A0A077ZQL0_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

						>A0A077ZQL0_TRITR|A0A077ZQL0
MPPKVSVKGMKKAGKAQKVSKSGDKKRKKSRKEWFASYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFDRIAAEASRLAHYNNRHTISSREIQTAVLAN
					

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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	50.6	Low	55.3	Low	243 Å²	243	161.9 Å²	161.9	100%	1.197	88%	0.883	S	S	*	*				0	128.1	0	-75	177.9	161.8	0	0	108.4
2	P	64.1	Low	54.4	Low	120 Å²	120	165.5 Å²	165.5	78%	0.779	88%	0.883	S	S	*	*			trans	-83.4	159.1	-170.9	34.5	-33.6	0	0	0	112.5
3	P	63.7	Low	54.3	Low	121 Å²	121	160.2 Å²	160.2	79%	0.786	88%	0.877	S	S	*	*			trans	-80.4	135	-176.8	32.4	-31.5	0	0	0	111.4	V5	P3-V5 PolarHBondContact O-N 3.2Å
4	K	60.8	Low	54	Low	212 Å²	212	154.2 Å²	154.2	92%	0.922	87%	0.87	S	S	*	*			trans	-79.9	108.3	170.2	-81.3	-178.7	175.4	174.5	0	109.7	S6	K4-S6 PolarHBondContact O-N 3.09Å
5	V	58.7	Low	53.5	Low	142 Å²	142	157.6 Å²	157.6	86%	0.861	87%	0.872	S	S	*	*			trans	-67.3	118	171.4	-127.1	0	0	0	0	109.3	P3 V7	P3-V5 PolarHBondContact O-N 3.2Å; V5-V7 PolarHBondContact O-N 3.11Å
6	S	58.9	Low	53.3	Low	114 Å²	114	153.8 Å²	153.8	80%	0.797	87%	0.867	S	S	*	*			trans	-82.1	115.1	174.3	71	0	0	0	0	109.9	K4 K8	K4-S6 PolarHBondContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 3.33Å; S6-K8 VanDerWaalsContact O-N 3.15Å
7	V	57.9	Low	53.5	Low	150 Å²	150	155.8 Å²	155.8	91%	0.909	87%	0.868	S	S	*	*			trans	-70.7	107.3	174.8	-109.4	0	0	0	0	108.9	V5 G9	V5-V7 PolarHBondContact O-N 3.11Å; V7-G9 PolarHBondContact O-N 3.21Å
8	K	42.4	Very low	53.3	Low	208 Å²	208	158.4 Å²	158.4	90%	0.904	87%	0.869	S	S	*	*			trans	-63.6	109.5	178.8	-171.6	170.8	-176.2	172.7	0	110.7	S6	S6-K8 PolarHBondContact O-N 3.33Å; S6-K8 VanDerWaalsContact O-N 3.15Å
9	G	48	Very low	53.5	Low	66 Å²	66	157.4 Å²	157.4	68%	0.68	87%	0.868	S	S	*	*			trans	0.6	116.1	163.9	0	0	0	0	0	118.9	V7 K11	V7-G9 PolarHBondContact O-N 3.21Å; G9-K11 PolarHBondContact O-N 3.47Å
10	M	51.7	Low	53.6	Low	195 Å²	195	154.6 Å²	154.6	96%	0.961	86%	0.859	S	S	*	*			trans	-53.5	118.8	161.8	-68.3	162.9	98.6	0	0	110.3	K12	M10-K12 PolarHBondContact O-N 2.76Å
11	K	51.7	Low	53.5	Low	210 Å²	210	157 Å²	157	91%	0.913	86%	0.861	S	S	*	*			trans	-62.8	106	168.2	-83	-178.3	173.4	179.7	0	108.8	G9 A13	G9-K11 PolarHBondContact O-N 3.47Å; K11-A13 PolarHBondContact O-N 3.32Å
12	K	44.8	Very low	53.8	Low	205 Å²	205	150.5 Å²	150.5	89%	0.891	84%	0.839	S	S	*	*			trans	-52.8	126.7	167.1	-99.1	177.1	175.5	174.5	0	109.5	M10 G14	M10-K12 PolarHBondContact O-N 2.76Å; K12-G14 PolarHBondContact O-N 2.8Å
13	A	52.9	Low	52.9	Low	97 Å²	97	147.4 Å²	147.4	80%	0.802	83%	0.829	S	S	*	*			trans	-45.4	132.5	174.7	0	0	0	0	0	111.3	K11 K15	K11-A13 PolarHBondContact O-N 3.32Å; A13-K15 PolarHBondContact O-N 2.75Å
14	G	50.2	Low	52.3	Low	76 Å²	76	149.9 Å²	149.9	78%	0.784	84%	0.836	S	S	*	*			trans	-53.4	133	-176.1	0	0	0	0	0	112.1	K12 A16	K12-G14 PolarHBondContact O-N 2.8Å; G14-A16 PolarHBondContact O-N 3.06Å
15	K	46.3	Very low	52.1	Low	205 Å²	205	148.3 Å²	148.3	89%	0.891	83%	0.829	S	S	*	*			trans	-41.3	127.6	172.7	-77.8	172.2	170.5	176	0	111.2	A13 Q17	A13-K15 PolarHBondContact O-N 2.75Å; K15-Q17 PolarHBondContact O-N 3.34Å; K15-Q17 VanDerWaalsContact O-N 3.14Å
16	A	50.8	Low	52.1	Low	97 Å²	97	151 Å²	151	80%	0.802	83%	0.829	S	S	*	*			trans	-42.5	116.5	168.5	0	0	0	0	0	110.9	G14 K18	G14-A16 PolarHBondContact O-N 3.06Å; A16-K18 PolarHBondContact O-N 3.2Å
17	Q	56.8	Low	52	Low	187 Å²	187	157.6 Å²	157.6	87%	0.874	84%	0.837	S	S	*	*			trans	-61.2	108.7	168.6	-90.2	174.1	-74.5	0	0	108	K15 V19	K15-Q17 PolarHBondContact O-N 3.34Å; K15-Q17 VanDerWaalsContact O-N 3.14Å; Q17-V19 PolarHBondContact O-N 2.9Å
18	K	49.4	Very low	52	Low	203 Å²	203	159.5 Å²	159.5	88%	0.883	83%	0.833	S	S	*	*			trans	-54.6	112.5	163.8	-98.2	-178.7	173.3	-179.9	0	107.6	A16 S20	A16-K18 PolarHBondContact O-N 3.2Å; K18-S20 PolarHBondContact O-N 3.39Å
19	V	57.6	Low	52.7	Low	140 Å²	140	158.7 Å²	158.7	85%	0.848	83%	0.829	S	S	*	*			trans	-63.1	102	171.7	-170.9	0	0	0	0	106.8	Q17 K21	Q17-V19 PolarHBondContact O-N 2.9Å; V19-K21 PolarHBondContact O-N 2.87Å; V19-K21 VanDerWaalsContact O-N 3.1Å
20	S	55.8	Low	52.9	Low	100 Å²	100	160.7 Å²	160.7	70%	0.699	83%	0.833	S	S	*	*			trans	-67.2	109.9	173.7	46	0	0	0	0	108	K18 S22	K18-S20 PolarHBondContact O-N 3.39Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.48Å
21	K	51.3	Low	53.1	Low	207 Å²	207	161.6 Å²	161.6	90%	0.9	83%	0.825	S	S	*	*			trans	-66	90.4	171.1	-153.5	172.8	-171.5	176	0	106.4	V19 G23	V19-K21 PolarHBondContact O-N 2.87Å; V19-K21 VanDerWaalsContact O-N 3.1Å; K21-G23 PolarHBondContact O-N 3.44Å
22	S	56.3	Low	53.6	Low	106 Å²	106	159.3 Å²	159.3	74%	0.741	82%	0.816	S	S	*	*			trans	-59.4	104.1	177.5	-81.4	0	0	0	0	109	S20	S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 3.48Å
23	G	44.7	Very low	54.4	Low	55 Å²	55	157.4 Å²	157.4	57%	0.567	81%	0.81	S	S	*	*			trans	-64.3	150.3	175.8	0	0	0	0	0	113.1	K21 K25	K21-G23 PolarHBondContact O-N 3.44Å; G23-K25 PolarHBondContact O-N 3.14Å; G23-K25 VanDerWaalsContact O-N 3.09Å
24	D	50.7	Low	55.9	Low	172 Å²	172	158 Å²	158	92%	0.92	79%	0.791	S	S	*	*			trans	48	43.8	146.6	-62.9	-57.4	0	0	0	118.9	K26	D24-K26 PolarHBondContact O-N 3.26Å
