A0A077ZNQ5_TRITR Loading...

Cell division cycle 7-related protein kinase

AlphaFold DB , UniProt , Accession A0A077ZNQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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	23.5	Very low	29.1	Very low	207 Å²	207	130.6 Å²	130.6	100%	1.02	67%	0.671	S	S	*	*				0	126.9	0	-159.9	177.5	-81	0	0	106.8
2	I	20.1	Very low	30.1	Very low	154 Å²	154	127.3 Å²	127.3	79%	0.79	67%	0.668	S	S	*	*			trans	-82	114	-165	-62.4	163.5	0	0	0	108.7
3	Q	23.6	Very low	31	Very low	177 Å²	177	120.2 Å²	120.2	83%	0.827	63%	0.634	S	S	*	*			trans	-94.5	97.7	169.7	-79.5	179.2	-26.5	0	0	108.1
4	G	23.4	Very low	31.5	Very low	52 Å²	52	121.6 Å²	121.6	54%	0.536	63%	0.632	S	S	.	*			trans	-82.5	145.8	-177.9	0	0	0	0	0	112.4	Y6	G4-Y6 PolarHBondContact O-N 3.08Å
5	V	28.3	Very low	32.2	Very low	71 Å²	71	123.1 Å²	123.1	43%	0.43	64%	0.641	S	S	.	*			trans	-75.7	116.5	172.7	-172.4	0	0	0	0	108.7	N7 L22	V5-N7 PolarHBondContact O-N 3.24Å; V5-L22 HydrophobicContact CB-CD2 4.36Å; V5-L22 HydrophobicContact CG1-CB 4.27Å; V5-L22 HydrophobicContact CG1-CD1 3.57Å; V5-L22 HydrophobicContact CG1-CD2 4.08Å; V5-L22 HydrophobicContact CG1-CG 4.17Å; V5-L22 HydrophobicContact CG2-CB 4.31Å; V5-L22 HydrophobicContact CG2-CD2 3.6Å; V5-L22 HydrophobicContact CG2-CG 4.38Å
6	Y	27.6	Very low	32.6	Very low	215 Å²	215	119.4 Å²	119.4	84%	0.843	62%	0.622	S	S	*	*			trans	-79.7	108.6	171.8	-79.5	-88.3	0	0	0	109.4	G4 C8	G4-Y6 PolarHBondContact O-N 3.08Å; Y6-C8 PolarHBondContact O-N 2.83Å
7	N	31	Very low	33	Very low	83 Å²	83	115.1 Å²	115.1	44%	0.444	60%	0.6	S	S	.	*			trans	-66.4	110.6	165.4	-93.8	-12.6	0	0	0	108.9	V5 Y9	V5-N7 PolarHBondContact O-N 3.24Å; N7-Y9 HydrophobicContact CB-CD2 3.68Å; N7-Y9 HydrophobicContact CB-CE2 4.17Å; N7-Y9 PolarHBondContact O-N 3.38Å; N7-Y9 WeakPolarHBondContact OD1-CE2 3.22Å
8	C	30.5	Very low	33.2	Very low	124 Å²	124	114.7 Å²	114.7	84%	0.838	59%	0.594	S	S	*	*			trans	-78.5	46.5	173.1	-64.1	0	0	0	0	112.1	Y6	Y6-C8 PolarHBondContact O-N 2.83Å
9	Y	35.2	Very low	33.1	Very low	76 Å²	76	117.5 Å²	117.5	30%	0.298	60%	0.597	S	S	.	*			trans	-105.6	137.3	177	-58.6	-62.1	0	0	0	109.8	N7 I17	N7-Y9 HydrophobicContact CB-CD2 3.68Å; N7-Y9 HydrophobicContact CB-CE2 4.17Å; N7-Y9 PolarHBondContact O-N 3.38Å; N7-Y9 WeakPolarHBondContact OD1-CE2 3.22Å; Y9-I17 HydrophobicContact CD1-CD1 3.69Å; Y9-I17 HydrophobicContact CE1-CD1 3.37Å; Y9-I17 HydrophobicContact CG-CD1 4.4Å
10	D	36.6	Very low	32.8	Very low	91 Å²	91	115.3 Å²	115.3	49%	0.487	59%	0.589	S	S	.	*			trans	-61.7	150.6	162.9	62.8	35.8	0	0	0	109.3	S12 T13 K14	D10-S12 PolarHBondContact O-N 2.99Å; D10-S12 PolarHBondContact OD1-N 3.44Å; D10-S12 PolarHBondContact OD1-OG 3.42Å; D10-S12 PolarHBondContact OD2-OG 2.95Å; D10-T13 PolarHBondContact O-N 2.65Å; D10-T13 VanDerWaalsContact O-N 3.09Å; D10-T13 PolarHBondContact O-OG1 3.21Å; D10-T13 VanDerWaalsContact OD1-CB 3.28Å; D10-T13 WeakPolarHBondContact OD1-CB 3.17Å; D10-T13 VanDerWaalsContact OD1-CG2 3.31Å; D10-T13 WeakPolarHBondContact OD1-CG2 3.34Å; D10-T13 PolarHBondContact OD1-N 3.48Å; D10-T13 PolarHBondContact OD1-OG1 3.01Å; D10-K14 PolarHBondContact O-N 3.37Å
11	E	40.8	Very low	32.7	Very low	187 Å²	187	118.5 Å²	118.5	87%	0.874	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-23.6	-179.2	-76.7	-162.6	147.6	0	0	112.4
12	S	41.3	Very low	33.2	Very low	90 Å²	90	113.5 Å²	113.5	63%	0.629	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-25.3	179	42.4	0	0	0	0	115	D10	D10-S12 PolarHBondContact O-N 2.99Å; D10-S12 PolarHBondContact OD1-N 3.44Å; D10-S12 PolarHBondContact OD1-OG 3.42Å; D10-S12 PolarHBondContact OD2-OG 2.95Å
13	T	41.7	Very low	33.7	Very low	36 Å²	36	112.5 Å²	112.5	22%	0.221	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	-12.3	-176.3	48.1	0	0	0	0	113.8	D10 N15 N16	D10-T13 PolarHBondContact O-N 2.65Å; D10-T13 VanDerWaalsContact O-N 3.09Å; D10-T13 PolarHBondContact O-OG1 3.21Å; D10-T13 VanDerWaalsContact OD1-CB 3.28Å; D10-T13 WeakPolarHBondContact OD1-CB 3.17Å; D10-T13 VanDerWaalsContact OD1-CG2 3.31Å; D10-T13 WeakPolarHBondContact OD1-CG2 3.34Å; D10-T13 PolarHBondContact OD1-N 3.48Å; D10-T13 PolarHBondContact OD1-OG1 3.01Å; T13-N15 PolarHBondContact O-N 2.94Å; T13-N15 VanDerWaalsContact O-N 3.12Å; T13-N16 PolarHBondContact O-N 3.01Å
14	K	37.7	Very low	34.1	Very low	140 Å²	140	109.3 Å²	109.3	61%	0.609	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-52.1	-34.4	178.9	-176	-179.3	176.4	-177.1	0	114	D10	D10-K14 PolarHBondContact O-N 3.37Å
15	N	41.9	Very low	34.3	Very low	143 Å²	143	110.2 Å²	110.2	77%	0.765	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-84.4	-11.9	-176.7	-66.1	-19.8	0	0	0	114.1	T13	T13-N15 PolarHBondContact O-N 2.94Å; T13-N15 VanDerWaalsContact O-N 3.12Å
16	N	38.8	Very low	34.4	Very low	65 Å²	65	114.7 Å²	114.7	35%	0.348	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-96.8	-3.3	-175.8	-67.7	-22.7	0	0	0	113.4	T13 H185	T13-N16 PolarHBondContact O-N 3.01Å; N16-H185 PolarHBondContact OD1-CE1 2.83Å
17	I	38.4	Very low	34.5	Very low	46 Å²	46	107.4 Å²	107.4	24%	0.236	56%	0.559	C	S	.	*			trans	-122.1	101.1	-172.5	-57.4	175.6	0	0	0	108	Y9 W19	Y9-I17 HydrophobicContact CD1-CD1 3.69Å; Y9-I17 HydrophobicContact CE1-CD1 3.37Å; Y9-I17 HydrophobicContact CG-CD1 4.4Å; I17-W19 VanDerWaalsContact C-N 3.34Å; I17-W19 PolarHBondContact O-N 3.02Å; I17-W19 VanDerWaalsContact O-N 3.12Å
18	E	37	Very low	34.4	Very low	107 Å²	107	107 Å²	107	50%	0.5	56%	0.561	S	S	.	*			trans	-79.3	86	167.5	-72.3	178.9	175.6	0	0	108.4	R181	E18-R181 IonicContact OE2-CZ 3.93Å; E18-R181 IonicContact OE2-NH1 2.95Å; E18-R181 PolarHBondContact OE2-NH1 2.88Å
19	W	30.6	Very low	34.3	Very low	169 Å²	169	105.1 Å²	105.1	64%	0.64	55%	0.548	S	S	*	.			trans	35.9	125.6	162.6	-49.5	89.6	0	0	0	120.2	I17 Y21	I17-W19 VanDerWaalsContact C-N 3.34Å; I17-W19 PolarHBondContact O-N 3.02Å; I17-W19 VanDerWaalsContact O-N 3.12Å; W19-Y21 HydrophobicContact CB-CE2 4.36Å; W19-Y21 HydrophobicContact CD2-CE2 4.47Å; W19-Y21 HydrophobicContact CE3-CE2 4.03Å; W19-Y21 AromaticContact CE3-CZ 3.94Å
20	V	28.8	Very low	33.9	Very low	73 Å²	73	106.2 Å²	106.2	44%	0.442	56%	0.562	S	S	.	*			trans	-131.7	125.4	149.9	177.9	0	0	0	0	108.8	V179 L180	V20-V179 VanDerWaalsContact CG2-O 3.28Å; V20-V179 WeakPolarHBondContact CG2-O 3.34Å; V20-L180 HydrophobicContact CG2-CD1 4.28Å
21	Y	30.4	Very low	33.5	Very low	182 Å²	182	104.2 Å²	104.2	71%	0.714	56%	0.558	S	S	*	*			trans	-85.5	147.3	-178.2	-80.3	-90.9	0	0	0	113.5	W19	W19-Y21 HydrophobicContact CB-CE2 4.36Å; W19-Y21 HydrophobicContact CD2-CE2 4.47Å; W19-Y21 HydrophobicContact CE3-CE2 4.03Å; W19-Y21 AromaticContact CE3-CZ 3.94Å
22	L	34.4	Very low	33.1	Very low	103 Å²	103	103.2 Å²	103.2	54%	0.539	55%	0.553	S	S	.	*			trans	-50.4	151	-175.9	-160.1	76.3	0	0	0	119.9	V5	V5-L22 HydrophobicContact CB-CD2 4.36Å; V5-L22 HydrophobicContact CG1-CB 4.27Å; V5-L22 HydrophobicContact CG1-CD1 3.57Å; V5-L22 HydrophobicContact CG1-CD2 4.08Å; V5-L22 HydrophobicContact CG1-CG 4.17Å; V5-L22 HydrophobicContact CG2-CB 4.31Å; V5-L22 HydrophobicContact CG2-CD2 3.6Å; V5-L22 HydrophobicContact CG2-CG 4.38Å
23	L	29	Very low	33	Very low	133 Å²	133	102.5 Å²	102.5	70%	0.696	55%	0.547	S	S	*	.				150.7	112.7	119.2	-99.4	132	0	0	0	111.8
24	I	33.6	Very low	32.8	Very low	110 Å²	110	104.3 Å²	104.3	56%	0.564	56%	0.56	S	S	*	*			trans	-134.2	78.6	152.4	-43.4	173	0	0	0	107.6	I52 L176	I24-I52 HydrophobicContact CD1-CD1 4.13Å; I24-L176 HydrophobicContact CD1-CD1 3.8Å; I24-L176 HydrophobicContact CD1-CD2 3.3Å; I24-L176 HydrophobicContact CD1-CG 4.08Å; I24-L176 HydrophobicContact CG1-CD1 3.79Å; I24-L176 HydrophobicContact CG1-CD2 4.11Å
25	A	26.8	Very low	33	Very low	70 Å²	70	104.2 Å²	104.2	58%	0.579	56%	0.557	S	S	*	*			trans	-72.4	156.5	141	0	0	0	0	0	106.5
26	M	29.9	Very low	32.9	Very low	166 Å²	166	100.7 Å²	100.7	82%	0.818	54%	0.54	S	S	*	.			trans	95.6	57.3	177.2	-43.6	-170.9	-46.4	0	0	116.7
27	A	30.2	Very low	32.9	Very low	61 Å²	61	103 Å²	103	50%	0.504	55%	0.55	S	S	.	*			trans	-164.8	131.4	136.1	0	0	0	0	0	109.8
28	P	28.7	Very low	32.9	Very low	75 Å²	75	103 Å²	103	49%	0.487	55%	0.554	S	S	.	*			trans	-59.1	143.3	172.9	24.3	-32	0	0	0	110.6	V30 Y64	P28-V30 HydrophobicContact CB-CG2 4.15Å; P28-V30 HydrophobicContact CG-CG2 4.42Å; P28-V30 PolarHBondContact O-N 3.24Å; P28-Y64 HydrophobicContact CG-CE2 4.21Å
