A0A087YIN2_POEFO Loading...

Ankyrin repeat domain 39

AlphaFold DB , UniProt , Accession A0A087YIN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 aa.

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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	36.4	Very low	39.1	Very low	239 Å²	239	144.9 Å²	144.9	100%	1.177	81%	0.812	S	S	*	*				0	116.1	0	-59.8	172.2	171	0	0	107.2
2	S	35.2	Very low	39	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	80%	0.804	S	S	*	*			cis	-170.4	135.5	-15.5	-88.8	0	0	0	0	103.7
3	D	40	Very low	38.8	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	80%	0.8	S	S	*	*			trans	60.4	140.3	151.9	-49.6	-45.1	0	0	0	118.8
4	K	40.8	Very low	39	Very low	201 Å²	201	142.7 Å²	142.7	87%	0.874	80%	0.801	S	S	*	*				-156	145.8	50.9	-70.6	175.2	-178.4	-178.7	0	112.5
5	H	43.1	Very low	39	Very low	173 Å²	173	141 Å²	141	80%	0.801	80%	0.802	S	S	*	*			trans	-65	145.1	167.7	-72.3	61.1	0	0	0	112.3
6	H	39.2	Very low	38.9	Very low	202 Å²	202	138 Å²	138	94%	0.935	79%	0.792	S	S	*	*			trans	-155.4	150.6	134.5	-114.8	72.9	0	0	0	112.6
7	C	35.2	Very low	38.9	Very low	112 Å²	112	136.9 Å²	136.9	76%	0.757	79%	0.792	S	S	*	*			trans	-94.5	151.1	-154.6	-169.3	0	0	0	0	114
8	S	45.5	Very low	38.7	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	79%	0.787	S	S	*	*			trans	38.8	112.1	144.4	-170.2	0	0	0	0	120.3
9	C	35.3	Very low	39	Very low	129 Å²	129	135.1 Å²	135.1	87%	0.872	79%	0.789	S	S	*	*			trans	-126.9	101.4	149.9	-74.7	0	0	0	0	109.5	S11	C9-S11 PolarHBondContact O-N 3.31Å
10	C	36.9	Very low	39	Very low	92 Å²	92	137.6 Å²	137.6	62%	0.622	79%	0.793	S	S	*	*			trans	-56.2	126.1	165.9	-61.4	0	0	0	0	109.6	H12	C10-H12 PolarHBondContact O-N 3.23Å; C10-H12 VanDerWaalsContact O-N 3.07Å
11	S	41.9	Very low	39.6	Very low	122 Å²	122	137.3 Å²	137.3	85%	0.853	78%	0.784	S	S	*	*			trans	-67.6	99.4	165.4	-48.5	0	0	0	0	108.9	C9	C9-S11 PolarHBondContact O-N 3.31Å
12	H	38.8	Very low	39.9	Very low	154 Å²	154	130.5 Å²	130.5	71%	0.713	76%	0.756	S	S	*	*			trans	-104	130.4	159.1	-74.1	-81	0	0	0	108	C10 V14	C10-H12 PolarHBondContact O-N 3.23Å; C10-H12 VanDerWaalsContact O-N 3.07Å; H12-V14 PolarHBondContact O-N 3.39Å
13	P	36	Very low	40.4	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	76%	0.758	S	S	*	*			trans	-62.7	127.7	170.3	26.8	-30.7	0	0	0	108.2	S15	P13-S15 PolarHBondContact O-N 3.12Å
14	V	41.8	Very low	41	Very low	134 Å²	134	132.7 Å²	132.7	81%	0.812	76%	0.76	S	S	*	*			trans	-61.1	106	165.8	-73.7	0	0	0	0	107.3	H12 S16	H12-V14 PolarHBondContact O-N 3.39Å; V14-S16 VanDerWaalsContact C-N 3.3Å; V14-S16 PolarHBondContact O-N 3.3Å
15	S	38.8	Very low	41.6	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	75%	0.745	S	S	*	*			trans	-66.8	97	165.9	-68.1	0	0	0	0	107.4	P13	P13-S15 PolarHBondContact O-N 3.12Å
16	S	37.3	Very low	42	Very low	93 Å²	93	125.4 Å²	125.4	65%	0.65	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-52.2	130.3	163.9	-60.4	0	0	0	0	108.6	V14 S18	V14-S16 VanDerWaalsContact C-N 3.3Å; V14-S16 PolarHBondContact O-N 3.3Å; S16-S18 PolarHBondContact O-N 3.35Å
17	P	39.6	Very low	43.2	Very low	120 Å²	120	120.5 Å²	120.5	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-64	117.7	171.4	26.3	-29.7	0	0	0	107.3	V19	P17-V19 PolarHBondContact O-N 2.83Å
18	S	35.3	Very low	44.8	Very low	101 Å²	101	118.3 Å²	118.3	71%	0.706	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-59.7	120.8	178.1	-60.8	0	0	0	0	109.8	S16 H20	S16-S18 PolarHBondContact O-N 3.35Å; S18-H20 PolarHBondContact O-N 3.06Å
19	V	43.6	Very low	45.7	Very low	138 Å²	138	118.8 Å²	118.8	84%	0.836	68%	0.681	S	S	*	*	S	Bend	trans	-73.1	34.4	-179.8	-69.5	0	0	0	0	113.9	P17	P17-V19 PolarHBondContact O-N 2.83Å
20	H	39.4	Very low	47.7	Very low	184 Å²	184	119.2 Å²	119.2	85%	0.852	66%	0.664	S	S	*	*			trans	-132.9	32.8	-176.8	-102.8	-62.6	0	0	0	114.1	S18	S18-H20 PolarHBondContact O-N 3.06Å
21	Q	51.1	Low	50.2	Low	133 Å²	133	114.9 Å²	114.9	62%	0.621	64%	0.636	S	S	*	*	S	Bend	trans	-119.3	4.3	-179.5	-108.9	176.1	-3.8	0	0	117
22	T	43.6	Very low	52.8	Low	95 Å²	95	109.1 Å²	109.1	58%	0.583	60%	0.595	S	S	*	*	S	Bend	trans	-129.6	41.7	-153.8	60.9	0	0	0	0	117.6
23	L	44.8	Very low	55.6	Low	138 Å²	138	103.6 Å²	103.6	72%	0.723	57%	0.568	S	S	*	*	S	Bend	trans	-124.5	-47.3	164.5	-75.1	171.3	0	0	0	112.2	E25 M26 D27	L23-E25 PolarHBondContact O-N 3.16Å; L23-M26 PolarHBondContact O-N 3.46Å; L23-D27 PolarHBondContact O-N 3.49Å; L23-D27 VanDerWaalsContact O-N 3.15Å
24	D	53.7	Low	58.4	Low	145 Å²	145	100.5 Å²	100.5	78%	0.775	55%	0.549	S	S	*	.	H	α-helix	trans	-68.5	-31.5	179.7	-67.2	-23	0	0	0	113.4	F28	D24-F28 WeakPolarHBondContact O-CB 3.3Å; D24-F28 PolarHBondContact O-N 3.37Å; D24-F28 VanDerWaalsContact O-N 3.16Å
25	E	52.7	Low	61	Low	120 Å²	120	94.2 Å²	94.2	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-77.2	-36.4	178.8	-66.4	-179.6	177.9	0	0	112.5	L23 F28 E29	L23-E25 PolarHBondContact O-N 3.16Å; E25-F28 WeakPolarHBondContact O-CB 3.49Å; E25-F28 PolarHBondContact O-N 3.09Å; E25-E29 PolarHBondContact O-N 3.34Å
26	M	52.5	Low	63.8	Low	100 Å²	100	88.6 Å²	88.6	49%	0.493	47%	0.472	S	S	.	.	H	α-helix	trans	-71.8	-33.5	176.4	-73.3	-176.1	74.8	0	0	112.2	L23 F28 R30	L23-M26 PolarHBondContact O-N 3.46Å; M26-F28 VanDerWaalsContact C-N 3.33Å; M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 VanDerWaalsContact O-CD 3.28Å; M26-R30 WeakPolarHBondContact O-CD 3.22Å; M26-R30 WeakPolarHBondContact O-CG 3.45Å; M26-R30 PolarHBondContact O-N 3.02Å
27	D	63.6	Low	66.7	Low	100 Å²	100	87 Å²	87	54%	0.535	46%	0.456	S	S	.	.	H	α-helix	trans	-72.3	-27.8	171.9	-83.8	-8.7	0	0	0	112.4	L23 G31	L23-D27 PolarHBondContact O-N 3.49Å; L23-D27 VanDerWaalsContact O-N 3.15Å; D27-G31 PolarHBondContact O-N 3.49Å; D27-G31 VanDerWaalsContact O-N 3.1Å
28	F	68.8	Low	69.5	Low	66 Å²	66	86.9 Å²	86.9	29%	0.289	45%	0.449	S	S	.	.	H	α-helix	trans	-66.1	-51.4	176.9	-174.8	-95.6	0	0	0	111.9	D24 E25 M26 G31 L47 K50 T52	D24-F28 WeakPolarHBondContact O-CB 3.3Å; D24-F28 PolarHBondContact O-N 3.37Å; D24-F28 VanDerWaalsContact O-N 3.16Å; E25-F28 WeakPolarHBondContact O-CB 3.49Å; E25-F28 PolarHBondContact O-N 3.09Å; M26-F28 VanDerWaalsContact C-N 3.33Å; F28-G31 PolarHBondContact O-N 2.87Å; F28-G31 VanDerWaalsContact O-N 3.14Å; F28-L47 HydrophobicContact CD1-CD2 4.07Å; F28-L47 HydrophobicContact CD2-CD2 3.69Å; F28-L47 HydrophobicContact CE1-CD2 3.71Å; F28-L47 HydrophobicContact CE2-CD2 3.31Å; F28-L47 HydrophobicContact CG-CD2 4.05Å; F28-L47 HydrophobicContact CZ-CD2 3.3Å; F28-L47 HydrophobicContact CZ-CG 4.49Å; F28-L47 WeakPolarHBondContact O-CD2 3.45Å; F28-K50 HydrophobicContact CE1-CB 4.2Å; F28-K50 HydrophobicContact CE2-CD 3.72Å; F28-K50 HydrophobicContact CZ-CB 3.64Å; F28-K50 HydrophobicContact CZ-CD 3.44Å; F28-K50 VanDerWaalsContact CZ-CD 3.44Å; F28-K50 HydrophobicContact CZ-CG 4.18Å; F28-T52 WeakPolarHBondContact CE1-OG1 3.37Å
29	E	63.5	Low	72.4	Confident	97 Å²	97	83.3 Å²	83.3	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-67.8	-40.8	-179.8	-69.1	-170.7	155.8	0	0	112.5	E25 G31 I32 M56	E25-E29 PolarHBondContact O-N 3.34Å; E29-G31 PolarHBondContact O-N 2.61Å; E29-I32 WeakPolarHBondContact O-CG2 3.38Å; E29-I32 PolarHBondContact O-N 3.07Å; E29-M56 HydrophobicContact CB-CE 3.87Å; E29-M56 HydrophobicContact CB-SD 3.82Å; E29-M56 VanDerWaalsContact CD-CE 3.45Å; E29-M56 HydrophobicContact CG-CE 3.79Å; E29-M56 HydrophobicContact CG-SD 4.43Å
30	R	77.8	Confident	75	Confident	138 Å²	138	80 Å²	80	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-26.5	172.4	-74	174.7	161.1	-172.8	-5.3	112.8	M26 I32 W33	M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 VanDerWaalsContact O-CD 3.28Å; M26-R30 WeakPolarHBondContact O-CD 3.22Å; M26-R30 WeakPolarHBondContact O-CG 3.45Å; M26-R30 PolarHBondContact O-N 3.02Å; R30-I32 PolarHBondContact O-N 3.17Å; R30-W33 HydrophobicContact CB-CE3 4.38Å; R30-W33 HydrophobicContact CB-CZ3 4.26Å; R30-W33 HydrophobicContact CG-CE3 4.33Å; R30-W33 HydrophobicContact CG-CH2 4.45Å; R30-W33 HydrophobicContact CG-CZ3 3.74Å; R30-W33 PolarHBondContact O-N 2.84Å
31	G	90.6	Very high	77.8	Confident	2 Å²	2	72.9 Å²	72.9	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-24.1	-178.1	0	0	0	0	0	114.1	D27 F28 E29 S34 A35	D27-G31 PolarHBondContact O-N 3.49Å; D27-G31 VanDerWaalsContact O-N 3.1Å; F28-G31 PolarHBondContact O-N 2.87Å; F28-G31 VanDerWaalsContact O-N 3.14Å; E29-G31 PolarHBondContact O-N 2.61Å; G31-S34 PolarHBondContact O-OG 3.32Å; G31-A35 WeakPolarHBondContact O-CB 3.35Å; G31-A35 PolarHBondContact O-N 3.25Å
32	I	95.6	Very high	80.1	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-73	-33.1	-178	-160.3	173.5	0	0	0	111.8	E29 R30 A36 V44 L47 V48 T52 A64 L80	E29-I32 WeakPolarHBondContact O-CG2 3.38Å; E29-I32 PolarHBondContact O-N 3.07Å; R30-I32 PolarHBondContact O-N 3.17Å; I32-A36 WeakPolarHBondContact O-CB 3.26Å; I32-A36 PolarHBondContact O-N 3.34Å; I32-V44 HydrophobicContact CG1-CG1 4.38Å; I32-L47 VanDerWaalsContact CA-CD1 3.47Å; I32-L47 HydrophobicContact CB-CD1 3.83Å; I32-L47 HydrophobicContact CG1-CD1 4.31Å; I32-L47 VanDerWaalsContact N-CD1 3.32Å; I32-V48 HydrophobicContact CD1-CG2 3.8Å; I32-T52 HydrophobicContact CB-CG2 4.17Å; I32-T52 HydrophobicContact CD1-CG2 3.87Å; I32-T52 HydrophobicContact CG2-CG2 4.07Å; I32-A64 HydrophobicContact CD1-CB 4.34Å; I32-A64 HydrophobicContact CG1-CB 3.99Å; I32-A64 HydrophobicContact CG2-CB 4.36Å; I32-L80 HydrophobicContact CD1-CD2 4.29Å
33	W	96.8	Very high	82.6	Confident	37 Å²	37	73.9 Å²	73.9	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-72.5	-44.4	179	-53.7	-40.5	0	0	0	111.8	R30 A36 L37 M56 K57 D58 Y67	R30-W33 HydrophobicContact CB-CE3 4.38Å; R30-W33 HydrophobicContact CB-CZ3 4.26Å; R30-W33 HydrophobicContact CG-CE3 4.33Å; R30-W33 HydrophobicContact CG-CH2 4.45Å; R30-W33 HydrophobicContact CG-CZ3 3.74Å; R30-W33 PolarHBondContact O-N 2.84Å; W33-A36 PolarHBondContact O-N 3.32Å; W33-L37 WeakPolarHBondContact O-CB 3.38Å; W33-L37 PolarHBondContact O-N 3Å; W33-M56 HydrophobicContact CZ2-CG 3.93Å; W33-M56 HydrophobicContact CZ2-SD 3.93Å; W33-M56 PolarHBondContact NE1-O 3.38Å; W33-M56 VanDerWaalsContact NE1-O 3.15Å; W33-K57 WeakPolarHBondContact CZ2-O 3.49Å; W33-D58 HydrophobicContact CD2-CB 3.77Å; W33-D58 HydrophobicContact CE3-CB 3.56Å; W33-D58 HydrophobicContact CH2-CB 3.5Å; W33-D58 VanDerWaalsContact CH2-CB 3.5Å; W33-D58 HydrophobicContact CZ2-CB 3.67Å; W33-D58 HydrophobicContact CZ3-CB 3.39Å; W33-Y67 HydrophobicContact CB-CD2 3.74Å; W33-Y67 HydrophobicContact CB-CE2 3.77Å; W33-Y67 HydrophobicContact CG-CD2 4.15Å; W33-Y67 AromaticContact CG-CE2 3.99Å; W33-Y67 HydrophobicContact CG-CE2 3.99Å
34	S	95.4	Very high	85.1	Confident	52 Å²	52	67.3 Å²	67.3	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-45.5	175.5	56.7	0	0	0	0	111.3	G31 A36 L37 D38	G31-S34 PolarHBondContact O-OG 3.32Å; S34-A36 PolarHBondContact O-N 3.23Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 PolarHBondContact O-N 3.36Å; S34-D38 WeakPolarHBondContact O-CB 3.41Å; S34-D38 VanDerWaalsContact O-CG 3.28Å; S34-D38 PolarHBondContact O-N 3.38Å
35	A	97	Very high	87.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-40.6	175.2	0	0	0	0	0	112	G31 G39 D40 R43 V44	G31-A35 WeakPolarHBondContact O-CB 3.35Å; G31-A35 PolarHBondContact O-N 3.25Å; A35-G39 PolarHBondContact O-N 2.98Å; A35-D40 HydrophobicContact CB-CB 4.36Å; A35-D40 PolarHBondContact O-N 3.16Å; A35-R43 HydrophobicContact CB-CB 3.9Å; A35-R43 HydrophobicContact CB-CG 3.78Å; A35-V44 HydrophobicContact CB-CG2 3.61Å
36	A	98.3	Very high	89.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-35.1	176.7	0	0	0	0	0	113.2	I32 W33 S34 V44 A64 G68 H73 V76	I32-A36 WeakPolarHBondContact O-CB 3.26Å; I32-A36 PolarHBondContact O-N 3.34Å; W33-A36 PolarHBondContact O-N 3.32Å; S34-A36 PolarHBondContact O-N 3.23Å; A36-V44 HydrophobicContact CB-CG2 4.31Å; A36-A64 HydrophobicContact CB-CB 3.86Å; A36-A64 WeakPolarHBondContact CB-O 3.4Å; A36-G68 WeakPolarHBondContact O-CA 3.49Å; A36-H73 PolarHBondContact O-CD2 3.22Å; A36-V76 HydrophobicContact CB-CG1 3.82Å
37	L	97.6	Very high	91.3	Very high	59 Å²	59	58.1 Å²	58.1	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-39.6	174.5	179.3	71.9	0	0	0	112	W33 S34 Y67 S71 H73	W33-L37 WeakPolarHBondContact O-CB 3.38Å; W33-L37 PolarHBondContact O-N 3Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 PolarHBondContact O-N 3.36Å; L37-Y67 HydrophobicContact CB-CD1 4.25Å; L37-Y67 HydrophobicContact CD1-CD1 3.98Å; L37-S71 WeakPolarHBondContact CD1-OG 3.43Å; L37-S71 VanDerWaalsContact O-CB 3.32Å; L37-S71 WeakPolarHBondContact O-CB 3.37Å; L37-S71 PolarHBondContact O-OG 2.88Å; L37-H73 PolarHBondContact O-CD2 3.45Å; L37-H73 VanDerWaalsContact O-CD2 3.31Å; L37-H73 PolarHBondContact O-NE2 3.04Å
