A0A077ZJY4_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZJY4_TRITR|A0A077ZJY4
MAEKSTDESAMQAWSSRMTTTSGVKKRRKKRKESFSSYIYNLLKLHHPELEISSKSKWIMNSFVNDMFDRIASEASRLAQHSKRHTIGAREIQAAVRLLLPGELSMHAVNEGIKVVDKYMNTK
					

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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	44.6	Very low	58.4	Low	244 Å²	244	126.6 Å²	126.6	100%	1.202	71%	0.705	S	S	*	*				0	103.4	0	-78.2	155.1	111.5	0	0	106.5	E3	M1-E3 PolarHBondContact O-N 3.14Å
2	A	49.2	Very low	59.1	Low	106 Å²	106	125.8 Å²	125.8	88%	0.876	69%	0.692	S	S	*	*			trans	-76.5	110.7	180	0	0	0	0	0	108.4	K4	A2-K4 PolarHBondContact O-N 2.76Å
3	E	53.7	Low	59.3	Low	191 Å²	191	121.1 Å²	121.1	89%	0.893	68%	0.679	S	S	*	*			trans	-67	108.5	-178.2	-153.3	169.8	-164.4	0	0	108.5	M1 S5	M1-E3 PolarHBondContact O-N 3.14Å; E3-S5 PolarHBondContact O-N 3.18Å
4	K	58.9	Low	59	Low	162 Å²	162	126.1 Å²	126.1	70%	0.704	68%	0.683	S	S	*	*			trans	-63.9	109.6	169.3	-85.7	-175.1	170.7	-174	0	107.2	A2	A2-K4 PolarHBondContact O-N 2.76Å
5	S	55	Low	59.1	Low	77 Å²	77	122.9 Å²	122.9	54%	0.538	67%	0.673	S	S	.	*			trans	-59.2	142.1	-178.7	57	0	0	0	0	110.7	E3 D7 E8	E3-S5 PolarHBondContact O-N 3.18Å; S5-D7 PolarHBondContact O-N 2.74Å; S5-E8 PolarHBondContact O-N 2.77Å; S5-E8 VanDerWaalsContact O-N 3.1Å
6	T	65.8	Low	59.1	Low	124 Å²	124	119.9 Å²	119.9	76%	0.761	66%	0.664	S	S	*	*	H	α-helix	trans	-50.6	-24.2	-175.6	14.6	0	0	0	0	114.6	S9 A10	T6-S9 PolarHBondContact O-N 3.26Å; T6-A10 PolarHBondContact O-N 3.2Å
7	D	59.8	Low	58.8	Low	122 Å²	122	123.9 Å²	123.9	65%	0.652	67%	0.667	S	S	*	*	H	α-helix	trans	-65.3	-36.9	177.4	-89.9	-41.7	0	0	0	113.8	S5 S9 A10 M11	S5-D7 PolarHBondContact O-N 2.74Å; D7-S9 PolarHBondContact O-N 3.28Å; D7-A10 PolarHBondContact O-N 3.42Å; D7-M11 PolarHBondContact O-N 3.36Å
8	E	64.3	Low	58.4	Low	94 Å²	94	124.7 Å²	124.7	44%	0.439	67%	0.668	S	S	.	*	H	α-helix	trans	-64.4	-34.2	177.9	-107.9	-169.9	171.6	0	0	111.6	S5 Q12	S5-E8 PolarHBondContact O-N 2.77Å; S5-E8 VanDerWaalsContact O-N 3.1Å; E8-Q12 WeakPolarHBondContact O-CG 3.49Å; E8-Q12 PolarHBondContact O-N 3Å; E8-Q12 VanDerWaalsContact O-N 3.15Å
9	S	61.4	Low	58.3	Low	74 Å²	74	124 Å²	124	52%	0.517	67%	0.668	S	S	.	*	H	α-helix	trans	-71.6	-36.9	178.6	-60.2	0	0	0	0	111.5	T6 D7 A13	T6-S9 PolarHBondContact O-N 3.26Å; D7-S9 PolarHBondContact O-N 3.28Å; S9-A13 PolarHBondContact O-N 3.26Å; S9-A13 VanDerWaalsContact O-N 3.14Å
10	A	65.1	Low	58	Low	57 Å²	57	123 Å²	123	47%	0.471	67%	0.667	S	S	.	*	H	α-helix	trans	-68.4	-40.4	176.1	0	0	0	0	0	112.1	T6 D7 A13 W14	T6-A10 PolarHBondContact O-N 3.2Å; D7-A10 PolarHBondContact O-N 3.42Å; A10-A13 PolarHBondContact O-N 3.07Å; A10-W14 PolarHBondContact O-N 3.46Å; A10-W14 VanDerWaalsContact O-N 3.08Å
11	M	64.2	Low	57.7	Low	142 Å²	142	122.6 Å²	122.6	70%	0.7	67%	0.668	S	S	*	*	H	α-helix	trans	-65.5	-39.3	176.5	-71.1	-176.4	78.5	0	0	112.4	D7 W14 S15	D7-M11 PolarHBondContact O-N 3.36Å; M11-W14 PolarHBondContact O-N 2.93Å; M11-S15 PolarHBondContact O-N 3.34Å
12	Q	66.9	Low	58.1	Low	117 Å²	117	115.3 Å²	115.3	55%	0.547	64%	0.641	S	S	.	*	H	α-helix	trans	-65.2	-37.8	175.1	-74.1	176.6	39.3	0	0	112.2	E8 S16	E8-Q12 WeakPolarHBondContact O-CG 3.49Å; E8-Q12 PolarHBondContact O-N 3Å; E8-Q12 VanDerWaalsContact O-N 3.15Å; Q12-S16 WeakPolarHBondContact O-CB 3.44Å; Q12-S16 PolarHBondContact O-N 3.25Å; Q12-S16 PolarHBondContact O-OG 3.24Å
13	A	62.5	Low	58.2	Low	64 Å²	64	114 Å²	114	53%	0.529	64%	0.638	S	S	.	*	H	α-helix	trans	-65.2	-37.9	175.4	0	0	0	0	0	112.3	S9 A10 R17	S9-A13 PolarHBondContact O-N 3.26Å; S9-A13 VanDerWaalsContact O-N 3.14Å; A10-A13 PolarHBondContact O-N 3.07Å; A13-R17 PolarHBondContact O-N 2.92Å
14	W	54.9	Low	58.5	Low	192 Å²	192	110.6 Å²	110.6	73%	0.727	63%	0.631	S	S	*	*	H	α-helix	trans	-70.5	-43.9	176.8	-155.9	-24.3	0	0	0	112	A10 M11 S16 R17 M18	A10-W14 PolarHBondContact O-N 3.46Å; A10-W14 VanDerWaalsContact O-N 3.08Å; M11-W14 PolarHBondContact O-N 2.93Å; W14-S16 VanDerWaalsContact C-N 3.3Å; W14-S16 PolarHBondContact O-N 2.84Å; W14-R17 PolarHBondContact O-N 3.37Å; W14-R17 VanDerWaalsContact O-N 3.14Å; W14-M18 PolarHBondContact O-N 2.81Å
15	S	60.8	Low	58.6	Low	77 Å²	77	112.2 Å²	112.2	54%	0.538	64%	0.638	S	S	.	*	H	α-helix	trans	-57.4	-44.2	175.6	175.9	0	0	0	0	111.8	M11 R17 M18	M11-S15 PolarHBondContact O-N 3.34Å; S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 3.5Å; S15-M18 PolarHBondContact O-N 2.85Å
16	S	58.2	Low	59.1	Low	76 Å²	76	118.2 Å²	118.2	53%	0.531	65%	0.654	S	S	.	*	H	α-helix	trans	-61.6	-40.5	177.6	-54.7	0	0	0	0	111.8	Q12 W14 T19	Q12-S16 WeakPolarHBondContact O-CB 3.44Å; Q12-S16 PolarHBondContact O-N 3.25Å; Q12-S16 PolarHBondContact O-OG 3.24Å; W14-S16 VanDerWaalsContact C-N 3.3Å; W14-S16 PolarHBondContact O-N 2.84Å; S16-T19 PolarHBondContact O-N 3.04Å; S16-T19 PolarHBondContact O-OG1 3.36Å
17	R	54.3	Low	59.5	Low	188 Å²	188	123.8 Å²	123.8	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-69.7	-36.9	179.8	-163.3	117	-178.7	-165.5	-0.5	112.8	A13 W14 S15 T19 T20	A13-R17 PolarHBondContact O-N 2.92Å; W14-R17 PolarHBondContact O-N 3.37Å; W14-R17 VanDerWaalsContact O-N 3.14Å; S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 3.5Å; R17-T19 PolarHBondContact O-N 3.23Å; R17-T20 PolarHBondContact O-N 3.15Å; R17-T20 PolarHBondContact O-OG1 3.39Å
18	M	52.5	Low	60.1	Low	138 Å²	138	129.7 Å²	129.7	68%	0.68	67%	0.674	S	S	*	*	H	α-helix	trans	-61.7	-28.1	178.4	-85.9	-166	140.6	0	0	113.3	W14 S15 T20	W14-M18 PolarHBondContact O-N 2.81Å; S15-M18 PolarHBondContact O-N 2.85Å; M18-T20 PolarHBondContact O-N 3.07Å
19	T	55.3	Low	60.6	Low	111 Å²	111	133.7 Å²	133.7	68%	0.681	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-11.6	176.4	68.3	0	0	0	0	114	S16 R17	S16-T19 PolarHBondContact O-N 3.04Å; S16-T19 PolarHBondContact O-OG1 3.36Å; R17-T19 PolarHBondContact O-N 3.23Å
20	T	53.5	Low	61.3	Low	104 Å²	104	139.3 Å²	139.3	64%	0.638	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-8.4	-176.4	64.1	0	0	0	0	115	R17 M18	R17-T20 PolarHBondContact O-N 3.15Å; R17-T20 PolarHBondContact O-OG1 3.39Å; M18-T20 PolarHBondContact O-N 3.07Å
21	T	51	Low	61.9	Low	114 Å²	114	148.1 Å²	148.1	70%	0.699	73%	0.726	S	S	*	*			trans	-94.7	-5.2	-170.5	-62.4	0	0	0	0	115.4	G23	T21-G23 PolarHBondContact O-N 3.27Å
22	S	52.6	Low	62.6	Low	91 Å²	91	149.2 Å²	149.2	64%	0.636	73%	0.727	S	S	*	*			trans	-94.2	101.6	173.1	49.9	0	0	0	0	110.7	V24	S22-V24 PolarHBondContact O-N 3.26Å
23	G	52	Low	63.6	Low	79 Å²	79	152.7 Å²	152.7	81%	0.814	74%	0.743	S	S	*	*			trans	-62.3	37.4	-178.7	0	0	0	0	0	116.9	T21 K25	T21-G23 PolarHBondContact O-N 3.27Å; G23-K25 PolarHBondContact O-N 2.88Å
24	V	59.6	Low	65.1	Low	120 Å²	120	152 Å²	152	73%	0.727	74%	0.735	S	S	*	*			trans	-74.3	93.7	168.9	-174.1	0	0	0	0	107.4	S22 K26	S22-V24 PolarHBondContact O-N 3.26Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.95Å
25	K	60.4	Low	67	Low	196 Å²	196	146.6 Å²	146.6	85%	0.852	72%	0.716	S	S	*	*			trans	-50.9	100	168	-75.5	179.7	-179.9	172.8	0	108	G23 R27	G23-K25 PolarHBondContact O-N 2.88Å; K25-R27 PolarHBondContact O-N 3.25Å
26	K	66.4	Low	68.6	Low	202 Å²	202	144.8 Å²	144.8	88%	0.878	70%	0.704	S	S	*	*			trans	-50.4	110.4	176.3	-98.3	178.1	177	169.2	0	107.2	V24 R28	V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.95Å; K26-R28 PolarHBondContact O-N 3.41Å; K26-R28 VanDerWaalsContact O-N 3.07Å