29	P	28.7	Very low	32.9	Very low	85 Å²	85	102.1 Å²	102.1	55%	0.552	55%	0.55	S	S	*	*	S	Bend	trans	-75.3	93.9	-175.3	31.3	-32.4	0	0	0	109.2	A142	P29-A142 HydrophobicContact CG-CB 3.83Å
30	V	26	Very low	33.4	Very low	99 Å²	99	98.6 Å²	98.6	60%	0.6	54%	0.543	S	S	*	.			trans	-136	-0.4	178.1	-149.1	0	0	0	0	114.2	P28	P28-V30 HydrophobicContact CB-CG2 4.15Å; P28-V30 HydrophobicContact CG-CG2 4.42Å; P28-V30 PolarHBondContact O-N 3.24Å
31	A	28.1	Very low	34	Very low	49 Å²	49	100.6 Å²	100.6	41%	0.405	55%	0.55	S	S	.	.	S	Bend	trans	-152.2	146.2	178.3	0	0	0	0	0	113.8
32	Q	32.9	Very low	34.5	Very low	165 Å²	165	95.6 Å²	95.6	77%	0.771	54%	0.536	S	S	*	.			trans	-49.2	125.3	171.6	-161.9	173.2	5.6	0	0	109.4	C34	Q32-C34 PolarHBondContact O-N 3.25Å; Q32-C34 VanDerWaalsContact O-N 3.11Å
33	P	38.7	Very low	35.3	Very low	76 Å²	76	101 Å²	101	49%	0.494	55%	0.549	S	S	.	.			trans	-65.2	119.9	-176.4	26.5	-33.5	0	0	0	108.8	Y35	P33-Y35 HydrophobicContact CB-CD1 3.82Å; P33-Y35 HydrophobicContact CB-CE1 4.4Å; P33-Y35 HydrophobicContact CG-CD1 3.82Å; P33-Y35 HydrophobicContact CG-CE1 3.87Å; P33-Y35 WeakPolarHBondContact O-CD1 3.48Å; P33-Y35 PolarHBondContact O-N 2.72Å; P33-Y35 VanDerWaalsContact O-N 3.17Å
34	C	39.1	Very low	36.2	Very low	73 Å²	73	98.9 Å²	98.9	49%	0.493	54%	0.538	S	S	.	.			trans	-76.1	98.3	165.9	-69.6	0	0	0	0	106.6	Q32 I52 F53	Q32-C34 PolarHBondContact O-N 3.25Å; Q32-C34 VanDerWaalsContact O-N 3.11Å; C34-I52 CarbonylContact O-C 3.59Å; C34-I52 WeakPolarHBondContact O-CA 3.28Å; C34-F53 WeakPolarHBondContact CB-O 3.25Å; C34-F53 PolarHBondContact O-N 3.24Å
35	Y	41.5	Very low	36.2	Very low	139 Å²	139	94.5 Å²	94.5	55%	0.545	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148	176	66.6	-86.6	0	0	0	111.8	P33 I50 N51	P33-Y35 HydrophobicContact CB-CD1 3.82Å; P33-Y35 HydrophobicContact CB-CE1 4.4Å; P33-Y35 HydrophobicContact CG-CD1 3.82Å; P33-Y35 HydrophobicContact CG-CE1 3.87Å; P33-Y35 WeakPolarHBondContact O-CD1 3.48Å; P33-Y35 PolarHBondContact O-N 2.72Å; P33-Y35 VanDerWaalsContact O-N 3.17Å; Y35-I50 HydrophobicContact CD2-CG2 4.48Å; Y35-N51 CarbonylContact C-O 3.51Å; Y35-N51 WeakPolarHBondContact CA-O 3.48Å; Y35-N51 WeakPolarHBondContact CB-O 3.27Å
36	T	38.8	Very low	36.7	Very low	69 Å²	69	92.1 Å²	92.1	42%	0.423	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.2	165	64.1	0	0	0	0	107.9	I50 N51 F53	T36-I50 CarbonylContact O-C 3.56Å; T36-I50 WeakPolarHBondContact O-CA 3.49Å; T36-N51 PolarHBondContact N-O 3.17Å; T36-N51 PolarHBondContact O-N 2.72Å; T36-N51 WeakPolarHBondContact OG1-CB 3.34Å; T36-N51 PolarHBondContact OG1-ND2 2.73Å; T36-N51 VanDerWaalsContact OG1-ND2 3.08Å; T36-F53 HydrophobicContact CG2-CD2 4.46Å; T36-F53 HydrophobicContact CG2-CE2 4.28Å
37	M	39.5	Very low	37	Very low	113 Å²	113	87.1 Å²	87.1	56%	0.557	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.4	169.6	-169.7	176.6	82.2	0	0	109.2	Y48 Q49 I50	M37-Y48 HydrophobicContact SD-CD1 4.43Å; M37-Q49 CarbonylContact C-O 3.51Å; M37-Q49 VanDerWaalsContact CA-O 3.25Å; M37-Q49 WeakPolarHBondContact CA-O 3.41Å; M37-I50 HydrophobicContact CB-CG1 4.26Å; M37-I50 HydrophobicContact CG-CG1 3.87Å; M37-I50 HydrophobicContact SD-CG1 4.38Å
38	S	38.6	Very low	37.5	Very low	45 Å²	45	86.1 Å²	86.1	32%	0.315	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.6	168.2	56.9	0	0	0	0	109.5	Y48 Q49	S38-Y48 CarbonylContact O-C 3.42Å; S38-Y48 WeakPolarHBondContact O-CA 3.5Å; S38-Q49 PolarHBondContact N-O 2.85Å; S38-Q49 PolarHBondContact O-N 2.95Å; S38-Q49 WeakPolarHBondContact OG-CB 3.39Å
39	E	37.8	Very low	38.1	Very low	90 Å²	90	85.1 Å²	85.1	42%	0.421	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.7	172.9	-178.3	172	-152.5	0	0	108.7	N46 F47 Y48	E39-N46 PolarHBondContact OE1-ND2 3.22Å; E39-F47 CarbonylContact C-O 3.49Å; E39-F47 VanDerWaalsContact CA-O 3.32Å; E39-F47 WeakPolarHBondContact CA-O 3.35Å; E39-Y48 HydrophobicContact CB-CD1 4.17Å; E39-Y48 HydrophobicContact CB-CE1 4.16Å; E39-Y48 VanDerWaalsContact CD-CE1 3.45Å; E39-Y48 HydrophobicContact CG-CD1 4.12Å; E39-Y48 HydrophobicContact CG-CE1 3.71Å; E39-Y48 VanDerWaalsContact OE1-CE1 3.24Å; E39-Y48 WeakPolarHBondContact OE1-CE1 3.44Å; E39-Y48 VanDerWaalsContact OE1-CZ 3.26Å; E39-Y48 PolarHBondContact OE1-OH 2.98Å
40	I	39.9	Very low	38.7	Very low	95 Å²	95	83 Å²	83	49%	0.487	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.4	171.5	-60	171.9	0	0	0	106.8	N46 F47	I40-N46 CarbonylContact O-C 3.51Å; I40-N46 WeakPolarHBondContact O-CA 3.41Å; I40-F47 HydrophobicContact CB-CB 4.17Å; I40-F47 PolarHBondContact N-O 2.81Å; I40-F47 PolarHBondContact O-N 3.45Å
41	I	41.4	Very low	39.4	Very low	114 Å²	114	79.4 Å²	79.4	59%	0.585	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.9	175.5	-54.8	178.6	0	0	0	107.3	I184	I41-I184 HydrophobicContact CG2-CD1 4.11Å
42	D	42	Very low	40.1	Very low	77 Å²	77	79.1 Å²	79.1	41%	0.412	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	109.6	174.7	175.9	16.2	0	0	0	109	D44 V45 F47	D42-D44 PolarHBondContact O-N 2.85Å; D42-V45 PolarHBondContact N-O 3.45Å; D42-V45 WeakPolarHBondContact O-CA 3.39Å; D42-V45 WeakPolarHBondContact O-CB 3.28Å; D42-V45 PolarHBondContact O-N 3.19Å; D42-F47 HydrophobicContact CB-CD2 4.09Å; D42-F47 HydrophobicContact CB-CE2 3.76Å
43	R	51.2	Low	40.5	Very low	218 Å²	218	74.7 Å²	74.7	82%	0.823	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-120.1	-174.3	-58.8	175.4	-177	-173.3	0.6	111	V45	R43-V45 VanDerWaalsContact C-N 3.26Å; R43-V45 PolarHBondContact O-N 3.39Å
44	D	46.6	Very low	40.6	Very low	88 Å²	88	71.7 Å²	71.7	47%	0.471	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	29.9	178.6	-53.6	-47.2	0	0	0	111.4	D42 K183 I184	D42-D44 PolarHBondContact O-N 2.85Å; D44-K183 CarbonylContact O-C 3.56Å; D44-K183 WeakPolarHBondContact O-CA 3.37Å; D44-I184 HydrophobicContact CB-CB 4.24Å; D44-I184 PolarHBondContact O-N 3.1Å
45	V	33.5	Very low	40.5	Very low	18 Å²	18	70.6 Å²	70.6	11%	0.109	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.5	-176	-174.1	0	0	0	0	111.1	D42 R43 F47 R181 K182	D42-V45 PolarHBondContact N-O 3.45Å; D42-V45 WeakPolarHBondContact O-CA 3.39Å; D42-V45 WeakPolarHBondContact O-CB 3.28Å; D42-V45 PolarHBondContact O-N 3.19Å; R43-V45 VanDerWaalsContact C-N 3.26Å; R43-V45 PolarHBondContact O-N 3.39Å; V45-F47 HydrophobicContact CB-CE2 4.32Å; V45-F47 HydrophobicContact CG1-CD2 4.24Å; V45-F47 HydrophobicContact CG1-CE1 4.31Å; V45-F47 HydrophobicContact CG1-CE2 3.87Å; V45-F47 HydrophobicContact CG1-CZ 3.91Å; V45-R181 HydrophobicContact CG1-CG 3.37Å; V45-K182 CarbonylContact C-O 3.58Å; V45-K182 VanDerWaalsContact CA-O 3.28Å; V45-K182 WeakPolarHBondContact CA-O 3.33Å
46	N	38	Very low	40.4	Very low	20 Å²	20	67.2 Å²	67.2	11%	0.107	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.5	166.6	-63.1	-12.3	0	0	0	109.5	E39 I40 Y48 R181 K182 I184	E39-N46 PolarHBondContact OE1-ND2 3.22Å; I40-N46 CarbonylContact O-C 3.51Å; I40-N46 WeakPolarHBondContact O-CA 3.41Å; N46-Y48 HydrophobicContact CB-CD2 4.42Å; N46-Y48 HydrophobicContact CB-CE2 3.58Å; N46-Y48 PolarHBondContact ND2-OH 3.1Å; N46-Y48 VanDerWaalsContact ND2-OH 3.09Å; N46-R181 CarbonylContact O-C 3.59Å; N46-R181 WeakPolarHBondContact O-CA 2.88Å; N46-K182 HydrophobicContact CB-CB 4.29Å; N46-K182 PolarHBondContact N-O 3.27Å; N46-K182 PolarHBondContact O-N 3Å; N46-I184 WeakPolarHBondContact OD1-CD1 3.36Å
47	F	36.8	Very low	40.3	Very low	61 Å²	61	69.4 Å²	69.4	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.7	169.4	-67.6	-79.9	0	0	0	109.7	E39 I40 D42 V45 V179 L180 R181	E39-F47 CarbonylContact C-O 3.49Å; E39-F47 VanDerWaalsContact CA-O 3.32Å; E39-F47 WeakPolarHBondContact CA-O 3.35Å; I40-F47 HydrophobicContact CB-CB 4.17Å; I40-F47 PolarHBondContact N-O 2.81Å; I40-F47 PolarHBondContact O-N 3.45Å; D42-F47 HydrophobicContact CB-CD2 4.09Å; D42-F47 HydrophobicContact CB-CE2 3.76Å; V45-F47 HydrophobicContact CB-CE2 4.32Å; V45-F47 HydrophobicContact CG1-CD2 4.24Å; V45-F47 HydrophobicContact CG1-CE1 4.31Å; V45-F47 HydrophobicContact CG1-CE2 3.87Å; V45-F47 HydrophobicContact CG1-CZ 3.91Å; F47-V179 HydrophobicContact CD1-CG1 3.99Å; F47-L180 CarbonylContact C-O 3.48Å; F47-L180 WeakPolarHBondContact CA-O 3.2Å; F47-R181 HydrophobicContact CE1-CG 4.21Å