25	K	57.1	Low	57.9	Low	180 Å²	180	157 Å²	157	78%	0.783	77%	0.765	S	S	*	*			trans	-84	98	155.1	-77.1	178.2	-178.4	167.4	0	108.7	G23 R27	G23-K25 PolarHBondContact O-N 3.14Å; G23-K25 VanDerWaalsContact O-N 3.09Å; K25-R27 PolarHBondContact O-N 3.36Å; K25-R27 VanDerWaalsContact O-N 3.14Å
26	K	59.2	Low	60	Low	198 Å²	198	148.1 Å²	148.1	86%	0.861	73%	0.73	S	S	*	*			trans	-14.7	111.9	163	-85.1	179.3	173.5	175.8	0	110.5	D24 K28	D24-K26 PolarHBondContact O-N 3.26Å; K26-K28 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 3.42Å
27	R	55.7	Low	62	Low	253 Å²	253	146.3 Å²	146.3	96%	0.955	71%	0.712	S	S	*	*			trans	-33	92.6	-178.3	-75.3	178.2	176.8	167.4	-1.3	110.6	K25 K29	K25-R27 PolarHBondContact O-N 3.36Å; K25-R27 VanDerWaalsContact O-N 3.14Å; R27-K29 PolarHBondContact O-N 2.95Å
28	K	59.3	Low	63.9	Low	190 Å²	190	144.3 Å²	144.3	83%	0.826	70%	0.697	S	S	*	*			trans	-65.3	115.5	172.6	-84	-172	174.6	-175.3	0	104.5	K26 S30	K26-K28 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 3.42Å; K28-S30 PolarHBondContact O-N 3.34Å; K28-S30 VanDerWaalsContact O-N 3.14Å
29	K	55.8	Low	66.1	Low	190 Å²	190	135.6 Å²	135.6	83%	0.826	66%	0.66	S	S	*	*			trans	-33	122	169.9	-174.2	173.8	-174.6	172	0	107.9	R27 R31	R27-K29 PolarHBondContact O-N 2.95Å; K29-R31 PolarHBondContact O-N 3.01Å
30	S	52.6	Low	67.9	Low	109 Å²	109	134.6 Å²	134.6	76%	0.762	64%	0.642	S	S	*	*			trans	-38.4	117.9	-179.6	175.1	0	0	0	0	108.3	K28 K32	K28-S30 PolarHBondContact O-N 3.34Å; K28-S30 VanDerWaalsContact O-N 3.14Å; S30-K32 VanDerWaalsContact C-N 3.35Å; S30-K32 PolarHBondContact O-N 2.92Å
31	R	57.2	Low	69.9	Low	214 Å²	214	136 Å²	136	81%	0.808	64%	0.636	S	S	*	*			trans	-62.3	102.7	-177.2	179.5	174.3	-175.7	139.1	1	105.6	K29 E33	K29-R31 PolarHBondContact O-N 3.01Å; R31-E33 PolarHBondContact O-N 3.06Å
32	K	60.7	Low	72.1	Confident	162 Å²	162	130 Å²	130	70%	0.704	62%	0.616	S	S	*	*			trans	-47.1	130.7	170.5	-77.9	-168.9	173	-168	0	107	S30 W34	S30-K32 VanDerWaalsContact C-N 3.35Å; S30-K32 PolarHBondContact O-N 2.92Å; K32-W34 PolarHBondContact O-N 2.74Å
33	E	63.1	Low	74.1	Confident	164 Å²	164	126.5 Å²	126.5	77%	0.766	59%	0.589	S	S	*	*			trans	-52.8	113.8	175.9	-66	-166.8	141.6	0	0	107.8	R31	R31-E33 PolarHBondContact O-N 3.06Å
34	W	82.9	Confident	76.6	Confident	111 Å²	111	127 Å²	127	42%	0.42	58%	0.575	S	S	.	*			trans	-124.7	116.4	-171.5	-109.4	50.9	0	0	0	107.5	K32 A36 M57 N61	K32-W34 PolarHBondContact O-N 2.74Å; W34-A36 HydrophobicContact CD2-CB 4.34Å; W34-A36 HydrophobicContact CE3-CB 3.35Å; W34-A36 HydrophobicContact CZ3-CB 3.79Å; W34-A36 PolarHBondContact O-N 3.19Å; W34-M57 HydrophobicContact CH2-CG 4.17Å; W34-M57 HydrophobicContact CZ3-CG 3.8Å; W34-N61 WeakPolarHBondContact CA-OD1 3.44Å
35	F	92.2	Very high	78.8	Confident	53 Å²	53	126 Å²	126	23%	0.232	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76	2.9	177.3	-63.6	-81.3	0	0	0	112.5	S37 Y38 I39 N61 V64	F35-S37 VanDerWaalsContact C-N 3.27Å; F35-S37 PolarHBondContact O-N 3.06Å; F35-S37 VanDerWaalsContact O-N 3.12Å; F35-Y38 HydrophobicContact CD1-CD2 4.31Å; F35-Y38 WeakPolarHBondContact O-CA 3.44Å; F35-Y38 WeakPolarHBondContact O-CB 3.5Å; F35-Y38 PolarHBondContact O-N 3.3Å; F35-I39 HydrophobicContact CB-CD1 3.87Å; F35-I39 HydrophobicContact CB-CG1 4.18Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.33Å; F35-N61 PolarHBondContact N-OD1 2.75Å; F35-V64 HydrophobicContact CB-CG1 4.37Å; F35-V64 HydrophobicContact CD1-CG1 3.8Å; F35-V64 HydrophobicContact CD2-CB 3.87Å; F35-V64 HydrophobicContact CD2-CG1 3.5Å; F35-V64 VanDerWaalsContact CD2-CG1 3.5Å; F35-V64 HydrophobicContact CE1-CG1 3.87Å; F35-V64 HydrophobicContact CE2-CB 4.24Å; F35-V64 HydrophobicContact CE2-CG1 3.58Å; F35-V64 HydrophobicContact CG-CB 4.18Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 3.77Å
36	A	91.7	Very high	80.8	Confident	19 Å²	19	121.9 Å²	121.9	16%	0.157	56%	0.555	C	S	.	*	H	α-helix	trans	-54.9	-35.8	-171.2	0	0	0	0	0	114.8	W34 Y38 Y40 M57	W34-A36 HydrophobicContact CD2-CB 4.34Å; W34-A36 HydrophobicContact CE3-CB 3.35Å; W34-A36 HydrophobicContact CZ3-CB 3.79Å; W34-A36 PolarHBondContact O-N 3.19Å; A36-Y38 VanDerWaalsContact C-N 3.31Å; A36-Y38 PolarHBondContact O-N 3.4Å; A36-Y40 VanDerWaalsContact O-CB 3.23Å; A36-Y40 WeakPolarHBondContact O-CB 3.32Å; A36-Y40 PolarHBondContact O-N 2.87Å; A36-M57 HydrophobicContact CB-CE 4.3Å; A36-M57 HydrophobicContact CB-CG 4.03Å; A36-M57 HydrophobicContact CB-SD 3.67Å
37	S	92.7	Very high	82.7	Confident	60 Å²	60	117.4 Å²	117.4	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.1	51.1	0	0	0	0	112.1	F35 K41	F35-S37 VanDerWaalsContact C-N 3.27Å; F35-S37 PolarHBondContact O-N 3.06Å; F35-S37 VanDerWaalsContact O-N 3.12Å; S37-K41 WeakPolarHBondContact O-CB 3.44Å; S37-K41 WeakPolarHBondContact O-CG 3.2Å; S37-K41 PolarHBondContact O-N 2.93Å