27	R	73.3	Confident	70.3	Confident	242 Å²	242	144.2 Å²	144.2	91%	0.913	70%	0.7	S	S	*	*			trans	-47.8	121.7	173.8	-83.2	175.9	111.4	144.6	0.5	107	K25 K29	K25-R27 PolarHBondContact O-N 3.25Å; R27-K29 PolarHBondContact O-N 3.07Å
28	R	72.2	Confident	72.3	Confident	246 Å²	246	142.5 Å²	142.5	93%	0.928	70%	0.695	S	S	*	*			trans	-54.6	114.5	177.6	-71.8	-173.6	173.9	-175.7	-1.2	107.2	K26 K30	K26-R28 PolarHBondContact O-N 3.41Å; K26-R28 VanDerWaalsContact O-N 3.07Å; R28-K30 PolarHBondContact O-N 3.26Å
29	K	74.8	Confident	74.4	Confident	177 Å²	177	136.8 Å²	136.8	77%	0.77	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.3	178.7	-171	172.2	-172.3	171.2	0	107.3	R27 R31	R27-K29 PolarHBondContact O-N 3.07Å; K29-R31 PolarHBondContact O-N 3.01Å
30	K	77.4	Confident	76.4	Confident	193 Å²	193	135.3 Å²	135.3	84%	0.839	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-52.3	131.3	173.6	-76.7	-174.2	177.1	-177	0	108	R28 K32	R28-K30 PolarHBondContact O-N 3.26Å; K30-K32 PolarHBondContact O-N 3.38Å; K30-K32 VanDerWaalsContact O-N 3.16Å
31	R	76.4	Confident	78.4	Confident	241 Å²	241	134.9 Å²	134.9	91%	0.909	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-57.9	120.9	177.2	-172	172.8	171.5	168.2	-4	106.9	K29 E33	K29-R31 PolarHBondContact O-N 3.01Å; R31-E33 PolarHBondContact O-N 3.12Å
32	K	80.3	Confident	80.6	Confident	166 Å²	166	134.3 Å²	134.3	72%	0.722	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-73.6	124.8	170.5	-70.6	-169.9	173.3	-167	0	106.9	K30	K30-K32 PolarHBondContact O-N 3.38Å; K30-K32 VanDerWaalsContact O-N 3.16Å
33	E	87.4	Confident	82.6	Confident	189 Å²	189	131.7 Å²	131.7	88%	0.883	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-60.2	141.1	170.2	-66.7	174.3	174.5	0	0	108.8	R31	R31-E33 PolarHBondContact O-N 3.12Å
34	S	94.3	Very high	84.8	Confident	51 Å²	51	130.4 Å²	130.4	36%	0.357	59%	0.586	S	S	.	*			trans	-150.9	142.9	-176	176.3	0	0	0	0	110.5	S36 N61	S34-S36 PolarHBondContact O-N 3.16Å; S34-S36 WeakPolarHBondContact OG-CB 3.13Å; S34-S36 PolarHBondContact OG-N 3.49Å; S34-S36 VanDerWaalsContact OG-N 3.11Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S34-N61 VanDerWaalsContact CA-OD1 3.29Å; S34-N61 WeakPolarHBondContact CA-OD1 3.39Å; S34-N61 WeakPolarHBondContact CB-OD1 3.44Å; S34-N61 PolarHBondContact OG-OD1 3Å
35	F	95	Very high	86.6	Confident	77 Å²	77	130.8 Å²	130.8	34%	0.338	58%	0.583	S	S	.	*	S	Bend	trans	-80.1	4.4	173	-61.9	-79.3	0	0	0	113.4	S37 Y38 I39 N61 V64 N65	F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.43Å; F35-S37 VanDerWaalsContact O-N 3.13Å; F35-Y38 HydrophobicContact CD1-CD2 4.23Å; F35-Y38 PolarHBondContact O-N 3Å; F35-I39 HydrophobicContact CB-CD1 3.97Å; F35-I39 HydrophobicContact CB-CG1 4.3Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.13Å; F35-N61 PolarHBondContact N-OD1 2.72Å; F35-V64 HydrophobicContact CB-CG1 4.35Å; F35-V64 HydrophobicContact CD1-CG1 4.22Å; F35-V64 HydrophobicContact CD2-CB 4.18Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.45Å; F35-V64 HydrophobicContact CE2-CG1 3.82Å; F35-V64 HydrophobicContact CG-CB 4.49Å; F35-V64 HydrophobicContact CG-CG1 3.77Å; F35-V64 HydrophobicContact CZ-CG1 4.26Å; F35-N65 VanDerWaalsContact CE2-OD1 3.28Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.27Å
36	S	94.1	Very high	88.2	Confident	39 Å²	39	127.6 Å²	127.6	27%	0.273	57%	0.571	S	S	.	*	H	α-helix	trans	-55.8	-34.9	-172.1	-65.4	0	0	0	0	114.4	S34 Y40	S34-S36 PolarHBondContact O-N 3.16Å; S34-S36 WeakPolarHBondContact OG-CB 3.13Å; S34-S36 PolarHBondContact OG-N 3.49Å; S34-S36 VanDerWaalsContact OG-N 3.11Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S36-Y40 PolarHBondContact O-N 3.41Å
37	S	94.5	Very high	89.7	Confident	65 Å²	65	122.2 Å²	122.2	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-70.7	-44.2	175.1	50.8	0	0	0	0	111.9	F35 Y40 N41	F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.43Å; F35-S37 VanDerWaalsContact O-N 3.13Å; S37-Y40 PolarHBondContact O-N 3.1Å; S37-N41 PolarHBondContact O-N 3.01Å; S37-N41 PolarHBondContact O-ND2 3.3Å; S37-N41 PolarHBondContact O-OD1 3.35Å
38	Y	95.9	Very high	90.8	Very high	152 Å²	152	114.8 Å²	114.8	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-41.1	178.2	-61.3	-72.9	0	0	0	111.9	F35 Y40 N41 L42	F35-Y38 HydrophobicContact CD1-CD2 4.23Å; F35-Y38 PolarHBondContact O-N 3Å; Y38-Y40 VanDerWaalsContact C-N 3.29Å; Y38-Y40 PolarHBondContact O-N 3.32Å; Y38-N41 PolarHBondContact O-N 3.35Å; Y38-L42 WeakPolarHBondContact O-CB 3.48Å; Y38-L42 WeakPolarHBondContact O-CG 3.45Å; Y38-L42 PolarHBondContact O-N 3.49Å
39	I	96.5	Very high	92	Very high	17 Å²	17	109.3 Å²	109.3	9%	0.087	52%	0.517	C	S	.	.	H	α-helix	trans	-58.5	-43.3	174.8	-67.9	159.8	0	0	0	110.6	F35 L43 I52 M60 N61 V64	F35-I39 HydrophobicContact CB-CD1 3.97Å; F35-I39 HydrophobicContact CB-CG1 4.3Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.13Å; I39-L43 PolarHBondContact O-N 3.06Å; I39-L43 VanDerWaalsContact O-N 3.07Å; I39-I52 HydrophobicContact CG2-CD1 4.3Å; I39-M60 HydrophobicContact CD1-CB 3.78Å; I39-M60 HydrophobicContact CG1-CB 4.39Å; I39-M60 HydrophobicContact CG2-CB 3.94Å; I39-M60 HydrophobicContact CG2-CG 4.33Å; I39-N61 HydrophobicContact CD1-CB 4.11Å; I39-V64 HydrophobicContact CD1-CG2 4.4Å
40	Y	96.7	Very high	93	Very high	80 Å²	80	104.8 Å²	104.8	31%	0.314	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-44.6	176.6	178.4	-101.9	0	0	0	112.4	S36 S37 Y38 L42 L43 K44 I52	S36-Y40 PolarHBondContact O-N 3.41Å; S37-Y40 PolarHBondContact O-N 3.1Å; Y38-Y40 VanDerWaalsContact C-N 3.29Å; Y38-Y40 PolarHBondContact O-N 3.32Å; Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.02Å; Y40-L43 WeakPolarHBondContact O-CB 3.41Å; Y40-L43 PolarHBondContact O-N 3.34Å; Y40-K44 HydrophobicContact CD1-CG 4.48Å; Y40-K44 HydrophobicContact CE1-CG 3.97Å; Y40-K44 HydrophobicContact CE2-CG 4.16Å; Y40-K44 PolarHBondContact O-N 3.23Å; Y40-K44 WeakPolarHBondContact OH-CE 3.47Å; Y40-I52 HydrophobicContact CD2-CG2 4.01Å
41	N	96.8	Very high	93.8	Very high	96 Å²	96	103.6 Å²	103.6	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-38.4	179.5	-66.8	-10.3	0	0	0	111.8	S37 Y38 K44 L45	S37-N41 PolarHBondContact O-N 3.01Å; S37-N41 PolarHBondContact O-ND2 3.3Å; S37-N41 PolarHBondContact O-OD1 3.35Å; Y38-N41 PolarHBondContact O-N 3.35Å; N41-K44 PolarHBondContact O-N 3.12Å; N41-L45 WeakPolarHBondContact O-CB 3.4Å; N41-L45 PolarHBondContact O-N 2.87Å
42	L	95.3	Very high	94.8	Very high	101 Å²	101	94.1 Å²	94.1	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-43.4	173.9	-75.8	170.6	0	0	0	111.5	Y38 Y40 K44 L45 H46	Y38-L42 WeakPolarHBondContact O-CB 3.48Å; Y38-L42 WeakPolarHBondContact O-CG 3.45Å; Y38-L42 PolarHBondContact O-N 3.49Å; Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.02Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.33Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.98Å; L42-H46 PolarHBondContact O-CD2 2.94Å; L42-H46 VanDerWaalsContact O-CD2 3.26Å; L42-H46 PolarHBondContact O-N 3.19Å
