 HydrophobicContact CG1-CG2 4.13Å
90	R	97.6	Very high	97.6	Very high	147 Å²	147	74.7 Å²	74.7	56%	0.555	39%	0.389	S	S	*	.	H	α-helix	trans	-68.4	-30.9	177.4	-70.7	177.2	177.4	176.1	-1.5	113.4	Q86 T87 A88 V102	Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.07Å; T87-R90 WeakPolarHBondContact O-CB 3.38Å; T87-R90 PolarHBondContact O-N 3.42Å; T87-R90 VanDerWaalsContact O-N 3.09Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.25Å; R90-V102 HydrophobicContact CG-CG2 3.77Å
91	L	97.8	Very high	97.6	Very high	107 Å²	107	72.7 Å²	72.7	56%	0.56	38%	0.384	S	S	*	.	H	α-helix	trans	-75.8	-34.3	176.9	-68.4	173.2	0	0	0	112	E67 L71 T87 A88 V89	E67-L91 HydrophobicContact CG-CD1 4.08Å; L71-L91 HydrophobicContact CD1-CD1 4.28Å; L71-L91 HydrophobicContact CD2-CD1 4.29Å; T87-L91 HydrophobicContact CG2-CD1 4.41Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.21Å; A88-L91 PolarHBondContact O-N 3.07Å; A88-L91 VanDerWaalsContact O-N 3.16Å; V89-L91 VanDerWaalsContact C-N 3.34Å
92	L	97.9	Very high	97.6	Very high	67 Å²	67	71 Å²	71	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-89.7	-33	-173.8	-69	167.4	0	0	0	114.1	R63 I64 E67 A88 V89	R63-L92 VanDerWaalsContact C-CD1 3.48Å; R63-L92 HydrophobicContact CB-CD1 3.99Å; R63-L92 HydrophobicContact CB-CD2 4.28Å; R63-L92 WeakPolarHBondContact O-CD1 3.45Å; I64-L92 HydrophobicContact CB-CD1 4.23Å; I64-L92 HydrophobicContact CG1-CD1 3.7Å; E67-L92 HydrophobicContact CB-CD1 4.14Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.42Å; V89-L92 PolarHBondContact O-N 3.28Å
93	L	97.1	Very high	97.6	Very high	52 Å²	52	70 Å²	70	27%	0.272	37%	0.367	S	S	.	.	S	Bend	trans	-101.2	140.4	-175.5	-58.5	-174.5	0	0	0	111.7	V89 L97 A98 A101	V89-L93 HydrophobicContact CG1-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 PolarHBondContact O-N 3.15Å; L93-L97 HydrophobicContact CB-CB 4.33Å; L93-A98 HydrophobicContact CB-CB 4.03Å; L93-A98 WeakPolarHBondContact O-CB 3.4Å; L93-A101 HydrophobicContact CD1-CB 3.71Å
94	P	96.9	Very high	97.7	Very high	89 Å²	89	67.1 Å²	67.1	58%	0.578	36%	0.361	S	S	*	.			trans	-81.6	145.6	178.8	32	-34.7	0	0	0	112.6	E96 L97 A98	P94-E96 PolarHBondContact O-N 3.44Å; P94-L97 HydrophobicContact CG-CD1 4.16Å; P94-L97 WeakPolarHBondContact O-CB 3.43Å; P94-L97 PolarHBondContact O-N 3.36Å; P94-A98 PolarHBondContact O-N 2.77Å
95	G	95.9	Very high	97.7	Very high	55 Å²	55	68.7 Å²	68.7	57%	0.567	38%	0.378	S	S	*	.	H	α-helix	trans	45	-121.6	160	0	0	0	0	0	115.6	L97 A98 K99	G95-L97 VanDerWaalsContact C-N 3.29Å; G95-L97 PolarHBondContact O-N 3Å; G95-A98 PolarHBondContact O-N 3.11Å; G95-K99 PolarHBondContact O-N 3.26Å