38	Y	95.9	Very high	84.7	Confident	145 Å²	145	109.2 Å²	109.2	57%	0.569	52%	0.517	S	S	*	.	H	α-helix	trans	-75.4	-44.4	178.2	-55	-73.1	0	0	0	111.2	F35 A36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.31Å; F35-Y38 WeakPolarHBondContact O-CA 3.44Å; F35-Y38 WeakPolarHBondContact O-CB 3.5Å; F35-Y38 PolarHBondContact O-N 3.3Å; A36-Y38 VanDerWaalsContact C-N 3.31Å; A36-Y38 PolarHBondContact O-N 3.4Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.38Å; Y38-K41 PolarHBondContact O-N 3.01Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; Y38-V42 WeakPolarHBondContact O-CG2 3.36Å; Y38-V42 PolarHBondContact O-N 3.43Å
39	I	96.1	Very high	86.5	Confident	20 Å²	20	107.9 Å²	107.9	10%	0.103	52%	0.518	C	S	.	.	H	α-helix	trans	-55.6	-46.3	175.1	-64.2	162.4	0	0	0	109.9	F35 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 3.87Å; F35-I39 HydrophobicContact CB-CG1 4.18Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.33Å; I39-L43 WeakPolarHBondContact O-CB 3.44Å; I39-L43 PolarHBondContact O-N 3.4Å; I39-I52 HydrophobicContact CG2-CD1 4.32Å; I39-M57 HydrophobicContact CB-SD 3.88Å; I39-M57 HydrophobicContact CD1-SD 4.03Å; I39-M57 HydrophobicContact CG2-CE 4.28Å; I39-M57 HydrophobicContact CG2-SD 3.68Å; I39-M60 HydrophobicContact CD1-CB 3.76Å; I39-M60 HydrophobicContact CG1-CB 4.37Å; I39-M60 HydrophobicContact CG2-CB 4.06Å; I39-M60 HydrophobicContact CG2-CG 4.32Å; I39-N61 HydrophobicContact CD1-CB 4.46Å
40	Y	95.9	Very high	88.5	Confident	118 Å²	118	102.1 Å²	102.1	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-40.4	178.3	-169.8	-99.5	0	0	0	113	A36 Y38 L43 K44 I52	A36-Y40 VanDerWaalsContact O-CB 3.23Å; A36-Y40 WeakPolarHBondContact O-CB 3.32Å; A36-Y40 PolarHBondContact O-N 2.87Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.38Å; Y40-L43 PolarHBondContact O-N 3.03Å; Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.84Å; Y40-K44 HydrophobicContact CE2-CG 4.42Å; Y40-K44 PolarHBondContact O-N 3.35Å; Y40-K44 WeakPolarHBondContact OH-CE 3.43Å; Y40-I52 HydrophobicContact CD2-CG2 4.45Å
41	K	96.6	Very high	90.6	Very high	130 Å²	130	99.7 Å²	99.7	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-59.9	-48.6	175.9	-80.7	174.8	-179.9	-173.6	0	111.6	S37 Y38 K44 Q45	S37-K41 WeakPolarHBondContact O-CB 3.44Å; S37-K41 WeakPolarHBondContact O-CG 3.2Å; S37-K41 PolarHBondContact O-N 2.93Å; Y38-K41 PolarHBondContact O-N 3.01Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 3.09Å; K41-Q45 VanDerWaalsContact O-CG 3.32Å; K41-Q45 WeakPolarHBondContact O-CG 3.33Å; K41-Q45 PolarHBondContact O-N 3.49Å
42	V	97.8	Very high	92.5	Very high	81 Å²	81	92.1 Å²	92.1	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-42.9	178.8	175.7	0	0	0	0	110.7	Y38 K44 Q45 V46	Y38-V42 WeakPolarHBondContact O-CG2 3.36Å; Y38-V42 PolarHBondContact O-N 3.43Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.45Å; V42-Q45 WeakPolarHBondContact O-CB 3.35Å; V42-Q45 PolarHBondContact O-N 3.17Å; V42-Q45 VanDerWaalsContact O-N 3.11Å; V42-V46 HydrophobicContact CG1-CG2 4.47Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.04Å; V42-V46 VanDerWaalsContact O-N 3.09Å
43	L	97.8	Very high	94.2	Very high	33 Å²	33	87.8 Å²	87.8	17%	0.173	46%	0.457	C	S	.	.	H	α-helix	trans	-54.7	-46.7	175.4	176.5	65.4	0	0	0	111.7	I39 Y40 Q45 V46 H47 T50 I52	I39-L43 WeakPolarHBondContact O-CB 3.44Å; I39-L43 PolarHBondContact O-N 3.4Å; Y40-L43 PolarHBondContact O-N 3.03Å; L43-Q45 VanDerWaalsContact C-N 3.32Å; L43-Q45 PolarHBondContact O-N 3.22Å; L43-V46 PolarHBondContact O-N 2.99Å; L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.4Å; L43-H47 PolarHBondContact O-N 3.21Å; L43-T50 HydrophobicContact CD1-CG2 4.46Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å
44	K	97.8	Very high	95.7	Very high	64 Å²	64	85 Å²	85	28%	0.278	46%	0.456	S	S	.	.	H	α-helix	trans	-73.5	-22	-179.7	-69.6	-54.4	-167.9	-175.7	0	114.1	Y40 K41 V42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.84Å; Y40-K44 HydrophobicContact CE2-CG 4.42Å; Y40-K44 PolarHBondContact O-N 3.35Å; Y40-K44 WeakPolarHBondContact OH-CE 3.43Å; K41-K44 PolarHBondContact O-N 3.09Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.45Å; K44-P48 WeakPolarHBondContact CD-O 3.39Å; K44-P48 PolarHBondContact NZ-O 3.35Å; K44-T50 PolarHBondContact NZ-O 2.92Å
45	Q	98	Very high	96.4	Very high	152 Å²	152	87.3 Å²	87.3	71%	0.71	47%	0.468	S	S	*	.	H	α-helix	trans	-72.3	-35.1	171.3	-74.7	173.2	-28.5	0	0	112.2	K41 V42 L43	K41-Q45 VanDerWaalsContact O-CG 3.32Å; K41-Q45 WeakPolarHBondContact O-CG 3.33Å; K41-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 WeakPolarHBondContact O-CB 3.35Å; V42-Q45 PolarHBondContact O-N 3.17Å; V42-Q45 VanDerWaalsContact O-N 3.11Å; L43-Q45 VanDerWaalsContact C-N 3.32Å; L43-Q45 PolarHBondContact O-N 3.22Å
46	V	98.4	Very high	96.6	Very high	93 Å²	93	86.3 Å²	86.3	56%	0.564	47%	0.47	S	S	*	.	H	α-helix	trans	-94.5	-38	-177.2	-175.8	0	0	0	0	112.5	V42 L43	V42-V46 HydrophobicContact CG1-CG2 4.47Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.04Å; V42-V46 VanDerWaalsContact O-N 3.09Å; L43-V46 PolarHBondContact O-N 2.99Å
47	H	97.9	Very high	96.8	Very high	105 Å²	105	86.4 Å²	86.4	49%	0.486	47%	0.467	S	S	.	.			trans	-135.8	82.8	-177.9	-62.1	-62.9	0	0	0	111.5	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.4Å; L43-H47 PolarHBondContact O-N 3.21Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.12Å; H47-T50 PolarHBondContact O-N 2.89Å