43	L	96.6	Very high	95.5	Very high	36 Å²	36	89.1 Å²	89.1	19%	0.188	45%	0.451	C	S	.	.	H	α-helix	trans	-57.2	-48	174	177.6	66.2	0	0	0	110.9	I39 Y40 L45 H46 H47 L50 I52	I39-L43 PolarHBondContact O-N 3.06Å; I39-L43 VanDerWaalsContact O-N 3.07Å; Y40-L43 WeakPolarHBondContact O-CB 3.41Å; Y40-L43 PolarHBondContact O-N 3.34Å; L43-L45 VanDerWaalsContact C-N 3.28Å; L43-L45 PolarHBondContact O-N 3.47Å; L43-H46 PolarHBondContact O-N 3.04Å; L43-H47 HydrophobicContact CD1-CB 4.19Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.42Å; L43-H47 PolarHBondContact O-N 3.36Å; L43-L50 HydrophobicContact CD1-CB 4.19Å; L43-L50 HydrophobicContact CD2-CB 4.5Å; L43-I52 HydrophobicContact CD2-CB 3.63Å; L43-I52 HydrophobicContact CD2-CG2 3.59Å
44	K	97.2	Very high	95.9	Very high	53 Å²	53	85 Å²	85	23%	0.23	44%	0.443	C	S	.	.	H	α-helix	trans	-68.2	-24.5	-180	-69.5	-57	-167.4	-175.2	0	113.9	Y40 N41 L42 P48 L50	Y40-K44 HydrophobicContact CD1-CG 4.48Å; Y40-K44 HydrophobicContact CE1-CG 3.97Å; Y40-K44 HydrophobicContact CE2-CG 4.16Å; Y40-K44 PolarHBondContact O-N 3.23Å; Y40-K44 WeakPolarHBondContact OH-CE 3.47Å; N41-K44 PolarHBondContact O-N 3.12Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.33Å; K44-P48 PolarHBondContact NZ-O 3.08Å; K44-P48 WeakPolarHBondContact O-CG 3.38Å; K44-L50 WeakPolarHBondContact CE-O 3.33Å; K44-L50 PolarHBondContact NZ-O 3.5Å
45	L	96.5	Very high	96	Very high	128 Å²	128	90.1 Å²	90.1	67%	0.67	46%	0.459	S	S	*	.	H	α-helix	trans	-69.2	-35.6	174.4	-178.7	61.9	0	0	0	112.1	N41 L42 L43	N41-L45 WeakPolarHBondContact O-CB 3.4Å; N41-L45 PolarHBondContact O-N 2.87Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.98Å; L43-L45 VanDerWaalsContact C-N 3.28Å; L43-L45 PolarHBondContact O-N 3.47Å
46	H	95.3	Very high	96	Very high	129 Å²	129	88.8 Å²	88.8	60%	0.597	46%	0.459	S	S	*	.	H	α-helix	trans	-100	-31.6	-177	-66.1	-71.8	0	0	0	113.9	L42 L43	L42-H46 PolarHBondContact O-CD2 2.94Å; L42-H46 VanDerWaalsContact O-CD2 3.26Å; L42-H46 PolarHBondContact O-N 3.19Å; L43-H46 PolarHBondContact O-N 3.04Å
47	H	96.6	Very high	96.1	Very high	89 Å²	89	89.4 Å²	89.4	41%	0.412	46%	0.457	S	S	.	.			trans	-141.1	77.9	-176.6	-61.4	-70.4	0	0	0	110.9	L43 E49 L50	L43-H47 HydrophobicContact CD1-CB 4.19Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.42Å; L43-H47 PolarHBondContact O-N 3.36Å; H47-E49 IonicContact ND1-OE1 3.69Å; H47-E49 PolarHBondContact O-N 3.42Å; H47-L50 HydrophobicContact CB-CB 3.98Å; H47-L50 HydrophobicContact CB-CD1 3.59Å; H47-L50 HydrophobicContact CB-CG 3.77Å; H47-L50 PolarHBondContact O-N 2.85Å; H47-L50 VanDerWaalsContact O-N 3.14Å
48	P	96.5	Very high	96.1	Very high	85 Å²	85	94.9 Å²	94.9	55%	0.552	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-30.3	-178.2	-24.1	33.4	0	0	0	114.2	K44	K44-P48 PolarHBondContact NZ-O 3.08Å; K44-P48 WeakPolarHBondContact O-CG 3.38Å
49	E	97.3	Very high	96.2	Very high	132 Å²	132	92 Å²	92	62%	0.617	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.3	-179.3	72.9	-71.1	171.1	0	0	113.9	H47	H47-E49 IonicContact ND1-OE1 3.69Å; H47-E49 PolarHBondContact O-N 3.42Å
50	L	96.5	Very high	96.2	Very high	82 Å²	82	95.1 Å²	95.1	43%	0.429	48%	0.477	S	S	.	.			trans	-89	149.5	-175.7	-63.3	-176.6	0	0	0	112.3	L43 K44 H47	L43-L50 HydrophobicContact CD1-CB 4.19Å; L43-L50 HydrophobicContact CD2-CB 4.5Å; K44-L50 WeakPolarHBondContact CE-O 3.33Å; K44-L50 PolarHBondContact NZ-O 3.5Å; H47-L50 HydrophobicContact CB-CB 3.98Å; H47-L50 HydrophobicContact CB-CD1 3.59Å; H47-L50 HydrophobicContact CB-CG 3.77Å; H47-L50 PolarHBondContact O-N 2.85Å; H47-L50 VanDerWaalsContact O-N 3.14Å
51	E	95.2	Very high	96.2	Very high	168 Å²	168	92.1 Å²	92.1	79%	0.785	47%	0.466	S	S	*	.			trans	-120.5	157.5	172.8	-62.1	-161.7	149	0	0	111.3
52	I	95.8	Very high	96.2	Very high	41 Å²	41	90.6 Å²	90.6	21%	0.21	46%	0.463	C	S	.	.			trans	-132.4	126.8	-179.4	-173.4	174.8	0	0	0	110.6	I39 Y40 L43 S56 K57 M60	I39-I52 HydrophobicContact CG2-CD1 4.3Å; Y40-I52 HydrophobicContact CD2-CG2 4.01Å; L43-I52 HydrophobicContact CD2-CB 3.63Å; L43-I52 HydrophobicContact CD2-CG2 3.59Å; I52-S56 VanDerWaalsContact CG1-CB 3.5Å; I52-K57 HydrophobicContact CD1-CG 4.24Å; I52-K57 HydrophobicContact CG1-CG 4.2Å; I52-K57 HydrophobicContact CG2-CD 4.33Å; I52-K57 VanDerWaalsContact CG2-CE 3.42Å; I52-K57 HydrophobicContact CG2-CG 3.92Å; I52-K57 WeakPolarHBondContact O-CE 3.39Å; I52-M60 HydrophobicContact CD1-CG 4.36Å
53	S	96.4	Very high	96.3	Very high	62 Å²	62	91.3 Å²	91.3	43%	0.434	46%	0.462	S	S	.	.			trans	-64.7	158.4	-179.3	82.3	0	0	0	0	112.4	K55 S56 K57	S53-K55 VanDerWaalsContact C-N 3.31Å; S53-K55 PolarHBondContact O-N 3.05Å; S53-S56 PolarHBondContact O-N 2.84Å; S53-S56 WeakPolarHBondContact OG-CB 3.44Å; S53-S56 PolarHBondContact OG-N 3.45Å; S53-S56 PolarHBondContact OG-OG 3.34Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 3.36Å
54	S	94.6	Very high	96.3	Very high	103 Å²	103	91.7 Å²	91.7	72%	0.72	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-39.2	174.8	54.4	0	0	0	0	112.7	K57 W58	S54-K57 PolarHBondContact O-N 3.15Å; S54-W58 PolarHBondContact O-N 3.26Å; S54-W58 VanDerWaalsContact O-N 3.08Å
55	K	95.9	Very high	96.3	Very high	157 Å²	157	92 Å²	92	68%	0.683	47%	0.47	S	S	*	.	H	α-helix	trans	-63.5	-43.4	175.7	-173.5	175	176.4	179.2	0	111.4	S53 W58 I59	S53-K55 VanDerWaalsContact C-N 3.31Å; S53-K55 PolarHBondContact O-N 3.05Å; K55-W58 WeakPolarHBondContact O-CB 3.49Å; K55-W58 PolarHBondContact O-N 3.08Å; K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.41Å; K55-I59 VanDerWaalsContact O-N 3.15Å
56	S	96.4	Very high	96.4	Very high	49 Å²	49	89.9 Å²	89.9	34%	0.343	46%	0.459	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.6	-56.5	0	0	0	0	111.9	I52 S53 W58 I59 M60	I52-S56 VanDerWaalsContact CG1-CB 3.5Å; S53-S56 PolarHBondContact O-N 2.84Å; S53-S56 WeakPolarHBondContact OG-CB 3.44Å; S53-S56 PolarHBondContact OG-N 3.45Å; S53-S56 PolarHBondContact OG-OG 3.34Å; S56-W58 VanDerWaalsContact C-N 3.27Å; S56-W58 PolarHBondContact O-N 2.96Å; S56-I59 PolarHBondContact O-N 3.24Å; S56-M60 WeakPolarHBondContact O-CG 3.4Å; S56-M60 PolarHBondContact O-N 2.82Å
57	K	95.1	Very high	96.4	Very high	52 Å²	52	84.9 Å²	84.9	23%	0.226	44%	0.437	C	S	.	.	H	α-helix	trans	-57.7	-39.3	173.3	-70.2	179.6	-172.6	-176.9	0	112	I52 S53 S54 M60 N61	I52-K57 HydrophobicContact CD1-CG 4.24Å; I52-K57 HydrophobicContact CG1-CG 4.2Å; I52-K57 HydrophobicContact CG2-CD 4.33Å; I52-K57 VanDerWaalsContact CG2-CE 3.42Å; I52-K57 HydrophobicContact CG2-CG 3.92Å; I52-K57 WeakPolarHBondContact O-CE 3.39Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 3.36Å; S54-K57 PolarHBondContact O-N 3.15Å; K57-M60 PolarHBondContact O-N 2.74Å; K57-N61 VanDerWaalsContact O-CB 3.27Å; K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 PolarHBondContact O-N 3.06Å
58	W	95.2	Very high	96.5	Very high	180 Å²	180	86.7 Å²	86.7	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-65.3	-43	177.9	-176.6	77.9	0	0	0	112.5	S54 K55 S56 N61 S62	S54-W58 PolarHBondContact O-N 3.26Å; S54-W58 VanDerWaalsContact O-N 3.08Å; K55-W58 WeakPolarHBondContact O-CB 3.49Å; K55-W58 PolarHBondContact O-N 3.08Å; S56-W58 VanDerWaalsContact C-N 3.27Å; S56-W58 PolarHBondContact O-N 2.96Å; W58-N61 PolarHBondContact O-N 3.29Å; W58-S62 PolarHBondContact O-N 2.97Å