48	Y	40.2	Very low	40.2	Very low	40 Å²	40	72.3 Å²	72.3	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.5	172.1	-54.5	-94.5	0	0	0	108.8	M37 S38 E39 N46 V179 L180 K182	M37-Y48 HydrophobicContact SD-CD1 4.43Å; S38-Y48 CarbonylContact O-C 3.42Å; S38-Y48 WeakPolarHBondContact O-CA 3.5Å; E39-Y48 HydrophobicContact CB-CD1 4.17Å; E39-Y48 HydrophobicContact CB-CE1 4.16Å; E39-Y48 VanDerWaalsContact CD-CE1 3.45Å; E39-Y48 HydrophobicContact CG-CD1 4.12Å; E39-Y48 HydrophobicContact CG-CE1 3.71Å; E39-Y48 VanDerWaalsContact OE1-CE1 3.24Å; E39-Y48 WeakPolarHBondContact OE1-CE1 3.44Å; E39-Y48 VanDerWaalsContact OE1-CZ 3.26Å; E39-Y48 PolarHBondContact OE1-OH 2.98Å; N46-Y48 HydrophobicContact CB-CD2 4.42Å; N46-Y48 HydrophobicContact CB-CE2 3.58Å; N46-Y48 PolarHBondContact ND2-OH 3.1Å; N46-Y48 VanDerWaalsContact ND2-OH 3.09Å; Y48-V179 CarbonylContact O-C 3.48Å; Y48-V179 VanDerWaalsContact O-CA 3.25Å; Y48-V179 WeakPolarHBondContact O-CA 3.3Å; Y48-L180 HydrophobicContact CD2-CB 3.9Å; Y48-L180 HydrophobicContact CD2-CD2 3.54Å; Y48-L180 HydrophobicContact CD2-CG 4.21Å; Y48-L180 HydrophobicContact CE2-CD2 4.03Å; Y48-L180 HydrophobicContact CG-CB 4.31Å; Y48-L180 HydrophobicContact CG-CD2 4.28Å; Y48-L180 PolarHBondContact N-O 3.18Å; Y48-L180 PolarHBondContact O-N 3.34Å; Y48-K182 HydrophobicContact CE2-CB 4.14Å; Y48-K182 HydrophobicContact CE2-CD 4.5Å
49	Q	40.6	Very low	40	Very low	54 Å²	54	73.1 Å²	73.1	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124	169.8	174	177.3	-28.2	0	0	110	M37 S38 N51 K177 M178	M37-Q49 CarbonylContact C-O 3.51Å; M37-Q49 VanDerWaalsContact CA-O 3.25Å; M37-Q49 WeakPolarHBondContact CA-O 3.41Å; S38-Q49 PolarHBondContact N-O 2.85Å; S38-Q49 PolarHBondContact O-N 2.95Å; S38-Q49 WeakPolarHBondContact OG-CB 3.39Å; Q49-N51 PolarHBondContact NE2-ND2 3.42Å; Q49-N51 PolarHBondContact NE2-OD1 3.44Å; Q49-K177 HydrophobicContact CG-CG 4.33Å; Q49-M178 WeakPolarHBondContact CA-O 3.11Å
50	I	42.1	Very low	40	Very low	40 Å²	40	78.7 Å²	78.7	21%	0.205	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.3	170.6	-63.6	163.9	0	0	0	107	Y35 T36 M37 I52 L176 M178	Y35-I50 HydrophobicContact CD2-CG2 4.48Å; T36-I50 CarbonylContact O-C 3.56Å; T36-I50 WeakPolarHBondContact O-CA 3.49Å; M37-I50 HydrophobicContact CB-CG1 4.26Å; M37-I50 HydrophobicContact CG-CG1 3.87Å; M37-I50 HydrophobicContact SD-CG1 4.38Å; I50-I52 HydrophobicContact CG2-CG1 4.13Å; I50-L176 VanDerWaalsContact O-O 3.08Å; I50-M178 HydrophobicContact CB-CB 4.26Å; I50-M178 HydrophobicContact CB-CE 4.42Å; I50-M178 HydrophobicContact CB-SD 4.44Å; I50-M178 HydrophobicContact CD1-CE 3.6Å; I50-M178 PolarHBondContact N-O 3.48Å; I50-M178 VanDerWaalsContact N-O 3.12Å; I50-M178 PolarHBondContact O-N 2.88Å
51	N	40.2	Very low	39.8	Very low	24 Å²	24	79.1 Å²	79.1	13%	0.128	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.3	168.2	-50	-54.2	0	0	0	108.4	Y35 T36 Q49 F53 L176	Y35-N51 CarbonylContact C-O 3.51Å; Y35-N51 WeakPolarHBondContact CA-O 3.48Å; Y35-N51 WeakPolarHBondContact CB-O 3.27Å; T36-N51 PolarHBondContact N-O 3.17Å; T36-N51 PolarHBondContact O-N 2.72Å; T36-N51 WeakPolarHBondContact OG1-CB 3.34Å; T36-N51 PolarHBondContact OG1-ND2 2.73Å; T36-N51 VanDerWaalsContact OG1-ND2 3.08Å; Q49-N51 PolarHBondContact NE2-ND2 3.42Å; Q49-N51 PolarHBondContact NE2-OD1 3.44Å; N51-F53 HydrophobicContact CB-CD2 4.01Å; N51-F53 HydrophobicContact CB-CE1 4.31Å; N51-F53 HydrophobicContact CB-CE2 3.24Å; N51-F53 HydrophobicContact CB-CZ 3.41Å; N51-F53 VanDerWaalsContact CB-CZ 3.41Å; N51-L176 VanDerWaalsContact CA-O 3.28Å; N51-L176 WeakPolarHBondContact CA-O 3.23Å
52	I	42.4	Very low	39.4	Very low	42 Å²	42	74.9 Å²	74.9	22%	0.215	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.9	171.5	-52.6	-176.4	0	0	0	107.4	I24 C34 I50 L176	I24-I52 HydrophobicContact CD1-CD1 4.13Å; C34-I52 CarbonylContact O-C 3.59Å; C34-I52 WeakPolarHBondContact O-CA 3.28Å; I50-I52 HydrophobicContact CG2-CG1 4.13Å; I52-L176 HydrophobicContact CB-CB 4.2Å; I52-L176 HydrophobicContact CD1-CB 4.4Å; I52-L176 HydrophobicContact CD1-CD2 3.76Å; I52-L176 HydrophobicContact CG1-CB 4.31Å; I52-L176 HydrophobicContact CG1-CD2 4.25Å; I52-L176 PolarHBondContact N-O 3.17Å
53	F	41.4	Very low	38.9	Very low	73 Å²	73	75.9 Å²	75.9	32%	0.32	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	86.9	179	-55.5	-76.3	0	0	0	109.3	C34 T36 N51 P55 I175	C34-F53 WeakPolarHBondContact CB-O 3.25Å; C34-F53 PolarHBondContact O-N 3.24Å; T36-F53 HydrophobicContact CG2-CD2 4.46Å; T36-F53 HydrophobicContact CG2-CE2 4.28Å; N51-F53 HydrophobicContact CB-CD2 4.01Å; N51-F53 HydrophobicContact CB-CE1 4.31Å; N51-F53 HydrophobicContact CB-CE2 3.24Å; N51-F53 HydrophobicContact CB-CZ 3.41Å; N51-F53 VanDerWaalsContact CB-CZ 3.41Å; F53-P55 VanDerWaalsContact O-CD 3.3Å; F53-P55 WeakPolarHBondContact O-CD 3.49Å; F53-I175 HydrophobicContact CD1-CG1 4.14Å; F53-I175 HydrophobicContact CE1-CD1 4.3Å; F53-I175 HydrophobicContact CE1-CG1 4.05Å; F53-I175 HydrophobicContact CE1-CG2 4.05Å
54	C	40.4	Very low	38.3	Very low	12 Å²	12	70.7 Å²	70.7	8%	0.081	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	98.2	174.3	-64.8	0	0	0	0	109.1	Y56	C54-Y56 HydrophobicContact CB-CD2 3.99Å; C54-Y56 HydrophobicContact CB-CE1 4.26Å; C54-Y56 HydrophobicContact CB-CE2 3.33Å; C54-Y56 VanDerWaalsContact CB-CZ 3.48Å; C54-Y56 WeakPolarHBondContact O-CD2 3.19Å; C54-Y56 PolarHBondContact O-N 2.94Å; C54-Y56 VanDerWaalsContact O-N 3.16Å
55	P	37.5	Very low	37.6	Very low	50 Å²	50	70.1 Å²	70.1	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	107	165.8	28.5	-30.7	0	0	0	108.1	F53 Y70	F53-P55 VanDerWaalsContact O-CD 3.3Å; F53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-Y70 HydrophobicContact CG-CE1 4.43Å; P55-Y70 HydrophobicContact CG-CE2 3.91Å
56	Y	39.4	Very low	37.6	Very low	68 Å²	68	75.5 Å²	75.5	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117	173.8	-67.2	-75.1	0	0	0	109.3	C54 Y64	C54-Y56 HydrophobicContact CB-CD2 3.99Å; C54-Y56 HydrophobicContact CB-CE1 4.26Å; C54-Y56 HydrophobicContact CB-CE2 3.33Å; C54-Y56 VanDerWaalsContact CB-CZ 3.48Å; C54-Y56 WeakPolarHBondContact O-CD2 3.19Å; C54-Y56 PolarHBondContact O-N 2.94Å; C54-Y56 VanDerWaalsContact O-N 3.16Å; Y56-Y64 AromaticContact CD1-CD1 3.97Å; Y56-Y64 HydrophobicContact CD1-CD1 3.97Å; Y56-Y64 HydrophobicContact CD1-CE1 4.35Å; Y56-Y64 HydrophobicContact CD1-CG 4.46Å; Y56-Y64 HydrophobicContact CG-CD1 4.15Å; Y56-Y64 HydrophobicContact CG-CE1 4.19Å
57	R	36.9	Very low	37.5	Very low	116 Å²	116	77.6 Å²	77.6	44%	0.438	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-90.2	127.2	163.5	-78.8	-177	167.6	164	-6.9	109.8	Y64 L65 E67	R57-Y64 WeakPolarHBondContact O-CA 3.27Å; R57-L65 HydrophobicContact CB-CB 4.22Å; R57-L65 HydrophobicContact CB-CD1 3.95Å; R57-L65 PolarHBondContact O-N 3.01Å; R57-E67 WeakPolarHBondContact CD-OE1 3.19Å; R57-E67 IonicContact CZ-OE1 3.77Å; R57-E67 IonicContact NE-OE1 3.96Å; R57-E67 IonicContact NH1-OE1 2.92Å; R57-E67 PolarHBondContact NH1-OE1 3.27Å
58	R	36.4	Very low	37.4	Very low	174 Å²	174	82.9 Å²	82.9	66%	0.657	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-96.8	125.6	174.4	-160.9	175.6	-176.6	-167.2	-3.4	109.2	G62 N63	R58-G62 PolarHBondContact NE-O 2.97Å; R58-N63 CarbonylContact C-O 3.6Å
59	N	35.2	Very low	37	Very low	61 Å²	61	88.2 Å²	88.2	33%	0.326	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-69.2	161.4	170.6	-81.9	-21.2	0	0	0	110.8	D61 G62 N63 L65	N59-D61 WeakPolarHBondContact CB-OD1 3.32Å; N59-D61 PolarHBondContact O-N 3.19Å; N59-D61 VanDerWaalsContact O-N 3.17Å; N59-G62 PolarHBondContact O-N 3.19Å; N59-N63 WeakPolarHBondContact CB-O 3.25Å; N59-N63 PolarHBondContact N-O 3.12Å; N59-L65 VanDerWaalsContact ND2-CD2 3.3Å; N59-L65 WeakPolarHBondContact ND2-CD2 3.08Å; N59-L65 VanDerWaalsContact OD1-CD1 3.28Å; N59-L65 WeakPolarHBondContact OD1-CD1 3.4Å; N59-L65 VanDerWaalsContact OD1-CD2 3.23Å; N59-L65 WeakPolarHBondContact OD1-CD2 3.42Å; N59-L65 WeakPolarHBondContact OD1-CG 3.44Å
60	K	38.6	Very low	36.6	Very low	207 Å²	207	90.2 Å²	90.2	90%	0.9	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.5	175.7	-67.1	-175.6	178.4	-179.6	0	113.9	G62	K60-G62 VanDerWaalsContact C-N 3.27Å
61	D	35.3	Very low	36	Very low	104 Å²	104	91.4 Å²	91.4	56%	0.556	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.4	175.4	63.7	-1.9	0	0	0	112.9	N59 N63	N59-D61 WeakPolarHBondContact CB-OD1 3.32Å; N59-D61 PolarHBondContact O-N 3.19Å; N59-D61 VanDerWaalsContact O-N 3.17Å; D61-N63 WeakPolarHBondContact OD1-CB 3.24Å; D61-N63 PolarHBondContact OD1-N 3.47Å; D61-N63 PolarHBondContact OD2-ND2 3.47Å