48	P	97.9	Very high	96.9	Very high	81 Å²	81	86.2 Å²	86.2	53%	0.526	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37	-176.2	-26.5	35.3	0	0	0	114	K44	K44-P48 WeakPolarHBondContact CD-O 3.39Å; K44-P48 PolarHBondContact NZ-O 3.35Å
49	D	98	Very high	96.9	Very high	161 Å²	161	84.3 Å²	84.3	86%	0.861	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1	-174.4	-54.1	-48.1	0	0	0	113.7	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.12Å
50	T	97.5	Very high	97	Very high	69 Å²	69	87 Å²	87	42%	0.423	48%	0.478	S	S	.	.			trans	-96.7	137.6	-178.7	-60.4	0	0	0	0	111.6	L43 K44 H47	L43-T50 HydrophobicContact CD1-CG2 4.46Å; K44-T50 PolarHBondContact NZ-O 2.92Å; H47-T50 PolarHBondContact O-N 2.89Å
51	G	96.5	Very high	96.9	Very high	59 Å²	59	82 Å²	82	61%	0.608	46%	0.459	S	S	*	.			trans	-99.7	169.4	170.5	0	0	0	0	0	112.2
52	I	97.4	Very high	96.8	Very high	55 Å²	55	79.3 Å²	79.3	28%	0.282	46%	0.457	S	S	.	.			trans	-131.2	133.4	175	-172.9	170.5	0	0	0	109.8	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.32Å; Y40-I52 HydrophobicContact CD2-CG2 4.45Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å; I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.59Å; I52-M57 HydrophobicContact CG2-CE 3.55Å; I52-M60 HydrophobicContact CD1-CG 4.15Å
53	S	97.2	Very high	96.7	Very high	71 Å²	71	81.1 Å²	81.1	50%	0.497	46%	0.458	S	S	.	.			trans	-71.3	159.1	177.4	72.5	0	0	0	0	111.5	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.16Å; S53-A56 PolarHBondContact O-N 3.47Å; S53-A56 WeakPolarHBondContact OG-CB 3.38Å; S53-A56 PolarHBondContact OG-N 2.86Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; S53-M57 WeakPolarHBondContact O-CB 3.45Å; S53-M57 PolarHBondContact O-N 3.03Å
54	S	94.7	Very high	96.7	Very high	106 Å²	106	81.6 Å²	81.6	74%	0.741	46%	0.463	S	S	*	.	H	α-helix	trans	-60.2	-37.1	175.6	56.3	0	0	0	0	112.6	M57 S58	S54-M57 PolarHBondContact O-N 3.3Å; S54-S58 PolarHBondContact O-N 3.03Å
55	K	96.1	Very high	96.5	Very high	158 Å²	158	80.9 Å²	80.9	69%	0.687	46%	0.462	S	S	*	.	H	α-helix	trans	-63.7	-48.4	175.2	-175.9	173.8	179.4	179.4	0	111.1	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.16Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.41Å; K55-S58 PolarHBondContact O-N 3.4Å; K55-I59 HydrophobicContact CG-CD1 4.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.36Å; K55-I59 PolarHBondContact O-N 3.48Å
56	A	97.2	Very high	96.4	Very high	33 Å²	33	76.9 Å²	76.9	27%	0.273	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.7	0	0	0	0	0	111.8	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.59Å; S53-A56 PolarHBondContact O-N 3.47Å; S53-A56 WeakPolarHBondContact OG-CB 3.38Å; S53-A56 PolarHBondContact OG-N 2.86Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.12Å; A56-I59 PolarHBondContact O-N 2.83Å; A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.87Å
57	M	95.6	Very high	96.3	Very high	20 Å²	20	75 Å²	75	10%	0.099	43%	0.434	C	S	.	.	H	α-helix	trans	-59.3	-41.4	174.2	-174.2	64.6	78.8	0	0	112	W34 A36 I39 I52 S53 S54 K55 M60 N61	W34-M57 HydrophobicContact CH2-CG 4.17Å; W34-M57 HydrophobicContact CZ3-CG 3.8Å; A36-M57 HydrophobicContact CB-CE 4.3Å; A36-M57 HydrophobicContact CB-CG 4.03Å; A36-M57 HydrophobicContact CB-SD 3.67Å; I39-M57 HydrophobicContact CB-SD 3.88Å; I39-M57 HydrophobicContact CD1-SD 4.03Å; I39-M57 HydrophobicContact CG2-CE 4.28Å; I39-M57 HydrophobicContact CG2-SD 3.68Å; I52-M57 HydrophobicContact CG2-CE 3.55Å; S53-M57 WeakPolarHBondContact O-CB 3.45Å; S53-M57 PolarHBondContact O-N 3.03Å; S54-M57 PolarHBondContact O-N 3.3Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.41Å; M57-M60 PolarHBondContact O-N 3.46Å; M57-N61 WeakPolarHBondContact O-CB 3.44Å; M57-N61 PolarHBondContact O-N 2.93Å
58	S	94.7	Very high	96.2	Very high	57 Å²	57	75.7 Å²	75.7	40%	0.399	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-40.5	176.1	-168.9	0	0	0	0	112.2	S54 K55 A56 N61 S62	S54-S58 PolarHBondContact O-N 3.03Å; K55-S58 PolarHBondContact O-N 3.4Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.12Å; S58-N61 PolarHBondContact O-N 2.86Å; S58-S62 PolarHBondContact O-N 3.45Å; S58-S62 PolarHBondContact O-OG 3.07Å
59	I	96.6	Very high	96.1	Very high	104 Å²	104	76.7 Å²	76.7	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-62.6	-47.3	176.1	-67.2	165.9	0	0	0	110	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.36Å; K55-I59 PolarHBondContact O-N 3.48Å; A56-I59 PolarHBondContact O-N 2.83Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.23Å; I59-S62 PolarHBondContact O-N 3.38Å; I59-F63 PolarHBondContact O-N 3.26Å
60	M	96.9	Very high	96	Very high	77 Å²	77	75.5 Å²	75.5	38%	0.379	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-39.4	176.8	-70.4	-59.4	-63.9	0	0	111.9	I39 I52 A56 M57 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.76Å; I39-M60 HydrophobicContact CG1-CB 4.37Å; I39-M60 HydrophobicContact CG2-CB 4.06Å; I39-M60 HydrophobicContact CG2-CG 4.32Å; I52-M60 HydrophobicContact CD1-CG 4.15Å; A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.87Å; M57-M60 PolarHBondContact O-N 3.46Å; M60-F63 PolarHBondContact O-N 3.22Å; M60-V64 WeakPolarHBondContact O-CG2 3.43Å; M60-V64 PolarHBondContact O-N 2.96Å