96	E	96.6	Very high	97.7	Very high	110 Å²	110	68.9 Å²	68.9	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-29.7	-177.7	-66.9	-55.2	129.2	0	0	113.6	P94 A98 K99 H100	P94-E96 PolarHBondContact O-N 3.44Å; E96-A98 PolarHBondContact O-N 3.07Å; E96-K99 PolarHBondContact O-N 3.11Å; E96-K99 WeakPolarHBondContact OE1-CE 3.32Å; E96-K99 IonicContact OE1-NZ 2.69Å; E96-K99 PolarHBondContact OE1-NZ 2.95Å; E96-H100 PolarHBondContact O-N 3.31Å
97	L	97.3	Very high	97.6	Very high	108 Å²	108	71.3 Å²	71.3	57%	0.565	39%	0.389	S	S	*	.	H	α-helix	trans	-64.4	-42.4	177	-66.7	178.2	0	0	0	111.2	L93 P94 G95 K99 H100 A101	L93-L97 HydrophobicContact CB-CB 4.33Å; P94-L97 HydrophobicContact CG-CD1 4.16Å; P94-L97 WeakPolarHBondContact O-CB 3.43Å; P94-L97 PolarHBondContact O-N 3.36Å; G95-L97 VanDerWaalsContact C-N 3.29Å; G95-L97 PolarHBondContact O-N 3Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 2.91Å; L97-H100 PolarHBondContact O-N 2.98Å; L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.47Å
98	A	97.6	Very high	97.6	Very high	12 Å²	12	71.8 Å²	71.8	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-41.4	175.2	0	0	0	0	0	111.6	L93 P94 G95 E96 V102	L93-A98 HydrophobicContact CB-CB 4.03Å; L93-A98 WeakPolarHBondContact O-CB 3.4Å; P94-A98 PolarHBondContact O-N 2.77Å; G95-A98 PolarHBondContact O-N 3.11Å; E96-A98 PolarHBondContact O-N 3.07Å; A98-V102 VanDerWaalsContact O-CB 3.32Å; A98-V102 WeakPolarHBondContact O-CB 3.43Å; A98-V102 WeakPolarHBondContact O-CG2 3.47Å; A98-V102 PolarHBondContact O-N 3.33Å
99	K	97.6	Very high	97.5	Very high	128 Å²	128	75.1 Å²	75.1	56%	0.557	42%	0.418	S	S	*	.	H	α-helix	trans	-61	-49.6	178.8	-66.9	179.5	-173.8	170.4	0	111.6	G95 E96 L97 S103	G95-K99 PolarHBondContact O-N 3.26Å; E96-K99 PolarHBondContact O-N 3.11Å; E96-K99 WeakPolarHBondContact OE1-CE 3.32Å; E96-K99 IonicContact OE1-NZ 2.69Å; E96-K99 PolarHBondContact OE1-NZ 2.95Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 2.91Å; K99-S103 WeakPolarHBondContact O-CB 3.43Å; K99-S103 PolarHBondContact O-N 3.4Å
100	H	98.1	Very high	97.4	Very high	120 Å²	120	78 Å²	78	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-65	-46.5	178.1	-68	151.8	0	0	0	112.2	E96 L97 V102 S103 E104	E96-H100 PolarHBondContact O-N 3.31Å; L97-H100 PolarHBondContact O-N 2.98Å; H100-V102 VanDerWaalsContact C-N 3.32Å; H100-V102 PolarHBondContact O-N 3.39Å; H100-S103 WeakPolarHBondContact O-CB 3.39Å; H100-S103 PolarHBondContact O-N 2.91Å; H100-S103 VanDerWaalsContact O-N 3.15Å; H100-E104 WeakPolarHBondContact O-CG 3.41Å; H100-E104 PolarHBondContact O-N 3.18Å
101	A	98	Very high	97.4	Very high	39 Å²	39	78 Å²	78	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-60.1	-41.5	179.6	0	0	0	0	0	112.3	V89 L93 L97 G105	V89-A101 HydrophobicContact CG1-CB 3.68Å; L93-A101 HydrophobicContact CD1-CB 3.71Å; L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.47Å; A101-G105 PolarHBondContact O-N 2.97Å