38	D	97.3	Very high	92.9	Very high	117 Å²	117	54.7 Å²	54.7	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-86.4	-10.9	-176.5	-63.6	-23.9	0	0	0	113.1	S34 D40	S34-D38 WeakPolarHBondContact O-CB 3.41Å; S34-D38 VanDerWaalsContact O-CG 3.28Å; S34-D38 PolarHBondContact O-N 3.38Å; D38-D40 VanDerWaalsContact C-N 3.34Å
39	G	97.9	Very high	94.1	Very high	27 Å²	27	58.5 Å²	58.5	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	15	-178.9	0	0	0	0	0	114.1	A35 L41 H73	A35-G39 PolarHBondContact O-N 2.98Å; G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.49Å; G39-H73 WeakPolarHBondContact CA-CD2 3.39Å; G39-H73 VanDerWaalsContact CA-CG 3.41Å; G39-H73 PolarHBondContact N-CD2 3.27Å; G39-H73 PolarHBondContact N-NE2 3.5Å
40	D	98.1	Very high	95.6	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	29%	0.29	S	S	.	.			trans	-74.7	80.3	178.3	-172.7	-10.7	0	0	0	110.9	A35 D38 Q42 R43 V44	A35-D40 HydrophobicContact CB-CB 4.36Å; A35-D40 PolarHBondContact O-N 3.16Å; D38-D40 VanDerWaalsContact C-N 3.34Å; D40-Q42 PolarHBondContact O-N 3.18Å; D40-Q42 PolarHBondContact OD1-N 2.97Å; D40-R43 HydrophobicContact CB-CB 4.07Å; D40-R43 PolarHBondContact O-N 3.27Å; D40-R43 WeakPolarHBondContact OD1-CB 3.33Å; D40-R43 PolarHBondContact OD1-N 3.45Å; D40-R43 WeakPolarHBondContact OD2-CB 3.38Å; D40-V44 WeakPolarHBondContact O-CG2 3.37Å; D40-V44 PolarHBondContact O-N 3.28Å
41	L	98.5	Very high	96.3	Very high	34 Å²	34	57 Å²	57	18%	0.178	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-34.8	178.4	177.2	62	0	0	0	112.7	G39 V44 R45 A75 V76 F79	G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.49Å; L41-V44 PolarHBondContact O-N 3.07Å; L41-R45 HydrophobicContact CD1-CG 4.15Å; L41-R45 HydrophobicContact CG-CG 4.4Å; L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.5Å; L41-R45 PolarHBondContact O-N 2.85Å; L41-A75 HydrophobicContact CD2-CB 4.07Å; L41-V76 HydrophobicContact CB-CG2 4.17Å; L41-V76 HydrophobicContact CD1-CG2 4.48Å; L41-F79 HydrophobicContact CD1-CB 3.66Å; L41-F79 HydrophobicContact CD1-CD1 4.31Å; L41-F79 HydrophobicContact CD1-CG 4Å
42	Q	97.8	Very high	96.5	Very high	133 Å²	133	57.2 Å²	57.2	62%	0.621	30%	0.299	S	S	*	.	H	α-helix	trans	-70.4	-41.7	-177.6	-63.2	-55	-36	0	0	110.8	D40 R45 L46	D40-Q42 PolarHBondContact O-N 3.18Å; D40-Q42 PolarHBondContact OD1-N 2.97Å; Q42-R45 PolarHBondContact O-N 3.14Å; Q42-L46 WeakPolarHBondContact O-CB 3.44Å; Q42-L46 PolarHBondContact O-N 3.25Å
43	R	96.1	Very high	96.5	Very high	117 Å²	117	61.2 Å²	61.2	44%	0.442	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-43.4	174	-173	173.7	-177	97.7	3.7	111.7	A35 D40 R45 L46 L47	A35-R43 HydrophobicContact CB-CB 3.9Å; A35-R43 HydrophobicContact CB-CG 3.78Å; D40-R43 HydrophobicContact CB-CB 4.07Å; D40-R43 PolarHBondContact O-N 3.27Å; D40-R43 WeakPolarHBondContact OD1-CB 3.33Å; D40-R43 PolarHBondContact OD1-N 3.45Å; D40-R43 WeakPolarHBondContact OD2-CB 3.38Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 3.32Å; R43-L46 PolarHBondContact O-N 2.64Å; R43-L47 HydrophobicContact CG-CD1 4.06Å; R43-L47 HydrophobicContact CG-CG 4.45Å; R43-L47 WeakPolarHBondContact O-CG 3.4Å; R43-L47 PolarHBondContact O-N 3.24Å
44	V	97.8	Very high	96.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-46.9	173.9	176.1	0	0	0	0	111.1	I32 A35 A36 D40 L41 L46 L47 V48 V76 F79 L80	I32-V44 HydrophobicContact CG1-CG1 4.38Å; A35-V44 HydrophobicContact CB-CG2 3.61Å; A36-V44 HydrophobicContact CB-CG2 4.31Å; D40-V44 WeakPolarHBondContact O-CG2 3.37Å; D40-V44 PolarHBondContact O-N 3.28Å; L41-V44 PolarHBondContact O-N 3.07Å; V44-L46 PolarHBondContact O-N 3.38Å; V44-L47 PolarHBondContact O-N 3.17Å; V44-V48 HydrophobicContact CG1-CG2 4.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.24Å; V44-V48 PolarHBondContact O-N 3.28Å; V44-V76 HydrophobicContact CG2-CG1 4.2Å; V44-F79 HydrophobicContact CG1-CD1 3.79Å; V44-F79 HydrophobicContact CG1-CE1 4Å; V44-L80 HydrophobicContact CG1-CD2 3.75Å; V44-L80 HydrophobicContact CG1-CG 4.15Å
45	R	98	Very high	96.6	Very high	84 Å²	84	60.1 Å²	60.1	32%	0.317	31%	0.314	S	S	.	.	H	α-helix	trans	-58.2	-48.1	177.2	-77.8	174.8	-175.8	-90.1	-4.2	112.2	L41 Q42 R43 L47 V48 Q49 F79	L41-R45 HydrophobicContact CD1-CG 4.15Å; L41-R45 HydrophobicContact CG-CG 4.4Å; L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.5Å; L41-R45 PolarHBondContact O-N 2.85Å; Q42-R45 PolarHBondContact O-N 3.14Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 3.32Å; R45-L47 VanDerWaalsContact C-N 3.35Å; R45-L47 PolarHBondContact O-N 3.12Å; R45-V48 PolarHBondContact O-N 3.36Å; R45-Q49 WeakPolarHBondContact O-CB 3.43Å; R45-Q49 WeakPolarHBondContact O-CG 3.44Å; R45-Q49 PolarHBondContact O-N 2.91Å; R45-F79 HydrophobicContact CB-CE1 4.27Å; R45-F79 HydrophobicContact CB-CZ 4.12Å; R45-F79 HydrophobicContact CG-CD1 4Å; R45-F79 HydrophobicContact CG-CD2 3.91Å; R45-F79 HydrophobicContact CG-CE1 3.76Å; R45-F79 HydrophobicContact CG-CE2 3.67Å; R45-F79 HydrophobicContact CG-CG 4.07Å; R45-F79 HydrophobicContact CG-CZ 3.59Å
46	L	95.9	Very high	96.6	Very high	84 Å²	84	61.9 Å²	61.9	44%	0.44	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-43.4	-179.6	179.6	63.2	0	0	0	111.9	Q42 R43 V44 Q49 K50	Q42-L46 WeakPolarHBondContact O-CB 3.44Å; Q42-L46 PolarHBondContact O-N 3.25Å; R43-L46 PolarHBondContact O-N 2.64Å; V44-L46 PolarHBondContact O-N 3.38Å; L46-Q49 PolarHBondContact O-N 3.46Å; L46-K50 HydrophobicContact CD1-CD 4.28Å; L46-K50 HydrophobicContact CD1-CG 4.46Å; L46-K50 HydrophobicContact CG-CD 4.36Å; L46-K50 WeakPolarHBondContact O-CB 3.03Å; L46-K50 WeakPolarHBondContact O-CG 3.35Å; L46-K50 PolarHBondContact O-N 2.91Å
47	L	95.6	Very high	96.4	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-48.4	179.8	-67.9	171.4	0	0	0	111.3	F28 I32 R43 V44 R45 Q49 K50 G51 T52	F28-L47 HydrophobicContact CD1-CD2 4.07Å; F28-L47 HydrophobicContact CD2-CD2 3.69Å; F28-L47 HydrophobicContact CE1-CD2 3.71Å; F28-L47 HydrophobicContact CE2-CD2 3.31Å; F28-L47 HydrophobicContact CG-CD2 4.05Å; F28-L47 HydrophobicContact CZ-CD2 3.3Å; F28-L47 HydrophobicContact CZ-CG 4.49Å; F28-L47 WeakPolarHBondContact O-CD2 3.45Å; I32-L47 VanDerWaalsContact CA-CD1 3.47Å; I32-L47 HydrophobicContact CB-CD1 3.83Å; I32-L47 HydrophobicContact CG1-CD1 4.31Å; I32-L47 VanDerWaalsContact N-CD1 3.32Å; R43-L47 HydrophobicContact CG-CD1 4.06Å; R43-L47 HydrophobicContact CG-CG 4.45Å; R43-L47 WeakPolarHBondContact O-CG 3.4Å; R43-L47 PolarHBondContact O-N 3.24Å; V44-L47 PolarHBondContact O-N 3.17Å; R45-L47 VanDerWaalsContact C-N 3.35Å; R45-L47 PolarHBondContact O-N 3.12Å; L47-Q49 PolarHBondContact O-N 3.03Å; L47-K50 CarbonylContact O-C 3.6Å; L47-K50 PolarHBondContact O-N 2.84Å; L47-K50 VanDerWaalsContact O-N 3.15Å; L47-G51 PolarHBondContact O-N 3.41Å; L47-T52 WeakPolarHBondContact O-CB 3.29Å; L47-T52 PolarHBondContact O-N 2.79Å; L47-T52 PolarHBondContact O-OG1 3.32Å
48	V	96.3	Very high	96.3	Very high	27 Å²	27	65 Å²	65	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-42.3	177.1	174.2	0	0	0	0	111.3	I32 V44 R45 K50 G51 F79	I32-V48 HydrophobicContact CD1-CG2 3.8Å; V44-V48 HydrophobicContact CG1-CG2 4.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.24Å; V44-V48 PolarHBondContact O-N 3.28Å; R45-V48 PolarHBondContact O-N 3.36Å; V48-K50 PolarHBondContact O-N 3.45Å; V48-G51 PolarHBondContact O-N 3.18Å; V48-F79 HydrophobicContact CB-CE1 4.04Å; V48-F79 HydrophobicContact CB-CZ 4.22Å; V48-F79 HydrophobicContact CG1-CE1 4.38Å; V48-F79 HydrophobicContact CG1-CZ 4.28Å; V48-F79 HydrophobicContact CG2-CE1 3.99Å
49	Q	95.6	Very high	96.1	Very high	146 Å²	146	65.8 Å²	65.8	68%	0.682	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-30.4	176.1	-75.9	172.8	3.2	0	0	113.4	R45 L46 L47 G51	R45-Q49 WeakPolarHBondContact O-CB 3.43Å; R45-Q49 WeakPolarHBondContact O-CG 3.44Å; R45-Q49 PolarHBondContact O-N 2.91Å; L46-Q49 PolarHBondContact O-N 3.46Å; L47-Q49 PolarHBondContact O-N 3.03Å; Q49-G51 PolarHBondContact O-N 3.46Å
50	K	93.6	Very high	96	Very high	138 Å²	138	66.9 Å²	66.9	60%	0.6	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	1.8	174.9	-77.2	-176.3	168.8	-164	0	113.5	F28 L46 L47 V48	F28-K50 HydrophobicContact CE1-CB 4.2Å; F28-K50 HydrophobicContact CE2-CD 3.72Å; F28-K50 HydrophobicContact CZ-CB 3.64Å; F28-K50 HydrophobicContact CZ-CD 3.44Å; F28-K50 VanDerWaalsContact CZ-CD 3.44Å; F28-K50 HydrophobicContact CZ-CG 4.18Å; L46-K50 HydrophobicContact CD1-CD 4.28Å; L46-K50 HydrophobicContact CD1-CG 4.46Å; L46-K50 HydrophobicContact CG-CD 4.36Å; L46-K50 WeakPolarHBondContact O-CB 3.03Å; L46-K50 WeakPolarHBondContact O-CG 3.35Å; L46-K50 PolarHBondContact O-N 2.91Å; L47-K50 CarbonylContact O-C 3.6Å; L47-K50 PolarHBondContact O-N 2.84Å; L47-K50 VanDerWaalsContact O-N 3.15Å; V48-K50 PolarHBondContact O-N 3.45Å
51	G	93.1	Very high	95.9	Very high	65 Å²	65	64 Å²	64	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	7.6	173.1	0	0	0	0	0	115.3	L47 V48 Q49 D53	L47-G51 PolarHBondContact O-N 3.41Å; V48-G51 PolarHBondContact O-N 3.18Å; Q49-G51 PolarHBondContact O-N 3.46Å; G51-D53 PolarHBondContact O-N 3.07Å
52	T	94.7	Very high	95.8	Very high	8 Å²	8	64.8 Å²	64.8	5%	0.049	34%	0.343	C	S	.	.			trans	-63.8	125	172	-56.2	0	0	0	0	110.1	F28 I32 L47 P54 M56	F28-T52 WeakPolarHBondContact CE1-OG1 3.37Å; I32-T52 HydrophobicContact CB-CG2 4.17Å; I32-T52 HydrophobicContact CD1-CG2 3.87Å; I32-T52 HydrophobicContact CG2-CG2 4.07Å; L47-T52 WeakPolarHBondContact O-CB 3.29Å; L47-T52 PolarHBondContact O-N 2.79Å; L47-T52 PolarHBondContact O-OG1 3.32Å; T52-P54 WeakPolarHBondContact O-CD 3.26Å; T52-M56 HydrophobicContact CG2-CE 4.22Å
53	D	95.9	Very high	95.9	Very high	84 Å²	84	58.6 Å²	58.6	45%	0.449	31%	0.314	S	S	.	.			trans	-64.7	119.7	175.8	176.4	11.5	0	0	0	110.7	G51 N55 M56	G51-D53 PolarHBondContact O-N 3.07Å; D53-N55 PolarHBondContact O-N 2.9Å; D53-N55 VanDerWaalsContact O-N 3.13Å; D53-N55 WeakPolarHBondContact OD1-CB 3.33Å; D53-N55 PolarHBondContact OD1-N 3.5Å; D53-N55 PolarHBondContact OD1-ND2 3.48Å; D53-M56 HydrophobicContact CB-CB 4.39Å; D53-M56 WeakPolarHBondContact O-CB 3.33Å; D53-M56 PolarHBondContact O-N 2.93Å
54	P	96.5	Very high	96	Very high	14 Å²	14	53 Å²	53	9%	0.091	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.3	177.4	27.3	-35.5	0	0	0	113.6	T52 L80 S83 A85	T52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-L80 HydrophobicContact CB-CD2 4.11Å; P54-S83 WeakPolarHBondContact CG-O 3.35Å; P54-A85 HydrophobicContact CB-CB 4.23Å
55	N	97.8	Very high	96	Very high	53 Å²	53	53 Å²	53	28%	0.283	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.7	175.1	-65.6	-71.3	0	0	0	114.1	D53 K57 G84 A85 C86	D53-N55 PolarHBondContact O-N 2.9Å; D53-N55 VanDerWaalsContact O-N 3.13Å; D53-N55 WeakPolarHBondContact OD1-CB 3.33Å; D53-N55 PolarHBondContact OD1-N 3.5Å; D53-N55 PolarHBondContact OD1-ND2 3.48Å; N55-K57 PolarHBondContact O-N 3.34Å; N55-G84 PolarHBondContact ND2-O 3.15Å; N55-A85 WeakPolarHBondContact OD1-CA 3.37Å; N55-C86 WeakPolarHBondContact OD1-CB 3.37Å; N55-C86 PolarHBondContact OD1-N 3.46Å
56	M	95.4	Very high	96.1	Very high	37 Å²	37	49.1 Å²	49.1	18%	0.182	28%	0.279	C	S	.	.			trans	-55.6	131.2	179.7	-172.3	-169.7	-79.4	0	0	111	E29 W33 T52 D53 T63	E29-M56 HydrophobicContact CB-CE 3.87Å; E29-M56 HydrophobicContact CB-SD 3.82Å; E29-M56 VanDerWaalsContact CD-CE 3.45Å; E29-M56 HydrophobicContact CG-CE 3.79Å; E29-M56 HydrophobicContact CG-SD 4.43Å; W33-M56 HydrophobicContact CZ2-CG 3.93Å; W33-M56 HydrophobicContact CZ2-SD 3.93Å; W33-M56 PolarHBondContact NE1-O 3.38Å; W33-M56 VanDerWaalsContact NE1-O 3.15Å; T52-M56 HydrophobicContact CG2-CE 4.22Å; D53-M56 HydrophobicContact CB-CB 4.39Å; D53-M56 WeakPolarHBondContact O-CB 3.33Å; D53-M56 PolarHBondContact O-N 2.93Å; M56-T63 WeakPolarHBondContact O-CA 3.25Å
57	K	96	Very high	96.2	Very high	104 Å²	104	47.3 Å²	47.3	45%	0.452	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-102.2	141.4	179.5	-70.1	-175.7	-177.1	-171.7	0	111.2	W33 N55 Y62 T63 R90	W33-K57 WeakPolarHBondContact CZ2-O 3.49Å; N55-K57 PolarHBondContact O-N 3.34Å; K57-Y62 CarbonylContact C-O 3.54Å; K57-Y62 VanDerWaalsContact CA-O 3.29Å; K57-Y62 WeakPolarHBondContact CA-O 3.36Å; K57-T63 HydrophobicContact CG-CG2 3.74Å; K57-R90 PolarHBondContact NZ-O 3.02Å