61	N	94.3	Very high	96	Very high	13 Å²	13	74 Å²	74	7%	0.07	41%	0.409	C	S	.	.	H	α-helix	trans	-62.7	-44.8	175.5	-170.1	79.3	0	0	0	111.6	W34 F35 I39 M57 S58 I59 F63 V64 N65	W34-N61 WeakPolarHBondContact CA-OD1 3.44Å; F35-N61 PolarHBondContact N-OD1 2.75Å; I39-N61 HydrophobicContact CD1-CB 4.46Å; M57-N61 WeakPolarHBondContact O-CB 3.44Å; M57-N61 PolarHBondContact O-N 2.93Å; S58-N61 PolarHBondContact O-N 2.86Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.23Å; N61-F63 VanDerWaalsContact C-N 3.34Å; N61-V64 PolarHBondContact O-N 2.82Å; N61-N65 PolarHBondContact ND2-ND2 3.41Å; N61-N65 PolarHBondContact O-N 3.3Å; N61-N65 VanDerWaalsContact O-N 3.15Å; N61-N65 PolarHBondContact O-ND2 2.93Å
62	S	95.2	Very high	96	Very high	74 Å²	74	72.9 Å²	72.9	52%	0.517	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.2	-69.6	0	0	0	0	112.3	S58 I59 N65 D66	S58-S62 PolarHBondContact O-N 3.45Å; S58-S62 PolarHBondContact O-OG 3.07Å; I59-S62 PolarHBondContact O-N 3.38Å; S62-N65 PolarHBondContact O-N 2.91Å; S62-D66 PolarHBondContact O-N 3.4Å
63	F	96.2	Very high	96	Very high	118 Å²	118	73.2 Å²	73.2	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-46.1	175.8	174.3	-106.7	0	0	0	112.1	I59 M60 N61 N65 D66 V67	I59-F63 PolarHBondContact O-N 3.26Å; M60-F63 PolarHBondContact O-N 3.22Å; N61-F63 VanDerWaalsContact C-N 3.34Å; F63-N65 VanDerWaalsContact C-N 3.29Å; F63-N65 PolarHBondContact O-N 3.15Å; F63-D66 PolarHBondContact O-N 3.43Å; F63-V67 HydrophobicContact CD2-CG2 4.41Å; F63-V67 HydrophobicContact CE1-CG2 4.3Å; F63-V67 HydrophobicContact CE2-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 3.89Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 3.46Å
64	V	95.9	Very high	96.1	Very high	44 Å²	44	72.1 Å²	72.1	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-38.3	176.7	176.5	0	0	0	0	111.5	F35 M60 N61 F68	F35-V64 HydrophobicContact CB-CG1 4.37Å; F35-V64 HydrophobicContact CD1-CG1 3.8Å; F35-V64 HydrophobicContact CD2-CB 3.87Å; F35-V64 HydrophobicContact CD2-CG1 3.5Å; F35-V64 VanDerWaalsContact CD2-CG1 3.5Å; F35-V64 HydrophobicContact CE1-CG1 3.87Å; F35-V64 HydrophobicContact CE2-CB 4.24Å; F35-V64 HydrophobicContact CE2-CG1 3.58Å; F35-V64 HydrophobicContact CG-CB 4.18Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 3.77Å; M60-V64 WeakPolarHBondContact O-CG2 3.43Å; M60-V64 PolarHBondContact O-N 2.96Å; N61-V64 PolarHBondContact O-N 2.82Å; V64-F68 VanDerWaalsContact O-CB 3.24Å; V64-F68 WeakPolarHBondContact O-CB 3.49Å; V64-F68 PolarHBondContact O-N 3.28Å
65	N	94.8	Very high	96.2	Very high	48 Å²	48	67 Å²	67	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-66.6	-42.6	176.5	-74.3	-66.8	0	0	0	112.3	N61 S62 F63 V67 F68 D69	N61-N65 PolarHBondContact ND2-ND2 3.41Å; N61-N65 PolarHBondContact O-N 3.3Å; N61-N65 VanDerWaalsContact O-N 3.15Å; N61-N65 PolarHBondContact O-ND2 2.93Å; S62-N65 PolarHBondContact O-N 2.91Å; F63-N65 VanDerWaalsContact C-N 3.29Å; F63-N65 PolarHBondContact O-N 3.15Å; N65-V67 PolarHBondContact O-N 3.2Å; N65-F68 WeakPolarHBondContact O-CB 3.19Å; N65-F68 PolarHBondContact O-N 2.92Å; N65-D69 WeakPolarHBondContact O-CB 3.3Å; N65-D69 PolarHBondContact O-N 2.74Å
66	D	95.4	Very high	96.3	Very high	68 Å²	68	61.9 Å²	61.9	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-47	176.6	180	19.8	0	0	0	111.2	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.4Å; F63-D66 PolarHBondContact O-N 3.43Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 2.9Å; D66-D69 PolarHBondContact O-N 3.5Å; D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.36Å; D66-R70 PolarHBondContact O-N 3.46Å; D66-R70 IonicContact OD1-CZ 3.42Å; D66-R70 IonicContact OD1-NE 3.68Å; D66-R70 PolarHBondContact OD1-NE 2.97Å; D66-R70 IonicContact OD1-NH2 3.19Å; D66-R70 PolarHBondContact OD1-NH2 3.34Å; D66-R70 IonicContact OD2-CZ 3.5Å; D66-R70 IonicContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 2.91Å
67	V	96	Very high	96.3	Very high	55 Å²	55	66.6 Å²	66.6	33%	0.333	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.7	175.6	0	0	0	0	111.6	F63 N65 R70 I71	F63-V67 HydrophobicContact CD2-CG2 4.41Å; F63-V67 HydrophobicContact CE1-CG2 4.3Å; F63-V67 HydrophobicContact CE2-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 3.89Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 3.46Å; N65-V67 PolarHBondContact O-N 3.2Å; V67-R70 PolarHBondContact O-N 2.9Å; V67-I71 HydrophobicContact CG1-CD1 3.74Å; V67-I71 HydrophobicContact CG1-CG1 4.46Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.44Å
68	F	95.8	Very high	96.3	Very high	119 Å²	119	67.1 Å²	67.1	52%	0.522	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-47.1	177	178.5	-89.5	0	0	0	111.9	V64 N65 D66 R70 I71 A72	V64-F68 VanDerWaalsContact O-CB 3.24Å; V64-F68 WeakPolarHBondContact O-CB 3.49Å; V64-F68 PolarHBondContact O-N 3.28Å; N65-F68 WeakPolarHBondContact O-CB 3.19Å; N65-F68 PolarHBondContact O-N 2.92Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 2.9Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.17Å; F68-I71 PolarHBondContact O-N 3.18Å; F68-A72 HydrophobicContact CE1-CB 4.47Å; F68-A72 VanDerWaalsContact O-CB 3.32Å; F68-A72 WeakPolarHBondContact O-CB 3.17Å; F68-A72 PolarHBondContact O-N 3.43Å