102	V	98	Very high	97.3	Very high	18 Å²	18	82.1 Å²	82.1	11%	0.109	45%	0.449	C	S	.	.	H	α-helix	trans	-65.3	-44.2	175.1	169.7	0	0	0	0	111.1	Q86 V89 R90 A98 H100 G105 T106	Q86-V102 HydrophobicContact CG-CG1 3.88Å; Q86-V102 HydrophobicContact CG-CG2 4.03Å; V89-V102 HydrophobicContact CG1-CG2 4.13Å; R90-V102 HydrophobicContact CG-CG2 3.77Å; A98-V102 VanDerWaalsContact O-CB 3.32Å; A98-V102 WeakPolarHBondContact O-CB 3.43Å; A98-V102 WeakPolarHBondContact O-CG2 3.47Å; A98-V102 PolarHBondContact O-N 3.33Å; H100-V102 VanDerWaalsContact C-N 3.32Å; H100-V102 PolarHBondContact O-N 3.39Å; V102-G105 PolarHBondContact O-N 2.85Å; V102-T106 PolarHBondContact O-N 3.45Å; V102-T106 PolarHBondContact O-OG1 3.24Å; V102-T106 VanDerWaalsContact O-OG1 3.09Å
103	S	98.1	Very high	97.1	Very high	53 Å²	53	83.2 Å²	83.2	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-49.1	178.3	-171.3	0	0	0	0	111.9	K99 H100 G105 T106 K107	K99-S103 WeakPolarHBondContact O-CB 3.43Å; K99-S103 PolarHBondContact O-N 3.4Å; H100-S103 WeakPolarHBondContact O-CB 3.39Å; H100-S103 PolarHBondContact O-N 2.91Å; H100-S103 VanDerWaalsContact O-N 3.15Å; S103-G105 VanDerWaalsContact C-N 3.35Å; S103-G105 PolarHBondContact O-N 3.33Å; S103-T106 PolarHBondContact O-N 3.41Å; S103-K107 VanDerWaalsContact O-CG 3.31Å; S103-K107 WeakPolarHBondContact O-CG 3.42Å; S103-K107 PolarHBondContact O-N 2.89Å
104	E	98.3	Very high	97	Very high	109 Å²	109	84.8 Å²	84.8	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-40.6	177.7	-67.5	-52.6	127.5	0	0	112	H100 K107 A108	H100-E104 WeakPolarHBondContact O-CG 3.41Å; H100-E104 PolarHBondContact O-N 3.18Å; E104-K107 PolarHBondContact O-N 3.05Å; E104-K107 IonicContact OE1-NZ 3.26Å; E104-K107 PolarHBondContact OE1-NZ 3.42Å; E104-A108 WeakPolarHBondContact O-CB 3.37Å; E104-A108 PolarHBondContact O-N 3.17Å
105	G	97.8	Very high	96.5	Very high	37 Å²	37	85 Å²	85	38%	0.381	48%	0.478	S	S	.	.	H	α-helix	trans	-60.2	-46.9	174.7	0	0	0	0	0	112.7	A101 V102 S103 A108 V109	A101-G105 PolarHBondContact O-N 2.97Å; V102-G105 PolarHBondContact O-N 2.85Å; S103-G105 VanDerWaalsContact C-N 3.35Å; S103-G105 PolarHBondContact O-N 3.33Å; G105-A108 PolarHBondContact O-N 3.3Å; G105-V109 WeakPolarHBondContact O-CG2 3.29Å; G105-V109 PolarHBondContact O-N 2.73Å; G105-V109 VanDerWaalsContact O-N 3.09Å
106	T	97.7	Very high	94.7	Very high	66 Å²	66	94.4 Å²	94.4	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-45.7	177.7	-59.1	0	0	0	0	111.5	V102 S103 A108 V109 T110	V102-T106 PolarHBondContact O-N 3.45Å; V102-T106 PolarHBondContact O-OG1 3.24Å; V102-T106 VanDerWaalsContact O-OG1 3.09Å; S103-T106 PolarHBondContact O-N 3.41Å; T106-A108 VanDerWaalsContact C-N 3.3Å; T106-A108 PolarHBondContact O-N 2.83Å; T106-V109 PolarHBondContact O-N 3.21Å; T106-T110 PolarHBondContact O-N 3.06Å; T106-T110 PolarHBondContact O-OG1 3.18Å; T106-T110 VanDerWaalsContact O-OG1 3.09Å