58	D	94.6	Very high	96.3	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.107	27%	0.265	C	S	.	.			trans	-75.1	179.8	168.5	72.5	10.5	0	0	0	112.3	W33 A60 G61 Y62 Y67	W33-D58 HydrophobicContact CD2-CB 3.77Å; W33-D58 HydrophobicContact CE3-CB 3.56Å; W33-D58 HydrophobicContact CH2-CB 3.5Å; W33-D58 VanDerWaalsContact CH2-CB 3.5Å; W33-D58 HydrophobicContact CZ2-CB 3.67Å; W33-D58 HydrophobicContact CZ3-CB 3.39Å; D58-A60 PolarHBondContact O-N 3Å; D58-A60 VanDerWaalsContact O-N 3.15Å; D58-A60 VanDerWaalsContact OD1-C 3.24Å; D58-A60 VanDerWaalsContact OD1-CA 3.3Å; D58-A60 WeakPolarHBondContact OD1-CA 3.35Å; D58-A60 WeakPolarHBondContact OD1-CB 3.45Å; D58-A60 PolarHBondContact OD1-N 3.21Å; D58-G61 WeakPolarHBondContact O-CA 3.45Å; D58-G61 PolarHBondContact O-N 2.78Å; D58-G61 PolarHBondContact OD1-N 3.48Å; D58-Y62 PolarHBondContact N-O 3.45Å; D58-Y62 PolarHBondContact OD1-N 3.21Å; D58-Y67 WeakPolarHBondContact OD2-CE2 3.45Å; D58-Y67 PolarHBondContact OD2-OH 3.07Å
59	S	93.3	Very high	96.5	Very high	134 Å²	134	45.8 Å²	45.8	94%	0.937	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.1	178.8	54.7	0	0	0	0	113.9
60	A	94.5	Very high	96.6	Very high	51 Å²	51	45 Å²	45	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.5	174	0	0	0	0	0	112.5	D58 Y62 P92	D58-A60 PolarHBondContact O-N 3Å; D58-A60 VanDerWaalsContact O-N 3.15Å; D58-A60 VanDerWaalsContact OD1-C 3.24Å; D58-A60 VanDerWaalsContact OD1-CA 3.3Å; D58-A60 WeakPolarHBondContact OD1-CA 3.35Å; D58-A60 WeakPolarHBondContact OD1-CB 3.45Å; D58-A60 PolarHBondContact OD1-N 3.21Å; A60-Y62 HydrophobicContact CB-CD2 3.66Å; A60-Y62 HydrophobicContact CB-CE2 3.86Å; A60-Y62 WeakPolarHBondContact O-CD2 3.35Å; A60-P92 VanDerWaalsContact O-CD 3.29Å; A60-P92 WeakPolarHBondContact O-CD 3.43Å
61	G	96.6	Very high	96.8	Very high	8 Å²	8	40.3 Å²	40.3	8%	0.082	23%	0.233	C	C	.	.	S	Bend	trans	81.5	14.5	178.2	0	0	0	0	0	115.3	D58	D58-G61 WeakPolarHBondContact O-CA 3.45Å; D58-G61 PolarHBondContact O-N 2.78Å; D58-G61 PolarHBondContact OD1-N 3.48Å
62	Y	97.8	Very high	97.1	Very high	50 Å²	50	38.3 Å²	38.3	20%	0.196	21%	0.212	C	C	.	.			trans	-87.1	142.2	177.3	-68.5	-101.2	0	0	0	110.9	K57 D58 A60 H66 Y67 T91 R100	K57-Y62 CarbonylContact C-O 3.54Å; K57-Y62 VanDerWaalsContact CA-O 3.29Å; K57-Y62 WeakPolarHBondContact CA-O 3.36Å; D58-Y62 PolarHBondContact N-O 3.45Å; D58-Y62 PolarHBondContact OD1-N 3.21Å; A60-Y62 HydrophobicContact CB-CD2 3.66Å; A60-Y62 HydrophobicContact CB-CE2 3.86Å; A60-Y62 WeakPolarHBondContact O-CD2 3.35Å; Y62-H66 HydrophobicContact CD1-CB 3.73Å; Y62-H66 AromaticContact CD1-CD2 4Å; Y62-H66 AromaticContact CD1-CG 3.93Å; Y62-H66 HydrophobicContact CG-CB 4.5Å; Y62-Y67 HydrophobicContact CG-CE2 4.48Å; Y62-T91 HydrophobicContact CD1-CG2 3.94Å; Y62-T91 HydrophobicContact CD2-CG2 4.15Å; Y62-T91 HydrophobicContact CE1-CG2 3.79Å; Y62-T91 HydrophobicContact CE2-CG2 4Å; Y62-T91 HydrophobicContact CG-CG2 4.09Å; Y62-R100 PolarHBondContact OH-NH2 3.06Å
63	T	98.3	Very high	97.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-100.9	166.5	173.2	65.1	0	0	0	0	110.7	M56 K57 L65 H66 Y67 P89	M56-T63 WeakPolarHBondContact O-CA 3.25Å; K57-T63 HydrophobicContact CG-CG2 3.74Å; T63-L65 PolarHBondContact O-N 3.28Å; T63-L65 VanDerWaalsContact O-N 3.17Å; T63-L65 PolarHBondContact OG1-N 3.31Å; T63-H66 PolarHBondContact N-ND1 3Å; T63-H66 VanDerWaalsContact N-ND1 3.18Å; T63-H66 WeakPolarHBondContact O-CB 3.29Å; T63-H66 PolarHBondContact O-N 3.43Å; T63-H66 PolarHBondContact OG1-ND1 3.29Å; T63-Y67 VanDerWaalsContact O-CD2 3.29Å; T63-Y67 WeakPolarHBondContact O-CD2 3.23Å; T63-Y67 PolarHBondContact O-N 3.1Å; T63-P89 HydrophobicContact CG2-CB 4.02Å; T63-P89 HydrophobicContact CG2-CG 4.16Å
64	A	98.3	Very high	97.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-36.6	172.6	0	0	0	0	0	112.2	I32 A36 H66 Y67 G68 L80	I32-A64 HydrophobicContact CD1-CB 4.34Å; I32-A64 HydrophobicContact CG1-CB 3.99Å; I32-A64 HydrophobicContact CG2-CB 4.36Å; A36-A64 HydrophobicContact CB-CB 3.86Å; A36-A64 WeakPolarHBondContact CB-O 3.4Å; A64-H66 VanDerWaalsContact C-N 3.3Å; A64-H66 PolarHBondContact O-N 3.38Å; A64-Y67 PolarHBondContact O-N 2.99Å; A64-Y67 VanDerWaalsContact O-N 3.16Å; A64-G68 PolarHBondContact O-N 2.98Å; A64-L80 HydrophobicContact CB-CD1 3.71Å; A64-L80 HydrophobicContact CB-CD2 3.99Å
65	L	98.8	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-33.5	177.5	-172.6	61.5	0	0	0	112.4	T63 S69 C77 L80 L81 A85 C86 P97 L113	T63-L65 PolarHBondContact O-N 3.28Å; T63-L65 VanDerWaalsContact O-N 3.17Å; T63-L65 PolarHBondContact OG1-N 3.31Å; L65-S69 WeakPolarHBondContact O-CB 2.98Å; L65-S69 PolarHBondContact O-N 3.4Å; L65-S69 PolarHBondContact O-OG 2.9Å; L65-C77 HydrophobicContact CD1-CB 3.85Å; L65-L80 HydrophobicContact CB-CD1 4.32Å; L65-L80 HydrophobicContact CD1-CB 4.43Å; L65-L80 HydrophobicContact CD1-CD1 4.5Å; L65-L81 HydrophobicContact CD1-CD1 4.38Å; L65-L81 HydrophobicContact CD1-CG 4.18Å; L65-L81 HydrophobicContact CD2-CD2 3.76Å; L65-L81 HydrophobicContact CD2-CG 4.23Å; L65-A85 HydrophobicContact CD2-CB 4.39Å; L65-C86 WeakPolarHBondContact CD2-O 3.37Å; L65-P97 HydrophobicContact CB-CG 4.25Å; L65-P97 HydrophobicContact CD2-CB 4.3Å; L65-P97 HydrophobicContact CD2-CG 3.95Å; L65-P97 HydrophobicContact CG-CB 3.94Å; L65-P97 HydrophobicContact CG-CG 3.87Å; L65-L113 HydrophobicContact CD1-CD2 4.18Å; L65-L113 HydrophobicContact CD2-CD2 4Å; L65-L113 HydrophobicContact CG-CD2 4.25Å
66	H	98.8	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-43.4	173.2	-71	87	0	0	0	112	Y62 T63 A64 S69 R70 P89 A95	Y62-H66 HydrophobicContact CD1-CB 3.73Å; Y62-H66 AromaticContact CD1-CD2 4Å; Y62-H66 AromaticContact CD1-CG 3.93Å; Y62-H66 HydrophobicContact CG-CB 4.5Å; T63-H66 PolarHBondContact N-ND1 3Å; T63-H66 VanDerWaalsContact N-ND1 3.18Å; T63-H66 WeakPolarHBondContact O-CB 3.29Å; T63-H66 PolarHBondContact O-N 3.43Å; T63-H66 PolarHBondContact OG1-ND1 3.29Å; A64-H66 VanDerWaalsContact C-N 3.3Å; A64-H66 PolarHBondContact O-N 3.38Å; H66-S69 PolarHBondContact O-N 3.1Å; H66-R70 WeakPolarHBondContact O-CB 3.45Å; H66-R70 PolarHBondContact O-N 3.31Å; H66-P89 PolarHBondContact CE1-O 3.21Å; H66-P89 VanDerWaalsContact CE1-O 3.3Å; H66-P89 PolarHBondContact NE2-O 3.01Å; H66-A95 PolarHBondContact NE2-O 3.41Å
67	Y	98.6	Very high	97.8	Very high	46 Å²	46	38.2 Å²	38.2	18%	0.18	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-50.6	-179.9	-73.8	-72.9	0	0	0	111.6	W33 L37 D58 Y62 T63 A64 S69 R70 S71	W33-Y67 HydrophobicContact CB-CD2 3.74Å; W33-Y67 HydrophobicContact CB-CE2 3.77Å; W33-Y67 HydrophobicContact CG-CD2 4.15Å; W33-Y67 AromaticContact CG-CE2 3.99Å; W33-Y67 HydrophobicContact CG-CE2 3.99Å; L37-Y67 HydrophobicContact CB-CD1 4.25Å; L37-Y67 HydrophobicContact CD1-CD1 3.98Å; D58-Y67 WeakPolarHBondContact OD2-CE2 3.45Å; D58-Y67 PolarHBondContact OD2-OH 3.07Å; Y62-Y67 HydrophobicContact CG-CE2 4.48Å; T63-Y67 VanDerWaalsContact O-CD2 3.29Å; T63-Y67 WeakPolarHBondContact O-CD2 3.23Å; T63-Y67 PolarHBondContact O-N 3.1Å; A64-Y67 PolarHBondContact O-N 2.99Å; A64-Y67 VanDerWaalsContact O-N 3.16Å; Y67-S69 PolarHBondContact O-N 3.18Å; Y67-R70 WeakPolarHBondContact O-CB 3.27Å; Y67-R70 PolarHBondContact O-N 3.02Å; Y67-S71 PolarHBondContact O-N 3.38Å; Y67-S71 PolarHBondContact O-OG 3.39Å
68	G	98.7	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-37.7	174.6	0	0	0	0	0	112.4	A36 A64 S71 G72 H73	A36-G68 WeakPolarHBondContact O-CA 3.49Å; A64-G68 PolarHBondContact O-N 2.98Å; G68-S71 PolarHBondContact O-N 3.48Å; G68-G72 PolarHBondContact O-N 2.91Å; G68-H73 PolarHBondContact O-N 3.2Å
69	S	98.9	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.1	-36.9	178.5	-64.2	0	0	0	0	113.2	L65 H66 Y67 C77 P97 A101 H106	L65-S69 WeakPolarHBondContact O-CB 2.98Å; L65-S69 PolarHBondContact O-N 3.4Å; L65-S69 PolarHBondContact O-OG 2.9Å; H66-S69 PolarHBondContact O-N 3.1Å; Y67-S69 PolarHBondContact O-N 3.18Å; S69-C77 PolarHBondContact N-SG 3.03Å; S69-P97 WeakPolarHBondContact CB-O 3.28Å; S69-P97 WeakPolarHBondContact OG-CB 3.38Å; S69-A101 WeakPolarHBondContact O-CA 3.08Å; S69-H106 PolarHBondContact O-CD2 2.98Å
70	R	98.7	Very high	98.4	Very high	130 Å²	130	27.8 Å²	27.8	49%	0.491	16%	0.158	S	C	.	.	H	α-helix	trans	-65.2	-42.1	174.8	-177	-174.7	175.2	-161.7	-3.5	111.5	H66 Y67 R100 C104 H106	H66-R70 WeakPolarHBondContact O-CB 3.45Å; H66-R70 PolarHBondContact O-N 3.31Å; Y67-R70 WeakPolarHBondContact O-CB 3.27Å; Y67-R70 PolarHBondContact O-N 3.02Å; R70-R100 HydrophobicContact CB-CB 4.08Å; R70-C104 WeakPolarHBondContact O-CB 3.15Å; R70-C104 PolarHBondContact O-SG 3Å; R70-H106 PolarHBondContact O-CD2 3.02Å; R70-H106 PolarHBondContact O-NE2 3.28Å
71	S	98.5	Very high	98.6	Very high	39 Å²	39	26.6 Å²	26.6	27%	0.273	14%	0.144	S	C	.	.	H	α-helix	trans	-83.9	-9.4	-178.6	-61.4	0	0	0	0	114	L37 Y67 G68 H73	L37-S71 WeakPolarHBondContact CD1-OG 3.43Å; L37-S71 VanDerWaalsContact O-CB 3.32Å; L37-S71 WeakPolarHBondContact O-CB 3.37Å; L37-S71 PolarHBondContact O-OG 2.88Å; Y67-S71 PolarHBondContact O-N 3.38Å; Y67-S71 PolarHBondContact O-OG 3.39Å; G68-S71 PolarHBondContact O-N 3.48Å; S71-H73 WeakPolarHBondContact CB-CD2 3.3Å; S71-H73 VanDerWaalsContact CB-NE2 3.3Å; S71-H73 WeakPolarHBondContact CB-NE2 3.46Å
72	G	98.6	Very high	98.7	Very high	22 Å²	22	33.4 Å²	33.4	23%	0.227	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	17.5	178.4	0	0	0	0	0	114.1	G68 L74 H106	G68-G72 PolarHBondContact O-N 2.91Å; G72-L74 PolarHBondContact O-N 2.81Å; G72-H106 WeakPolarHBondContact CA-CD2 3.41Å; G72-H106 VanDerWaalsContact CA-CG 3.41Å; G72-H106 PolarHBondContact N-CD2 3.5Å; G72-H106 PolarHBondContact N-NE2 3.5Å
73	H	98.8	Very high	98.7	Very high	60 Å²	60	33 Å²	33	28%	0.278	18%	0.178	S	C	.	.			trans	-79.8	82.8	-176.6	-63.5	-45.1	0	0	0	111.3	A36 L37 G39 G68 S71 A75 V76 C77	A36-H73 PolarHBondContact O-CD2 3.22Å; L37-H73 PolarHBondContact O-CD2 3.45Å; L37-H73 VanDerWaalsContact O-CD2 3.31Å; L37-H73 PolarHBondContact O-NE2 3.04Å; G39-H73 WeakPolarHBondContact CA-CD2 3.39Å; G39-H73 VanDerWaalsContact CA-CG 3.41Å; G39-H73 PolarHBondContact N-CD2 3.27Å; G39-H73 PolarHBondContact N-NE2 3.5Å; G68-H73 PolarHBondContact O-N 3.2Å; S71-H73 WeakPolarHBondContact CB-CD2 3.3Å; S71-H73 VanDerWaalsContact CB-NE2 3.3Å; S71-H73 WeakPolarHBondContact CB-NE2 3.46Å; H73-A75 VanDerWaalsContact C-N 3.35Å; H73-A75 PolarHBondContact O-N 3.48Å; H73-V76 HydrophobicContact CB-CB 4Å; H73-V76 HydrophobicContact CB-CG2 4.16Å; H73-V76 PolarHBondContact O-N 3.34Å; H73-C77 PolarHBondContact O-N 3.42Å; H73-C77 PolarHBondContact O-SG 3.08Å
74	L	98.9	Very high	98.7	Very high	75 Å²	75	35.2 Å²	35.2	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-52.5	-48.2	-176.1	-178.1	66.2	0	0	0	113.1	G72 V76 C77 A78 D108 V109 L112	G72-L74 PolarHBondContact O-N 2.81Å; L74-V76 VanDerWaalsContact C-N 3.33Å; L74-V76 PolarHBondContact O-N 3.38Å; L74-C77 PolarHBondContact O-N 3.01Å; L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.28Å; L74-D108 HydrophobicContact CD1-CB 4.22Å; L74-D108 HydrophobicContact CD2-CB 4.07Å; L74-V109 HydrophobicContact CB-CG2 4.44Å; L74-V109 HydrophobicContact CD1-CG2 4.42Å; L74-L112 HydrophobicContact CD1-CB 3.84Å; L74-L112 HydrophobicContact CD1-CD2 3.64Å; L74-L112 HydrophobicContact CD1-CG 4.32Å
75	A	98.8	Very high	98.7	Very high	58 Å²	58	35.4 Å²	35.4	48%	0.479	20%	0.203	S	C	.	.	H	α-helix	trans	-65.7	-35.4	-176.9	0	0	0	0	0	112.7	L41 H73 F79	L41-A75 HydrophobicContact CD2-CB 4.07Å; H73-A75 VanDerWaalsContact C-N 3.35Å; H73-A75 PolarHBondContact O-N 3.48Å; A75-F79 WeakPolarHBondContact O-CB 3.32Å; A75-F79 PolarHBondContact O-N 3.29Å; A75-F79 VanDerWaalsContact O-N 3.12Å
76	V	98.9	Very high	98.7	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-48.3	172.8	167.2	0	0	0	0	110.4	A36 L41 V44 H73 L74 A78 F79 L80	A36-V76 HydrophobicContact CB-CG1 3.82Å; L41-V76 HydrophobicContact CB-CG2 4.17Å; L41-V76 HydrophobicContact CD1-CG2 4.48Å; V44-V76 HydrophobicContact CG2-CG1 4.2Å; H73-V76 HydrophobicContact CB-CB 4Å; H73-V76 HydrophobicContact CB-CG2 4.16Å; H73-V76 PolarHBondContact O-N 3.34Å; L74-V76 VanDerWaalsContact C-N 3.33Å; L74-V76 PolarHBondContact O-N 3.38Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.48Å; V76-F79 PolarHBondContact O-N 2.9Å; V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.36Å; V76-L80 WeakPolarHBondContact O-CG 3.48Å; V76-L80 PolarHBondContact O-N 2.85Å