69	D	95.7	Very high	96.5	Very high	102 Å²	102	64.6 Å²	64.6	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-39.9	179.6	-76.2	-19.2	0	0	0	111.4	N65 D66 A72 A73	N65-D69 WeakPolarHBondContact O-CB 3.3Å; N65-D69 PolarHBondContact O-N 2.74Å; D66-D69 PolarHBondContact O-N 3.5Å; D69-A72 PolarHBondContact O-N 2.96Å; D69-A73 VanDerWaalsContact O-CB 3.3Å; D69-A73 WeakPolarHBondContact O-CB 3.24Å; D69-A73 PolarHBondContact O-N 2.95Å
70	R	96.8	Very high	96.5	Very high	136 Å²	136	65.9 Å²	65.9	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-47.3	174.7	-69.1	175.2	-161.8	-161.9	5.2	112.3	D66 V67 F68 A73 E74	D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.36Å; D66-R70 PolarHBondContact O-N 3.46Å; D66-R70 IonicContact OD1-CZ 3.42Å; D66-R70 IonicContact OD1-NE 3.68Å; D66-R70 PolarHBondContact OD1-NE 2.97Å; D66-R70 IonicContact OD1-NH2 3.19Å; D66-R70 PolarHBondContact OD1-NH2 3.34Å; D66-R70 IonicContact OD2-CZ 3.5Å; D66-R70 IonicContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 2.91Å; V67-R70 PolarHBondContact O-N 2.9Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.17Å; R70-A73 PolarHBondContact O-N 3.42Å; R70-E74 PolarHBondContact O-N 3.39Å
71	I	97.6	Very high	96.5	Very high	36 Å²	36	69 Å²	69	19%	0.185	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-43.3	177.9	-66.8	163.9	0	0	0	110.5	V67 F68 E74 A75 A95 V96	V67-I71 HydrophobicContact CG1-CD1 3.74Å; V67-I71 HydrophobicContact CG1-CG1 4.46Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 3.44Å; F68-I71 PolarHBondContact O-N 3.18Å; I71-E74 PolarHBondContact O-N 2.86Å; I71-A75 VanDerWaalsContact O-CB 3.26Å; I71-A75 WeakPolarHBondContact O-CB 3.27Å; I71-A75 PolarHBondContact O-N 2.85Å; I71-A95 HydrophobicContact CG2-CB 4.09Å; I71-V96 HydrophobicContact CD1-CG2 4Å; I71-V96 HydrophobicContact CG1-CG2 4.32Å; I71-V96 HydrophobicContact CG2-CG2 3.99Å
72	A	97.1	Very high	96.5	Very high	36 Å²	36	72.8 Å²	72.8	30%	0.298	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-41	179.3	0	0	0	0	0	112	F68 D69 S76	F68-A72 HydrophobicContact CE1-CB 4.47Å; F68-A72 VanDerWaalsContact O-CB 3.32Å; F68-A72 WeakPolarHBondContact O-CB 3.17Å; F68-A72 PolarHBondContact O-N 3.43Å; D69-A72 PolarHBondContact O-N 2.96Å; A72-S76 VanDerWaalsContact O-CB 3.3Å; A72-S76 WeakPolarHBondContact O-CB 3.42Å; A72-S76 PolarHBondContact O-N 2.84Å
73	A	97.4	Very high	96.6	Very high	62 Å²	62	76.2 Å²	76.2	51%	0.512	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.6	0	0	0	0	0	111.6	D69 R70 S76 R77	D69-A73 VanDerWaalsContact O-CB 3.3Å; D69-A73 WeakPolarHBondContact O-CB 3.24Å; D69-A73 PolarHBondContact O-N 2.95Å; R70-A73 PolarHBondContact O-N 3.42Å; A73-S76 WeakPolarHBondContact O-CB 3.4Å; A73-S76 PolarHBondContact O-N 2.98Å; A73-R77 WeakPolarHBondContact O-CB 3.36Å; A73-R77 PolarHBondContact O-N 2.86Å
74	E	97.6	Very high	96.6	Very high	48 Å²	48	78.5 Å²	78.5	22%	0.224	39%	0.387	C	S	.	.	H	α-helix	trans	-68.1	-39.9	179.6	-170.5	58.8	-155.4	0	0	111.8	R70 I71 S76 R77 L78 A95 A98	R70-E74 PolarHBondContact O-N 3.39Å; I71-E74 PolarHBondContact O-N 2.86Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 2.95Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.24Å; E74-L78 HydrophobicContact CG-CD1 4.44Å; E74-L78 VanDerWaalsContact O-CG 3.32Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.35Å; E74-A95 HydrophobicContact CB-CB 3.88Å; E74-A95 HydrophobicContact CG-CB 4Å; E74-A98 HydrophobicContact CG-CB 4.31Å
75	A	98	Very high	96.6	Very high	0 Å²	0	85.7 Å²	85.7	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-63.6	-38.7	175.1	0	0	0	0	0	112.2	I71 R77 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.26Å; I71-A75 WeakPolarHBondContact O-CB 3.27Å; I71-A75 PolarHBondContact O-N 2.85Å; A75-R77 VanDerWaalsContact C-N 3.34Å; A75-L78 PolarHBondContact O-N 2.91Å; A75-A79 WeakPolarHBondContact O-CB 3.2Å; A75-A79 PolarHBondContact O-N 2.54Å; A75-I87 HydrophobicContact CB-CG2 3.87Å; A75-E91 HydrophobicContact CB-CB 4.23Å; A75-I92 HydrophobicContact CB-CD1 3.73Å; A75-A95 HydrophobicContact CB-CB 3.91Å
76	S	97.3	Very high	96.7	Very high	49 Å²	49	88.5 Å²	88.5	34%	0.343	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-40.5	173.4	-177	0	0	0	0	111.8	A72 A73 E74 A79 H80	A72-S76 VanDerWaalsContact O-CB 3.3Å; A72-S76 WeakPolarHBondContact O-CB 3.42Å; A72-S76 PolarHBondContact O-N 2.84Å; A73-S76 WeakPolarHBondContact O-CB 3.4Å; A73-S76 PolarHBondContact O-N 2.98Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 2.95Å; S76-A79 PolarHBondContact O-N 3.28Å; S76-H80 PolarHBondContact O-N 3.17Å; S76-H80 PolarHBondContact O-ND1 3.21Å; S76-H80 VanDerWaalsContact O-ND1 3.11Å
77	R	97	Very high	96.8	Very high	132 Å²	132	88.9 Å²	88.9	50%	0.498	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-46.3	176	-163.3	-172.9	-162.3	-173.8	4.5	111.7	A73 E74 A75 H80 Y81	A73-R77 WeakPolarHBondContact O-CB 3.36Å; A73-R77 PolarHBondContact O-N 2.86Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.24Å; A75-R77 VanDerWaalsContact C-N 3.34Å; R77-H80 WeakPolarHBondContact O-CB 3.32Å; R77-H80 PolarHBondContact O-N 3.26Å; R77-Y81 HydrophobicContact CG-CD2 4.15Å; R77-Y81 HydrophobicContact CG-CE2 3.56Å; R77-Y81 VanDerWaalsContact CZ-OH 3.31Å; R77-Y81 PolarHBondContact NE-OH 3.28Å; R77-Y81 PolarHBondContact NH2-OH 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 2.98Å