107	K	97.5	Very high	94.6	Very high	115 Å²	115	93.7 Å²	93.7	50%	0.5	50%	0.503	S	S	.	.	H	α-helix	trans	-56.1	-44.9	176.1	-71.4	172.8	-167	169.4	0	111.7	S103 E104 T110 K111	S103-K107 VanDerWaalsContact O-CG 3.31Å; S103-K107 WeakPolarHBondContact O-CG 3.42Å; S103-K107 PolarHBondContact O-N 2.89Å; E104-K107 PolarHBondContact O-N 3.05Å; E104-K107 IonicContact OE1-NZ 3.26Å; E104-K107 PolarHBondContact OE1-NZ 3.42Å; K107-T110 PolarHBondContact O-N 3Å; K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 3.43Å
108	A	97.1	Very high	94.4	Very high	60 Å²	60	92.9 Å²	92.9	50%	0.496	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-43.9	179.6	0	0	0	0	0	112.2	E104 G105 T106 K111 Y112	E104-A108 WeakPolarHBondContact O-CB 3.37Å; E104-A108 PolarHBondContact O-N 3.17Å; G105-A108 PolarHBondContact O-N 3.3Å; T106-A108 VanDerWaalsContact C-N 3.3Å; T106-A108 PolarHBondContact O-N 2.83Å; A108-K111 PolarHBondContact O-N 2.95Å; A108-Y112 WeakPolarHBondContact O-CB 3.49Å; A108-Y112 PolarHBondContact O-N 3.24Å
109	V	96.4	Very high	94.3	Very high	69 Å²	69	97.4 Å²	97.4	42%	0.418	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-47.9	176.6	173.3	0	0	0	0	110.9	G105 T106 K111 Y112 T113	G105-V109 WeakPolarHBondContact O-CG2 3.29Å; G105-V109 PolarHBondContact O-N 2.73Å; G105-V109 VanDerWaalsContact O-N 3.09Å; T106-V109 PolarHBondContact O-N 3.21Å; V109-K111 PolarHBondContact O-N 2.97Å; V109-Y112 PolarHBondContact O-N 2.77Å; V109-T113 HydrophobicContact CG1-CG2 4.43Å; V109-T113 WeakPolarHBondContact O-CG2 3.5Å; V109-T113 PolarHBondContact O-N 2.91Å; V109-T113 PolarHBondContact O-OG1 3.17Å
110	T	96.6	Very high	94.1	Very high	77 Å²	77	95.6 Å²	95.6	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-57.9	-48.5	178.3	-59.6	0	0	0	0	111.2	T106 K107 Y112 T113 S114	T106-T110 PolarHBondContact O-N 3.06Å; T106-T110 PolarHBondContact O-OG1 3.18Å; T106-T110 VanDerWaalsContact O-OG1 3.09Å; K107-T110 PolarHBondContact O-N 3Å; T110-Y112 VanDerWaalsContact C-N 3.35Å; T110-Y112 PolarHBondContact O-N 3.13Å; T110-T113 WeakPolarHBondContact CA-OG1 3.35Å; T110-T113 PolarHBondContact O-N 2.78Å; T110-T113 PolarHBondContact O-OG1 2.95Å; T110-S114 WeakPolarHBondContact O-CB 3.39Å; T110-S114 PolarHBondContact O-N 3.28Å; T110-S114 PolarHBondContact O-OG 3.48Å