59	I	97.3	Very high	96.5	Very high	93 Å²	93	87.1 Å²	87.1	48%	0.477	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-49.4	174.6	-64.9	167	0	0	0	110.2	K55 S56 N61 S62 F63	K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.41Å; K55-I59 VanDerWaalsContact O-N 3.15Å; S56-I59 PolarHBondContact O-N 3.24Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.96Å; I59-S62 WeakPolarHBondContact O-CB 3.49Å; I59-S62 PolarHBondContact O-N 3.39Å; I59-S62 VanDerWaalsContact O-N 3.12Å; I59-F63 PolarHBondContact O-N 3.11Å
60	M	97.4	Very high	96.6	Very high	81 Å²	81	85.4 Å²	85.4	40%	0.399	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-39.1	178.1	-69.6	-59	-64.5	0	0	112.4	I39 I52 S56 K57 S62 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.78Å; I39-M60 HydrophobicContact CG1-CB 4.39Å; I39-M60 HydrophobicContact CG2-CB 3.94Å; I39-M60 HydrophobicContact CG2-CG 4.33Å; I52-M60 HydrophobicContact CD1-CG 4.36Å; S56-M60 WeakPolarHBondContact O-CG 3.4Å; S56-M60 PolarHBondContact O-N 2.82Å; K57-M60 PolarHBondContact O-N 2.74Å; M60-S62 VanDerWaalsContact C-N 3.32Å; M60-S62 PolarHBondContact O-N 2.68Å; M60-F63 WeakPolarHBondContact O-CB 3.34Å; M60-F63 PolarHBondContact O-N 3.24Å; M60-V64 WeakPolarHBondContact O-CG2 3.35Å; M60-V64 PolarHBondContact O-N 3.33Å
61	N	96.1	Very high	96.6	Very high	18 Å²	18	83.3 Å²	83.3	10%	0.096	42%	0.418	C	S	.	.	H	α-helix	trans	-62.2	-41	175.1	178.2	92.9	0	0	0	111.7	S34 F35 I39 K57 W58 I59 F63 V64 N65	S34-N61 VanDerWaalsContact CA-OD1 3.29Å; S34-N61 WeakPolarHBondContact CA-OD1 3.39Å; S34-N61 WeakPolarHBondContact CB-OD1 3.44Å; S34-N61 PolarHBondContact OG-OD1 3Å; F35-N61 PolarHBondContact N-OD1 2.72Å; I39-N61 HydrophobicContact CD1-CB 4.11Å; K57-N61 VanDerWaalsContact O-CB 3.27Å; K57-N61 WeakPolarHBondContact O-CB 3.32Å; K57-N61 PolarHBondContact O-N 3.06Å; W58-N61 PolarHBondContact O-N 3.29Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.96Å; N61-F63 VanDerWaalsContact C-N 3.33Å; N61-V64 PolarHBondContact O-N 3.35Å; N61-N65 PolarHBondContact ND2-ND2 3.25Å; N61-N65 PolarHBondContact O-N 2.67Å; N61-N65 VanDerWaalsContact O-N 3.11Å; N61-N65 PolarHBondContact O-ND2 3.03Å
62	S	97.2	Very high	96.8	Very high	64 Å²	64	76.9 Å²	76.9	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174.2	-164.6	0	0	0	0	111.6	W58 I59 M60 N65 D66	W58-S62 PolarHBondContact O-N 2.97Å; I59-S62 WeakPolarHBondContact O-CB 3.49Å; I59-S62 PolarHBondContact O-N 3.39Å; I59-S62 VanDerWaalsContact O-N 3.12Å; M60-S62 VanDerWaalsContact C-N 3.32Å; M60-S62 PolarHBondContact O-N 2.68Å; S62-N65 PolarHBondContact O-N 3.1Å; S62-D66 PolarHBondContact O-N 3.1Å
63	F	97.6	Very high	96.9	Very high	115 Å²	115	78 Å²	78	50%	0.504	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.7	176.5	-104.2	0	0	0	112.2	I59 M60 N61 N65 D66 M67	I59-F63 PolarHBondContact O-N 3.11Å; M60-F63 WeakPolarHBondContact O-CB 3.34Å; M60-F63 PolarHBondContact O-N 3.24Å; N61-F63 VanDerWaalsContact C-N 3.33Å; F63-N65 VanDerWaalsContact C-N 3.32Å; F63-N65 PolarHBondContact O-N 3.24Å; F63-D66 PolarHBondContact O-N 3.28Å; F63-M67 HydrophobicContact CD1-CG 4.41Å; F63-M67 HydrophobicContact CD2-CG 4.44Å; F63-M67 HydrophobicContact CE1-CG 3.96Å; F63-M67 HydrophobicContact CE2-CG 3.99Å; F63-M67 HydrophobicContact CE2-SD 4.23Å; F63-M67 HydrophobicContact CZ-CG 3.73Å; F63-M67 HydrophobicContact CZ-SD 4.13Å; F63-M67 WeakPolarHBondContact O-CG 3.48Å; F63-M67 PolarHBondContact O-N 3.14Å
64	V	97.2	Very high	96.9	Very high	44 Å²	44	77.2 Å²	77.2	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.7	173.4	0	0	0	0	111.4	F35 I39 M60 N61 M67 F68	F35-V64 HydrophobicContact CB-CG1 4.35Å; F35-V64 HydrophobicContact CD1-CG1 4.22Å; F35-V64 HydrophobicContact CD2-CB 4.18Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.45Å; F35-V64 HydrophobicContact CE2-CG1 3.82Å; F35-V64 HydrophobicContact CG-CB 4.49Å; F35-V64 HydrophobicContact CG-CG1 3.77Å; F35-V64 HydrophobicContact CZ-CG1 4.26Å; I39-V64 HydrophobicContact CD1-CG2 4.4Å; M60-V64 WeakPolarHBondContact O-CG2 3.35Å; M60-V64 PolarHBondContact O-N 3.33Å; N61-V64 PolarHBondContact O-N 3.35Å; V64-M67 PolarHBondContact O-N 3.38Å; V64-F68 WeakPolarHBondContact O-CB 3.37Å; V64-F68 PolarHBondContact O-N 3.36Å
65	N	96.6	Very high	97.1	Very high	60 Å²	60	72.3 Å²	72.3	32%	0.321	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-45.2	176.2	-72.8	-21	0	0	0	112.1	F35 N61 S62 F63 M67 F68 D69	F35-N65 VanDerWaalsContact CE2-OD1 3.28Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.27Å; N61-N65 PolarHBondContact ND2-ND2 3.25Å; N61-N65 PolarHBondContact O-N 2.67Å; N61-N65 VanDerWaalsContact O-N 3.11Å; N61-N65 PolarHBondContact O-ND2 3.03Å; S62-N65 PolarHBondContact O-N 3.1Å; F63-N65 VanDerWaalsContact C-N 3.32Å; F63-N65 PolarHBondContact O-N 3.24Å; N65-M67 VanDerWaalsContact C-N 3.34Å; N65-M67 PolarHBondContact O-N 2.96Å; N65-F68 WeakPolarHBondContact O-CB 3.37Å; N65-F68 PolarHBondContact O-N 3.3Å; N65-D69 PolarHBondContact O-N 3.12Å
66	D	97.5	Very high	97.2	Very high	83 Å²	83	66.8 Å²	66.8	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-45.9	176.2	178.2	66.8	0	0	0	111.4	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.1Å; F63-D66 PolarHBondContact O-N 3.28Å; D66-F68 VanDerWaalsContact C-N 3.34Å; D66-F68 PolarHBondContact O-N 3.43Å; D66-D69 PolarHBondContact O-N 3.38Å; D66-R70 WeakPolarHBondContact O-CB 3.43Å; D66-R70 VanDerWaalsContact O-CG 3.23Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 3.08Å; D66-R70 WeakPolarHBondContact OD2-CD 3.07Å
67	M	97	Very high	97.2	Very high	25 Å²	25	72.2 Å²	72.2	12%	0.123	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-40.6	176.6	-71.5	-56	-51.9	0	0	112.6	F63 V64 N65 R70 I71 L100	F63-M67 HydrophobicContact CD1-CG 4.41Å; F63-M67 HydrophobicContact CD2-CG 4.44Å; F63-M67 HydrophobicContact CE1-CG 3.96Å; F63-M67 HydrophobicContact CE2-CG 3.99Å; F63-M67 HydrophobicContact CE2-SD 4.23Å; F63-M67 HydrophobicContact CZ-CG 3.73Å; F63-M67 HydrophobicContact CZ-SD 4.13Å; F63-M67 WeakPolarHBondContact O-CG 3.48Å; F63-M67 PolarHBondContact O-N 3.14Å; V64-M67 PolarHBondContact O-N 3.38Å; N65-M67 VanDerWaalsContact C-N 3.34Å; N65-M67 PolarHBondContact O-N 2.96Å; M67-R70 PolarHBondContact SD-NH1 3.34Å; M67-I71 WeakPolarHBondContact O-CB 3.45Å; M67-I71 WeakPolarHBondContact O-CD1 3.3Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.38Å; M67-I71 PolarHBondContact O-N 3.11Å; M67-L100 HydrophobicContact CE-CD2 3.7Å
68	F	97.1	Very high	97.4	Very high	127 Å²	127	71.8 Å²	71.8	56%	0.557	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-49.6	176	175.2	-94.2	0	0	0	111.4	V64 N65 D66 R70 I71 A72	V64-F68 WeakPolarHBondContact O-CB 3.37Å; V64-F68 PolarHBondContact O-N 3.36Å; N65-F68 WeakPolarHBondContact O-CB 3.37Å; N65-F68 PolarHBondContact O-N 3.3Å; D66-F68 VanDerWaalsContact C-N 3.34Å; D66-F68 PolarHBondContact O-N 3.43Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 2.95Å; F68-I71 PolarHBondContact O-N 3.47Å; F68-A72 VanDerWaalsContact O-CB 3.29Å; F68-A72 WeakPolarHBondContact O-CB 3.43Å; F68-A72 PolarHBondContact O-N 2.91Å
69	D	97.6	Very high	97.5	Very high	93 Å²	93	63.3 Å²	63.3	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-39	-179.2	-72.7	-23.3	0	0	0	111.5	N65 D66 S73	N65-D69 PolarHBondContact O-N 3.12Å; D66-D69 PolarHBondContact O-N 3.38Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 2.99Å; D69-S73 PolarHBondContact O-OG 3.21Å