77	C	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-43.9	179.7	-63.7	0	0	0	0	111.5	L65 S69 H73 L74 L80 L81 L112	L65-C77 HydrophobicContact CD1-CB 3.85Å; S69-C77 PolarHBondContact N-SG 3.03Å; H73-C77 PolarHBondContact O-N 3.42Å; H73-C77 PolarHBondContact O-SG 3.08Å; L74-C77 PolarHBondContact O-N 3.01Å; C77-L80 PolarHBondContact O-N 2.89Å; C77-L81 WeakPolarHBondContact O-CD1 3.29Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.49Å; C77-L81 PolarHBondContact O-N 3.43Å; C77-L112 HydrophobicContact CB-CD2 3.69Å
78	A	98.9	Very high	98.6	Very high	21 Å²	21	38.4 Å²	38.4	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-50.1	178.7	0	0	0	0	0	110.8	L74 V76 L80 L81 E82 L112	L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.28Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.48Å; A78-L80 PolarHBondContact O-N 3.33Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-E82 WeakPolarHBondContact O-CB 3.21Å; A78-E82 VanDerWaalsContact O-CG 3.3Å; A78-E82 WeakPolarHBondContact O-CG 3.47Å; A78-E82 PolarHBondContact O-N 3.24Å; A78-L112 HydrophobicContact CB-CD1 4.32Å; A78-L112 HydrophobicContact CB-CD2 3.87Å
79	F	98.8	Very high	98.6	Very high	19 Å²	19	39 Å²	39	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.7	175.6	-100.4	0	0	0	112.8	L41 V44 R45 V48 A75 V76 L81 E82 S83	L41-F79 HydrophobicContact CD1-CB 3.66Å; L41-F79 HydrophobicContact CD1-CD1 4.31Å; L41-F79 HydrophobicContact CD1-CG 4Å; V44-F79 HydrophobicContact CG1-CD1 3.79Å; V44-F79 HydrophobicContact CG1-CE1 4Å; R45-F79 HydrophobicContact CB-CE1 4.27Å; R45-F79 HydrophobicContact CB-CZ 4.12Å; R45-F79 HydrophobicContact CG-CD1 4Å; R45-F79 HydrophobicContact CG-CD2 3.91Å; R45-F79 HydrophobicContact CG-CE1 3.76Å; R45-F79 HydrophobicContact CG-CE2 3.67Å; R45-F79 HydrophobicContact CG-CG 4.07Å; R45-F79 HydrophobicContact CG-CZ 3.59Å; V48-F79 HydrophobicContact CB-CE1 4.04Å; V48-F79 HydrophobicContact CB-CZ 4.22Å; V48-F79 HydrophobicContact CG1-CE1 4.38Å; V48-F79 HydrophobicContact CG1-CZ 4.28Å; V48-F79 HydrophobicContact CG2-CE1 3.99Å; A75-F79 WeakPolarHBondContact O-CB 3.32Å; A75-F79 PolarHBondContact O-N 3.29Å; A75-F79 VanDerWaalsContact O-N 3.12Å; V76-F79 PolarHBondContact O-N 2.9Å; F79-L81 PolarHBondContact O-N 3.13Å; F79-E82 PolarHBondContact O-N 3.39Å; F79-S83 WeakPolarHBondContact CE2-OG 3.31Å; F79-S83 VanDerWaalsContact CZ-OG 3.28Å; F79-S83 WeakPolarHBondContact CZ-OG 3.42Å; F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.5Å; F79-S83 PolarHBondContact O-N 3.37Å; F79-S83 PolarHBondContact O-OG 3.41Å
80	L	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.3	-73.6	169.4	0	0	0	111.3	I32 V44 P54 A64 L65 V76 C77 A78 S83 G84 A85	I32-L80 HydrophobicContact CD1-CD2 4.29Å; V44-L80 HydrophobicContact CG1-CD2 3.75Å; V44-L80 HydrophobicContact CG1-CG 4.15Å; P54-L80 HydrophobicContact CB-CD2 4.11Å; A64-L80 HydrophobicContact CB-CD1 3.71Å; A64-L80 HydrophobicContact CB-CD2 3.99Å; L65-L80 HydrophobicContact CB-CD1 4.32Å; L65-L80 HydrophobicContact CD1-CB 4.43Å; L65-L80 HydrophobicContact CD1-CD1 4.5Å; V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.36Å; V76-L80 WeakPolarHBondContact O-CG 3.48Å; V76-L80 PolarHBondContact O-N 2.85Å; C77-L80 PolarHBondContact O-N 2.89Å; A78-L80 PolarHBondContact O-N 3.33Å; L80-S83 CarbonylContact O-C 3.54Å; L80-S83 PolarHBondContact O-N 3.23Å; L80-G84 PolarHBondContact O-N 2.82Å; L80-A85 HydrophobicContact CB-CB 4.04Å; L80-A85 WeakPolarHBondContact O-CB 3.12Å; L80-A85 PolarHBondContact O-N 3.06Å
81	L	98.8	Very high	98.5	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-44.6	177.5	-70.4	160.5	0	0	0	111.8	L65 C77 A78 F79 S83 G84 P87 L112 L113	L65-L81 HydrophobicContact CD1-CD1 4.38Å; L65-L81 HydrophobicContact CD1-CG 4.18Å; L65-L81 HydrophobicContact CD2-CD2 3.76Å; L65-L81 HydrophobicContact CD2-CG 4.23Å; C77-L81 WeakPolarHBondContact O-CD1 3.29Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.49Å; C77-L81 PolarHBondContact O-N 3.43Å; A78-L81 PolarHBondContact O-N 3.14Å; F79-L81 PolarHBondContact O-N 3.13Å; L81-S83 PolarHBondContact O-N 3.12Å; L81-G84 PolarHBondContact O-N 3.33Å; L81-P87 HydrophobicContact CD2-CB 4.05Å; L81-P87 HydrophobicContact CD2-CG 4.01Å; L81-L112 HydrophobicContact CD1-CD1 4.37Å; L81-L112 HydrophobicContact CD1-CD2 4.01Å; L81-L112 HydrophobicContact CD1-CG 3.88Å; L81-L113 HydrophobicContact CD1-CD2 4.26Å
82	E	98.6	Very high	98.5	Very high	151 Å²	151	41.7 Å²	41.7	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-59.3	-31.3	172.9	-72.6	167.7	-172.9	0	0	112.2	A78 F79 G84	A78-E82 WeakPolarHBondContact O-CB 3.21Å; A78-E82 VanDerWaalsContact O-CG 3.3Å; A78-E82 WeakPolarHBondContact O-CG 3.47Å; A78-E82 PolarHBondContact O-N 3.24Å; F79-E82 PolarHBondContact O-N 3.39Å; E82-G84 VanDerWaalsContact C-N 3.25Å; E82-G84 PolarHBondContact O-N 3.04Å
83	S	98.4	Very high	98.4	Very high	40 Å²	40	42.1 Å²	42.1	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	6.4	177.5	-55.7	0	0	0	0	113.6	P54 F79 L80 L81	P54-S83 WeakPolarHBondContact CG-O 3.35Å; F79-S83 WeakPolarHBondContact CE2-OG 3.31Å; F79-S83 VanDerWaalsContact CZ-OG 3.28Å; F79-S83 WeakPolarHBondContact CZ-OG 3.42Å; F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.5Å; F79-S83 PolarHBondContact O-N 3.37Å; F79-S83 PolarHBondContact O-OG 3.41Å; L80-S83 CarbonylContact O-C 3.54Å; L80-S83 PolarHBondContact O-N 3.23Å; L81-S83 PolarHBondContact O-N 3.12Å
84	G	98.1	Very high	98.4	Very high	49 Å²	49	39.4 Å²	39.4	51%	0.505	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	17.9	177.1	0	0	0	0	0	115	N55 L80 L81 E82 C86	N55-G84 PolarHBondContact ND2-O 3.15Å; L80-G84 PolarHBondContact O-N 2.82Å; L81-G84 PolarHBondContact O-N 3.33Å; E82-G84 VanDerWaalsContact C-N 3.25Å; E82-G84 PolarHBondContact O-N 3.04Å; G84-C86 PolarHBondContact O-N 3.45Å
85	A	98.6	Very high	98.3	Very high	6 Å²	6	36.3 Å²	36.3	5%	0.05	23%	0.23	C	C	.	.			trans	-60.6	134.3	166.3	0	0	0	0	0	110.1	P54 N55 L65 L80	P54-A85 HydrophobicContact CB-CB 4.23Å; N55-A85 WeakPolarHBondContact OD1-CA 3.37Å; L65-A85 HydrophobicContact CD2-CB 4.39Å; L80-A85 HydrophobicContact CB-CB 4.04Å; L80-A85 WeakPolarHBondContact O-CB 3.12Å; L80-A85 PolarHBondContact O-N 3.06Å
86	C	98.4	Very high	98.3	Very high	55 Å²	55	33.6 Å²	33.6	37%	0.372	21%	0.207	S	C	.	.			trans	-58.5	132.8	170	-179	0	0	0	0	108.9	N55 L65 G84 S88 P89	N55-C86 WeakPolarHBondContact OD1-CB 3.37Å; N55-C86 PolarHBondContact OD1-N 3.46Å; L65-C86 WeakPolarHBondContact CD2-O 3.37Å; G84-C86 PolarHBondContact O-N 3.45Å; C86-S88 VanDerWaalsContact C-N 3.31Å; C86-S88 PolarHBondContact O-N 3.48Å; C86-P89 WeakPolarHBondContact O-CD 3.39Å
87	P	98	Very high	98.3	Very high	32 Å²	32	33.5 Å²	33.5	21%	0.208	21%	0.207	C	C	.	.	S	Bend	trans	-72.5	-21.1	176.6	-19.6	30.9	0	0	0	114	L81 P89 S116 A118	L81-P87 HydrophobicContact CD2-CB 4.05Å; L81-P87 HydrophobicContact CD2-CG 4.01Å; P87-P89 VanDerWaalsContact C-CD 3.44Å; P87-S116 WeakPolarHBondContact CG-O 3.48Å; P87-A118 HydrophobicContact CB-CB 4Å; P87-A118 WeakPolarHBondContact O-CB 3.37Å
88	S	98.3	Very high	98.3	Very high	22 Å²	22	33.5 Å²	33.5	15%	0.154	21%	0.207	C	C	.	.	S	Bend	trans	-133	49.1	-177.6	-65.7	0	0	0	0	114.5	C86 R90 A118 D119	C86-S88 VanDerWaalsContact C-N 3.31Å; C86-S88 PolarHBondContact O-N 3.48Å; S88-R90 PolarHBondContact O-N 3.41Å; S88-A118 VanDerWaalsContact OG-CA 3.26Å; S88-A118 WeakPolarHBondContact OG-CA 3.42Å; S88-D119 PolarHBondContact OG-N 2.68Å
89	P	98	Very high	98.3	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.084	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-63	136.6	171	27.2	-33.9	0	0	0	108.4	T63 H66 C86 P87 T96 P97	T63-P89 HydrophobicContact CG2-CB 4.02Å; T63-P89 HydrophobicContact CG2-CG 4.16Å; H66-P89 PolarHBondContact CE1-O 3.21Å; H66-P89 VanDerWaalsContact CE1-O 3.3Å; H66-P89 PolarHBondContact NE2-O 3.01Å; C86-P89 WeakPolarHBondContact O-CD 3.39Å; P87-P89 VanDerWaalsContact C-CD 3.44Å; P89-T96 WeakPolarHBondContact O-CA 3.47Å; P89-P97 HydrophobicContact CG-CG 3.79Å
90	R	98.1	Very high	98.3	Very high	110 Å²	110	35.1 Å²	35.1	42%	0.415	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-101.3	135	177	-61.4	-178.8	77.4	-165.4	0.3	110.3	K57 S88 G94 A95 T96 C123	K57-R90 PolarHBondContact NZ-O 3.02Å; S88-R90 PolarHBondContact O-N 3.41Å; R90-G94 PolarHBondContact NE-O 2.93Å; R90-A95 WeakPolarHBondContact CA-O 3.38Å; R90-T96 HydrophobicContact CG-CG2 4.08Å; R90-C123 PolarHBondContact NH2-O 2.99Å
91	T	98.2	Very high	98.3	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.067	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.4	170.1	163.9	69	0	0	0	0	109.9	Y62 G93 G94 A95	Y62-T91 HydrophobicContact CD1-CG2 3.94Å; Y62-T91 HydrophobicContact CD2-CG2 4.15Å; Y62-T91 HydrophobicContact CE1-CG2 3.79Å; Y62-T91 HydrophobicContact CE2-CG2 4Å; Y62-T91 HydrophobicContact CG-CG2 4.09Å; T91-G93 PolarHBondContact O-N 3.23Å; T91-G94 WeakPolarHBondContact O-CA 3.43Å; T91-G94 PolarHBondContact O-N 2.88Å; T91-A95 PolarHBondContact N-O 3.23Å; T91-A95 PolarHBondContact OG1-N 3.48Å
92	P	97.6	Very high	98.3	Very high	104 Å²	104	33.9 Å²	33.9	68%	0.675	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.2	174.8	-28.8	36.5	0	0	0	113.5	A60 G94	A60-P92 VanDerWaalsContact O-CD 3.29Å; A60-P92 WeakPolarHBondContact O-CD 3.43Å; P92-G94 PolarHBondContact O-N 3.27Å
93	G	97.1	Very high	98.3	Very high	32 Å²	32	31.2 Å²	31.2	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	10.8	174.4	0	0	0	0	0	114.5	T91 A95 D124 D125	T91-G93 PolarHBondContact O-N 3.23Å; G93-A95 VanDerWaalsContact C-N 3.28Å; G93-A95 PolarHBondContact O-N 2.87Å; G93-D124 WeakPolarHBondContact O-CA 3.27Å; G93-D124 VanDerWaalsContact O-CB 3.3Å; G93-D124 WeakPolarHBondContact O-CB 3.47Å; G93-D125 WeakPolarHBondContact CA-OD2 3.24Å; G93-D125 PolarHBondContact O-N 3.29Å
94	G	97.8	Very high	98.3	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	19%	0.186	C	C	.	.			trans	79.5	-5.1	176.6	0	0	0	0	0	116.3	R90 T91 P92	R90-G94 PolarHBondContact NE-O 2.93Å; T91-G94 WeakPolarHBondContact O-CA 3.43Å; T91-G94 PolarHBondContact O-N 2.88Å; P92-G94 PolarHBondContact O-N 3.27Å
95	A	98.1	Very high	98.4	Very high	11 Å²	11	29.9 Å²	29.9	9%	0.091	17%	0.171	C	C	.	.			trans	-66.8	145.7	-179.7	0	0	0	0	0	112	H66 R90 T91 G93	H66-A95 PolarHBondContact NE2-O 3.41Å; R90-A95 WeakPolarHBondContact CA-O 3.38Å; T91-A95 PolarHBondContact N-O 3.23Å; T91-A95 PolarHBondContact OG1-N 3.48Å; G93-A95 VanDerWaalsContact C-N 3.28Å; G93-A95 PolarHBondContact O-N 2.87Å
96	T	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.			trans	-116.3	168.6	178.1	71.6	0	0	0	0	111.4	P89 R90 L98 H99 R100 L122	P89-T96 WeakPolarHBondContact O-CA 3.47Å; R90-T96 HydrophobicContact CG-CG2 4.08Å; T96-L98 PolarHBondContact O-N 2.92Å; T96-L98 PolarHBondContact OG1-N 3.41Å; T96-H99 PolarHBondContact N-ND1 3.35Å; T96-H99 VanDerWaalsContact N-ND1 3.15Å; T96-H99 WeakPolarHBondContact O-CB 3.45Å; T96-H99 PolarHBondContact O-N 3.04Å; T96-H99 PolarHBondContact OG1-N 3.29Å; T96-H99 PolarHBondContact OG1-ND1 2.93Å; T96-R100 PolarHBondContact O-N 3.41Å; T96-L122 HydrophobicContact CG2-CB 4.31Å; T96-L122 HydrophobicContact CG2-CD1 3.91Å
97	P	98.8	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-34.1	172.7	-25.6	35.5	0	0	0	112.7	L65 S69 P89 H99 R100 A101 L113	L65-P97 HydrophobicContact CB-CG 4.25Å; L65-P97 HydrophobicContact CD2-CB 4.3Å; L65-P97 HydrophobicContact CD2-CG 3.95Å; L65-P97 HydrophobicContact CG-CB 3.94Å; L65-P97 HydrophobicContact CG-CG 3.87Å; S69-P97 WeakPolarHBondContact CB-O 3.28Å; S69-P97 WeakPolarHBondContact OG-CB 3.38Å; P89-P97 HydrophobicContact CG-CG 3.79Å; P97-H99 VanDerWaalsContact C-N 3.35Å; P97-H99 PolarHBondContact O-N 2.94Å; P97-R100 WeakPolarHBondContact O-CB 3.5Å; P97-R100 PolarHBondContact O-N 3.45Å; P97-R100 VanDerWaalsContact O-N 3.08Å; P97-A101 PolarHBondContact O-N 2.92Å; P97-L113 HydrophobicContact CB-CD1 4.17Å; P97-L113 HydrophobicContact CB-CD2 4.2Å
98	L	98.8	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-36.1	176.7	-173.2	60.6	0	0	0	112.4	T96 R100 A102 V110 L113 L114 A118 P120 P130 L146	T96-L98 PolarHBondContact O-N 2.92Å; T96-L98 PolarHBondContact OG1-N 3.41Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 3.43Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.36Å; L98-V110 HydrophobicContact CD1-CB 4.28Å; L98-V110 HydrophobicContact CD1-CG1 4.01Å; L98-V110 HydrophobicContact CD1-CG2 4.11Å; L98-L113 HydrophobicContact CB-CD1 4.18Å; L98-L113 HydrophobicContact CD1-CB 4.24Å; L98-L113 HydrophobicContact CD1-CD1 4.14Å; L98-L114 HydrophobicContact CD1-CD2 4.41Å; L98-L114 HydrophobicContact CD1-CG 4.44Å; L98-L114 HydrophobicContact CD2-CD2 3.73Å; L98-A118 HydrophobicContact CD2-CB 4.46Å; L98-P120 HydrophobicContact CD2-CB 3.84Å; L98-P130 HydrophobicContact CB-CG 4.28Å; L98-P130 HydrophobicContact CD2-CB 4.38Å; L98-P130 HydrophobicContact CD2-CG 3.94Å; L98-P130 HydrophobicContact CG-CB 3.98Å; L98-P130 HydrophobicContact CG-CG 3.82Å; L98-L146 HydrophobicContact CD1-CD2 4.27Å; L98-L146 HydrophobicContact CD2-CD2 4.17Å; L98-L146 HydrophobicContact CG-CD2 4.39Å