78	L	97.1	Very high	96.8	Very high	32 Å²	32	88.8 Å²	88.8	17%	0.168	44%	0.439	C	S	.	.	H	α-helix	trans	-62.4	-41.4	176.3	-70	169	0	0	0	112.1	E74 A75 Y81 N82 E91 T94 A95	E74-L78 HydrophobicContact CG-CD1 4.44Å; E74-L78 VanDerWaalsContact O-CG 3.32Å; E74-L78 WeakPolarHBondContact O-CG 3.37Å; E74-L78 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 2.91Å; L78-Y81 PolarHBondContact O-N 3.41Å; L78-N82 PolarHBondContact O-N 3.12Å; L78-N82 VanDerWaalsContact O-N 3.12Å; L78-N82 PolarHBondContact O-ND2 3.14Å; L78-E91 HydrophobicContact CB-CB 4.18Å; L78-E91 HydrophobicContact CB-CG 3.81Å; L78-T94 HydrophobicContact CD1-CG2 3.68Å; L78-T94 HydrophobicContact CD2-CG2 4.26Å; L78-A95 HydrophobicContact CD1-CB 4.21Å
79	A	97.5	Very high	96.9	Very high	3 Å²	3	87.2 Å²	87.2	3%	0.025	44%	0.443	C	S	.	.	H	α-helix	trans	-62.4	-43.4	175.1	0	0	0	0	0	111.5	A75 S76 N82 N83 R84 I87 E91	A75-A79 WeakPolarHBondContact O-CB 3.2Å; A75-A79 PolarHBondContact O-N 2.54Å; S76-A79 PolarHBondContact O-N 3.28Å; A79-N82 CarbonylContact O-C 3.56Å; A79-N82 PolarHBondContact O-N 2.9Å; A79-N83 PolarHBondContact O-N 3.02Å; A79-R84 HydrophobicContact CB-CB 4.46Å; A79-R84 PolarHBondContact O-N 3.25Å; A79-I87 HydrophobicContact CB-CG1 3.98Å; A79-E91 HydrophobicContact CB-CG 4.17Å
80	H	96.6	Very high	96.9	Very high	131 Å²	131	90.7 Å²	90.7	61%	0.606	45%	0.448	S	S	*	.	H	α-helix	trans	-61.5	-44.8	174.9	-89.3	78.8	0	0	0	112.3	S76 R77 N82 N83	S76-H80 PolarHBondContact O-N 3.17Å; S76-H80 PolarHBondContact O-ND1 3.21Å; S76-H80 VanDerWaalsContact O-ND1 3.11Å; R77-H80 WeakPolarHBondContact O-CB 3.32Å; R77-H80 PolarHBondContact O-N 3.26Å; H80-N82 PolarHBondContact O-N 3.26Å; H80-N83 PolarHBondContact O-N 3.11Å
81	Y	96.4	Very high	96.9	Very high	144 Å²	144	84.7 Å²	84.7	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-60.8	-30.2	176.9	-71	-34.5	0	0	0	113.2	R77 L78 N83	R77-Y81 HydrophobicContact CG-CD2 4.15Å; R77-Y81 HydrophobicContact CG-CE2 3.56Å; R77-Y81 VanDerWaalsContact CZ-OH 3.31Å; R77-Y81 PolarHBondContact NE-OH 3.28Å; R77-Y81 PolarHBondContact NH2-OH 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 2.98Å; L78-Y81 PolarHBondContact O-N 3.41Å; Y81-N83 VanDerWaalsContact C-N 3.33Å
82	N	95.6	Very high	96.9	Very high	91 Å²	91	86.5 Å²	86.5	49%	0.487	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8.6	176.8	-68	-37.5	0	0	0	113.9	L78 A79 H80 R84	L78-N82 PolarHBondContact O-N 3.12Å; L78-N82 VanDerWaalsContact O-N 3.12Å; L78-N82 PolarHBondContact O-ND2 3.14Å; A79-N82 CarbonylContact O-C 3.56Å; A79-N82 PolarHBondContact O-N 2.9Å; H80-N82 PolarHBondContact O-N 3.26Å; N82-R84 HydrophobicContact CB-CG 4.06Å; N82-R84 PolarHBondContact O-N 3.29Å
83	N	96.4	Very high	96.9	Very high	147 Å²	147	90.8 Å²	90.8	79%	0.786	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.3	-174.6	-58.9	-70	0	0	0	113	A79 H80 Y81	A79-N83 PolarHBondContact O-N 3.02Å; H80-N83 PolarHBondContact O-N 3.11Å; Y81-N83 VanDerWaalsContact C-N 3.33Å
84	R	96.1	Very high	96.9	Very high	165 Å²	165	90.8 Å²	90.8	62%	0.623	44%	0.443	S	S	*	.			trans	-106.1	138.3	177.6	-64.5	-70	-175.4	158.5	-0.7	109.8	A79 N82	A79-R84 HydrophobicContact CB-CB 4.46Å; A79-R84 PolarHBondContact O-N 3.25Å; N82-R84 HydrophobicContact CB-CG 4.06Å; N82-R84 PolarHBondContact O-N 3.29Å
85	H	95.7	Very high	96.8	Very high	196 Å²	196	88.5 Å²	88.5	91%	0.907	43%	0.432	S	S	*	.	S	Bend	trans	-92.3	-0.7	171.6	-59.8	-65.4	0	0	0	113.3
86	T	97.2	Very high	96.7	Very high	106 Å²	106	92 Å²	92	65%	0.65	45%	0.453	S	S	*	.	S	Bend	trans	-125.9	123.4	-178.7	-52.9	0	0	0	0	108.9	S88	T86-S88 PolarHBondContact O-N 3.01Å
87	I	97.4	Very high	96.6	Very high	77 Å²	77	96.9 Å²	96.9	40%	0.395	48%	0.475	S	S	.	.			trans	-75.4	120.3	171.3	-60.2	173.9	0	0	0	108	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.87Å; A79-I87 HydrophobicContact CB-CG1 3.98Å; I87-E91 HydrophobicContact CG2-CB 4.01Å; I87-I92 HydrophobicContact CG2-CD1 3.77Å; I87-I92 HydrophobicContact CG2-CG1 3.95Å
88	S	97.2	Very high	96.1	Very high	52 Å²	52	93.7 Å²	93.7	36%	0.364	48%	0.477	S	S	.	.			trans	-99	175.8	176.6	83.8	0	0	0	0	111.7	T86 R90 E91 I92	T86-S88 PolarHBondContact O-N 3.01Å; S88-R90 PolarHBondContact O-N 3.5Å; S88-R90 WeakPolarHBondContact OG-CB 3.3Å; S88-R90 PolarHBondContact OG-N 2.71Å; S88-R90 VanDerWaalsContact OG-N 3.17Å; S88-E91 WeakPolarHBondContact CA-OE2 3.48Å; S88-E91 WeakPolarHBondContact CB-OE2 3.26Å; S88-E91 PolarHBondContact N-OE2 3.47Å; S88-E91 PolarHBondContact O-N 3.33Å; S88-E91 PolarHBondContact OG-OE2 3.34Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.28Å
89	S	96.9	Very high	94.9	Very high	86 Å²	86	98.6 Å²	98.6	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-58.2	-27.5	172.6	53.6	0	0	0	0	112.9	I92 Q93	S89-I92 PolarHBondContact O-N 3.06Å; S89-Q93 WeakPolarHBondContact O-CB 3.21Å; S89-Q93 WeakPolarHBondContact O-CG 3.34Å; S89-Q93 PolarHBondContact O-N 3.2Å