62	G	31.6	Very low	35.6	Very low	25 Å²	25	95.5 Å²	95.5	26%	0.258	46%	0.46	S	S	.	.	S	Bend	trans	89	-4.9	-179.7	0	0	0	0	0	114.8	R58 N59 K60	R58-G62 PolarHBondContact NE-O 2.97Å; N59-G62 PolarHBondContact O-N 3.19Å; K60-G62 VanDerWaalsContact C-N 3.27Å
63	N	33.2	Very low	35	Very low	98 Å²	98	99 Å²	99	52%	0.524	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-79.2	152.7	178.4	-66.4	-44.1	0	0	0	111.8	R58 N59 D61	R58-N63 CarbonylContact C-O 3.6Å; N59-N63 WeakPolarHBondContact CB-O 3.25Å; N59-N63 PolarHBondContact N-O 3.12Å; D61-N63 WeakPolarHBondContact OD1-CB 3.24Å; D61-N63 PolarHBondContact OD1-N 3.47Å; D61-N63 PolarHBondContact OD2-ND2 3.47Å
64	Y	38.7	Very low	34.5	Very low	109 Å²	109	101.7 Å²	101.7	43%	0.427	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-86.1	136.3	173.7	-68	-77.4	0	0	0	110.9	P28 Y56 R57 H66	P28-Y64 HydrophobicContact CG-CE2 4.21Å; Y56-Y64 AromaticContact CD1-CD1 3.97Å; Y56-Y64 HydrophobicContact CD1-CD1 3.97Å; Y56-Y64 HydrophobicContact CD1-CE1 4.35Å; Y56-Y64 HydrophobicContact CD1-CG 4.46Å; Y56-Y64 HydrophobicContact CG-CD1 4.15Å; Y56-Y64 HydrophobicContact CG-CE1 4.19Å; R57-Y64 WeakPolarHBondContact O-CA 3.27Å; Y64-H66 PolarHBondContact O-N 2.82Å
65	L	32	Very low	34.1	Very low	76 Å²	76	105 Å²	105	40%	0.398	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-76.2	120.9	171.4	-74	171.3	0	0	0	109.8	R57 N59 E67	R57-L65 HydrophobicContact CB-CB 4.22Å; R57-L65 HydrophobicContact CB-CD1 3.95Å; R57-L65 PolarHBondContact O-N 3.01Å; N59-L65 VanDerWaalsContact ND2-CD2 3.3Å; N59-L65 WeakPolarHBondContact ND2-CD2 3.08Å; N59-L65 VanDerWaalsContact OD1-CD1 3.28Å; N59-L65 WeakPolarHBondContact OD1-CD1 3.4Å; N59-L65 VanDerWaalsContact OD1-CD2 3.23Å; N59-L65 WeakPolarHBondContact OD1-CD2 3.42Å; N59-L65 WeakPolarHBondContact OD1-CG 3.44Å; L65-E67 PolarHBondContact O-N 2.91Å
66	H	33.7	Very low	33.8	Very low	132 Å²	132	107.2 Å²	107.2	61%	0.611	52%	0.522	S	S	*	.			trans	-80.1	100.6	164.2	-164.1	1.9	0	0	0	107.6	Y64 E68	Y64-H66 PolarHBondContact O-N 2.82Å; H66-E68 PolarHBondContact O-N 2.81Å
67	E	35.1	Very low	33.3	Very low	63 Å²	63	107.2 Å²	107.2	29%	0.294	53%	0.532	S	S	.	.			trans	-79.6	96.1	173.6	-77.4	-167.5	-168	0	0	109.3	R57 L65 L69 Y70	R57-E67 WeakPolarHBondContact CD-OE1 3.19Å; R57-E67 IonicContact CZ-OE1 3.77Å; R57-E67 IonicContact NE-OE1 3.96Å; R57-E67 IonicContact NH1-OE1 2.92Å; R57-E67 PolarHBondContact NH1-OE1 3.27Å; L65-E67 PolarHBondContact O-N 2.91Å; E67-L69 PolarHBondContact O-N 2.85Å; E67-L69 VanDerWaalsContact O-N 3.09Å; E67-Y70 HydrophobicContact CB-CD2 3.64Å; E67-Y70 HydrophobicContact CB-CE2 3.76Å; E67-Y70 VanDerWaalsContact CD-CE2 3.42Å; E67-Y70 HydrophobicContact CG-CD2 4.37Å; E67-Y70 HydrophobicContact CG-CE2 4.03Å; E67-Y70 WeakPolarHBondContact OE2-CD2 3.22Å; E67-Y70 WeakPolarHBondContact OE2-CE2 3.29Å; E67-Y70 PolarHBondContact OE2-OH 3.37Å
68	E	35.6	Very low	32.9	Very low	173 Å²	173	107.3 Å²	107.3	81%	0.808	54%	0.537	S	S	*	.	S	Bend	trans	-63.6	-1.4	171.5	-77.6	-175.4	149.2	0	0	113.6	H66	H66-E68 PolarHBondContact O-N 2.81Å
69	L	31	Very low	32.7	Very low	151 Å²	151	103 Å²	103	79%	0.791	52%	0.524	S	S	*	.			trans	-148.7	66.6	-169.4	-73.8	162.1	0	0	0	110.9	E67 P71	E67-L69 PolarHBondContact O-N 2.85Å; E67-L69 VanDerWaalsContact O-N 3.09Å; L69-P71 WeakPolarHBondContact O-CD 3.14Å
70	Y	32	Very low	32.4	Very low	97 Å²	97	108.9 Å²	108.9	38%	0.38	54%	0.542	S	S	.	.			trans	-85.1	107.8	167.1	-109.4	-74.7	0	0	0	109.9	P55 E67 T72 H74	P55-Y70 HydrophobicContact CG-CE1 4.43Å; P55-Y70 HydrophobicContact CG-CE2 3.91Å; E67-Y70 HydrophobicContact CB-CD2 3.64Å; E67-Y70 HydrophobicContact CB-CE2 3.76Å; E67-Y70 VanDerWaalsContact CD-CE2 3.42Å; E67-Y70 HydrophobicContact CG-CD2 4.37Å; E67-Y70 HydrophobicContact CG-CE2 4.03Å; E67-Y70 WeakPolarHBondContact OE2-CD2 3.22Å; E67-Y70 WeakPolarHBondContact OE2-CE2 3.29Å; E67-Y70 PolarHBondContact OE2-OH 3.37Å; Y70-T72 PolarHBondContact O-N 2.79Å; Y70-H74 HydrophobicContact CE1-CB 4.35Å
71	P	28.8	Very low	31.9	Very low	65 Å²	65	106 Å²	106	42%	0.422	53%	0.531	S	S	.	.			trans	-64.5	128.1	164	26.1	-30.1	0	0	0	107.9	L69 N73 H74	L69-P71 WeakPolarHBondContact O-CD 3.14Å; P71-N73 PolarHBondContact O-N 3.12Å; P71-H74 PolarHBondContact O-N 2.78Å
72	T	32.2	Very low	31.6	Very low	109 Å²	109	107.1 Å²	107.1	67%	0.669	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-52.8	-1	174.1	25.5	0	0	0	0	114.8	Y70	Y70-T72 PolarHBondContact O-N 2.79Å
73	N	30.1	Very low	31.4	Very low	116 Å²	116	109.3 Å²	109.3	62%	0.62	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-83.6	-6.2	-178.9	-66.4	-16.3	0	0	0	114.3	P71	P71-N73 PolarHBondContact O-N 3.12Å
74	H	31.2	Very low	31.1	Very low	129 Å²	129	109 Å²	109	60%	0.597	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-92.3	6.2	179.4	-76	-54.7	0	0	0	115.8	Y70 P71 N76	Y70-H74 HydrophobicContact CE1-CB 4.35Å; P71-H74 PolarHBondContact O-N 2.78Å; H74-N76 PolarHBondContact O-N 2.8Å
75	V	31.8	Very low	30.5	Very low	82 Å²	82	112.3 Å²	112.3	50%	0.497	58%	0.583	S	S	.	*	S	Bend	trans	-75.3	71.7	159.5	-167.1	0	0	0	0	108	H79	V75-H79 HydrophobicContact CG1-CB 4.12Å
76	N	30.6	Very low	30.3	Very low	96 Å²	96	112.7 Å²	112.7	51%	0.513	60%	0.598	S	S	.	*			trans	-55.9	146.4	179.6	-136.4	1	0	0	0	109	H74 Q78 H79	H74-N76 PolarHBondContact O-N 2.8Å; N76-Q78 PolarHBondContact O-N 3.44Å; N76-H79 PolarHBondContact O-N 3.19Å
77	S	29	Very low	29.9	Very low	68 Å²	68	111 Å²	111	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-40.8	-33.5	-179.7	37.4	0	0	0	0	114.3	H79 R80 E81	S77-H79 VanDerWaalsContact C-N 3.3Å; S77-H79 PolarHBondContact O-N 2.73Å; S77-R80 WeakPolarHBondContact O-CA 3.2Å; S77-R80 WeakPolarHBondContact O-CB 3.07Å; S77-R80 PolarHBondContact O-N 3.09Å; S77-E81 WeakPolarHBondContact O-CG 3.48Å; S77-E81 PolarHBondContact O-N 3.08Å
78	Q	29.4	Very low	29.6	Very low	119 Å²	119	114.3 Å²	114.3	56%	0.556	62%	0.621	S	S	*	*	H	α-helix	trans	-56.9	-33.5	177.3	-153.3	168.6	0.7	0	0	114.8	N76 N82	N76-Q78 PolarHBondContact O-N 3.44Å; Q78-N82 WeakPolarHBondContact O-CB 3.29Å; Q78-N82 VanDerWaalsContact O-CG 3.28Å; Q78-N82 PolarHBondContact O-N 2.8Å; Q78-N82 PolarHBondContact O-ND2 2.9Å
79	H	30.7	Very low	29.3	Very low	82 Å²	82	110.3 Å²	110.3	38%	0.38	61%	0.608	S	S	.	*	H	α-helix	trans	-81.8	-23.4	176.2	-69.3	76	0	0	0	112.6	V75 N76 S77 L173	V75-H79 HydrophobicContact CG1-CB 4.12Å; N76-H79 PolarHBondContact O-N 3.19Å; S77-H79 VanDerWaalsContact C-N 3.3Å; S77-H79 PolarHBondContact O-N 2.73Å; H79-L173 WeakPolarHBondContact NE2-CD2 3.28Å
80	R	29.7	Very low	29.2	Very low	185 Å²	185	105.8 Å²	105.8	70%	0.698	59%	0.588	S	S	*	*	H	α-helix	trans	-77.4	-32.7	173.1	-59.9	-177.3	-170.7	-178.1	1.2	111.4	S77	S77-R80 WeakPolarHBondContact O-CA 3.2Å; S77-R80 WeakPolarHBondContact O-CB 3.07Å; S77-R80 PolarHBondContact O-N 3.09Å
81	E	28.4	Very low	29.3	Very low	146 Å²	146	104.8 Å²	104.8	68%	0.682	59%	0.592	S	S	*	*	H	α-helix	trans	-74.8	-29.7	176.4	-71.8	169	-169.2	0	0	112.5	S77	S77-E81 WeakPolarHBondContact O-CG 3.48Å; S77-E81 PolarHBondContact O-N 3.08Å
82	N	28.6	Very low	29.6	Very low	128 Å²	128	109.1 Å²	109.1	68%	0.684	61%	0.612	S	S	*	*	S	Bend	trans	-93	4.5	179.5	-69.5	-22.4	0	0	0	114.4	Q78 A84	Q78-N82 WeakPolarHBondContact O-CB 3.29Å; Q78-N82 VanDerWaalsContact O-CG 3.28Å; Q78-N82 PolarHBondContact O-N 2.8Å; Q78-N82 PolarHBondContact O-ND2 2.9Å; N82-A84 PolarHBondContact O-N 2.86Å; N82-A84 VanDerWaalsContact O-N 3.17Å
83	A	27.5	Very low	30	Very low	71 Å²	71	107.4 Å²	107.4	59%	0.587	62%	0.615	S	S	*	*	S	Bend	trans	-65	116.6	173.8	0	0	0	0	0	109.4	Q85	A83-Q85 PolarHBondContact O-N 2.81Å
84	A	27.6	Very low	30.5	Very low	91 Å²	91	105.1 Å²	105.1	75%	0.752	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56.4	125.3	178.7	0	0	0	0	0	110.4	N82 A86	N82-A84 PolarHBondContact O-N 2.86Å; N82-A84 VanDerWaalsContact O-N 3.17Å; A84-A86 PolarHBondContact O-N 2.78Å
85	Q	26.6	Very low	31.1	Very low	179 Å²	179	105.8 Å²	105.8	84%	0.836	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.7	134.6	175	-155	172.9	6.9	0	0	109.1	A83 S87	A83-Q85 PolarHBondContact O-N 2.81Å; Q85-S87 PolarHBondContact O-N 2.72Å
86	A	26.8	Very low	31.3	Very low	85 Å²	85	105.5 Å²	105.5	70%	0.702	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58.3	134.7	173.8	0	0	0	0	0	109.5	A84 D88	A84-A86 PolarHBondContact O-N 2.78Å; A86-D88 PolarHBondContact O-N 3.26Å