99	H	98.8	Very high	98.4	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-39.7	171.4	-69.1	80.5	0	0	0	111.5	T96 P97 Y103 L122 V128	T96-H99 PolarHBondContact N-ND1 3.35Å; T96-H99 VanDerWaalsContact N-ND1 3.15Å; T96-H99 WeakPolarHBondContact O-CB 3.45Å; T96-H99 PolarHBondContact O-N 3.04Å; T96-H99 PolarHBondContact OG1-N 3.29Å; T96-H99 PolarHBondContact OG1-ND1 2.93Å; P97-H99 VanDerWaalsContact C-N 3.35Å; P97-H99 PolarHBondContact O-N 2.94Å; H99-Y103 VanDerWaalsContact O-CB 3.28Å; H99-Y103 WeakPolarHBondContact O-CB 3.02Å; H99-Y103 PolarHBondContact O-N 3.18Å; H99-L122 PolarHBondContact CE1-O 3.32Å; H99-L122 PolarHBondContact NE2-O 3.27Å; H99-V128 PolarHBondContact NE2-O 3.31Å
100	R	98.7	Very high	98.5	Very high	69 Å²	69	32.6 Å²	32.6	26%	0.26	18%	0.178	S	C	.	.	H	α-helix	trans	-70.8	-46.3	-179.5	-65.5	-62.2	178.3	-173.2	0.1	112.2	Y62 R70 T96 P97 L98 A102 Y103 C104	Y62-R100 PolarHBondContact OH-NH2 3.06Å; R70-R100 HydrophobicContact CB-CB 4.08Å; T96-R100 PolarHBondContact O-N 3.41Å; P97-R100 WeakPolarHBondContact O-CB 3.5Å; P97-R100 PolarHBondContact O-N 3.45Å; P97-R100 VanDerWaalsContact O-N 3.08Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 3.43Å; R100-A102 VanDerWaalsContact C-N 3.27Å; R100-A102 PolarHBondContact O-N 3.01Å; R100-Y103 PolarHBondContact O-N 3.29Å; R100-C104 WeakPolarHBondContact O-CB 3.28Å; R100-C104 PolarHBondContact O-N 3.32Å
101	A	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-38.4	174.5	0	0	0	0	0	111.7	S69 P97 G105 H106 V109 V110 L113	S69-A101 WeakPolarHBondContact O-CA 3.08Å; P97-A101 PolarHBondContact O-N 2.92Å; A101-G105 PolarHBondContact O-N 3.48Å; A101-H106 PolarHBondContact O-N 3.43Å; A101-V109 HydrophobicContact CB-CB 4.18Å; A101-V109 HydrophobicContact CB-CG1 3.68Å; A101-V110 HydrophobicContact CB-CG2 3.76Å; A101-L113 HydrophobicContact CB-CD1 4.17Å
102	A	98.8	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.4	-43.3	179.7	0	0	0	0	0	113	L98 R100 C104 G105 P130 A134 H139 V142 L146	L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.36Å; R100-A102 VanDerWaalsContact C-N 3.27Å; R100-A102 PolarHBondContact O-N 3.01Å; A102-C104 VanDerWaalsContact C-N 3.33Å; A102-C104 PolarHBondContact O-N 3.36Å; A102-G105 PolarHBondContact O-N 3.36Å; A102-P130 HydrophobicContact CB-CB 3.9Å; A102-P130 WeakPolarHBondContact CB-O 3.22Å; A102-A134 HydrophobicContact CB-CB 4.26Å; A102-H139 PolarHBondContact O-CD2 3.36Å; A102-V142 HydrophobicContact CB-CG1 3.93Å; A102-L146 HydrophobicContact CB-CD1 4.38Å
103	Y	98.6	Very high	98.6	Very high	95 Å²	95	27.8 Å²	27.8	37%	0.373	15%	0.147	S	C	.	.	H	α-helix	trans	-63.3	-37.5	174.9	-179.4	-92.8	0	0	0	112.6	H99 R100 K133 Q137 H139	H99-Y103 VanDerWaalsContact O-CB 3.28Å; H99-Y103 WeakPolarHBondContact O-CB 3.02Å; H99-Y103 PolarHBondContact O-N 3.18Å; R100-Y103 PolarHBondContact O-N 3.29Å; Y103-K133 HydrophobicContact CD2-CB 4.36Å; Y103-K133 HydrophobicContact CD2-CD 4.11Å; Y103-Q137 HydrophobicContact CD2-CG 3.77Å; Y103-Q137 HydrophobicContact CE2-CG 3.84Å; Y103-Q137 HydrophobicContact CG-CG 4.33Å; Y103-Q137 WeakPolarHBondContact O-CG 3.48Å; Y103-H139 PolarHBondContact O-CD2 3.37Å; Y103-H139 PolarHBondContact O-NE2 3.49Å
104	C	98.6	Very high	98.7	Very high	40 Å²	40	26.9 Å²	26.9	27%	0.27	13%	0.134	S	C	.	.	H	α-helix	trans	-89.7	-3.7	-178.5	-67.5	0	0	0	0	114.1	R70 R100 A102 H106	R70-C104 WeakPolarHBondContact O-CB 3.15Å; R70-C104 PolarHBondContact O-SG 3Å; R100-C104 WeakPolarHBondContact O-CB 3.28Å; R100-C104 PolarHBondContact O-N 3.32Å; A102-C104 VanDerWaalsContact C-N 3.33Å; A102-C104 PolarHBondContact O-N 3.36Å; C104-H106 WeakPolarHBondContact CB-NE2 3.43Å
105	G	98.5	Very high	98.7	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	35.3	172.8	0	0	0	0	0	115.1	A101 A102 P107 H139	A101-G105 PolarHBondContact O-N 3.48Å; A102-G105 PolarHBondContact O-N 3.36Å; G105-P107 WeakPolarHBondContact O-CD 3.49Å; G105-H139 WeakPolarHBondContact CA-CD2 3.38Å; G105-H139 VanDerWaalsContact CA-CG 3.46Å; G105-H139 WeakPolarHBondContact CA-NE2 3.42Å; G105-H139 PolarHBondContact N-CD2 2.95Å; G105-H139 VanDerWaalsContact N-CD2 3.29Å; G105-H139 PolarHBondContact N-NE2 3.17Å
106	H	98.8	Very high	98.7	Very high	51 Å²	51	35.3 Å²	35.3	24%	0.236	18%	0.176	C	C	.	.			trans	-100	85	-176.7	-62.3	-52.3	0	0	0	112.4	S69 R70 G72 A101 C104 D108 V109 V110	S69-H106 PolarHBondContact O-CD2 2.98Å; R70-H106 PolarHBondContact O-CD2 3.02Å; R70-H106 PolarHBondContact O-NE2 3.28Å; G72-H106 WeakPolarHBondContact CA-CD2 3.41Å; G72-H106 VanDerWaalsContact CA-CG 3.41Å; G72-H106 PolarHBondContact N-CD2 3.5Å; G72-H106 PolarHBondContact N-NE2 3.5Å; A101-H106 PolarHBondContact O-N 3.43Å; C104-H106 WeakPolarHBondContact CB-NE2 3.43Å; H106-D108 VanDerWaalsContact C-N 3.33Å; H106-D108 PolarHBondContact O-N 3.03Å; H106-V109 HydrophobicContact CB-CB 4.06Å; H106-V109 HydrophobicContact CB-CG2 4.21Å; H106-V109 PolarHBondContact O-N 3.37Å; H106-V110 WeakPolarHBondContact O-CG2 3.44Å; H106-V110 PolarHBondContact O-N 2.81Å
107	P	98.7	Very high	98.7	Very high	37 Å²	37	38 Å²	38	24%	0.24	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-35.3	-172.2	25.5	-36.3	0	0	0	113.8	G105 V110 R111 K141 V142 L145	G105-P107 WeakPolarHBondContact O-CD 3.49Å; P107-V110 PolarHBondContact O-N 2.73Å; P107-R111 WeakPolarHBondContact O-CB 2.97Å; P107-R111 PolarHBondContact O-N 3.21Å; P107-K141 HydrophobicContact CB-CG 3.98Å; P107-K141 HydrophobicContact CG-CG 4.46Å; P107-V142 HydrophobicContact CB-CG2 4.37Å; P107-L145 HydrophobicContact CB-CD1 3.64Å; P107-L145 WeakPolarHBondContact O-CD1 3.35Å
108	D	98.8	Very high	98.6	Very high	96 Å²	96	38.2 Å²	38.2	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-70.2	-39.4	-178.9	-62.8	-35.4	0	0	0	111.7	L74 H106 R111 L112	L74-D108 HydrophobicContact CD1-CB 4.22Å; L74-D108 HydrophobicContact CD2-CB 4.07Å; H106-D108 VanDerWaalsContact C-N 3.33Å; H106-D108 PolarHBondContact O-N 3.03Å; D108-R111 PolarHBondContact O-N 3.43Å; D108-L112 WeakPolarHBondContact O-CB 3.38Å; D108-L112 PolarHBondContact O-N 2.75Å
109	V	98.9	Very high	98.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-42.6	172.8	174.6	0	0	0	0	110.9	L74 A101 H106 R111 L112 L113	L74-V109 HydrophobicContact CB-CG2 4.44Å; L74-V109 HydrophobicContact CD1-CG2 4.42Å; A101-V109 HydrophobicContact CB-CB 4.18Å; A101-V109 HydrophobicContact CB-CG1 3.68Å; H106-V109 HydrophobicContact CB-CB 4.06Å; H106-V109 HydrophobicContact CB-CG2 4.21Å; H106-V109 PolarHBondContact O-N 3.37Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.9Å; V109-L112 PolarHBondContact O-N 3.44Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 VanDerWaalsContact O-CG 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.3Å
110	V	98.9	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-48.7	174.6	166	0	0	0	0	110.4	L98 A101 H106 P107 L112 L113 L114 V142 L145 L146	L98-V110 HydrophobicContact CD1-CB 4.28Å; L98-V110 HydrophobicContact CD1-CG1 4.01Å; L98-V110 HydrophobicContact CD1-CG2 4.11Å; A101-V110 HydrophobicContact CB-CG2 3.76Å; H106-V110 WeakPolarHBondContact O-CG2 3.44Å; H106-V110 PolarHBondContact O-N 2.81Å; P107-V110 PolarHBondContact O-N 2.73Å; V110-L112 PolarHBondContact O-N 2.91Å; V110-L113 PolarHBondContact O-N 2.97Å; V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.46Å; V110-L114 PolarHBondContact O-N 2.92Å; V110-V142 HydrophobicContact CG2-CG1 3.99Å; V110-V142 HydrophobicContact CG2-CG2 4.24Å; V110-L145 HydrophobicContact CG1-CB 4.13Å; V110-L145 HydrophobicContact CG1-CD1 4.35Å; V110-L146 HydrophobicContact CG1-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CG 4.4Å
111	R	98.8	Very high	98.4	Very high	96 Å²	96	41.2 Å²	41.2	36%	0.362	23%	0.23	S	C	.	.	H	α-helix	trans	-58.4	-48.2	178	-171.9	-170.6	-54.1	-76.4	1.6	111.5	P107 D108 V109 L113 L114 Q115 L145	P107-R111 WeakPolarHBondContact O-CB 2.97Å; P107-R111 PolarHBondContact O-N 3.21Å; D108-R111 PolarHBondContact O-N 3.43Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.9Å; R111-L113 PolarHBondContact O-N 3.37Å; R111-L114 PolarHBondContact O-N 3.36Å; R111-Q115 HydrophobicContact CG-CG 4.49Å; R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 VanDerWaalsContact O-CG 3.26Å; R111-Q115 WeakPolarHBondContact O-CG 3.11Å; R111-Q115 PolarHBondContact O-N 3.24Å; R111-L145 VanDerWaalsContact NH1-CD2 3.35Å
112	L	98.8	Very high	98.4	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-47.8	178.5	173.4	68.4	0	0	0	112	L74 C77 A78 L81 D108 V109 V110 L114 Q115 S116	L74-L112 HydrophobicContact CD1-CB 3.84Å; L74-L112 HydrophobicContact CD1-CD2 3.64Å; L74-L112 HydrophobicContact CD1-CG 4.32Å; C77-L112 HydrophobicContact CB-CD2 3.69Å; A78-L112 HydrophobicContact CB-CD1 4.32Å; A78-L112 HydrophobicContact CB-CD2 3.87Å; L81-L112 HydrophobicContact CD1-CD1 4.37Å; L81-L112 HydrophobicContact CD1-CD2 4.01Å; L81-L112 HydrophobicContact CD1-CG 3.88Å; D108-L112 WeakPolarHBondContact O-CB 3.38Å; D108-L112 PolarHBondContact O-N 2.75Å; V109-L112 PolarHBondContact O-N 3.44Å; V110-L112 PolarHBondContact O-N 2.91Å; L112-L114 PolarHBondContact O-N 3.32Å; L112-Q115 PolarHBondContact O-N 3.27Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 2.94Å; L112-S116 PolarHBondContact O-OG 2.94Å
113	L	98.8	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-45.6	179.7	-72.8	170.5	0	0	0	111.2	L65 L81 P97 L98 A101 V109 V110 R111 S116 G117 A118	L65-L113 HydrophobicContact CD1-CD2 4.18Å; L65-L113 HydrophobicContact CD2-CD2 4Å; L65-L113 HydrophobicContact CG-CD2 4.25Å; L81-L113 HydrophobicContact CD1-CD2 4.26Å; P97-L113 HydrophobicContact CB-CD1 4.17Å; P97-L113 HydrophobicContact CB-CD2 4.2Å; L98-L113 HydrophobicContact CB-CD1 4.18Å; L98-L113 HydrophobicContact CD1-CB 4.24Å; L98-L113 HydrophobicContact CD1-CD1 4.14Å; A101-L113 HydrophobicContact CB-CD1 4.17Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 VanDerWaalsContact O-CG 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.3Å; V110-L113 PolarHBondContact O-N 2.97Å; R111-L113 PolarHBondContact O-N 3.37Å; L113-S116 CarbonylContact O-C 3.52Å; L113-S116 PolarHBondContact O-N 3.42Å; L113-G117 PolarHBondContact O-N 2.62Å; L113-A118 HydrophobicContact CB-CB 3.94Å; L113-A118 WeakPolarHBondContact O-CB 3.48Å; L113-A118 PolarHBondContact O-N 2.95Å
114	L	98.6	Very high	98.2	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-40.1	177.9	-65.8	172.5	0	0	0	112.2	L98 V110 R111 L112 S116 G117 P120 L146 R149	L98-L114 HydrophobicContact CD1-CD2 4.41Å; L98-L114 HydrophobicContact CD1-CG 4.44Å; L98-L114 HydrophobicContact CD2-CD2 3.73Å; V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.46Å; V110-L114 PolarHBondContact O-N 2.92Å; R111-L114 PolarHBondContact O-N 3.36Å; L112-L114 PolarHBondContact O-N 3.32Å; L114-S116 PolarHBondContact O-N 3.1Å; L114-G117 PolarHBondContact O-N 2.96Å; L114-P120 HydrophobicContact CD2-CB 3.93Å; L114-P120 HydrophobicContact CD2-CG 4.16Å; L114-L146 HydrophobicContact CD1-CD2 4.37Å; L114-L146 HydrophobicContact CD2-CD2 4.45Å; L114-R149 HydrophobicContact CD1-CB 4.06Å; L114-R149 HydrophobicContact CD1-CG 4.37Å; L114-R149 HydrophobicContact CD2-CG 4.14Å
115	Q	98.4	Very high	98.1	Very high	144 Å²	144	43 Å²	43	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-64.8	-32.2	174.6	-75.7	172.8	-23.1	0	0	112.1	R111 L112 G117	R111-Q115 HydrophobicContact CG-CG 4.49Å; R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 VanDerWaalsContact O-CG 3.26Å; R111-Q115 WeakPolarHBondContact O-CG 3.11Å; R111-Q115 PolarHBondContact O-N 3.24Å; L112-Q115 PolarHBondContact O-N 3.27Å; Q115-G117 PolarHBondContact O-N 3.5Å
116	S	98.4	Very high	98	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	8.1	178.6	-52.2	0	0	0	0	113.1	P87 L112 L113 L114	P87-S116 WeakPolarHBondContact CG-O 3.48Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 2.94Å; L112-S116 PolarHBondContact O-OG 2.94Å; L113-S116 CarbonylContact O-C 3.52Å; L113-S116 PolarHBondContact O-N 3.42Å; L114-S116 PolarHBondContact O-N 3.1Å