70	R	98.2	Very high	97.4	Very high	97 Å²	97	65.2 Å²	65.2	37%	0.366	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-49.1	174.5	-72.5	175.4	68.4	-141.7	-2.6	111.6	D66 M67 F68 S73 E74 L99	D66-R70 WeakPolarHBondContact O-CB 3.43Å; D66-R70 VanDerWaalsContact O-CG 3.23Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 3.08Å; D66-R70 WeakPolarHBondContact OD2-CD 3.07Å; M67-R70 PolarHBondContact SD-NH1 3.34Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 2.95Å; R70-S73 PolarHBondContact O-N 2.9Å; R70-E74 WeakPolarHBondContact O-CB 3.23Å; R70-E74 PolarHBondContact O-N 3.41Å; R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 4.02Å; R70-L99 HydrophobicContact CB-CD2 4.21Å
71	I	98	Very high	97.4	Very high	37 Å²	37	69.3 Å²	69.3	19%	0.19	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-45.6	178.9	-67.6	164.5	0	0	0	110.8	M67 F68 S73 E74 A75 I92 A95 V96 L99	M67-I71 WeakPolarHBondContact O-CB 3.45Å; M67-I71 WeakPolarHBondContact O-CD1 3.3Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.38Å; M67-I71 PolarHBondContact O-N 3.11Å; F68-I71 PolarHBondContact O-N 3.47Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.42Å; I71-E74 PolarHBondContact O-N 3.46Å; I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.47Å; I71-I92 HydrophobicContact CG2-CD1 4.34Å; I71-I92 HydrophobicContact CG2-CG2 4.4Å; I71-A95 HydrophobicContact CG2-CB 4.31Å; I71-V96 HydrophobicContact CD1-CG2 4.19Å; I71-V96 HydrophobicContact CG1-CG2 4.43Å; I71-V96 HydrophobicContact CG2-CG2 4.34Å; I71-L99 VanDerWaalsContact CA-CD1 3.44Å; I71-L99 HydrophobicContact CB-CD1 4.1Å; I71-L99 HydrophobicContact CG1-CD1 3.54Å
72	A	97.8	Very high	97.3	Very high	34 Å²	34	71.3 Å²	71.3	28%	0.281	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-41.8	-179.8	0	0	0	0	0	111.6	F68 S76	F68-A72 VanDerWaalsContact O-CB 3.29Å; F68-A72 WeakPolarHBondContact O-CB 3.43Å; F68-A72 PolarHBondContact O-N 2.91Å; A72-S76 WeakPolarHBondContact O-CB 3.46Å; A72-S76 PolarHBondContact O-N 2.71Å
73	S	98.1	Very high	97.2	Very high	65 Å²	65	77.4 Å²	77.4	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-46.4	177	-62.8	0	0	0	0	111.7	D69 R70 I71 S76 R77	D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 2.99Å; D69-S73 PolarHBondContact O-OG 3.21Å; R70-S73 PolarHBondContact O-N 2.9Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.42Å; S73-S76 PolarHBondContact O-N 3.32Å; S73-R77 WeakPolarHBondContact O-CG 3.45Å; S73-R77 PolarHBondContact O-N 3.15Å; S73-R77 VanDerWaalsContact O-N 3.09Å
74	E	98	Very high	97	Very high	44 Å²	44	78.2 Å²	78.2	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-70	-41.3	-179.4	-167.9	58.4	-152.4	0	0	111.8	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.23Å; R70-E74 PolarHBondContact O-N 3.41Å; I71-E74 PolarHBondContact O-N 3.46Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.04Å; E74-R77 PolarHBondContact O-N 3.02Å; E74-R77 IonicContact OE2-NH1 2.85Å; E74-L78 WeakPolarHBondContact O-CG 3.39Å; E74-L78 PolarHBondContact O-N 3.45Å; E74-A95 HydrophobicContact CB-CB 3.9Å; E74-A95 HydrophobicContact CG-CB 4.02Å; E74-L98 HydrophobicContact CG-CB 4.38Å; E74-L98 HydrophobicContact CG-CD1 3.92Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.44Å; E74-L99 HydrophobicContact CB-CD1 4.23Å
75	A	98	Very high	96.8	Very high	0 Å²	0	85.4 Å²	85.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-36.3	175.5	0	0	0	0	0	112.2	I71 L78 A79 I87 E91 I92 A95	I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 3.16Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.26Å; A75-I87 HydrophobicContact CB-CG2 3.81Å; A75-E91 HydrophobicContact CB-CB 4.42Å; A75-I92 HydrophobicContact CB-CD1 3.64Å; A75-I92 HydrophobicContact CB-CG1 4.41Å; A75-A95 HydrophobicContact CB-CB 3.89Å
76	S	97.7	Very high	96.9	Very high	42 Å²	42	87.9 Å²	87.9	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-62.9	-45.3	173.8	-177.5	0	0	0	0	111.6	A72 S73 E74 L78 A79 Q80	A72-S76 WeakPolarHBondContact O-CB 3.46Å; A72-S76 PolarHBondContact O-N 2.71Å; S73-S76 PolarHBondContact O-N 3.32Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.04Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.98Å; S76-A79 PolarHBondContact O-N 3.33Å; S76-Q80 WeakPolarHBondContact O-CB 3.39Å; S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.39Å; S76-Q80 PolarHBondContact O-N 3.25Å
77	R	97.4	Very high	96.8	Very high	162 Å²	162	87.5 Å²	87.5	61%	0.611	43%	0.426	S	S	*	.	H	α-helix	trans	-59.8	-42.8	174.9	-71.4	172.3	177.8	179.6	-2.5	112	S73 E74 Q80 H81	S73-R77 WeakPolarHBondContact O-CG 3.45Å; S73-R77 PolarHBondContact O-N 3.15Å; S73-R77 VanDerWaalsContact O-N 3.09Å; E74-R77 PolarHBondContact O-N 3.02Å; E74-R77 IonicContact OE2-NH1 2.85Å; R77-Q80 PolarHBondContact O-N 2.97Å; R77-H81 WeakPolarHBondContact O-CB 3.29Å; R77-H81 PolarHBondContact O-N 3.07Å
78	L	97.7	Very high	96.7	Very high	43 Å²	43	87.6 Å²	87.6	23%	0.225	43%	0.434	C	S	.	.	H	α-helix	trans	-64.8	-40	177	-70.4	168.7	0	0	0	112.6	E74 A75 S76 H81 S82 E91 A94 A95 L98	E74-L78 WeakPolarHBondContact O-CG 3.39Å; E74-L78 PolarHBondContact O-N 3.45Å; A75-L78 PolarHBondContact O-N 3.16Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.98Å; L78-H81 PolarHBondContact O-N 3.21Å; L78-S82 PolarHBondContact O-N 2.8Å; L78-S82 PolarHBondContact O-OG 3.03Å; L78-S82 VanDerWaalsContact O-OG 3.11Å; L78-E91 HydrophobicContact CB-CB 4.23Å; L78-E91 HydrophobicContact CB-CG 4.11Å; L78-E91 WeakPolarHBondContact CD1-O 3.47Å; L78-A94 HydrophobicContact CD1-CB 3.7Å; L78-A95 HydrophobicContact CD1-CB 4.18Å; L78-L98 HydrophobicContact CD1-CD1 4.26Å
79	A	97.5	Very high	96.6	Very high	3 Å²	3	84 Å²	84	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-64	-44.3	175	0	0	0	0	0	111.3	A75 S76 H81 S82 K83 R84 I87 E91	A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.26Å; S76-A79 PolarHBondContact O-N 3.33Å; A79-H81 PolarHBondContact O-N 3.05Å; A79-S82 CarbonylContact O-C 3.44Å; A79-S82 PolarHBondContact O-N 3.25Å; A79-S82 VanDerWaalsContact O-N 3.14Å; A79-K83 PolarHBondContact O-N 3.39Å; A79-R84 CarbonylContact C-O 3.52Å; A79-R84 PolarHBondContact O-N 3.04Å; A79-I87 HydrophobicContact CB-CG1 4.11Å; A79-E91 HydrophobicContact CB-CG 4.11Å
80	Q	96.7	Very high	96.4	Very high	132 Å²	132	89 Å²	89	62%	0.617	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-41.5	176.3	-73.1	176.1	-7	0	0	112.3	S76 R77 S82 K83	S76-Q80 WeakPolarHBondContact O-CB 3.39Å; S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.39Å; S76-Q80 PolarHBondContact O-N 3.25Å; R77-Q80 PolarHBondContact O-N 2.97Å; Q80-S82 PolarHBondContact O-N 3.47Å; Q80-K83 WeakPolarHBondContact O-CA 3.28Å; Q80-K83 PolarHBondContact O-N 3.14Å
81	H	96.1	Very high	96.3	Very high	168 Å²	168	84.8 Å²	84.8	78%	0.778	42%	0.424	S	S	*	.	H	α-helix	trans	-59.4	-35.4	175	-170.7	75.9	0	0	0	111.8	R77 L78 A79 K83	R77-H81 WeakPolarHBondContact O-CB 3.29Å; R77-H81 PolarHBondContact O-N 3.07Å; L78-H81 PolarHBondContact O-N 3.21Å; A79-H81 PolarHBondContact O-N 3.05Å; H81-K83 PolarHBondContact O-N 3.18Å