87	S	26.1	Very low	31.8	Very low	95 Å²	95	107.5 Å²	107.5	66%	0.664	63%	0.631	S	S	*	*	S	Bend	trans	-52.5	119.1	-176	-165	0	0	0	0	111.5	Q85 V89	Q85-S87 PolarHBondContact O-N 2.72Å; S87-V89 VanDerWaalsContact C-N 3.31Å; S87-V89 WeakPolarHBondContact O-CG2 3.28Å; S87-V89 PolarHBondContact O-N 3.33Å
88	D	27.1	Very low	31.9	Very low	134 Å²	134	106.1 Å²	106.1	72%	0.717	62%	0.621	S	S	*	*	S	Bend	trans	51.4	-2.1	153.3	-61.4	-21.7	0	0	0	122.9	A86 C90	A86-D88 PolarHBondContact O-N 3.26Å; D88-C90 PolarHBondContact O-N 2.89Å
89	V	29.3	Very low	32	Very low	88 Å²	88	107.4 Å²	107.4	53%	0.533	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-18.5	-178.6	-163.9	0	0	0	0	113.2	S87 T94	S87-V89 VanDerWaalsContact C-N 3.31Å; S87-V89 WeakPolarHBondContact O-CG2 3.28Å; S87-V89 PolarHBondContact O-N 3.33Å; V89-T94 PolarHBondContact O-OG1 2.79Å
90	C	30.5	Very low	32.2	Very low	56 Å²	56	109.5 Å²	109.5	38%	0.378	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.9	38.7	-167.6	-64.2	0	0	0	0	115.1	D88	D88-C90 PolarHBondContact O-N 2.89Å
91	T	32.5	Very low	32.1	Very low	76 Å²	76	101.6 Å²	101.6	47%	0.466	62%	0.618	S	S	.	*			trans	-78.5	152.7	178.2	59.7	0	0	0	0	111.5	G93 T94	T91-G93 PolarHBondContact O-N 2.8Å; T91-T94 PolarHBondContact O-N 3.39Å; T91-T94 VanDerWaalsContact O-N 3.08Å; T91-T94 PolarHBondContact O-OG1 2.84Å
92	N	35.9	Very low	32.1	Very low	157 Å²	157	100 Å²	100	84%	0.84	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-4	-179.8	-79.2	-20.1	0	0	0	114.6
93	G	40.9	Very low	32.2	Very low	72 Å²	72	100.6 Å²	100.6	74%	0.742	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-3.4	177	0	0	0	0	0	115.4	T91	T91-G93 PolarHBondContact O-N 2.8Å
94	T	40.4	Very low	32.2	Very low	69 Å²	69	101.9 Å²	101.9	42%	0.423	61%	0.612	S	S	.	*			trans	-97	129.3	179	48.4	0	0	0	0	111.7	V89 T91 D96	V89-T94 PolarHBondContact O-OG1 2.79Å; T91-T94 PolarHBondContact O-N 3.39Å; T91-T94 VanDerWaalsContact O-N 3.08Å; T91-T94 PolarHBondContact O-OG1 2.84Å; T94-D96 PolarHBondContact O-N 2.78Å
95	T	42.9	Very low	32.3	Very low	143 Å²	143	103.3 Å²	103.3	88%	0.877	61%	0.611	S	S	*	*			trans	-81.8	20	176.2	48.6	0	0	0	0	113	T97	T95-T97 PolarHBondContact O-N 3.43Å
96	D	37.1	Very low	32.2	Very low	76 Å²	76	103.1 Å²	103.1	41%	0.406	61%	0.61	S	S	.	*			trans	-82.6	113.6	-173.1	-167.1	-11.2	0	0	0	110.2	T94 S98 C101	T94-D96 PolarHBondContact O-N 2.78Å; D96-S98 VanDerWaalsContact CG-OG 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.39Å; D96-S98 PolarHBondContact OD1-N 2.85Å; D96-S98 PolarHBondContact OD1-OG 3.42Å; D96-S98 PolarHBondContact OD2-OG 3.47Å; D96-C101 HydrophobicContact CB-CB 4.38Å; D96-C101 VanDerWaalsContact CB-SG 3.59Å; D96-C101 WeakPolarHBondContact O-CB 3.23Å
97	T	40	Very low	32.2	Very low	138 Å²	138	107.3 Å²	107.3	85%	0.847	61%	0.613	S	S	*	*			trans	-101.4	8.3	179.6	60.8	0	0	0	0	112.3	T95	T95-T97 PolarHBondContact O-N 3.43Å
98	S	32.9	Very low	32.4	Very low	38 Å²	38	111.3 Å²	111.3	27%	0.266	62%	0.618	S	S	.	*	S	Bend	trans	-60.9	155	174.3	63	0	0	0	0	110.8	D96 D100 C101	D96-S98 VanDerWaalsContact CG-OG 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.39Å; D96-S98 PolarHBondContact OD1-N 2.85Å; D96-S98 PolarHBondContact OD1-OG 3.42Å; D96-S98 PolarHBondContact OD2-OG 3.47Å; S98-D100 PolarHBondContact O-N 3.28Å; S98-C101 PolarHBondContact O-N 3.4Å
99	L	30.9	Very low	32.4	Very low	146 Å²	146	117.4 Å²	117.4	76%	0.764	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-55.1	-22.5	175.6	-89.7	115.3	0	0	0	112.2	C101 L102	L99-C101 PolarHBondContact O-N 2.88Å; L99-L102 HydrophobicContact CB-CD1 3.92Å; L99-L102 HydrophobicContact CD2-CD1 3.59Å; L99-L102 HydrophobicContact CG-CD1 3.65Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 WeakPolarHBondContact O-CD1 3.41Å; L99-L102 WeakPolarHBondContact O-CG 3.39Å; L99-L102 PolarHBondContact O-N 3.46Å
100	D	33.9	Very low	32.6	Very low	126 Å²	126	119.5 Å²	119.5	67%	0.674	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-71.1	-17.7	178.7	-53.3	-40.8	0	0	0	113.1	S98	S98-D100 PolarHBondContact O-N 3.28Å
101	C	28.5	Very low	32.7	Very low	20 Å²	20	122 Å²	122	14%	0.135	65%	0.645	C	S	.	*	G	3₁₀ helix	trans	-101.3	10.1	174.4	-80.9	0	0	0	0	114.1	D96 S98 L99 K103	D96-C101 HydrophobicContact CB-CB 4.38Å; D96-C101 VanDerWaalsContact CB-SG 3.59Å; D96-C101 WeakPolarHBondContact O-CB 3.23Å; S98-C101 PolarHBondContact O-N 3.4Å; L99-C101 PolarHBondContact O-N 2.88Å; C101-K103 PolarHBondContact O-N 2.86Å
102	L	27.3	Very low	32.8	Very low	112 Å²	112	122.6 Å²	122.6	59%	0.586	65%	0.648	S	S	*	*			trans	-70.5	104.8	179.2	-70.4	171.3	0	0	0	110.8	L99	L99-L102 HydrophobicContact CB-CD1 3.92Å; L99-L102 HydrophobicContact CD2-CD1 3.59Å; L99-L102 HydrophobicContact CG-CD1 3.65Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 WeakPolarHBondContact O-CD1 3.41Å; L99-L102 WeakPolarHBondContact O-CG 3.39Å; L99-L102 PolarHBondContact O-N 3.46Å
103	K	31.3	Very low	32.7	Very low	141 Å²	141	121.9 Å²	121.9	61%	0.613	64%	0.639	S	S	*	*			trans	-44.4	136.7	165.4	-66.9	-179.6	177.4	-178	0	109.5	C101 V105	C101-K103 PolarHBondContact O-N 2.86Å; K103-V105 PolarHBondContact O-N 3.09Å
104	P	28.7	Very low	32.5	Very low	98 Å²	98	122.5 Å²	122.5	64%	0.636	63%	0.629	S	S	*	*			trans	-50.2	122	173.1	19.3	-30	0	0	0	108	H106	P104-H106 PolarHBondContact O-CD2 2.8Å; P104-H106 VanDerWaalsContact O-CD2 3.25Å; P104-H106 PolarHBondContact O-N 3.09Å
105	V	28	Very low	32.3	Very low	120 Å²	120	124.4 Å²	124.4	73%	0.727	63%	0.631	S	S	*	*			trans	-67	86.9	-174.5	-179.4	0	0	0	0	107.8	K103 K107	K103-V105 PolarHBondContact O-N 3.09Å; V105-K107 HydrophobicContact CG1-CB 3.83Å; V105-K107 HydrophobicContact CG1-CG 4.44Å; V105-K107 PolarHBondContact O-N 2.82Å
106	H	25.9	Very low	31.9	Very low	175 Å²	175	121.6 Å²	121.6	81%	0.81	61%	0.608	S	S	*	*			trans	-73	27.1	170.3	-73.9	-73.5	0	0	0	112	P104 K108	P104-H106 PolarHBondContact O-CD2 2.8Å; P104-H106 VanDerWaalsContact O-CD2 3.25Å; P104-H106 PolarHBondContact O-N 3.09Å; H106-K108 PolarHBondContact O-N 2.83Å
107	K	27.1	Very low	32.1	Very low	174 Å²	174	122.8 Å²	122.8	76%	0.757	62%	0.615	S	S	*	*			trans	-92	106.1	176.9	-78.4	-175.4	175.1	177.1	0	109.8	V105	V105-K107 HydrophobicContact CG1-CB 3.83Å; V105-K107 HydrophobicContact CG1-CG 4.44Å; V105-K107 PolarHBondContact O-N 2.82Å
108	K	28.6	Very low	32	Very low	178 Å²	178	121.4 Å²	121.4	77%	0.774	60%	0.601	S	S	*	*			trans	48.8	87.6	148.5	-70.9	-177.1	173.7	-177.3	0	115.9	H106 E110	H106-K108 PolarHBondContact O-N 2.83Å; K108-E110 PolarHBondContact O-N 3.12Å; K108-E110 VanDerWaalsContact O-N 3.1Å
109	W	28.7	Very low	32.1	Very low	263 Å²	263	122.3 Å²	122.3	100%	0.996	61%	0.611	S	S	*	*				25	77.4	129.5	-59.4	76.8	0	0	0	115.3
110	E	32	Very low	32.4	Very low	131 Å²	131	119.1 Å²	119.1	61%	0.612	59%	0.594	S	S	*	*			trans	-97.8	141.1	155.5	-74.7	169.8	161.2	0	0	107.3	K108 V112	K108-E110 PolarHBondContact O-N 3.12Å; K108-E110 VanDerWaalsContact O-N 3.1Å; E110-V112 PolarHBondContact O-N 3.06Å
111	D	33.8	Very low	32.6	Very low	109 Å²	109	117.1 Å²	117.1	58%	0.583	58%	0.584	S	S	*	*			trans	-50.3	133.1	-171.6	-137.6	-31.4	0	0	0	111.8	E113 V114 K115	D111-E113 PolarHBondContact O-N 3.46Å; D111-V114 HydrophobicContact CB-CB 4.45Å; D111-V114 HydrophobicContact CB-CG2 3.99Å; D111-V114 WeakPolarHBondContact O-CB 3.08Å; D111-V114 PolarHBondContact O-N 3.03Å; D111-K115 PolarHBondContact O-N 3.2Å
112	V	33.5	Very low	32.9	Very low	89 Å²	89	119.8 Å²	119.8	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-59.6	-33.3	-174.4	173	0	0	0	0	110.7	E110 K115 Q116	E110-V112 PolarHBondContact O-N 3.06Å; V112-K115 PolarHBondContact O-N 2.8Å; V112-Q116 HydrophobicContact CG1-CG 4.42Å; V112-Q116 WeakPolarHBondContact O-CB 3.4Å; V112-Q116 WeakPolarHBondContact O-CG 3.47Å; V112-Q116 PolarHBondContact O-N 2.97Å
113	E	35.5	Very low	33	Very low	141 Å²	141	122.3 Å²	122.3	66%	0.659	60%	0.598	S	S	*	*	H	α-helix	trans	-63.2	-42.1	174.8	-66.9	-176.1	165.5	0	0	112	D111 K115 Q116 D117	D111-E113 PolarHBondContact O-N 3.46Å; E113-K115 PolarHBondContact O-N 2.83Å; E113-Q116 PolarHBondContact O-N 2.78Å; E113-D117 PolarHBondContact O-N 3.37Å