117	G	97.8	Very high	98	Very high	56 Å²	56	45.3 Å²	45.3	58%	0.577	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	18	174.7	0	0	0	0	0	115.1	L113 L114 Q115 D119	L113-G117 PolarHBondContact O-N 2.62Å; L114-G117 PolarHBondContact O-N 2.96Å; Q115-G117 PolarHBondContact O-N 3.5Å; G117-D119 PolarHBondContact O-N 2.95Å
118	A	98.3	Very high	97.9	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	25%	0.25	C	C	.	.			trans	-62.5	134.8	170.5	0	0	0	0	0	110.9	P87 S88 L98 L113 P120	P87-A118 HydrophobicContact CB-CB 4Å; P87-A118 WeakPolarHBondContact O-CB 3.37Å; S88-A118 VanDerWaalsContact OG-CA 3.26Å; S88-A118 WeakPolarHBondContact OG-CA 3.42Å; L98-A118 HydrophobicContact CD2-CB 4.46Å; L113-A118 HydrophobicContact CB-CB 3.94Å; L113-A118 WeakPolarHBondContact O-CB 3.48Å; L113-A118 PolarHBondContact O-N 2.95Å; A118-P120 VanDerWaalsContact O-CD 3.29Å; A118-P120 WeakPolarHBondContact O-CD 3.25Å
119	D	97.8	Very high	97.9	Very high	62 Å²	62	39.6 Å²	39.6	33%	0.332	23%	0.225	S	C	.	.			trans	-85.8	111.3	-179.2	-179.1	-2.1	0	0	0	110.4	S88 G117 T121 L122	S88-D119 PolarHBondContact OG-N 2.68Å; G117-D119 PolarHBondContact O-N 2.95Å; D119-T121 VanDerWaalsContact CG-OG1 3.3Å; D119-T121 PolarHBondContact O-N 2.92Å; D119-T121 WeakPolarHBondContact OD1-CB 3.33Å; D119-T121 PolarHBondContact OD1-N 3.08Å; D119-T121 PolarHBondContact OD1-OG1 2.99Å; D119-T121 PolarHBondContact OD2-OG1 3.19Å; D119-L122 HydrophobicContact CB-CD1 3.96Å; D119-L122 HydrophobicContact CB-CG 3.87Å
120	P	97.4	Very high	97.8	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.084	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7	-179.3	36.6	-38.1	0	0	0	113.5	L98 L114 A118 P130 L146 C150 L153	L98-P120 HydrophobicContact CD2-CB 3.84Å; L114-P120 HydrophobicContact CD2-CB 3.93Å; L114-P120 HydrophobicContact CD2-CG 4.16Å; A118-P120 VanDerWaalsContact O-CD 3.29Å; A118-P120 WeakPolarHBondContact O-CD 3.25Å; P120-P130 WeakPolarHBondContact O-CD 3.38Å; P120-L146 HydrophobicContact CB-CD2 4.22Å; P120-C150 HydrophobicContact CG-CB 4.03Å; P120-L153 HydrophobicContact CB-CD1 4.04Å; P120-L153 WeakPolarHBondContact O-CD2 3.28Å
121	T	96.8	Very high	97.8	Very high	61 Å²	61	39.5 Å²	39.5	37%	0.374	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.3	-179.5	73.1	0	0	0	0	113.1	D119 C123 L153	D119-T121 VanDerWaalsContact CG-OG1 3.3Å; D119-T121 PolarHBondContact O-N 2.92Å; D119-T121 WeakPolarHBondContact OD1-CB 3.33Å; D119-T121 PolarHBondContact OD1-N 3.08Å; D119-T121 PolarHBondContact OD1-OG1 2.99Å; D119-T121 PolarHBondContact OD2-OG1 3.19Å; T121-C123 PolarHBondContact O-N 3.33Å; T121-L153 HydrophobicContact CG2-CD2 4.36Å
122	L	97.2	Very high	97.8	Very high	40 Å²	40	35 Å²	35	21%	0.209	21%	0.208	C	C	.	.			trans	-61.7	134.1	177	-64.9	177.3	0	0	0	110.9	T96 H99 D119	T96-L122 HydrophobicContact CG2-CB 4.31Å; T96-L122 HydrophobicContact CG2-CD1 3.91Å; H99-L122 PolarHBondContact CE1-O 3.32Å; H99-L122 PolarHBondContact NE2-O 3.27Å; D119-L122 HydrophobicContact CB-CD1 3.96Å; D119-L122 HydrophobicContact CB-CG 3.87Å
123	C	97.1	Very high	97.8	Very high	25 Å²	25	36 Å²	36	17%	0.169	21%	0.211	C	C	.	.			trans	-105.1	150.6	174.1	-68.5	0	0	0	0	111.7	R90 T121 G127 V128 Q156	R90-C123 PolarHBondContact NH2-O 2.99Å; T121-C123 PolarHBondContact O-N 3.33Å; C123-G127 PolarHBondContact SG-O 3.18Å; C123-V128 WeakPolarHBondContact CA-O 3.44Å; C123-Q156 PolarHBondContact SG-NE2 3.15Å
124	D	97.1	Very high	97.7	Very high	19 Å²	19	36 Å²	36	10%	0.102	21%	0.211	C	C	.	.			trans	-70	177	158.6	74.2	13.1	0	0	0	111.5	G93 D126 G127 V128 K133	G93-D124 WeakPolarHBondContact O-CA 3.27Å; G93-D124 VanDerWaalsContact O-CB 3.3Å; G93-D124 WeakPolarHBondContact O-CB 3.47Å; D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.1Å; D124-D126 WeakPolarHBondContact OD1-CA 3.38Å; D124-D126 WeakPolarHBondContact OD1-CB 3.36Å; D124-D126 PolarHBondContact OD1-N 2.97Å; D124-G127 PolarHBondContact O-N 3.45Å; D124-G127 PolarHBondContact OD1-N 2.93Å; D124-V128 PolarHBondContact N-O 3.48Å; D124-V128 WeakPolarHBondContact OD1-CA 3.18Å; D124-V128 WeakPolarHBondContact OD1-CB 3.3Å; D124-V128 PolarHBondContact OD1-N 3.35Å; D124-V128 WeakPolarHBondContact OD2-CB 3.43Å; D124-K133 IonicContact OD2-NZ 3.62Å
125	D	97.1	Very high	97.7	Very high	88 Å²	88	35.3 Å²	35.3	47%	0.471	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.5	-177.8	-74.4	-5.6	0	0	0	113.5	G93 G127 K159	G93-D125 WeakPolarHBondContact CA-OD2 3.24Å; G93-D125 PolarHBondContact O-N 3.29Å; D125-G127 VanDerWaalsContact C-N 3.31Å; D125-K159 WeakPolarHBondContact O-CD 3.25Å; D125-K159 WeakPolarHBondContact O-CE 3.45Å; D125-K159 PolarHBondContact O-NZ 3.43Å
126	D	96.6	Very high	97.6	Very high	107 Å²	107	33.1 Å²	33.1	57%	0.572	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	7.5	174.6	-70.5	-45.1	0	0	0	112.3	D124 V128 K159	D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.1Å; D124-D126 WeakPolarHBondContact OD1-CA 3.38Å; D124-D126 WeakPolarHBondContact OD1-CB 3.36Å; D124-D126 PolarHBondContact OD1-N 2.97Å; D126-V128 HydrophobicContact CB-CG2 3.8Å; D126-V128 PolarHBondContact O-N 3.03Å; D126-K159 VanDerWaalsContact O-CB 3.31Å; D126-K159 WeakPolarHBondContact O-CB 3.3Å; D126-K159 WeakPolarHBondContact O-CG 3.17Å; D126-K159 PolarHBondContact O-N 2.87Å
127	G	97.2	Very high	97.6	Very high	13 Å²	13	34.6 Å²	34.6	13%	0.134	20%	0.199	C	C	.	.	S	Bend	trans	73.2	12.3	-174.4	0	0	0	0	0	112.6	C123 D124 D125 N158	C123-G127 PolarHBondContact SG-O 3.18Å; D124-G127 PolarHBondContact O-N 3.45Å; D124-G127 PolarHBondContact OD1-N 2.93Å; D125-G127 VanDerWaalsContact C-N 3.31Å; G127-N158 WeakPolarHBondContact O-CA 3.41Å
128	V	97.9	Very high	97.6	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.085	18%	0.178	C	C	.	.			trans	-85.4	121.4	-176.9	-174.6	0	0	0	0	108.1	H99 C123 D124 D126 H132 K133 N158	H99-V128 PolarHBondContact NE2-O 3.31Å; C123-V128 WeakPolarHBondContact CA-O 3.44Å; D124-V128 PolarHBondContact N-O 3.48Å; D124-V128 WeakPolarHBondContact OD1-CA 3.18Å; D124-V128 WeakPolarHBondContact OD1-CB 3.3Å; D124-V128 PolarHBondContact OD1-N 3.35Å; D124-V128 WeakPolarHBondContact OD2-CB 3.43Å; D126-V128 HydrophobicContact CB-CG2 3.8Å; D126-V128 PolarHBondContact O-N 3.03Å; V128-H132 HydrophobicContact CG1-CB 3.4Å; V128-K133 HydrophobicContact CG1-CD 3.86Å; V128-K133 HydrophobicContact CG1-CG 4.03Å; V128-N158 HydrophobicContact CG2-CB 4.07Å
129	N	97.5	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-91.5	172.9	172.1	71.1	26.3	0	0	0	110.9	L131 H132 K133	N129-L131 PolarHBondContact O-N 2.86Å; N129-L131 WeakPolarHBondContact OD1-CA 3.35Å; N129-L131 WeakPolarHBondContact OD1-CB 3.4Å; N129-L131 PolarHBondContact OD1-N 2.85Å; N129-H132 PolarHBondContact N-ND1 2.88Å; N129-H132 PolarHBondContact ND2-ND1 2.91Å; N129-H132 WeakPolarHBondContact O-CB 3.21Å; N129-H132 PolarHBondContact O-N 3.17Å; N129-H132 PolarHBondContact OD1-N 3.43Å; N129-H132 VanDerWaalsContact OD1-N 3.07Å; N129-H132 PolarHBondContact OD1-ND1 3.49Å; N129-K133 PolarHBondContact O-N 3.32Å
130	P	98.3	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-31.4	179.2	-26.6	36.2	0	0	0	114.5	L98 A102 P120 K133 A134 L146	L98-P130 HydrophobicContact CB-CG 4.28Å; L98-P130 HydrophobicContact CD2-CB 4.38Å; L98-P130 HydrophobicContact CD2-CG 3.94Å; L98-P130 HydrophobicContact CG-CB 3.98Å; L98-P130 HydrophobicContact CG-CG 3.82Å; A102-P130 HydrophobicContact CB-CB 3.9Å; A102-P130 WeakPolarHBondContact CB-O 3.22Å; P120-P130 WeakPolarHBondContact O-CD 3.38Å; P130-K133 PolarHBondContact O-N 3.38Å; P130-A134 PolarHBondContact O-N 2.93Å; P130-L146 HydrophobicContact CB-CD1 4.03Å; P130-L146 HydrophobicContact CB-CD2 4.21Å
131	L	98.4	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-38.6	179.9	-174.5	62.6	0	0	0	111.8	N129 K133 A134 A135 C143 L146 L147 L153 P164 L177	N129-L131 PolarHBondContact O-N 2.86Å; N129-L131 WeakPolarHBondContact OD1-CA 3.35Å; N129-L131 WeakPolarHBondContact OD1-CB 3.4Å; N129-L131 PolarHBondContact OD1-N 2.85Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3Å; L131-A134 PolarHBondContact O-N 3.31Å; L131-A135 VanDerWaalsContact O-CB 3.29Å; L131-A135 WeakPolarHBondContact O-CB 3.34Å; L131-A135 PolarHBondContact O-N 3.13Å; L131-C143 HydrophobicContact CD1-CB 3.88Å; L131-L146 HydrophobicContact CB-CD1 4.18Å; L131-L146 HydrophobicContact CD1-CB 4.12Å; L131-L146 HydrophobicContact CD1-CD1 4.15Å; L131-L147 HydrophobicContact CD1-CG 4.4Å; L131-L147 HydrophobicContact CD2-CD2 3.68Å; L131-L147 HydrophobicContact CD2-CG 4.21Å; L131-L153 HydrophobicContact CB-CB 4.2Å; L131-L153 HydrophobicContact CB-CD1 4.42Å; L131-L153 HydrophobicContact CD2-CB 3.55Å; L131-P164 HydrophobicContact CB-CG 4.38Å; L131-P164 HydrophobicContact CD2-CB 4.11Å; L131-P164 HydrophobicContact CD2-CG 3.92Å; L131-P164 HydrophobicContact CG-CB 3.89Å; L131-P164 HydrophobicContact CG-CG 4Å; L131-L177 HydrophobicContact CD1-CD2 3.72Å; L131-L177 HydrophobicContact CD2-CD2 4.2Å; L131-L177 HydrophobicContact CG-CD2 4.16Å
132	H	98.4	Very high	97.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-44.4	173.2	-67.8	92	0	0	0	111.7	V128 N129 A135 E136 Q156 Q162 L167	V128-H132 HydrophobicContact CG1-CB 3.4Å; N129-H132 PolarHBondContact N-ND1 2.88Å; N129-H132 PolarHBondContact ND2-ND1 2.91Å; N129-H132 WeakPolarHBondContact O-CB 3.21Å; N129-H132 PolarHBondContact O-N 3.17Å; N129-H132 PolarHBondContact OD1-N 3.43Å; N129-H132 VanDerWaalsContact OD1-N 3.07Å; N129-H132 PolarHBondContact OD1-ND1 3.49Å; H132-A135 PolarHBondContact O-N 3.03Å; H132-E136 WeakPolarHBondContact O-CB 3.29Å; H132-E136 PolarHBondContact O-N 3.33Å; H132-Q156 PolarHBondContact CE1-O 3.04Å; H132-Q156 PolarHBondContact NE2-O 3.15Å; H132-Q162 PolarHBondContact NE2-O 3.22Å; H132-Q162 VanDerWaalsContact NE2-O 3.1Å; H132-L167 HydrophobicContact CB-CD1 3.81Å
133	K	98.1	Very high	97.7	Very high	48 Å²	48	33.3 Å²	33.3	21%	0.209	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-43.1	178.6	-64	-60.8	-174.7	-166.3	0	111.8	Y103 D124 V128 N129 P130 L131 Q137	Y103-K133 HydrophobicContact CD2-CB 4.36Å; Y103-K133 HydrophobicContact CD2-CD 4.11Å; D124-K133 IonicContact OD2-NZ 3.62Å; V128-K133 HydrophobicContact CG1-CD 3.86Å; V128-K133 HydrophobicContact CG1-CG 4.03Å; N129-K133 PolarHBondContact O-N 3.32Å; P130-K133 PolarHBondContact O-N 3.38Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3Å; K133-Q137 WeakPolarHBondContact O-CG 3.35Å; K133-Q137 PolarHBondContact O-N 3.47Å
134	A	98.4	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-39.1	176.7	0	0	0	0	0	112.4	A102 P130 L131 Q137 G138 H139 V142 C143 L146	A102-A134 HydrophobicContact CB-CB 4.26Å; P130-A134 PolarHBondContact O-N 2.93Å; L131-A134 PolarHBondContact O-N 3.31Å; A134-Q137 PolarHBondContact O-N 3.47Å; A134-G138 PolarHBondContact O-N 3.44Å; A134-G138 VanDerWaalsContact O-N 3.08Å; A134-H139 HydrophobicContact CB-CB 4.41Å; A134-H139 PolarHBondContact O-N 3.46Å; A134-V142 HydrophobicContact CB-CB 4.08Å; A134-V142 HydrophobicContact CB-CG1 3.53Å; A134-C143 VanDerWaalsContact CB-SG 3.56Å; A134-L146 HydrophobicContact CB-CD1 4.39Å
135	A	98	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-47	178.3	0	0	0	0	0	112.2	L131 H132 Q137 G138 P164 T168 L177	L131-A135 VanDerWaalsContact O-CB 3.29Å; L131-A135 WeakPolarHBondContact O-CB 3.34Å; L131-A135 PolarHBondContact O-N 3.13Å; H132-A135 PolarHBondContact O-N 3.03Å; A135-Q137 PolarHBondContact O-N 2.94Å; A135-G138 PolarHBondContact O-N 3.3Å; A135-P164 HydrophobicContact CB-CB 4.12Å; A135-P164 VanDerWaalsContact CB-O 3.23Å; A135-P164 WeakPolarHBondContact CB-O 3.12Å; A135-T168 VanDerWaalsContact O-CB 3.27Å; A135-T168 WeakPolarHBondContact O-CB 3.44Å; A135-T168 PolarHBondContact O-OG1 3.47Å; A135-L177 HydrophobicContact CB-CD1 3.41Å; A135-L177 VanDerWaalsContact CB-CD1 3.41Å
136	E	97.1	Very high	97.9	Very high	97 Å²	97	30.7 Å²	30.7	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-54.4	-39.9	176.4	-177.9	-176.5	-131	0	0	111.8	H132 L167	H132-E136 WeakPolarHBondContact O-CB 3.29Å; H132-E136 PolarHBondContact O-N 3.33Å; E136-L167 HydrophobicContact CB-CB 4.3Å
137	Q	97.6	Very high	97.9	Very high	76 Å²	76	26.8 Å²	26.8	36%	0.355	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.1	-179	-57.6	-57.6	-41.9	0	0	113.9	Y103 K133 A134 A135 H139	Y103-Q137 HydrophobicContact CD2-CG 3.77Å; Y103-Q137 HydrophobicContact CE2-CG 3.84Å; Y103-Q137 HydrophobicContact CG-CG 4.33Å; Y103-Q137 WeakPolarHBondContact O-CG 3.48Å; K133-Q137 WeakPolarHBondContact O-CG 3.35Å; K133-Q137 PolarHBondContact O-N 3.47Å; A134-Q137 PolarHBondContact O-N 3.47Å; A135-Q137 PolarHBondContact O-N 2.94Å; Q137-H139 VanDerWaalsContact CB-CD2 3.47Å; Q137-H139 WeakPolarHBondContact CB-CD2 3.42Å; Q137-H139 WeakPolarHBondContact CB-NE2 3.22Å; Q137-H139 PolarHBondContact O-N 3.06Å