82	S	94	Very high	96.3	Very high	60 Å²	60	86.3 Å²	86.3	42%	0.42	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	7.7	176	-53.5	0	0	0	0	113.8	L78 A79 Q80 R84	L78-S82 PolarHBondContact O-N 2.8Å; L78-S82 PolarHBondContact O-OG 3.03Å; L78-S82 VanDerWaalsContact O-OG 3.11Å; A79-S82 CarbonylContact O-C 3.44Å; A79-S82 PolarHBondContact O-N 3.25Å; A79-S82 VanDerWaalsContact O-N 3.14Å; Q80-S82 PolarHBondContact O-N 3.47Å; S82-R84 PolarHBondContact O-N 3.34Å
83	K	94.7	Very high	96.2	Very high	191 Å²	191	87 Å²	87	83%	0.83	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.9	-175.7	-57.1	176.5	-179.4	177.8	0	113.6	A79 Q80 H81	A79-K83 PolarHBondContact O-N 3.39Å; Q80-K83 WeakPolarHBondContact O-CA 3.28Å; Q80-K83 PolarHBondContact O-N 3.14Å; H81-K83 PolarHBondContact O-N 3.18Å
84	R	94.3	Very high	96.2	Very high	132 Å²	132	85.4 Å²	85.4	50%	0.498	42%	0.42	S	S	.	.			trans	-103.4	141.8	176.2	-63.8	-172.2	179.7	129.7	2.6	110.6	A79 S82 E91	A79-R84 CarbonylContact C-O 3.52Å; A79-R84 PolarHBondContact O-N 3.04Å; S82-R84 PolarHBondContact O-N 3.34Å; R84-E91 IonicContact NH1-OE1 3.81Å; R84-E91 PolarHBondContact NH1-OE1 3.37Å
85	H	94	Very high	96.1	Very high	196 Å²	196	83.3 Å²	83.3	91%	0.907	41%	0.41	S	S	*	.	S	Bend	trans	-91.7	-10.2	172.1	-65.2	-72.1	0	0	0	113.2
86	T	96.7	Very high	96.1	Very high	111 Å²	111	84.1 Å²	84.1	68%	0.681	42%	0.415	S	S	*	.	S	Bend	trans	-113.4	127.2	-179.8	-52.9	0	0	0	0	109.2	G88	T86-G88 PolarHBondContact O-N 3.08Å
87	I	96.7	Very high	96.1	Very high	75 Å²	75	88.3 Å²	88.3	39%	0.385	42%	0.424	S	S	.	.			trans	-77.4	117	173.7	-58.7	174.3	0	0	0	107.9	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.81Å; A79-I87 HydrophobicContact CB-CG1 4.11Å; I87-E91 HydrophobicContact CG2-CB 4.07Å; I87-I92 HydrophobicContact CG2-CD1 3.73Å; I87-I92 HydrophobicContact CG2-CG1 3.81Å
88	G	94.8	Very high	96.1	Very high	28 Å²	28	86 Å²	86	29%	0.289	42%	0.423	S	S	.	.			trans	-92.2	173.4	175.7	0	0	0	0	0	112.5	T86 R90 E91 I92	T86-G88 PolarHBondContact O-N 3.08Å; G88-R90 PolarHBondContact O-N 3.15Å; G88-E91 WeakPolarHBondContact CA-OE2 3.42Å; G88-E91 PolarHBondContact N-OE2 3.19Å; G88-E91 PolarHBondContact O-N 3.13Å; G88-I92 PolarHBondContact O-N 2.78Å
89	A	94.1	Very high	96.1	Very high	51 Å²	51	85.6 Å²	85.6	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-58.6	-32.4	175.6	0	0	0	0	0	112.1	I92 Q93	A89-I92 PolarHBondContact O-N 2.79Å; A89-Q93 WeakPolarHBondContact O-CB 3.36Å; A89-Q93 VanDerWaalsContact O-CG 3.23Å; A89-Q93 WeakPolarHBondContact O-CG 3.42Å; A89-Q93 PolarHBondContact O-N 3.06Å
90	R	93.6	Very high	96.1	Very high	197 Å²	197	87.1 Å²	87.1	74%	0.743	43%	0.429	S	S	*	.	H	α-helix	trans	-65.6	-44.5	179.5	-175.3	174.2	177.6	158.5	1.3	112	G88 I92 Q93 A94	G88-R90 PolarHBondContact O-N 3.15Å; R90-I92 VanDerWaalsContact C-N 3.34Å; R90-Q93 PolarHBondContact O-N 3.4Å; R90-A94 WeakPolarHBondContact O-CB 3.41Å; R90-A94 PolarHBondContact O-N 3.43Å
91	E	96.6	Very high	96.1	Very high	10 Å²	10	85.3 Å²	85.3	5%	0.047	43%	0.428	C	S	.	.	H	α-helix	trans	-65.4	-39.4	178.3	-68.6	75.3	-164.3	0	0	111.1	A75 L78 A79 R84 I87 G88 A94 A95	A75-E91 HydrophobicContact CB-CB 4.42Å; L78-E91 HydrophobicContact CB-CB 4.23Å; L78-E91 HydrophobicContact CB-CG 4.11Å; L78-E91 WeakPolarHBondContact CD1-O 3.47Å; A79-E91 HydrophobicContact CB-CG 4.11Å; R84-E91 IonicContact NH1-OE1 3.81Å; R84-E91 PolarHBondContact NH1-OE1 3.37Å; I87-E91 HydrophobicContact CG2-CB 4.07Å; G88-E91 WeakPolarHBondContact CA-OE2 3.42Å; G88-E91 PolarHBondContact N-OE2 3.19Å; G88-E91 PolarHBondContact O-N 3.13Å; E91-A94 PolarHBondContact O-N 3Å; E91-A95 VanDerWaalsContact O-CB 3.32Å; E91-A95 WeakPolarHBondContact O-CB 3.49Å; E91-A95 PolarHBondContact O-N 3.04Å
92	I	97	Very high	96	Very high	68 Å²	68	79.9 Å²	79.9	35%	0.349	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-48.1	174.1	-61.9	-70.6	0	0	0	111.3	I71 A75 I87 G88 A89 R90 A94 A95 V96	I71-I92 HydrophobicContact CG2-CD1 4.34Å; I71-I92 HydrophobicContact CG2-CG2 4.4Å; A75-I92 HydrophobicContact CB-CD1 3.64Å; A75-I92 HydrophobicContact CB-CG1 4.41Å; I87-I92 HydrophobicContact CG2-CD1 3.73Å; I87-I92 HydrophobicContact CG2-CG1 3.81Å; G88-I92 PolarHBondContact O-N 2.78Å; A89-I92 PolarHBondContact O-N 2.79Å; R90-I92 VanDerWaalsContact C-N 3.34Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.31Å; I92-A95 WeakPolarHBondContact O-CB 3.32Å; I92-A95 PolarHBondContact O-N 3.21Å; I92-V96 HydrophobicContact CG2-CG2 4.49Å; I92-V96 WeakPolarHBondContact O-CG2 3.34Å; I92-V96 PolarHBondContact O-N 2.98Å
93	Q	96.9	Very high	96.2	Very high	48 Å²	48	83 Å²	83	22%	0.224	43%	0.426	C	S	.	.	H	α-helix	trans	-61.5	-40.4	179.2	-72.2	171.9	14.1	0	0	112.2	A89 R90 R97 V109	A89-Q93 WeakPolarHBondContact O-CB 3.36Å; A89-Q93 VanDerWaalsContact O-CG 3.23Å; A89-Q93 WeakPolarHBondContact O-CG 3.42Å; A89-Q93 PolarHBondContact O-N 3.06Å; R90-Q93 PolarHBondContact O-N 3.4Å; Q93-R97 WeakPolarHBondContact O-CG 3.47Å; Q93-R97 PolarHBondContact O-N 3.4Å; Q93-V109 HydrophobicContact CB-CG1 4.33Å; Q93-V109 HydrophobicContact CB-CG2 4.42Å; Q93-V109 HydrophobicContact CG-CG1 4.06Å
94	A	97.1	Very high	96.3	Very high	32 Å²	32	78.6 Å²	78.6	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-43.9	175.4	0	0	0	0	0	111.5	L78 R90 E91 I92 V96 R97 L98	L78-A94 HydrophobicContact CD1-CB 3.7Å; R90-A94 WeakPolarHBondContact O-CB 3.41Å; R90-A94 PolarHBondContact O-N 3.43Å; E91-A94 PolarHBondContact O-N 3Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.31Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 3.49Å; A94-R97 PolarHBondContact O-N 3.4Å; A94-R97 VanDerWaalsContact O-N 3.13Å; A94-L98 WeakPolarHBondContact O-CG 3.24Å; A94-L98 PolarHBondContact O-N 2.94Å
95	A	97.8	Very high	96.4	Very high	0 Å²	0	73 Å²	73	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-57.7	-43.2	175.2	0	0	0	0	0	112.4	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.31Å; E74-A95 HydrophobicContact CB-CB 3.9Å; E74-A95 HydrophobicContact CG-CB 4.02Å; A75-A95 HydrophobicContact CB-CB 3.89Å; L78-A95 HydrophobicContact CD1-CB 4.18Å; E91-A95 VanDerWaalsContact O-CB 3.32Å; E91-A95 WeakPolarHBondContact O-CB 3.49Å; E91-A95 PolarHBondContact O-N 3.04Å; I92-A95 WeakPolarHBondContact O-CB 3.32Å; I92-A95 PolarHBondContact O-N 3.21Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.38Å; A95-L98 PolarHBondContact O-N 3.24Å; A95-L98 VanDerWaalsContact O-N 3.15Å; A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 3.27Å
96	V	98	Very high	96.6	Very high	17 Å²	17	69 Å²	69	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-42.3	176.1	171.2	0	0	0	0	111.4	I71 I92 A94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.19Å; I71-V96 HydrophobicContact CG1-CG2 4.43Å; I71-V96 HydrophobicContact CG2-CG2 4.34Å; I92-V96 HydrophobicContact CG2-CG2 4.49Å; I92-V96 WeakPolarHBondContact O-CG2 3.34Å; I92-V96 PolarHBondContact O-N 2.98Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 3.49Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 2.91Å; V96-L99 PolarHBondContact O-N 3.24Å; V96-L100 HydrophobicContact CG1-CD1 3.77Å; V96-L100 HydrophobicContact CG1-CG 4.37Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 PolarHBondContact O-N 2.94Å; V96-A108 HydrophobicContact CG1-CB 3.72Å; V96-V109 HydrophobicContact CB-CG2 4.36Å; V96-V109 HydrophobicContact CG1-CG2 4.07Å