114	V	36.6	Very low	32.9	Very low	85 Å²	85	121 Å²	121	52%	0.515	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-40.3	178.2	176.9	0	0	0	0	110.8	D111 L118	D111-V114 HydrophobicContact CB-CB 4.45Å; D111-V114 HydrophobicContact CB-CG2 3.99Å; D111-V114 WeakPolarHBondContact O-CB 3.08Å; D111-V114 PolarHBondContact O-N 3.03Å; V114-L118 VanDerWaalsContact O-CB 3.27Å; V114-L118 WeakPolarHBondContact O-CB 3.46Å; V114-L118 PolarHBondContact O-N 3.48Å
115	K	34.5	Very low	32.9	Very low	110 Å²	110	123.5 Å²	123.5	48%	0.478	60%	0.601	S	S	.	*	H	α-helix	trans	-72	-33.3	176.3	-67.3	-165.6	-176.9	-170.8	0	112.6	D111 V112 E113 A119	D111-K115 PolarHBondContact O-N 3.2Å; V112-K115 PolarHBondContact O-N 2.8Å; E113-K115 PolarHBondContact O-N 2.83Å; K115-A119 WeakPolarHBondContact O-CB 3.11Å; K115-A119 PolarHBondContact O-N 3.02Å
116	Q	35.4	Very low	32.8	Very low	83 Å²	83	123.3 Å²	123.3	39%	0.388	60%	0.595	S	S	.	*	H	α-helix	trans	-66.4	-45.6	173.4	-82.9	178	-13.5	0	0	111.2	V112 E113 A119 L120	V112-Q116 HydrophobicContact CG1-CG 4.42Å; V112-Q116 WeakPolarHBondContact O-CB 3.4Å; V112-Q116 WeakPolarHBondContact O-CG 3.47Å; V112-Q116 PolarHBondContact O-N 2.97Å; E113-Q116 PolarHBondContact O-N 2.78Å; Q116-A119 PolarHBondContact O-N 3.35Å; Q116-L120 VanDerWaalsContact O-CB 3.29Å; Q116-L120 WeakPolarHBondContact O-CB 3.38Å; Q116-L120 WeakPolarHBondContact O-CG 3.39Å; Q116-L120 PolarHBondContact O-N 3.45Å
117	D	40.6	Very low	32.7	Very low	102 Å²	102	118.8 Å²	118.8	55%	0.545	58%	0.583	S	S	.	*	H	α-helix	trans	-66.8	-38.3	175.8	-98.6	1.1	0	0	0	112.2	E113 L120 N121	E113-D117 PolarHBondContact O-N 3.37Å; D117-L120 PolarHBondContact O-N 2.77Å; D117-N121 VanDerWaalsContact O-CB 3.23Å; D117-N121 WeakPolarHBondContact O-CB 3.28Å; D117-N121 PolarHBondContact O-N 2.96Å; D117-N121 PolarHBondContact O-ND2 2.8Å; D117-N121 VanDerWaalsContact O-ND2 3.09Å
118	L	38.3	Very low	32.5	Very low	108 Å²	108	116.2 Å²	116.2	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-66.1	-42.6	174.4	-149.5	93.8	0	0	0	110.7	V114 N121 L122	V114-L118 VanDerWaalsContact O-CB 3.27Å; V114-L118 WeakPolarHBondContact O-CB 3.46Å; V114-L118 PolarHBondContact O-N 3.48Å; L118-N121 PolarHBondContact O-N 2.68Å; L118-L122 HydrophobicContact CD2-CD1 3.85Å; L118-L122 HydrophobicContact CG-CD1 4.05Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 2.94Å; L118-L122 PolarHBondContact O-N 3.09Å
119	A	34.7	Very low	32.4	Very low	58 Å²	58	112.6 Å²	112.6	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-36.8	177.2	0	0	0	0	0	112.2	K115 Q116 R123	K115-A119 WeakPolarHBondContact O-CB 3.11Å; K115-A119 PolarHBondContact O-N 3.02Å; Q116-A119 PolarHBondContact O-N 3.35Å; A119-R123 WeakPolarHBondContact O-CB 3.5Å; A119-R123 PolarHBondContact O-N 3.31Å
120	L	37.5	Very low	32.2	Very low	78 Å²	78	106.8 Å²	106.8	41%	0.408	56%	0.562	S	S	.	*	H	α-helix	trans	-69.6	-41.3	173.8	-75.3	167.7	0	0	0	111.5	Q116 D117 R123 N124	Q116-L120 VanDerWaalsContact O-CB 3.29Å; Q116-L120 WeakPolarHBondContact O-CB 3.38Å; Q116-L120 WeakPolarHBondContact O-CG 3.39Å; Q116-L120 PolarHBondContact O-N 3.45Å; D117-L120 PolarHBondContact O-N 2.77Å; L120-R123 WeakPolarHBondContact O-CB 3.19Å; L120-R123 PolarHBondContact O-N 3.01Å; L120-N124 WeakPolarHBondContact O-CB 3.31Å; L120-N124 VanDerWaalsContact O-CG 3.27Å; L120-N124 PolarHBondContact O-N 3.25Å; L120-N124 PolarHBondContact O-ND2 3.38Å
121	N	38.1	Very low	31.8	Very low	85 Å²	85	107.9 Å²	107.9	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-66.8	-41.9	174.3	-83.4	-47	0	0	0	111.9	D117 L118 N124 Q125	D117-N121 VanDerWaalsContact O-CB 3.23Å; D117-N121 WeakPolarHBondContact O-CB 3.28Å; D117-N121 PolarHBondContact O-N 2.96Å; D117-N121 PolarHBondContact O-ND2 2.8Å; D117-N121 VanDerWaalsContact O-ND2 3.09Å; L118-N121 PolarHBondContact O-N 2.68Å; N121-N124 PolarHBondContact O-N 2.6Å; N121-Q125 VanDerWaalsContact O-CB 3.29Å; N121-Q125 WeakPolarHBondContact O-CB 3.06Å; N121-Q125 VanDerWaalsContact O-CG 3.28Å; N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 3.27Å
122	L	35.7	Very low	31.2	Very low	76 Å²	76	105.1 Å²	105.1	40%	0.398	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-36.5	173.9	-72.6	162.5	0	0	0	111.4	L118 N124 Q125 I126	L118-L122 HydrophobicContact CD2-CD1 3.85Å; L118-L122 HydrophobicContact CG-CD1 4.05Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.38Å; L118-L122 WeakPolarHBondContact O-CG 2.94Å; L118-L122 PolarHBondContact O-N 3.09Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 3.41Å; L122-Q125 PolarHBondContact O-N 2.64Å; L122-I126 HydrophobicContact CB-CD1 4.32Å; L122-I126 HydrophobicContact CD2-CD1 3.36Å; L122-I126 HydrophobicContact CD2-CG1 4.22Å; L122-I126 HydrophobicContact CG-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CA 3.5Å; L122-I126 VanDerWaalsContact O-CB 3.27Å; L122-I126 WeakPolarHBondContact O-CB 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.97Å
123	R	29.3	Very low	30.7	Very low	164 Å²	164	108 Å²	108	62%	0.619	57%	0.569	S	S	*	*	H	α-helix	trans	-61.8	-38	172.3	177.3	-173.5	179.9	-162.2	0.4	112	A119 L120	A119-R123 WeakPolarHBondContact O-CB 3.5Å; A119-R123 PolarHBondContact O-N 3.31Å; L120-R123 WeakPolarHBondContact O-CB 3.19Å; L120-R123 PolarHBondContact O-N 3.01Å
124	N	28.9	Very low	30.1	Very low	113 Å²	113	108.2 Å²	108.2	60%	0.604	57%	0.571	S	S	*	*	H	α-helix	trans	-79.1	-34.8	178.1	-70.9	-20.1	0	0	0	112.4	L120 N121 L122 S127	L120-N124 WeakPolarHBondContact O-CB 3.31Å; L120-N124 VanDerWaalsContact O-CG 3.27Å; L120-N124 PolarHBondContact O-N 3.25Å; L120-N124 PolarHBondContact O-ND2 3.38Å; N121-N124 PolarHBondContact O-N 2.6Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 3.41Å; N124-S127 PolarHBondContact O-OG 3.05Å
125	Q	28.3	Very low	29.5	Very low	151 Å²	151	111 Å²	111	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-88.8	-28.8	-176.7	-70.4	-179.7	-0	0	0	114.5	N121 L122	N121-Q125 VanDerWaalsContact O-CB 3.29Å; N121-Q125 WeakPolarHBondContact O-CB 3.06Å; N121-Q125 VanDerWaalsContact O-CG 3.28Å; N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 3.27Å; L122-Q125 PolarHBondContact O-N 2.64Å
126	I	26.6	Very low	29.1	Very low	116 Å²	116	109.8 Å²	109.8	60%	0.595	58%	0.581	S	S	*	*	S	Bend	trans	-112.1	36.6	-178.3	-45.1	177	0	0	0	109.1	L122 C128	L122-I126 HydrophobicContact CB-CD1 4.32Å; L122-I126 HydrophobicContact CD2-CD1 3.36Å; L122-I126 HydrophobicContact CD2-CG1 4.22Å; L122-I126 HydrophobicContact CG-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CA 3.5Å; L122-I126 VanDerWaalsContact O-CB 3.27Å; L122-I126 WeakPolarHBondContact O-CB 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.97Å; I126-C128 PolarHBondContact O-N 2.99Å
127	S	23.2	Very low	28.7	Very low	81 Å²	81	110.3 Å²	110.3	57%	0.566	60%	0.6	S	S	*	*			trans	-67.9	71.4	174.3	52	0	0	0	0	111.2	N124 I129	N124-S127 PolarHBondContact O-OG 3.05Å; S127-I129 VanDerWaalsContact C-N 3.26Å
128	C	23.5	Very low	28	Very low	120 Å²	120	112.5 Å²	112.5	81%	0.811	61%	0.605	S	S	*	*			trans	-98.3	56	146.6	-61.7	0	0	0	0	107.5	I126 N130	I126-C128 PolarHBondContact O-N 2.99Å; C128-N130 PolarHBondContact O-N 2.88Å
129	I	25.1	Very low	27.5	Very low	102 Å²	102	112.8 Å²	112.8	52%	0.523	61%	0.613	S	S	.	*			trans	-64.7	100.7	151.1	-62.1	176.5	0	0	0	103.4	S127 F131	S127-I129 VanDerWaalsContact C-N 3.26Å; I129-F131 HydrophobicContact CB-CD2 3.97Å; I129-F131 HydrophobicContact CB-CE2 3.93Å; I129-F131 HydrophobicContact CD1-CE2 4.39Å; I129-F131 HydrophobicContact CG2-CD2 3.51Å; I129-F131 HydrophobicContact CG2-CE2 3.49Å; I129-F131 VanDerWaalsContact CG2-CE2 3.49Å; I129-F131 HydrophobicContact CG2-CG 4.14Å; I129-F131 HydrophobicContact CG2-CZ 4.1Å; I129-F131 PolarHBondContact O-N 3.06Å
130	N	24.1	Very low	27	Very low	140 Å²	140	118.6 Å²	118.6	75%	0.749	62%	0.624	S	S	*	*			trans	-66	88.3	169.7	-133.3	-16.7	0	0	0	106.2	C128 G132	C128-N130 PolarHBondContact O-N 2.88Å; N130-G132 PolarHBondContact O-N 3.19Å
131	F	23.6	Very low	26.4	Very low	155 Å²	155	120.3 Å²	120.3	68%	0.68	63%	0.63	S	S	*	*			trans	-65.6	11.6	164.9	-85.7	-82.3	0	0	0	111.7	I129	I129-F131 HydrophobicContact CB-CD2 3.97Å; I129-F131 HydrophobicContact CB-CE2 3.93Å; I129-F131 HydrophobicContact CD1-CE2 4.39Å; I129-F131 HydrophobicContact CG2-CD2 3.51Å; I129-F131 HydrophobicContact CG2-CE2 3.49Å; I129-F131 VanDerWaalsContact CG2-CE2 3.49Å; I129-F131 HydrophobicContact CG2-CG 4.14Å; I129-F131 HydrophobicContact CG2-CZ 4.1Å; I129-F131 PolarHBondContact O-N 3.06Å