138	G	97.3	Very high	97.9	Very high	13 Å²	13	32.3 Å²	32.3	13%	0.134	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	23.2	177.1	0	0	0	0	0	114.9	A134 A135 A140 Q170	A134-G138 PolarHBondContact O-N 3.44Å; A134-G138 VanDerWaalsContact O-N 3.08Å; A135-G138 PolarHBondContact O-N 3.3Å; G138-A140 VanDerWaalsContact C-N 3.34Å; G138-A140 PolarHBondContact O-N 2.91Å; G138-Q170 PolarHBondContact O-OE1 3.28Å
139	H	98.1	Very high	97.8	Very high	58 Å²	58	39.4 Å²	39.4	27%	0.269	19%	0.186	S	C	.	.			trans	-84.5	72.3	-175.9	-63.6	-38.9	0	0	0	112.2	A102 Y103 G105 A134 Q137 K141 V142 C143	A102-H139 PolarHBondContact O-CD2 3.36Å; Y103-H139 PolarHBondContact O-CD2 3.37Å; Y103-H139 PolarHBondContact O-NE2 3.49Å; G105-H139 WeakPolarHBondContact CA-CD2 3.38Å; G105-H139 VanDerWaalsContact CA-CG 3.46Å; G105-H139 WeakPolarHBondContact CA-NE2 3.42Å; G105-H139 PolarHBondContact N-CD2 2.95Å; G105-H139 VanDerWaalsContact N-CD2 3.29Å; G105-H139 PolarHBondContact N-NE2 3.17Å; A134-H139 HydrophobicContact CB-CB 4.41Å; A134-H139 PolarHBondContact O-N 3.46Å; Q137-H139 VanDerWaalsContact CB-CD2 3.47Å; Q137-H139 WeakPolarHBondContact CB-CD2 3.42Å; Q137-H139 WeakPolarHBondContact CB-NE2 3.22Å; Q137-H139 PolarHBondContact O-N 3.06Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.35Å; H139-K141 VanDerWaalsContact O-N 3.14Å; H139-V142 HydrophobicContact CB-CB 4.06Å; H139-V142 HydrophobicContact CB-CG2 4.2Å; H139-V142 WeakPolarHBondContact O-CB 3.3Å; H139-V142 PolarHBondContact O-N 3.18Å; H139-C143 PolarHBondContact O-N 3.38Å
140	A	97.4	Very high	97.6	Very high	37 Å²	37	40.7 Å²	40.7	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-51.7	-41.3	-174.6	0	0	0	0	0	114.1	G138 V142 C143 Q144 L173	G138-A140 VanDerWaalsContact C-N 3.34Å; G138-A140 PolarHBondContact O-N 2.91Å; A140-V142 PolarHBondContact O-N 3.16Å; A140-C143 WeakPolarHBondContact O-CB 3.5Å; A140-C143 PolarHBondContact O-N 2.9Å; A140-Q144 WeakPolarHBondContact O-CG 3.42Å; A140-Q144 PolarHBondContact O-N 2.9Å; A140-L173 HydrophobicContact CB-CD1 3.96Å
141	K	98.2	Very high	97.4	Very high	100 Å²	100	45 Å²	45	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-66.5	-37.3	179.9	-171.9	59	-175.2	168.3	0	112.8	P107 H139 Q144 L145	P107-K141 HydrophobicContact CB-CG 3.98Å; P107-K141 HydrophobicContact CG-CG 4.46Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.35Å; H139-K141 VanDerWaalsContact O-N 3.14Å; K141-Q144 PolarHBondContact O-N 3.42Å; K141-L145 WeakPolarHBondContact O-CG 3.44Å; K141-L145 PolarHBondContact O-N 3.48Å
142	V	98.7	Very high	97.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-44.1	174.2	169.2	0	0	0	0	110.3	A102 P107 V110 A134 H139 A140 Q144 L145 L146	A102-V142 HydrophobicContact CB-CG1 3.93Å; P107-V142 HydrophobicContact CB-CG2 4.37Å; V110-V142 HydrophobicContact CG2-CG1 3.99Å; V110-V142 HydrophobicContact CG2-CG2 4.24Å; A134-V142 HydrophobicContact CB-CB 4.08Å; A134-V142 HydrophobicContact CB-CG1 3.53Å; H139-V142 HydrophobicContact CB-CB 4.06Å; H139-V142 HydrophobicContact CB-CG2 4.2Å; H139-V142 WeakPolarHBondContact O-CB 3.3Å; H139-V142 PolarHBondContact O-N 3.18Å; A140-V142 PolarHBondContact O-N 3.16Å; V142-Q144 VanDerWaalsContact C-N 3.3Å; V142-Q144 PolarHBondContact O-N 2.71Å; V142-L145 PolarHBondContact O-N 2.99Å; V142-L145 VanDerWaalsContact O-N 3.16Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.32Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 2.94Å
143	C	98.3	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-44.8	176.2	-68	0	0	0	0	111.9	L131 A134 H139 A140 L145 L146 L147 L173 L176 L177	L131-C143 HydrophobicContact CD1-CB 3.88Å; A134-C143 VanDerWaalsContact CB-SG 3.56Å; H139-C143 PolarHBondContact O-N 3.38Å; A140-C143 WeakPolarHBondContact O-CB 3.5Å; A140-C143 PolarHBondContact O-N 2.9Å; C143-L145 PolarHBondContact O-N 3.27Å; C143-L146 PolarHBondContact O-N 3.25Å; C143-L147 WeakPolarHBondContact O-CB 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.32Å; C143-L147 PolarHBondContact O-N 3.27Å; C143-L173 HydrophobicContact CB-CD1 3.96Å; C143-L176 HydrophobicContact CB-CD2 4.22Å; C143-L177 HydrophobicContact CB-CD2 3.87Å
144	Q	97.7	Very high	96.7	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-57.1	-50.3	174.9	-70.9	174	-1.5	0	0	111.5	A140 K141 V142 L146 L147 E148 L176	A140-Q144 WeakPolarHBondContact O-CG 3.42Å; A140-Q144 PolarHBondContact O-N 2.9Å; K141-Q144 PolarHBondContact O-N 3.42Å; V142-Q144 VanDerWaalsContact C-N 3.3Å; V142-Q144 PolarHBondContact O-N 2.71Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 2.98Å; Q144-L147 PolarHBondContact O-N 3.37Å; Q144-E148 WeakPolarHBondContact O-CB 3.48Å; Q144-E148 VanDerWaalsContact O-CG 3.29Å; Q144-E148 WeakPolarHBondContact O-CG 3.29Å; Q144-E148 PolarHBondContact O-N 2.89Å; Q144-L176 HydrophobicContact CG-CD1 4.29Å; Q144-L176 HydrophobicContact CG-CD2 3.58Å
145	L	98.3	Very high	96.5	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-39.8	-179.1	-68.9	171.1	0	0	0	112.9	P107 V110 R111 K141 V142 C143 R149	P107-L145 HydrophobicContact CB-CD1 3.64Å; P107-L145 WeakPolarHBondContact O-CD1 3.35Å; V110-L145 HydrophobicContact CG1-CB 4.13Å; V110-L145 HydrophobicContact CG1-CD1 4.35Å; R111-L145 VanDerWaalsContact NH1-CD2 3.35Å; K141-L145 WeakPolarHBondContact O-CG 3.44Å; K141-L145 PolarHBondContact O-N 3.48Å; V142-L145 PolarHBondContact O-N 2.99Å; V142-L145 VanDerWaalsContact O-N 3.16Å; C143-L145 PolarHBondContact O-N 3.27Å; L145-R149 PolarHBondContact O-N 3.07Å
146	L	98.2	Very high	96.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-41.6	177.4	-71.2	170	0	0	0	111.5	L98 A102 V110 L114 P120 P130 L131 A134 V142 C143 Q144 R149 C150 L153	L98-L146 HydrophobicContact CD1-CD2 4.27Å; L98-L146 HydrophobicContact CD2-CD2 4.17Å; L98-L146 HydrophobicContact CG-CD2 4.39Å; A102-L146 HydrophobicContact CB-CD1 4.38Å; V110-L146 HydrophobicContact CG1-CD2 4.3Å; V110-L146 HydrophobicContact CG1-CG 4.4Å; L114-L146 HydrophobicContact CD1-CD2 4.37Å; L114-L146 HydrophobicContact CD2-CD2 4.45Å; P120-L146 HydrophobicContact CB-CD2 4.22Å; P130-L146 HydrophobicContact CB-CD1 4.03Å; P130-L146 HydrophobicContact CB-CD2 4.21Å; L131-L146 HydrophobicContact CB-CD1 4.18Å; L131-L146 HydrophobicContact CD1-CB 4.12Å; L131-L146 HydrophobicContact CD1-CD1 4.15Å; A134-L146 HydrophobicContact CB-CD1 4.39Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.32Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 2.94Å; C143-L146 PolarHBondContact O-N 3.25Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 2.98Å; L146-R149 PolarHBondContact O-N 3.38Å; L146-C150 PolarHBondContact O-N 3.21Å; L146-L153 HydrophobicContact CB-CD1 4.3Å
147	L	97.1	Very high	96.1	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-36.8	177.4	-71.5	177.2	0	0	0	113.1	L131 C143 Q144 R149 C150 P151 C154 L176 L177	L131-L147 HydrophobicContact CD1-CG 4.4Å; L131-L147 HydrophobicContact CD2-CD2 3.68Å; L131-L147 HydrophobicContact CD2-CG 4.21Å; C143-L147 WeakPolarHBondContact O-CB 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.32Å; C143-L147 PolarHBondContact O-N 3.27Å; Q144-L147 PolarHBondContact O-N 3.37Å; L147-R149 PolarHBondContact O-N 3.49Å; L147-C150 CarbonylContact O-C 3.39Å; L147-C150 PolarHBondContact O-N 3.03Å; L147-P151 WeakPolarHBondContact O-CA 3.29Å; L147-P151 WeakPolarHBondContact O-CD 3.45Å; L147-P151 VanDerWaalsContact O-CG 3.3Å; L147-P151 WeakPolarHBondContact O-CG 3.49Å; L147-P151 VanDerWaalsContact O-N 3.13Å; L147-C154 HydrophobicContact CD2-CB 3.92Å; L147-L176 HydrophobicContact CD1-CG 4.35Å; L147-L177 HydrophobicContact CD1-CD2 3.92Å
148	E	96.1	Very high	96	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-56.7	-37.3	171.7	-77.3	169.5	-161.9	0	0	110.9	Q144	Q144-E148 WeakPolarHBondContact O-CB 3.48Å; Q144-E148 VanDerWaalsContact O-CG 3.29Å; Q144-E148 WeakPolarHBondContact O-CG 3.29Å; Q144-E148 PolarHBondContact O-N 2.89Å
149	R	95.7	Very high	95.9	Very high	164 Å²	164	53.4 Å²	53.4	62%	0.619	29%	0.286	S	S	*	.	H	α-helix	trans	-83.4	-38.8	178.9	-170.3	59	175.8	135	-2.2	113.4	L114 L145 L146 L147	L114-R149 HydrophobicContact CD1-CB 4.06Å; L114-R149 HydrophobicContact CD1-CG 4.37Å; L114-R149 HydrophobicContact CD2-CG 4.14Å; L145-R149 PolarHBondContact O-N 3.07Å; L146-R149 PolarHBondContact O-N 3.38Å; L147-R149 PolarHBondContact O-N 3.49Å
150	C	95	Very high	95.8	Very high	26 Å²	26	58.4 Å²	58.4	18%	0.176	31%	0.307	C	S	.	.			trans	-147.1	91.3	-178.7	-169	0	0	0	0	110.8	P120 L146 L147 A152 L153	P120-C150 HydrophobicContact CG-CB 4.03Å; L146-C150 PolarHBondContact O-N 3.21Å; L147-C150 CarbonylContact O-C 3.39Å; L147-C150 PolarHBondContact O-N 3.03Å; C150-A152 PolarHBondContact O-N 3.3Å; C150-L153 HydrophobicContact CB-CD1 3.86Å; C150-L153 HydrophobicContact CB-CG 3.9Å; C150-L153 WeakPolarHBondContact O-CG 3.37Å; C150-L153 PolarHBondContact O-N 2.87Å
151	P	94.3	Very high	95.7	Very high	90 Å²	90	63.8 Å²	63.8	58%	0.584	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-61.3	-29.2	179.8	-25	33.2	0	0	0	113.6	L147 L153 C154	L147-P151 WeakPolarHBondContact O-CA 3.29Å; L147-P151 WeakPolarHBondContact O-CD 3.45Å; L147-P151 VanDerWaalsContact O-CG 3.3Å; L147-P151 WeakPolarHBondContact O-CG 3.49Å; L147-P151 VanDerWaalsContact O-N 3.13Å; P151-L153 PolarHBondContact O-N 2.88Å; P151-L153 VanDerWaalsContact O-N 3.12Å; P151-C154 PolarHBondContact O-N 2.9Å; P151-C154 PolarHBondContact O-SG 3.04Å
152	A	93.8	Very high	95.5	Very high	70 Å²	70	62.2 Å²	62.2	58%	0.579	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20.7	-177.2	0	0	0	0	0	113.8	C150 C154 S155	C150-A152 PolarHBondContact O-N 3.3Å; A152-C154 PolarHBondContact O-N 3.05Å; A152-S155 PolarHBondContact O-N 2.82Å
153	L	92.8	Very high	95.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.6	179.6	-65	172.9	0	0	0	113.2	P120 T121 L131 L146 C150 P151 S155 Q156	P120-L153 HydrophobicContact CB-CD1 4.04Å; P120-L153 WeakPolarHBondContact O-CD2 3.28Å; T121-L153 HydrophobicContact CG2-CD2 4.36Å; L131-L153 HydrophobicContact CB-CB 4.2Å; L131-L153 HydrophobicContact CB-CD1 4.42Å; L131-L153 HydrophobicContact CD2-CB 3.55Å; L146-L153 HydrophobicContact CB-CD1 4.3Å; C150-L153 HydrophobicContact CB-CD1 3.86Å; C150-L153 HydrophobicContact CB-CG 3.9Å; C150-L153 WeakPolarHBondContact O-CG 3.37Å; C150-L153 PolarHBondContact O-N 2.87Å; P151-L153 PolarHBondContact O-N 2.88Å; P151-L153 VanDerWaalsContact O-N 3.12Å; L153-S155 PolarHBondContact O-N 3.48Å; L153-Q156 PolarHBondContact O-N 3.3Å
154	C	92.3	Very high	95.3	Very high	8 Å²	8	63.8 Å²	63.8	5%	0.054	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.8	178.8	65.6	0	0	0	0	113.3	L147 P151 A152 L177	L147-C154 HydrophobicContact CD2-CB 3.92Å; P151-C154 PolarHBondContact O-N 2.9Å; P151-C154 PolarHBondContact O-SG 3.04Å; A152-C154 PolarHBondContact O-N 3.05Å; C154-L177 WeakPolarHBondContact CB-O 3.47Å
155	S	93.7	Very high	95.2	Very high	68 Å²	68	63.4 Å²	63.4	48%	0.476	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-101.6	-3.1	-176.2	-55.9	0	0	0	0	113.3	A152 L153 L163	A152-S155 PolarHBondContact O-N 2.82Å; L153-S155 PolarHBondContact O-N 3.48Å; S155-L163 VanDerWaalsContact C-CD2 3.41Å; S155-L163 WeakPolarHBondContact O-CD2 3.21Å
156	Q	93.3	Very high	95	Very high	62 Å²	62	67.1 Å²	67.1	29%	0.29	35%	0.346	S	S	.	.			trans	-88.9	116.8	-179.2	-175.3	175.3	-15.8	0	0	110	C123 H132 L153	C123-Q156 PolarHBondContact SG-NE2 3.15Å; H132-Q156 PolarHBondContact CE1-O 3.04Å; H132-Q156 PolarHBondContact NE2-O 3.15Å; L153-Q156 PolarHBondContact O-N 3.3Å
157	G	93.5	Very high	94.9	Very high	35 Å²	35	68.9 Å²	68.9	36%	0.361	36%	0.355	S	S	.	.			trans	-83.6	149.4	175.8	0	0	0	0	0	112.7	Q162	G157-Q162 WeakPolarHBondContact CA-O 3.5Å
158	N	95.6	Very high	94.7	Very high	15 Å²	15	67.9 Å²	67.9	8%	0.08	35%	0.35	C	S	.	.			trans	-75.9	-178	168	71.6	14.8	0	0	0	111.8	G127 V128 K160 L161 Q162	G127-N158 WeakPolarHBondContact O-CA 3.41Å; V128-N158 HydrophobicContact CG2-CB 4.07Å; N158-K160 PolarHBondContact O-N 3.05Å; N158-K160 VanDerWaalsContact O-N 3.13Å; N158-K160 VanDerWaalsContact OD1-CA 3.31Å; N158-K160 WeakPolarHBondContact OD1-CA 3.49Å; N158-K160 WeakPolarHBondContact OD1-CB 3.47Å; N158-K160 PolarHBondContact OD1-N 3.15Å; N158-L161 WeakPolarHBondContact O-CA 3.42Å; N158-L161 PolarHBondContact O-N 3.3Å; N158-L161 PolarHBondContact OD1-N 2.9Å; N158-Q162 PolarHBondContact N-O 3.35Å; N158-Q162 PolarHBondContact ND2-OE1 3.15Å; N158-Q162 PolarHBondContact OD1-N 2.87Å