97	R	97.2	Very high	96.6	Very high	131 Å²	131	68.3 Å²	68.3	49%	0.494	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-26.6	176.2	-69.9	178.9	-179.3	118.6	-8.3	113.8	Q93 A94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.47Å; Q93-R97 PolarHBondContact O-N 3.4Å; A94-R97 PolarHBondContact O-N 3.4Å; A94-R97 VanDerWaalsContact O-N 3.13Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.38Å; R97-V109 HydrophobicContact CG-CG2 3.92Å
98	L	97.2	Very high	96.6	Very high	112 Å²	112	66.5 Å²	66.5	59%	0.586	36%	0.36	S	S	*	.	H	α-helix	trans	-80.9	-29.6	175.8	-67.6	173.1	0	0	0	112.6	E74 L78 A94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.38Å; E74-L98 HydrophobicContact CG-CD1 3.92Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.44Å; L78-L98 HydrophobicContact CD1-CD1 4.26Å; A94-L98 WeakPolarHBondContact O-CG 3.24Å; A94-L98 PolarHBondContact O-N 2.94Å; A95-L98 PolarHBondContact O-N 3.24Å; A95-L98 VanDerWaalsContact O-N 3.15Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 2.91Å
99	L	97.7	Very high	96.7	Very high	35 Å²	35	65.4 Å²	65.4	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-95.5	-27	-173.5	-68.2	168.2	0	0	0	114.4	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 4.02Å; R70-L99 HydrophobicContact CB-CD2 4.21Å; I71-L99 VanDerWaalsContact CA-CD1 3.44Å; I71-L99 HydrophobicContact CB-CD1 4.1Å; I71-L99 HydrophobicContact CG1-CD1 3.54Å; E74-L99 HydrophobicContact CB-CD1 4.23Å; A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 3.27Å; V96-L99 PolarHBondContact O-N 3.24Å
100	L	96.9	Very high	96.9	Very high	36 Å²	36	67.5 Å²	67.5	19%	0.188	35%	0.352	C	S	.	.	S	Bend	trans	-107	143.6	-177.3	-60.9	-177	0	0	0	111.6	M67 V96 L104 S105 A108	M67-L100 HydrophobicContact CE-CD2 3.7Å; V96-L100 HydrophobicContact CG1-CD1 3.77Å; V96-L100 HydrophobicContact CG1-CG 4.37Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 PolarHBondContact O-N 2.94Å; L100-L104 HydrophobicContact CB-CG 4.47Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD2 4.17Å; L100-S105 WeakPolarHBondContact O-CB 3.43Å; L100-A108 HydrophobicContact CD1-CB 3.82Å
101	P	96.7	Very high	97	Very high	93 Å²	93	63.6 Å²	63.6	60%	0.604	34%	0.342	S	S	*	.			trans	-76.9	142.6	178.8	30.9	-35.4	0	0	0	112.4	E103 L104 S105	P101-E103 PolarHBondContact O-N 2.98Å; P101-L104 WeakPolarHBondContact O-CB 3.29Å; P101-L104 PolarHBondContact O-N 3.23Å; P101-L104 VanDerWaalsContact O-N 3.12Å; P101-S105 PolarHBondContact O-N 3.44Å
102	G	94.5	Very high	96.9	Very high	54 Å²	54	64.6 Å²	64.6	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	39.8	-123.9	159.3	0	0	0	0	0	115.8	L104 S105 M106	G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.94Å; G102-S105 WeakPolarHBondContact O-CB 3.5Å; G102-S105 PolarHBondContact O-N 3.27Å; G102-S105 VanDerWaalsContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.83Å; G102-M106 PolarHBondContact O-N 3.27Å
103	E	97.3	Very high	96.9	Very high	125 Å²	125	64 Å²	64	58%	0.584	35%	0.352	S	S	*	.	H	α-helix	trans	-59.4	-34.4	-176.2	-166.5	-175.6	169.9	0	0	113.5	P101 S105 M106 H107	P101-E103 PolarHBondContact O-N 2.98Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.34Å; E103-M106 HydrophobicContact CB-CE 4.12Å; E103-M106 HydrophobicContact CG-CE 4.06Å; E103-M106 WeakPolarHBondContact O-CB 3.36Å; E103-M106 PolarHBondContact O-N 2.93Å; E103-M106 VanDerWaalsContact O-N 3.1Å; E103-H107 WeakPolarHBondContact CG-NE2 3.49Å; E103-H107 PolarHBondContact O-CD2 3.42Å; E103-H107 PolarHBondContact O-N 3.41Å; E103-H107 IonicContact OE1-CD2 3.66Å; E103-H107 IonicContact OE1-CE1 2.81Å; E103-H107 IonicContact OE1-NE2 3.55Å; E103-H107 PolarHBondContact OE1-NE2 3.02Å
104	L	96.6	Very high	96.8	Very high	100 Å²	100	68.2 Å²	68.2	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-39.1	177.2	-177	61.6	0	0	0	111.5	L100 P101 G102 M106 A108	L100-L104 HydrophobicContact CB-CG 4.47Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD2 4.17Å; P101-L104 WeakPolarHBondContact O-CB 3.29Å; P101-L104 PolarHBondContact O-N 3.23Å; P101-L104 VanDerWaalsContact O-N 3.12Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.94Å; L104-M106 VanDerWaalsContact C-N 3.33Å; L104-A108 VanDerWaalsContact O-CB 3.27Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.73Å
105	S	97.5	Very high	96.6	Very high	14 Å²	14	71.2 Å²	71.2	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-36.6	175.5	79.1	0	0	0	0	112.5	L100 P101 G102 E103 V109	L100-S105 WeakPolarHBondContact O-CB 3.43Å; P101-S105 PolarHBondContact O-N 3.44Å; G102-S105 WeakPolarHBondContact O-CB 3.5Å; G102-S105 PolarHBondContact O-N 3.27Å; G102-S105 VanDerWaalsContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.83Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.34Å; S105-V109 VanDerWaalsContact O-CG2 3.3Å; S105-V109 WeakPolarHBondContact O-CG2 3.49Å; S105-V109 PolarHBondContact O-N 3.45Å; S105-V109 VanDerWaalsContact O-N 3.08Å
106	M	97	Very high	96.4	Very high	111 Å²	111	73.8 Å²	73.8	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-49.2	179.4	-62.5	-166.3	-68.8	0	0	110.8	G102 E103 L104 A108 V109 N110	G102-M106 PolarHBondContact O-N 3.27Å; E103-M106 HydrophobicContact CB-CE 4.12Å; E103-M106 HydrophobicContact CG-CE 4.06Å; E103-M106 WeakPolarHBondContact O-CB 3.36Å; E103-M106 PolarHBondContact O-N 2.93Å; E103-M106 VanDerWaalsContact O-N 3.1Å; L104-M106 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 3.44Å; M106-V109 PolarHBondContact O-N 3.43Å; M106-N110 PolarHBondContact O-N 2.9Å; M106-N110 PolarHBondContact O-ND2 3.38Å
107	H	97.2	Very high	96.2	Very high	98 Å²	98	77 Å²	77	45%	0.454	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-44.4	177.2	-71.8	-52.2	0	0	0	112.1	E103 V109 N110 E111	E103-H107 WeakPolarHBondContact CG-NE2 3.49Å; E103-H107 PolarHBondContact O-CD2 3.42Å; E103-H107 PolarHBondContact O-N 3.41Å; E103-H107 IonicContact OE1-CD2 3.66Å; E103-H107 IonicContact OE1-CE1 2.81Å; E103-H107 IonicContact OE1-NE2 3.55Å; E103-H107 PolarHBondContact OE1-NE2 3.02Å; H107-V109 VanDerWaalsContact C-N 3.31Å; H107-V109 PolarHBondContact O-N 3.04Å; H107-N110 PolarHBondContact O-N 2.97Å; H107-E111 WeakPolarHBondContact O-CG 3.23Å; H107-E111 PolarHBondContact O-N 2.93Å
108	A	96.8	Very high	96.1	Very high	37 Å²	37	78 Å²	78	31%	0.306	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-40.8	178.4	0	0	0	0	0	112.5	V96 L100 L104 M106 G112	V96-A108 HydrophobicContact CG1-CB 3.72Å; L100-A108 HydrophobicContact CD1-CB 3.82Å; L104-A108 VanDerWaalsContact O-CB 3.27Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.73Å; M106-A108 PolarHBondContact O-N 3.44Å; A108-G112 PolarHBondContact O-N 2.85Å
109	V	97.5	Very high	96	Very high	4 Å²	4	79 Å²	79	2%	0.024	42%	0.421	C	S	.	.	H	α-helix	trans	-69.5	-42	176.6	172.3	0	0	0	0	111.7	Q93 V96 R97 S105 M106 H107 G112 I113	Q93-V109 HydrophobicContact CB-CG1 4.33Å; Q93-V109 HydrophobicContact CB-CG2 4.42Å; Q93-V109 HydrophobicContact CG-CG1 4.06Å; V96-V109 HydrophobicContact CB-CG2 4.36Å; V96-V109 HydrophobicContact CG1-CG2 4.07Å; R97-V109 HydrophobicContact CG-CG2 3.92Å; S105-V109 VanDerWaalsContact O-CG2 3.3Å; S105-V109 WeakPolarHBondContact O-CG2 3.49Å; S105-V109 PolarHBondContact O-N 3.45Å; S105-V109 VanDerWaalsContact O-N 3.08Å; M106-V109 PolarHBondContact O-N 3.43Å; H107-V109 VanDerWaalsContact C-N 3.31Å; H107-V109 PolarHBondContact O-N 3.04Å; V109-G112 PolarHBondContact O-N 3.46Å; V109-I113 HydrophobicContact CG1-CD1 3.69Å; V109-I113 HydrophobicContact CG1-CG1 4.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.46Å; V109-I113 PolarHBondContact O-N 2.85Å