132	G	21.8	Very low	25.7	Very low	50 Å²	50	119.8 Å²	119.8	52%	0.515	64%	0.637	S	S	.	*	S	Bend	trans	-88.2	106.3	173.1	0	0	0	0	0	111.1	N130	N130-G132 PolarHBondContact O-N 3.19Å
133	Q	22.3	Very low	25.3	Very low	149 Å²	149	124.2 Å²	124.2	70%	0.696	65%	0.649	S	S	*	*			trans	83.5	67.1	-175.8	-53.3	-173.7	-33.6	0	0	114.1	M135	Q133-M135 VanDerWaalsContact C-N 3.33Å; Q133-M135 PolarHBondContact O-N 3.16Å
134	Q	23.1	Very low	25.2	Very low	147 Å²	147	124.2 Å²	124.2	69%	0.687	66%	0.656	S	S	*	*			trans	-54.1	97.9	155.7	-67.4	177.9	-8.9	0	0	108.9	V136	Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 HydrophobicContact CB-CG2 4.44Å; Q134-V136 PolarHBondContact O-N 3.17Å
135	M	24.8	Very low	25	Very low	144 Å²	144	127.2 Å²	127.2	71%	0.709	67%	0.671	S	S	*	*			trans	-73.7	94.5	159.1	-76.5	-170.2	75.3	0	0	106.7	Q133 A137	Q133-M135 VanDerWaalsContact C-N 3.33Å; Q133-M135 PolarHBondContact O-N 3.16Å; M135-A137 PolarHBondContact O-N 2.82Å
136	V	25.4	Very low	24.7	Very low	83 Å²	83	123.6 Å²	123.6	50%	0.503	67%	0.667	S	S	.	*			trans	-68.8	99.7	165.8	-172.3	0	0	0	0	106.7	Q134 F138	Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 HydrophobicContact CB-CG2 4.44Å; Q134-V136 PolarHBondContact O-N 3.17Å; V136-F138 HydrophobicContact CB-CD2 3.86Å; V136-F138 HydrophobicContact CB-CE2 3.68Å; V136-F138 HydrophobicContact CB-CZ 4.44Å; V136-F138 HydrophobicContact CG1-CD1 4.19Å; V136-F138 HydrophobicContact CG1-CD2 3.35Å; V136-F138 HydrophobicContact CG1-CE1 4.1Å; V136-F138 HydrophobicContact CG1-CE2 3.25Å; V136-F138 HydrophobicContact CG1-CG 3.84Å; V136-F138 HydrophobicContact CG1-CZ 3.64Å; V136-F138 HydrophobicContact CG2-CE2 4.41Å; V136-F138 PolarHBondContact O-N 3.46Å
137	A	27.2	Very low	24.6	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	68%	0.68	S	S	*	*			trans	-70.6	91	161.5	0	0	0	0	0	106.9	M135 P139	M135-A137 PolarHBondContact O-N 2.82Å; A137-P139 WeakPolarHBondContact O-CD 3.12Å
138	F	25.8	Very low	24.6	Very low	148 Å²	148	132.1 Å²	132.1	65%	0.649	69%	0.692	S	S	*	*			trans	-72.6	118.1	167.3	-79.5	-82.4	0	0	0	108.1	V136 Y140	V136-F138 HydrophobicContact CB-CD2 3.86Å; V136-F138 HydrophobicContact CB-CE2 3.68Å; V136-F138 HydrophobicContact CB-CZ 4.44Å; V136-F138 HydrophobicContact CG1-CD1 4.19Å; V136-F138 HydrophobicContact CG1-CD2 3.35Å; V136-F138 HydrophobicContact CG1-CE1 4.1Å; V136-F138 HydrophobicContact CG1-CE2 3.25Å; V136-F138 HydrophobicContact CG1-CG 3.84Å; V136-F138 HydrophobicContact CG1-CZ 3.64Å; V136-F138 HydrophobicContact CG2-CE2 4.41Å; V136-F138 PolarHBondContact O-N 3.46Å; F138-Y140 HydrophobicContact CB-CD2 4.13Å; F138-Y140 HydrophobicContact CD1-CD2 4.32Å; F138-Y140 HydrophobicContact CG-CD2 4.42Å; F138-Y140 PolarHBondContact O-N 2.75Å
139	P	27.9	Very low	24.5	Very low	113 Å²	113	131.1 Å²	131.1	73%	0.734	69%	0.686	S	S	*	*			trans	-70.4	85.2	155.7	29.9	-29.5	0	0	0	106.5	A137	A137-P139 WeakPolarHBondContact O-CD 3.12Å
140	Y	24.9	Very low	24.5	Very low	180 Å²	180	131.4 Å²	131.4	71%	0.706	69%	0.692	S	S	*	*			trans	-79.1	123.3	173.1	-128.9	-108.2	0	0	0	108.9	F138	F138-Y140 HydrophobicContact CB-CD2 4.13Å; F138-Y140 HydrophobicContact CD1-CD2 4.32Å; F138-Y140 HydrophobicContact CG-CD2 4.42Å; F138-Y140 PolarHBondContact O-N 2.75Å
141	E	24.5	Very low	24.4	Very low	114 Å²	114	131.6 Å²	131.6	53%	0.533	69%	0.689	S	S	.	*			trans	89.5	86.9	152.6	-66.7	-176.5	156.4	0	0	120.5	W143	E141-W143 VanDerWaalsContact CB-CD1 3.47Å; E141-W143 HydrophobicContact CB-CG 4.4Å; E141-W143 VanDerWaalsContact CB-NE1 3.27Å; E141-W143 VanDerWaalsContact CD-CE2 3.47Å; E141-W143 PolarHBondContact O-N 3.35Å; E141-W143 PolarHBondContact OE1-NE1 3.48Å; E141-W143 VanDerWaalsContact OE1-NE1 3.1Å; E141-W143 WeakPolarHBondContact OE2-CZ2 3.22Å; E141-W143 PolarHBondContact OE2-NE1 3.33Å
142	A	24.5	Very low	24.4	Very low	74 Å²	74	132.3 Å²	132.3	61%	0.612	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	33.9	167.2	0	0	0	0	0	115.7	P29	P29-A142 HydrophobicContact CG-CB 3.83Å
143	W	26.4	Very low	24.5	Very low	169 Å²	169	135.3 Å²	135.3	64%	0.64	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	15.8	-173.5	60.7	-92.1	0	0	0	117.5	E141	E141-W143 VanDerWaalsContact CB-CD1 3.47Å; E141-W143 HydrophobicContact CB-CG 4.4Å; E141-W143 VanDerWaalsContact CB-NE1 3.27Å; E141-W143 VanDerWaalsContact CD-CE2 3.47Å; E141-W143 PolarHBondContact O-N 3.35Å; E141-W143 PolarHBondContact OE1-NE1 3.48Å; E141-W143 VanDerWaalsContact OE1-NE1 3.1Å; E141-W143 WeakPolarHBondContact OE2-CZ2 3.22Å; E141-W143 PolarHBondContact OE2-NE1 3.33Å
144	Q	26.3	Very low	24.8	Very low	164 Å²	164	135.9 Å²	135.9	77%	0.766	71%	0.706	S	S	*	*			trans	-99.5	27.6	168.3	-80.5	-172.9	-13.1	0	0	115.1	A146	Q144-A146 PolarHBondContact O-N 3.26Å
145	L	25.1	Very low	24.9	Very low	176 Å²	176	134.7 Å²	134.7	92%	0.921	70%	0.7	S	S	*	*			trans	-71.4	65.3	156.7	-75.9	167.4	0	0	0	110
146	A	22.9	Very low	25	Very low	75 Å²	75	137.7 Å²	137.7	62%	0.62	71%	0.709	S	S	*	*	S	Bend	trans	-160.3	104.8	165.7	0	0	0	0	0	111.2	Q144	Q144-A146 PolarHBondContact O-N 3.26Å
147	Y	24.2	Very low	25.1	Very low	225 Å²	225	137.8 Å²	137.8	88%	0.882	72%	0.719	S	S	*	*			trans	70.5	113.7	149.9	-86.2	-101.3	0	0	0	120.7
148	N	22.3	Very low	25.2	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	71%	0.713	S	S	*	*			trans	7.3	149.3	141.5	-75.6	-14.4	0	0	0	119.5
149	S	22.5	Very low	25.4	Very low	99 Å²	99	141 Å²	141	69%	0.692	73%	0.725	S	S	*	*			cis	-172.5	131.3	-1.5	46.5	0	0	0	0	106.7
150	V	24.4	Very low	25.5	Very low	107 Å²	107	141.5 Å²	141.5	65%	0.648	72%	0.722	S	S	*	*			trans	-140	111.1	165.1	-164.5	0	0	0	0	109.7	Y152	V150-Y152 HydrophobicContact CG1-CE2 4.44Å
151	Q	23.3	Very low	25.8	Very low	144 Å²	144	139.7 Å²	139.7	67%	0.673	72%	0.723	S	S	*	*			trans	-61.5	129.6	177.4	-61.2	170.7	-58.9	0	0	110.9	E155	Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 PolarHBondContact NE2-OE1 2.87Å
152	Y	23.1	Very low	26.1	Very low	170 Å²	170	142.1 Å²	142.1	67%	0.667	74%	0.739	S	S	*	*			trans	-132.1	148.7	156.7	-88.6	-82.9	0	0	0	108.6	V150 L154	V150-Y152 HydrophobicContact CG1-CE2 4.44Å; Y152-L154 PolarHBondContact O-N 2.97Å
153	P	24.7	Very low	26.3	Very low	114 Å²	114	145.7 Å²	145.7	74%	0.74	74%	0.743	S	S	*	*	S	Bend	trans	-78.1	82.1	-152	31.5	-35.2	0	0	0	112.6
154	L	26.9	Very low	26.5	Very low	160 Å²	160	143.4 Å²	143.4	84%	0.838	75%	0.75	S	S	*	*			trans	-122.4	17.1	153.7	-76	167.1	0	0	0	110.6	Y152 K156	Y152-L154 PolarHBondContact O-N 2.97Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 2.57Å
155	E	24.8	Very low	26.8	Very low	123 Å²	123	139.4 Å²	139.4	58%	0.575	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	80.7	176.6	-65.7	-174.5	147	0	0	111	Q151	Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 PolarHBondContact NE2-OE1 2.87Å
156	K	27.2	Very low	27.3	Very low	207 Å²	207	137 Å²	137	90%	0.9	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.7	-1.8	154.3	-103.2	164.7	-173.5	-174.8	0	114.3	L154 E158	L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 2.57Å; K156-E158 VanDerWaalsContact C-N 3.31Å; K156-E158 PolarHBondContact O-N 3.34Å; K156-E158 VanDerWaalsContact O-N 3.09Å
157	A	28.5	Very low	27.7	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	73%	0.733	S	S	*	*	S	Bend	trans	-85.2	78.2	171.3	0	0	0	0	0	110.7
158	E	29.4	Very low	28.2	Very low	143 Å²	143	130.5 Å²	130.5	67%	0.668	71%	0.707	S	S	*	*			trans	61.8	88	147	-59	-178.4	172.6	0	0	117.7	K156 N160 L161	K156-E158 VanDerWaalsContact C-N 3.31Å; K156-E158 PolarHBondContact O-N 3.34Å; K156-E158 VanDerWaalsContact O-N 3.09Å; E158-N160 PolarHBondContact O-N 2.99Å; E158-L161 PolarHBondContact O-N 2.89Å
159	D	28.8	Very low	28.7	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	11.5	161.8	-73.6	-45	0	0	0	115.4
160	N	30.6	Very low	29.3	Very low	124 Å²	124	131.4 Å²	131.4	66%	0.663	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-4.6	177.3	-72.9	-20	0	0	0	113.8	E158 L162	E158-N160 PolarHBondContact O-N 2.99Å; N160-L162 VanDerWaalsContact C-N 3.28Å; N160-L162 PolarHBondContact O-N 2.99Å
161	L	31.5	Very low	29.8	Very low	142 Å²	142	131.4 Å²	131.4	74%	0.743	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.2	180	-77.2	163.2	0	0	0	114.6	E158	E158-L161 PolarHBondContact O-N 2.89Å