111	K	96.9	Very high	93.8	Very high	147 Å²	147	94.1 Å²	94.1	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-56.8	-49.6	177.2	-175.8	176.2	-179.5	177.4	0	110.9	K107 A108 V109 T113 S114 S115	K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 3.43Å; A108-K111 PolarHBondContact O-N 2.95Å; V109-K111 PolarHBondContact O-N 2.97Å; K111-T113 VanDerWaalsContact C-N 3.33Å; K111-T113 PolarHBondContact O-N 2.83Å; K111-S114 WeakPolarHBondContact CA-OG 3.04Å; K111-S114 PolarHBondContact O-N 3.23Å; K111-S114 PolarHBondContact O-OG 3.36Å; K111-S115 PolarHBondContact O-N 3.32Å; K111-S115 VanDerWaalsContact O-N 3.09Å; K111-S115 PolarHBondContact O-OG 2.77Å; K111-S115 VanDerWaalsContact O-OG 3.06Å
112	Y	95.5	Very high	93.5	Very high	193 Å²	193	97.7 Å²	97.7	76%	0.757	53%	0.531	S	S	*	.	H	α-helix	trans	-58.1	-44.2	178.7	179.9	-100.1	0	0	0	112.5	A108 V109 T110 S114	A108-Y112 WeakPolarHBondContact O-CB 3.49Å; A108-Y112 PolarHBondContact O-N 3.24Å; V109-Y112 PolarHBondContact O-N 2.77Å; T110-Y112 VanDerWaalsContact C-N 3.35Å; T110-Y112 PolarHBondContact O-N 3.13Å; Y112-S114 VanDerWaalsContact C-N 3.34Å; Y112-S114 PolarHBondContact O-N 3.4Å
113	T	94.6	Very high	93.2	Very high	91 Å²	91	103.4 Å²	103.4	56%	0.558	56%	0.561	S	S	*	*	H	α-helix	trans	-68.2	-31.8	178.6	53.1	0	0	0	0	113.4	V109 T110 K111	V109-T113 HydrophobicContact CG1-CG2 4.43Å; V109-T113 WeakPolarHBondContact O-CG2 3.5Å; V109-T113 PolarHBondContact O-N 2.91Å; V109-T113 PolarHBondContact O-OG1 3.17Å; T110-T113 WeakPolarHBondContact CA-OG1 3.35Å; T110-T113 PolarHBondContact O-N 2.78Å; T110-T113 PolarHBondContact O-OG1 2.95Å; K111-T113 VanDerWaalsContact C-N 3.33Å; K111-T113 PolarHBondContact O-N 2.83Å
114	S	93.8	Very high	92.9	Very high	85 Å²	85	107.3 Å²	107.3	59%	0.594	58%	0.576	S	S	*	*	H	α-helix	trans	-80.5	-20.3	-179.8	66.1	0	0	0	0	114.6	T110 K111 Y112 K116	T110-S114 WeakPolarHBondContact O-CB 3.39Å; T110-S114 PolarHBondContact O-N 3.28Å; T110-S114 PolarHBondContact O-OG 3.48Å; K111-S114 WeakPolarHBondContact CA-OG 3.04Å; K111-S114 PolarHBondContact O-N 3.23Å; K111-S114 PolarHBondContact O-OG 3.36Å; Y112-S114 VanDerWaalsContact C-N 3.34Å; Y112-S114 PolarHBondContact O-N 3.4Å; S114-K116 PolarHBondContact O-N 3.29Å
115	S	87.9	Confident	92.4	Very high	94 Å²	94	107.2 Å²	107.2	66%	0.657	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	13.5	180	-59.5	0	0	0	0	113.2	K111	K111-S115 PolarHBondContact O-N 3.32Å; K111-S115 VanDerWaalsContact O-N 3.09Å; K111-S115 PolarHBondContact O-OG 2.77Å; K111-S115 VanDerWaalsContact O-OG 3.06Å
116	K	57.2	Low	91.9	Very high	252 Å²	252	113.5 Å²	113.5	100%	1.096	60%	0.599	S	S	*	*			trans	-94.7	0	177.3	-160.2	179.8	-174.9	-175.4	0	111.2	S114	S114-K116 PolarHBondContact O-N 3.29Å

Retrieved 116 of 116 residues in 897.5 ms (Link to these results)

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