159	K	96.6	Very high	94.5	Very high	154 Å²	154	69.8 Å²	69.8	67%	0.67	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20	178.5	-75.6	-173.8	177.5	176.5	0	114.5	D125 D126	D125-K159 WeakPolarHBondContact O-CD 3.25Å; D125-K159 WeakPolarHBondContact O-CE 3.45Å; D125-K159 PolarHBondContact O-NZ 3.43Å; D126-K159 VanDerWaalsContact O-CB 3.31Å; D126-K159 WeakPolarHBondContact O-CB 3.3Å; D126-K159 WeakPolarHBondContact O-CG 3.17Å; D126-K159 PolarHBondContact O-N 2.87Å
160	K	95.4	Very high	94.2	Very high	163 Å²	163	66.7 Å²	66.7	71%	0.709	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	8.6	172.6	-61.1	178	-178.9	173.4	0	112.5	N158 Q162	N158-K160 PolarHBondContact O-N 3.05Å; N158-K160 VanDerWaalsContact O-N 3.13Å; N158-K160 VanDerWaalsContact OD1-CA 3.31Å; N158-K160 WeakPolarHBondContact OD1-CA 3.49Å; N158-K160 WeakPolarHBondContact OD1-CB 3.47Å; N158-K160 PolarHBondContact OD1-N 3.15Å; K160-Q162 HydrophobicContact CB-CG 3.97Å; K160-Q162 PolarHBondContact O-N 3Å
161	L	94.6	Very high	94	Very high	150 Å²	150	67.6 Å²	67.6	79%	0.785	37%	0.365	S	S	*	.			trans	60.4	22.3	-175.3	-50.8	176.6	0	0	0	113.2	N158	N158-L161 WeakPolarHBondContact O-CA 3.42Å; N158-L161 PolarHBondContact O-N 3.3Å; N158-L161 PolarHBondContact OD1-N 2.9Å
162	Q	95.5	Very high	93.8	Very high	67 Å²	67	70.5 Å²	70.5	31%	0.313	38%	0.375	S	S	.	.			trans	-89.2	132.4	178.4	-59.1	175.9	-64.6	0	0	109.7	H132 G157 N158 K160 Q166 L167	H132-Q162 PolarHBondContact NE2-O 3.22Å; H132-Q162 VanDerWaalsContact NE2-O 3.1Å; G157-Q162 WeakPolarHBondContact CA-O 3.5Å; N158-Q162 PolarHBondContact N-O 3.35Å; N158-Q162 PolarHBondContact ND2-OE1 3.15Å; N158-Q162 PolarHBondContact OD1-N 2.87Å; K160-Q162 HydrophobicContact CB-CG 3.97Å; K160-Q162 PolarHBondContact O-N 3Å; Q162-Q166 VanDerWaalsContact CA-OE1 3.26Å; Q162-L167 HydrophobicContact CB-CD2 4.08Å
163	L	96.1	Very high	93.8	Very high	36 Å²	36	67.3 Å²	67.3	19%	0.188	35%	0.348	C	S	.	.			trans	-88	156.5	172.8	-67.2	172.6	0	0	0	110.7	S155 Y165 Q166 P179	S155-L163 VanDerWaalsContact C-CD2 3.41Å; S155-L163 WeakPolarHBondContact O-CD2 3.21Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 HydrophobicContact CB-CD1 3.72Å; L163-Y165 HydrophobicContact CB-CE1 3.75Å; L163-Y165 HydrophobicContact CD1-CD1 4.28Å; L163-Y165 HydrophobicContact CD1-CE1 3.66Å; L163-Y165 HydrophobicContact CG-CE1 4.33Å; L163-Y165 PolarHBondContact O-N 2.54Å; L163-Q166 HydrophobicContact CB-CG 4.38Å; L163-Q166 WeakPolarHBondContact O-CB 3.37Å; L163-Q166 PolarHBondContact O-N 2.87Å; L163-P179 HydrophobicContact CD1-CG 4.34Å
164	P	95.2	Very high	93.9	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-53.8	-41.6	-178.5	-28.1	34.9	0	0	0	114.1	L131 A135 Q166 L167 L177	L131-P164 HydrophobicContact CB-CG 4.38Å; L131-P164 HydrophobicContact CD2-CB 4.11Å; L131-P164 HydrophobicContact CD2-CG 3.92Å; L131-P164 HydrophobicContact CG-CB 3.89Å; L131-P164 HydrophobicContact CG-CG 4Å; A135-P164 HydrophobicContact CB-CB 4.12Å; A135-P164 VanDerWaalsContact CB-O 3.23Å; A135-P164 WeakPolarHBondContact CB-O 3.12Å; P164-Q166 PolarHBondContact O-N 3.18Å; P164-L167 PolarHBondContact O-N 2.83Å; P164-L167 VanDerWaalsContact O-N 3.1Å; P164-L177 HydrophobicContact CB-CD1 4.4Å
165	Y	95.4	Very high	93.9	Very high	64 Å²	64	75.5 Å²	75.5	25%	0.251	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-63.9	-22.9	-179.8	85.8	-88.9	0	0	0	113.5	L163 L167 K178	L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 HydrophobicContact CB-CD1 3.72Å; L163-Y165 HydrophobicContact CB-CE1 3.75Å; L163-Y165 HydrophobicContact CD1-CD1 4.28Å; L163-Y165 HydrophobicContact CD1-CE1 3.66Å; L163-Y165 HydrophobicContact CG-CE1 4.33Å; L163-Y165 PolarHBondContact O-N 2.54Å; Y165-L167 VanDerWaalsContact C-N 3.29Å; Y165-K178 HydrophobicContact CD2-CG 4.24Å; Y165-K178 HydrophobicContact CG-CG 4.36Å
166	Q	95.8	Very high	93.9	Very high	85 Å²	85	75.3 Å²	75.3	40%	0.397	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-80.2	-14	179.6	-61.1	174.7	-40.7	0	0	112.4	Q162 L163 P164	Q162-Q166 VanDerWaalsContact CA-OE1 3.26Å; L163-Q166 HydrophobicContact CB-CG 4.38Å; L163-Q166 WeakPolarHBondContact O-CB 3.37Å; L163-Q166 PolarHBondContact O-N 2.87Å; P164-Q166 PolarHBondContact O-N 3.18Å
167	L	94.4	Very high	93.9	Very high	36 Å²	36	72.4 Å²	72.4	19%	0.188	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-89.3	-8	-178.2	-59.3	-176.8	0	0	0	113.2	H132 E136 Q162 P164 Y165	H132-L167 HydrophobicContact CB-CD1 3.81Å; E136-L167 HydrophobicContact CB-CB 4.3Å; Q162-L167 HydrophobicContact CB-CD2 4.08Å; P164-L167 PolarHBondContact O-N 2.83Å; P164-L167 VanDerWaalsContact O-N 3.1Å; Y165-L167 VanDerWaalsContact C-N 3.29Å
168	T	93.8	Very high	93.9	Very high	4 Å²	4	74.8 Å²	74.8	3%	0.025	37%	0.366	C	S	.	.			trans	-110.7	146.5	179.8	-168.3	0	0	0	0	111.9	A135 Q170 L173 Q174 L177	A135-T168 VanDerWaalsContact O-CB 3.27Å; A135-T168 WeakPolarHBondContact O-CB 3.44Å; A135-T168 PolarHBondContact O-OG1 3.47Å; T168-Q170 PolarHBondContact OG1-N 3.17Å; T168-L173 HydrophobicContact CG2-CB 4.14Å; T168-L173 HydrophobicContact CG2-CD2 4.29Å; T168-L173 HydrophobicContact CG2-CG 4.03Å; T168-Q174 HydrophobicContact CG2-CB 4.41Å; T168-Q174 HydrophobicContact CG2-CG 3.56Å; T168-Q174 PolarHBondContact O-NE2 2.99Å; T168-L177 HydrophobicContact CG2-CD1 4.38Å
169	Q	91.2	Very high	93.6	Very high	169 Å²	169	76 Å²	76	79%	0.79	38%	0.375	S	S	*	.			trans	-101.3	-1.3	172.8	-58.5	-56.7	-43.3	0	0	112.5
170	Q	90.6	Very high	93	Very high	99 Å²	99	73.7 Å²	73.7	46%	0.463	38%	0.376	S	S	.	.			trans	-83	116.9	-179.4	-66.1	177.4	-5.5	0	0	109.8	G138 T168 D172 L173 Q174	G138-Q170 PolarHBondContact O-OE1 3.28Å; T168-Q170 PolarHBondContact OG1-N 3.17Å; Q170-D172 PolarHBondContact O-N 3.18Å; Q170-L173 HydrophobicContact CB-CB 3.9Å; Q170-L173 PolarHBondContact O-N 3.14Å; Q170-L173 VanDerWaalsContact O-N 3.12Å; Q170-Q174 WeakPolarHBondContact O-CG 3.37Å; Q170-Q174 PolarHBondContact O-N 3.29Å
171	G	89.3	Confident	92	Very high	44 Å²	44	78 Å²	78	45%	0.454	39%	0.387	S	S	.	.	H	α-helix	trans	-54.3	-49.6	-175.7	0	0	0	0	0	113.7	L173 Q174 E175	G171-L173 VanDerWaalsContact C-N 3.28Å; G171-L173 PolarHBondContact O-N 3.1Å; G171-Q174 WeakPolarHBondContact O-CB 3.43Å; G171-Q174 PolarHBondContact O-N 3.25Å; G171-E175 PolarHBondContact O-N 3.3Å
172	D	91.6	Very high	90.3	Very high	151 Å²	151	79.8 Å²	79.8	81%	0.807	41%	0.413	S	S	*	.	H	α-helix	trans	-61.7	-37.3	179.7	-61.6	-19.8	0	0	0	112.4	Q170 E175 L176	Q170-D172 PolarHBondContact O-N 3.18Å; D172-E175 PolarHBondContact O-N 3.16Å; D172-L176 PolarHBondContact O-N 3.15Å; D172-L176 VanDerWaalsContact O-N 3.09Å
173	L	93.3	Very high	90.1	Very high	3 Å²	3	80.5 Å²	80.5	2%	0.016	42%	0.418	C	S	.	.	H	α-helix	trans	-74.3	-35.3	177.9	-171.2	54.2	0	0	0	111.8	A140 C143 T168 Q170 G171 E175 L176 L177	A140-L173 HydrophobicContact CB-CD1 3.96Å; C143-L173 HydrophobicContact CB-CD1 3.96Å; T168-L173 HydrophobicContact CG2-CB 4.14Å; T168-L173 HydrophobicContact CG2-CD2 4.29Å; T168-L173 HydrophobicContact CG2-CG 4.03Å; Q170-L173 HydrophobicContact CB-CB 3.9Å; Q170-L173 PolarHBondContact O-N 3.14Å; Q170-L173 VanDerWaalsContact O-N 3.12Å; G171-L173 VanDerWaalsContact C-N 3.28Å; G171-L173 PolarHBondContact O-N 3.1Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-L176 HydrophobicContact CD1-CB 4.45Å; L173-L176 HydrophobicContact CD1-CD2 3.86Å; L173-L176 PolarHBondContact O-N 3.47Å; L173-L177 HydrophobicContact CD1-CD1 3.98Å; L173-L177 HydrophobicContact CD1-CG 4.02Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.32Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 VanDerWaalsContact O-CG 3.24Å; L173-L177 WeakPolarHBondContact O-CG 3.12Å; L173-L177 PolarHBondContact O-N 3.24Å; L173-L177 VanDerWaalsContact O-N 3.07Å
174	Q	93.9	Very high	89.8	Confident	59 Å²	59	82.8 Å²	82.8	28%	0.276	43%	0.43	S	S	.	.	H	α-helix	trans	-58.8	-47.1	171.6	-72.1	-175.5	-0.3	0	0	110.5	T168 Q170 G171 L176 L177 K178	T168-Q174 HydrophobicContact CG2-CB 4.41Å; T168-Q174 HydrophobicContact CG2-CG 3.56Å; T168-Q174 PolarHBondContact O-NE2 2.99Å; Q170-Q174 WeakPolarHBondContact O-CG 3.37Å; Q170-Q174 PolarHBondContact O-N 3.29Å; G171-Q174 WeakPolarHBondContact O-CB 3.43Å; G171-Q174 PolarHBondContact O-N 3.25Å; Q174-L176 PolarHBondContact O-N 3.07Å; Q174-L177 PolarHBondContact O-N 2.89Å; Q174-K178 WeakPolarHBondContact O-CG 3.36Å; Q174-K178 PolarHBondContact O-N 3.39Å; Q174-K178 VanDerWaalsContact O-N 3.16Å
175	E	92.6	Very high	89.5	Confident	121 Å²	121	87.4 Å²	87.4	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-61.9	-42.6	178	-66.7	-56.2	152.6	0	0	112.2	G171 D172 L173 L177 K178	G171-E175 PolarHBondContact O-N 3.3Å; D172-E175 PolarHBondContact O-N 3.16Å; L173-E175 VanDerWaalsContact C-N 3.33Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.42Å; E175-K178 PolarHBondContact O-N 3.07Å; E175-K178 IonicContact OE1-NZ 2.61Å; E175-K178 PolarHBondContact OE1-NZ 3.28Å; E175-K178 WeakPolarHBondContact OE2-CD 3.28Å; E175-K178 IonicContact OE2-NZ 2.87Å; E175-K178 PolarHBondContact OE2-NZ 3.03Å
176	L	93.8	Very high	89.1	Confident	65 Å²	65	88.8 Å²	88.8	34%	0.34	47%	0.466	S	S	.	.	H	α-helix	trans	-59.2	-38.7	176.9	176.3	66.3	0	0	0	112.7	C143 Q144 L147 D172 L173 Q174	C143-L176 HydrophobicContact CB-CD2 4.22Å; Q144-L176 HydrophobicContact CG-CD1 4.29Å; Q144-L176 HydrophobicContact CG-CD2 3.58Å; L147-L176 HydrophobicContact CD1-CG 4.35Å; D172-L176 PolarHBondContact O-N 3.15Å; D172-L176 VanDerWaalsContact O-N 3.09Å; L173-L176 HydrophobicContact CD1-CB 4.45Å; L173-L176 HydrophobicContact CD1-CD2 3.86Å; L173-L176 PolarHBondContact O-N 3.47Å; Q174-L176 PolarHBondContact O-N 3.07Å
177	L	94.6	Very high	88.7	Confident	0 Å²	0	89 Å²	89	0%	0	47%	0.47	C	S	.	.	H	α-helix	trans	-91.2	-6.6	-171.6	-67.1	177.7	0	0	0	113.8	L131 A135 C143 L147 C154 P164 T168 L173 Q174 E175	L131-L177 HydrophobicContact CD1-CD2 3.72Å; L131-L177 HydrophobicContact CD2-CD2 4.2Å; L131-L177 HydrophobicContact CG-CD2 4.16Å; A135-L177 HydrophobicContact CB-CD1 3.41Å; A135-L177 VanDerWaalsContact CB-CD1 3.41Å; C143-L177 HydrophobicContact CB-CD2 3.87Å; L147-L177 HydrophobicContact CD1-CD2 3.92Å; C154-L177 WeakPolarHBondContact CB-O 3.47Å; P164-L177 HydrophobicContact CB-CD1 4.4Å; T168-L177 HydrophobicContact CG2-CD1 4.38Å; L173-L177 HydrophobicContact CD1-CD1 3.98Å; L173-L177 HydrophobicContact CD1-CG 4.02Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.32Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 VanDerWaalsContact O-CG 3.24Å; L173-L177 WeakPolarHBondContact O-CG 3.12Å; L173-L177 PolarHBondContact O-N 3.24Å; L173-L177 VanDerWaalsContact O-N 3.07Å; Q174-L177 PolarHBondContact O-N 2.89Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.42Å
178	K	93.4	Very high	88.3	Confident	85 Å²	85	92.5 Å²	92.5	37%	0.37	49%	0.489	S	S	.	.	S	Bend	trans	-63.2	130.8	179.2	-85.6	172.1	-164.8	173.8	0	110.3	Y165 Q174 E175	Y165-K178 HydrophobicContact CD2-CG 4.24Å; Y165-K178 HydrophobicContact CG-CG 4.36Å; Q174-K178 WeakPolarHBondContact O-CG 3.36Å; Q174-K178 PolarHBondContact O-N 3.39Å; Q174-K178 VanDerWaalsContact O-N 3.16Å; E175-K178 PolarHBondContact O-N 3.07Å; E175-K178 IonicContact OE1-NZ 2.61Å; E175-K178 PolarHBondContact OE1-NZ 3.28Å; E175-K178 WeakPolarHBondContact OE2-CD 3.28Å; E175-K178 IonicContact OE2-NZ 2.87Å; E175-K178 PolarHBondContact OE2-NZ 3.03Å
179	P	89.1	Confident	87.9	Confident	40 Å²	40	98.9 Å²	98.9	26%	0.26	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.4	145.3	171.4	-27	35.3	0	0	0	112.3	L163	L163-P179 HydrophobicContact CD1-CG 4.34Å
180	P	82.8	Confident	87.7	Confident	107 Å²	107	93.5 Å²	93.5	70%	0.695	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-59.7	141.9	171.1	25.4	-32.1	0	0	0	110.1	S182	P180-S182 PolarHBondContact O-N 2.95Å
181	R	75.3	Confident	87.4	Confident	252 Å²	252	93 Å²	93	95%	0.951	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-68.3	122.1	174.7	-59.8	-175.8	-164.1	-171.6	5.1	108.2
182	S	59.7	Low	87.3	Confident	189 Å²	189	97.5 Å²	97.5	100%	1.322	51%	0.509	S	S	*	.			trans	-67.4	0	172.7	58.4	0	0	0	0	112.2	P180	P180-S182 PolarHBondContact O-N 2.95Å

Retrieved 182 of 182 residues in 180.8 ms (Link to these results)

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