110	N	97.1	Very high	95.7	Very high	95 Å²	95	82.8 Å²	82.8	51%	0.508	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-45.2	178.8	-69.5	-17.1	0	0	0	111.8	M106 H107 G112 I113 K114	M106-N110 PolarHBondContact O-N 2.9Å; M106-N110 PolarHBondContact O-ND2 3.38Å; H107-N110 PolarHBondContact O-N 2.97Å; N110-G112 VanDerWaalsContact C-N 3.32Å; N110-G112 PolarHBondContact O-N 3.41Å; N110-I113 PolarHBondContact O-N 3.43Å; N110-K114 PolarHBondContact O-N 2.9Å
111	E	95.5	Very high	95.6	Very high	115 Å²	115	87.6 Å²	87.6	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-61.9	-41.4	174.2	-71.3	-60.5	157	0	0	111.3	H107 I113 K114 V115	H107-E111 WeakPolarHBondContact O-CG 3.23Å; H107-E111 PolarHBondContact O-N 2.93Å; E111-I113 PolarHBondContact O-N 3.25Å; E111-K114 PolarHBondContact O-N 2.92Å; E111-V115 WeakPolarHBondContact O-CG2 3.21Å; E111-V115 PolarHBondContact O-N 3.26Å; E111-V115 VanDerWaalsContact O-N 3.15Å
112	G	95.5	Very high	95.3	Very high	32 Å²	32	88.5 Å²	88.5	33%	0.33	47%	0.47	S	S	.	.	H	α-helix	trans	-59.8	-45.8	175.1	0	0	0	0	0	113.2	A108 V109 N110 V115 V116	A108-G112 PolarHBondContact O-N 2.85Å; V109-G112 PolarHBondContact O-N 3.46Å; N110-G112 VanDerWaalsContact C-N 3.32Å; N110-G112 PolarHBondContact O-N 3.41Å; G112-V115 PolarHBondContact O-N 3.22Å; G112-V116 WeakPolarHBondContact O-CG2 3.15Å; G112-V116 PolarHBondContact O-N 3.01Å
113	I	96.1	Very high	94	Very high	54 Å²	54	95.4 Å²	95.4	28%	0.277	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-49.3	177.9	-70.6	165.2	0	0	0	110.3	V109 N110 E111 V115 V116 D117	V109-I113 HydrophobicContact CG1-CD1 3.69Å; V109-I113 HydrophobicContact CG1-CG1 4.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.46Å; V109-I113 PolarHBondContact O-N 2.85Å; N110-I113 PolarHBondContact O-N 3.43Å; E111-I113 PolarHBondContact O-N 3.25Å; I113-V115 VanDerWaalsContact C-N 3.26Å; I113-V115 PolarHBondContact O-N 3.39Å; I113-V116 PolarHBondContact O-N 3.36Å; I113-V116 VanDerWaalsContact O-N 3.08Å; I113-D117 WeakPolarHBondContact CG2-OD2 3.2Å; I113-D117 VanDerWaalsContact O-CG 3.27Å; I113-D117 PolarHBondContact O-N 3.46Å
114	K	95.4	Very high	93.8	Very high	138 Å²	138	93.9 Å²	93.9	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-55.2	-41.3	179.4	-176.6	-177	179.5	-177.9	0	112.6	N110 E111 K118	N110-K114 PolarHBondContact O-N 2.9Å; E111-K114 PolarHBondContact O-N 2.92Å; K114-K118 WeakPolarHBondContact O-CB 3.19Å; K114-K118 PolarHBondContact O-N 2.72Å
115	V	93.2	Very high	93.7	Very high	95 Å²	95	93.6 Å²	93.6	58%	0.576	48%	0.477	S	S	*	.	H	α-helix	trans	-70.6	-41.2	178.6	175	0	0	0	0	111.5	E111 G112 I113 K118 Y119	E111-V115 WeakPolarHBondContact O-CG2 3.21Å; E111-V115 PolarHBondContact O-N 3.26Å; E111-V115 VanDerWaalsContact O-N 3.15Å; G112-V115 PolarHBondContact O-N 3.22Å; I113-V115 VanDerWaalsContact C-N 3.26Å; I113-V115 PolarHBondContact O-N 3.39Å; V115-K118 PolarHBondContact O-N 3.29Å; V115-Y119 PolarHBondContact O-N 2.93Å
116	V	93.7	Very high	93.5	Very high	54 Å²	54	98 Å²	98	33%	0.327	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-45.6	176.2	172	0	0	0	0	110.7	G112 I113 K118 Y119 M120	G112-V116 WeakPolarHBondContact O-CG2 3.15Å; G112-V116 PolarHBondContact O-N 3.01Å; I113-V116 PolarHBondContact O-N 3.36Å; I113-V116 VanDerWaalsContact O-N 3.08Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.5Å; V116-Y119 WeakPolarHBondContact O-CB 3.49Å; V116-Y119 PolarHBondContact O-N 2.9Å; V116-Y119 VanDerWaalsContact O-N 3.12Å; V116-M120 HydrophobicContact CG1-CE 4.31Å; V116-M120 HydrophobicContact CG1-CG 4.42Å; V116-M120 WeakPolarHBondContact O-CG 3.39Å; V116-M120 PolarHBondContact O-N 2.94Å
117	D	94.3	Very high	93.3	Very high	83 Å²	83	97.2 Å²	97.2	44%	0.444	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-44.7	178.3	-67	-16.8	0	0	0	111.2	I113 Y119 M120 N121	I113-D117 WeakPolarHBondContact CG2-OD2 3.2Å; I113-D117 VanDerWaalsContact O-CG 3.27Å; I113-D117 PolarHBondContact O-N 3.46Å; D117-Y119 VanDerWaalsContact C-N 3.3Å; D117-Y119 PolarHBondContact O-N 3.11Å; D117-M120 PolarHBondContact O-N 3.14Å; D117-N121 WeakPolarHBondContact O-CB 3.49Å; D117-N121 VanDerWaalsContact O-CG 3.3Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 3.43Å
118	K	95.1	Very high	93	Very high	152 Å²	152	97.2 Å²	97.2	66%	0.661	50%	0.498	S	S	*	.	H	α-helix	trans	-58.2	-42.8	174.4	-178.4	178.4	177.9	-179.7	0	111.7	K114 V115 V116 N121 T122	K114-K118 WeakPolarHBondContact O-CB 3.19Å; K114-K118 PolarHBondContact O-N 2.72Å; V115-K118 PolarHBondContact O-N 3.29Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.5Å; K118-N121 PolarHBondContact O-N 3.44Å; K118-T122 WeakPolarHBondContact O-CB 3.5Å; K118-T122 PolarHBondContact O-N 2.91Å; K118-T122 VanDerWaalsContact O-N 3.16Å; K118-T122 PolarHBondContact O-OG1 3.37Å
119	Y	94.2	Very high	92.8	Very high	133 Å²	133	101.2 Å²	101.2	52%	0.522	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-42.8	178.5	178.8	-97.9	0	0	0	111.9	V115 V116 D117 T122 K123	V115-Y119 PolarHBondContact O-N 2.93Å; V116-Y119 WeakPolarHBondContact O-CB 3.49Å; V116-Y119 PolarHBondContact O-N 2.9Å; V116-Y119 VanDerWaalsContact O-N 3.12Å; D117-Y119 VanDerWaalsContact C-N 3.3Å; D117-Y119 PolarHBondContact O-N 3.11Å; Y119-T122 PolarHBondContact O-N 3.09Å; Y119-K123 WeakPolarHBondContact OH-CE 3.31Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å
120	M	92.5	Very high	92.4	Very high	116 Å²	116	108.1 Å²	108.1	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-66.7	-36.5	179.4	-65.2	-58.4	179.1	0	0	112.5	V116 D117	V116-M120 HydrophobicContact CG1-CE 4.31Å; V116-M120 HydrophobicContact CG1-CG 4.42Å; V116-M120 WeakPolarHBondContact O-CG 3.39Å; V116-M120 PolarHBondContact O-N 2.94Å; D117-M120 PolarHBondContact O-N 3.14Å
121	N	93.1	Very high	92.1	Very high	136 Å²	136	109.2 Å²	109.2	73%	0.727	55%	0.548	S	S	*	.	H	α-helix	trans	-80.9	-12.9	179.8	-66.2	-35.3	0	0	0	114.4	D117 K118	D117-N121 WeakPolarHBondContact O-CB 3.49Å; D117-N121 VanDerWaalsContact O-CG 3.3Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 3.43Å; K118-N121 PolarHBondContact O-N 3.44Å
122	T	91.9	Very high	91.8	Very high	113 Å²	113	108.7 Å²	108.7	69%	0.693	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.8	176.9	-53.3	0	0	0	0	111.7	K118 Y119	K118-T122 WeakPolarHBondContact O-CB 3.5Å; K118-T122 PolarHBondContact O-N 2.91Å; K118-T122 VanDerWaalsContact O-N 3.16Å; K118-T122 PolarHBondContact O-OG1 3.37Å; Y119-T122 PolarHBondContact O-N 3.09Å
123	K	66.2	Low	91.4	Very high	198 Å²	198	115.6 Å²	115.6	86%	0.861	57%	0.569	S	S	*	*			trans	-89.4	0	172.9	-69.4	-149.7	-179	-178.7	0	111.2	Y119	Y119-K123 WeakPolarHBondContact OH-CE 3.31Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å

Retrieved 123 of 123 residues in 205.5 ms (Link to these results)

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