90	R	96.3	Very high	94.7	Very high	175 Å²	175	103.4 Å²	103.4	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-48.4	177.3	-179.9	-177.5	-68.6	-84	0.3	111.6	S88 I92 Q93 T94	S88-R90 PolarHBondContact O-N 3.5Å; S88-R90 WeakPolarHBondContact OG-CB 3.3Å; S88-R90 PolarHBondContact OG-N 2.71Å; S88-R90 VanDerWaalsContact OG-N 3.17Å; R90-I92 VanDerWaalsContact C-N 3.32Å; R90-Q93 PolarHBondContact O-N 3.14Å; R90-T94 WeakPolarHBondContact O-CB 3.46Å; R90-T94 PolarHBondContact O-N 3.15Å; R90-T94 PolarHBondContact O-OG1 3.39Å
91	E	96.4	Very high	94.6	Very high	11 Å²	11	101.9 Å²	101.9	5%	0.051	52%	0.523	C	S	.	.	H	α-helix	trans	-64.3	-39.9	178.3	-72.2	73.2	-148.3	0	0	110.9	A75 L78 A79 I87 S88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.23Å; L78-E91 HydrophobicContact CB-CB 4.18Å; L78-E91 HydrophobicContact CB-CG 3.81Å; A79-E91 HydrophobicContact CB-CG 4.17Å; I87-E91 HydrophobicContact CG2-CB 4.01Å; S88-E91 WeakPolarHBondContact CA-OE2 3.48Å; S88-E91 WeakPolarHBondContact CB-OE2 3.26Å; S88-E91 PolarHBondContact N-OE2 3.47Å; S88-E91 PolarHBondContact O-N 3.33Å; S88-E91 PolarHBondContact OG-OE2 3.34Å; E91-T94 PolarHBondContact O-N 3.09Å; E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.87Å
92	I	97.6	Very high	94.5	Very high	73 Å²	73	99.6 Å²	99.6	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-49.4	175.4	-60.3	-66.8	0	0	0	111.2	A75 I87 S88 S89 R90 T94 A95 V96	A75-I92 HydrophobicContact CB-CD1 3.73Å; I87-I92 HydrophobicContact CG2-CD1 3.77Å; I87-I92 HydrophobicContact CG2-CG1 3.95Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.28Å; S89-I92 PolarHBondContact O-N 3.06Å; R90-I92 VanDerWaalsContact C-N 3.32Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.5Å; I92-A95 PolarHBondContact O-N 2.92Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.5Å; I92-V96 PolarHBondContact O-N 3.1Å
93	Q	97	Very high	94.5	Very high	127 Å²	127	100.1 Å²	100.1	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-60.6	-41.9	178.7	-74.6	170.2	12	0	0	111.8	S89 R90 V96 L97	S89-Q93 WeakPolarHBondContact O-CB 3.21Å; S89-Q93 WeakPolarHBondContact O-CG 3.34Å; S89-Q93 PolarHBondContact O-N 3.2Å; R90-Q93 PolarHBondContact O-N 3.14Å; Q93-V96 PolarHBondContact O-N 2.98Å; Q93-L97 WeakPolarHBondContact O-CG 3.3Å; Q93-L97 PolarHBondContact O-N 3.04Å
94	T	96.8	Very high	94.3	Very high	62 Å²	62	97.1 Å²	97.1	38%	0.38	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-41.4	178.5	-51.6	0	0	0	0	111.2	L78 R90 E91 I92 V96 L97 A98	L78-T94 HydrophobicContact CD1-CG2 3.68Å; L78-T94 HydrophobicContact CD2-CG2 4.26Å; R90-T94 WeakPolarHBondContact O-CB 3.46Å; R90-T94 PolarHBondContact O-N 3.15Å; R90-T94 PolarHBondContact O-OG1 3.39Å; E91-T94 PolarHBondContact O-N 3.09Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.5Å; T94-V96 VanDerWaalsContact C-N 3.32Å; T94-V96 PolarHBondContact O-N 3.42Å; T94-L97 PolarHBondContact O-N 3.03Å; T94-L97 VanDerWaalsContact O-N 3.12Å; T94-A98 PolarHBondContact O-N 3.36Å; T94-A98 VanDerWaalsContact O-N 3.09Å
95	A	96.7	Very high	94.2	Very high	0 Å²	0	92.6 Å²	92.6	0%	0	50%	0.498	C	S	.	.	H	α-helix	trans	-62.3	-37.9	176.1	0	0	0	0	0	112.6	I71 E74 A75 L78 E91 I92 L97 A98 N99	I71-A95 HydrophobicContact CG2-CB 4.09Å; E74-A95 HydrophobicContact CB-CB 3.88Å; E74-A95 HydrophobicContact CG-CB 4Å; A75-A95 HydrophobicContact CB-CB 3.91Å; L78-A95 HydrophobicContact CD1-CB 4.21Å; E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.87Å; I92-A95 PolarHBondContact O-N 2.92Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.14Å; A95-A98 PolarHBondContact O-N 3.45Å; A95-N99 PolarHBondContact O-ND2 3.05Å
96	V	96.3	Very high	94.1	Very high	73 Å²	73	85.2 Å²	85.2	44%	0.442	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-33.4	174.3	171.8	0	0	0	0	111.8	I71 I92 Q93 T94	I71-V96 HydrophobicContact CD1-CG2 4Å; I71-V96 HydrophobicContact CG1-CG2 4.32Å; I71-V96 HydrophobicContact CG2-CG2 3.99Å; I92-V96 VanDerWaalsContact O-CG2 3.27Å; I92-V96 WeakPolarHBondContact O-CG2 3.5Å; I92-V96 PolarHBondContact O-N 3.1Å; Q93-V96 PolarHBondContact O-N 2.98Å; T94-V96 VanDerWaalsContact C-N 3.32Å; T94-V96 PolarHBondContact O-N 3.42Å
97	L	94.3	Very high	93.9	Very high	151 Å²	151	83.6 Å²	83.6	79%	0.791	46%	0.455	S	S	*	.	H	α-helix	trans	-77.6	-21.6	177.5	-69.5	169.5	0	0	0	113.5	Q93 T94 A95	Q93-L97 WeakPolarHBondContact O-CG 3.3Å; Q93-L97 PolarHBondContact O-N 3.04Å; T94-L97 PolarHBondContact O-N 3.03Å; T94-L97 VanDerWaalsContact O-N 3.12Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.14Å
98	A	86.7	Confident	93.6	Very high	66 Å²	66	84.2 Å²	84.2	55%	0.545	46%	0.46	S	S	.	.			trans	-87.6	-7.1	-178.3	0	0	0	0	0	114.1	E74 T94 A95	E74-A98 HydrophobicContact CG-CB 4.31Å; T94-A98 PolarHBondContact O-N 3.36Å; T94-A98 VanDerWaalsContact O-N 3.09Å; A95-A98 PolarHBondContact O-N 3.45Å
99	N	70.9	Confident	93.3	Very high	134 Å²	134	87.1 Å²	87.1	72%	0.717	47%	0.469	S	S	*	.			trans	-117.2	0	179.5	-71	-83.5	0	0	0	111.1	A95	A95-N99 PolarHBondContact O-ND2 3.05Å

Retrieved 99 of 99 residues in 31 ms (Link to these results)

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