162	L	30.3	Very low	30.2	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	7.1	-176.1	-67	173.8	0	0	0	114	N160 P164	N160-L162 VanDerWaalsContact C-N 3.28Å; N160-L162 PolarHBondContact O-N 2.99Å; L162-P164 WeakPolarHBondContact O-CD 2.78Å
163	Q	29.2	Very low	30.6	Very low	148 Å²	148	125.9 Å²	125.9	69%	0.692	67%	0.674	S	S	*	*	S	Bend	trans	-77	124.5	168.4	-70.1	-163.3	2.7	0	0	109.1	D165	Q163-D165 PolarHBondContact O-N 2.84Å
164	P	31.4	Very low	31.1	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	66%	0.663	S	S	*	*			trans	-63.5	102.8	176.2	24.9	-30.7	0	0	0	108.3	L162 S166	L162-P164 WeakPolarHBondContact O-CD 2.78Å; P164-S166 PolarHBondContact O-N 3.11Å
165	D	31.9	Very low	31.3	Very low	80 Å²	80	123.3 Å²	123.3	43%	0.428	65%	0.648	S	S	.	*			trans	-69.1	93.1	167.1	-166.2	-2.2	0	0	0	107	Q163 S167 Q168	Q163-D165 PolarHBondContact O-N 2.84Å; D165-S167 PolarHBondContact O-N 2.92Å; D165-S167 VanDerWaalsContact OD1-CB 3.28Å; D165-S167 WeakPolarHBondContact OD1-CB 3.16Å; D165-S167 PolarHBondContact OD1-N 3.1Å; D165-S167 PolarHBondContact OD1-OG 3.05Å; D165-Q168 HydrophobicContact CB-CG 4.02Å; D165-Q168 PolarHBondContact O-N 2.91Å; D165-Q168 PolarHBondContact OD2-NE2 3.38Å
166	S	34.7	Very low	31.8	Very low	126 Å²	126	119.8 Å²	119.8	88%	0.881	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-3.1	175.1	57.7	0	0	0	0	114.5	P164	P164-S166 PolarHBondContact O-N 3.11Å
167	S	32.5	Very low	32	Very low	92 Å²	92	115.8 Å²	115.8	64%	0.643	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-18	174	-31.2	0	0	0	0	114.5	D165 N169	D165-S167 PolarHBondContact O-N 2.92Å; D165-S167 VanDerWaalsContact OD1-CB 3.28Å; D165-S167 WeakPolarHBondContact OD1-CB 3.16Å; D165-S167 PolarHBondContact OD1-N 3.1Å; D165-S167 PolarHBondContact OD1-OG 3.05Å; S167-N169 PolarHBondContact O-N 3.09Å
168	Q	35	Very low	32.4	Very low	71 Å²	71	115.5 Å²	115.5	33%	0.332	60%	0.601	S	S	.	*			trans	-100.2	88	-164	-66.5	-171.4	14.6	0	0	112.9	D165 E170 Y172	D165-Q168 HydrophobicContact CB-CG 4.02Å; D165-Q168 PolarHBondContact O-N 2.91Å; D165-Q168 PolarHBondContact OD2-NE2 3.38Å; Q168-E170 HydrophobicContact CB-CB 4.16Å; Q168-E170 HydrophobicContact CB-CG 3.94Å; Q168-E170 HydrophobicContact CG-CG 4.08Å; Q168-E170 PolarHBondContact O-N 3.25Å; Q168-E170 VanDerWaalsContact O-N 3.1Å; Q168-Y172 PolarHBondContact OE1-OH 2.93Å
169	N	31	Very low	32.5	Very low	146 Å²	146	111.9 Å²	111.9	78%	0.781	59%	0.589	S	S	*	*			trans	-73.3	33.6	153.5	-87	-24.9	0	0	0	111	S167	S167-N169 PolarHBondContact O-N 3.09Å
170	E	35.4	Very low	32.9	Very low	124 Å²	124	106.2 Å²	106.2	58%	0.579	56%	0.558	S	S	*	*			trans	-86.2	127.8	-167.2	-65.6	-170.9	177.3	0	0	110.8	Q168 Y172	Q168-E170 HydrophobicContact CB-CB 4.16Å; Q168-E170 HydrophobicContact CB-CG 3.94Å; Q168-E170 HydrophobicContact CG-CG 4.08Å; Q168-E170 PolarHBondContact O-N 3.25Å; Q168-E170 VanDerWaalsContact O-N 3.1Å; E170-Y172 WeakPolarHBondContact O-CD2 3.43Å; E170-Y172 WeakPolarHBondContact O-CE2 3.45Å; E170-Y172 PolarHBondContact O-N 2.76Å
171	D	34.7	Very low	32.9	Very low	106 Å²	106	105.7 Å²	105.7	57%	0.567	55%	0.546	S	S	*	.			trans	-57	107.1	173.7	-65.6	-49.7	0	0	0	109	L173	D171-L173 PolarHBondContact O-N 2.94Å
172	Y	32.4	Very low	33.3	Very low	129 Å²	129	102.5 Å²	102.5	51%	0.506	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	101	173.5	-75	-88.2	0	0	0	109.4	Q168 E170 F174	Q168-Y172 PolarHBondContact OE1-OH 2.93Å; E170-Y172 WeakPolarHBondContact O-CD2 3.43Å; E170-Y172 WeakPolarHBondContact O-CE2 3.45Å; E170-Y172 PolarHBondContact O-N 2.76Å; Y172-F174 HydrophobicContact CD1-CZ 4.43Å
173	L	32.7	Very low	33.6	Very low	70 Å²	70	100.2 Å²	100.2	37%	0.366	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.5	170.6	-164.4	101.8	0	0	0	109.3	H79 D171 I175	H79-L173 WeakPolarHBondContact NE2-CD2 3.28Å; D171-L173 PolarHBondContact O-N 2.94Å; L173-I175 HydrophobicContact CD2-CD1 3.74Å; L173-I175 HydrophobicContact CD2-CG1 3.62Å; L173-I175 HydrophobicContact CG-CG1 4.43Å
174	F	33.6	Very low	34.3	Very low	118 Å²	118	96.1 Å²	96.1	52%	0.518	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121	168.7	-61.2	-83.9	0	0	0	108.8	Y172	Y172-F174 HydrophobicContact CD1-CZ 4.43Å
175	I	32.6	Very low	35.1	Very low	101 Å²	101	96.5 Å²	96.5	52%	0.518	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108	168.4	-57.4	176.9	0	0	0	106.9	F53 L173	F53-I175 HydrophobicContact CD1-CG1 4.14Å; F53-I175 HydrophobicContact CE1-CD1 4.3Å; F53-I175 HydrophobicContact CE1-CG1 4.05Å; F53-I175 HydrophobicContact CE1-CG2 4.05Å; L173-I175 HydrophobicContact CD2-CD1 3.74Å; L173-I175 HydrophobicContact CD2-CG1 3.62Å; L173-I175 HydrophobicContact CG-CG1 4.43Å
176	L	34.1	Very low	35.5	Very low	49 Å²	49	97.1 Å²	97.1	26%	0.257	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.6	168.7	-169.9	98.1	0	0	0	109	I24 I50 N51 I52 M178	I24-L176 HydrophobicContact CD1-CD1 3.8Å; I24-L176 HydrophobicContact CD1-CD2 3.3Å; I24-L176 HydrophobicContact CD1-CG 4.08Å; I24-L176 HydrophobicContact CG1-CD1 3.79Å; I24-L176 HydrophobicContact CG1-CD2 4.11Å; I50-L176 VanDerWaalsContact O-O 3.08Å; N51-L176 VanDerWaalsContact CA-O 3.28Å; N51-L176 WeakPolarHBondContact CA-O 3.23Å; I52-L176 HydrophobicContact CB-CB 4.2Å; I52-L176 HydrophobicContact CD1-CB 4.4Å; I52-L176 HydrophobicContact CD1-CD2 3.76Å; I52-L176 HydrophobicContact CG1-CB 4.31Å; I52-L176 HydrophobicContact CG1-CD2 4.25Å; I52-L176 PolarHBondContact N-O 3.17Å; L176-M178 HydrophobicContact CD2-CG 3.65Å; L176-M178 HydrophobicContact CD2-SD 3.6Å; L176-M178 VanDerWaalsContact CD2-SD 3.6Å; L176-M178 HydrophobicContact CG-CG 4.47Å
177	K	32.8	Very low	35.8	Very low	123 Å²	123	103.7 Å²	103.7	54%	0.535	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.5	171.7	-176	179.4	-178.7	178.7	0	109.1	Q49 V179	Q49-K177 HydrophobicContact CG-CG 4.33Å; K177-V179 HydrophobicContact CG-CG2 4.42Å
178	M	35.9	Very low	36	Very low	79 Å²	79	104.3 Å²	104.3	39%	0.389	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	167.9	-70.2	162.2	42.7	0	0	109	Q49 I50 L176	Q49-M178 WeakPolarHBondContact CA-O 3.11Å; I50-M178 HydrophobicContact CB-CB 4.26Å; I50-M178 HydrophobicContact CB-CE 4.42Å; I50-M178 HydrophobicContact CB-SD 4.44Å; I50-M178 HydrophobicContact CD1-CE 3.6Å; I50-M178 PolarHBondContact N-O 3.48Å; I50-M178 VanDerWaalsContact N-O 3.12Å; I50-M178 PolarHBondContact O-N 2.88Å; L176-M178 HydrophobicContact CD2-CG 3.65Å; L176-M178 HydrophobicContact CD2-SD 3.6Å; L176-M178 VanDerWaalsContact CD2-SD 3.6Å; L176-M178 HydrophobicContact CG-CG 4.47Å
179	V	32.4	Very low	36	Very low	68 Å²	68	106 Å²	106	41%	0.412	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.2	170.5	-179.8	0	0	0	0	107.7	V20 F47 Y48 K177	V20-V179 VanDerWaalsContact CG2-O 3.28Å; V20-V179 WeakPolarHBondContact CG2-O 3.34Å; F47-V179 HydrophobicContact CD1-CG1 3.99Å; Y48-V179 CarbonylContact O-C 3.48Å; Y48-V179 VanDerWaalsContact O-CA 3.25Å; Y48-V179 WeakPolarHBondContact O-CA 3.3Å; K177-V179 HydrophobicContact CG-CG2 4.42Å
180	L	36.4	Very low	36.3	Very low	47 Å²	47	103.8 Å²	103.8	25%	0.246	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.1	173.4	-165.9	86.1	0	0	0	109.3	V20 F47 Y48	V20-L180 HydrophobicContact CG2-CD1 4.28Å; F47-L180 CarbonylContact C-O 3.48Å; F47-L180 WeakPolarHBondContact CA-O 3.2Å; Y48-L180 HydrophobicContact CD2-CB 3.9Å; Y48-L180 HydrophobicContact CD2-CD2 3.54Å; Y48-L180 HydrophobicContact CD2-CG 4.21Å; Y48-L180 HydrophobicContact CE2-CD2 4.03Å; Y48-L180 HydrophobicContact CG-CB 4.31Å; Y48-L180 HydrophobicContact CG-CD2 4.28Å; Y48-L180 PolarHBondContact N-O 3.18Å; Y48-L180 PolarHBondContact O-N 3.34Å
181	R	31.1	Very low	36.3	Very low	113 Å²	113	102.6 Å²	102.6	43%	0.426	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.4	171.8	-169.9	-174.2	178.5	-141.1	-0.4	109.1	E18 V45 N46 F47	E18-R181 IonicContact OE2-CZ 3.93Å; E18-R181 IonicContact OE2-NH1 2.95Å; E18-R181 PolarHBondContact OE2-NH1 2.88Å; V45-R181 HydrophobicContact CG1-CG 3.37Å; N46-R181 CarbonylContact O-C 3.59Å; N46-R181 WeakPolarHBondContact O-CA 2.88Å; F47-R181 HydrophobicContact CE1-CG 4.21Å
182	K	38.6	Very low	36.4	Very low	75 Å²	75	102.4 Å²	102.4	33%	0.326	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.7	174.2	179.9	179	-179.4	176.9	0	109.7	V45 N46 Y48	V45-K182 CarbonylContact C-O 3.58Å; V45-K182 VanDerWaalsContact CA-O 3.28Å; V45-K182 WeakPolarHBondContact CA-O 3.33Å; N46-K182 HydrophobicContact CB-CB 4.29Å; N46-K182 PolarHBondContact N-O 3.27Å; N46-K182 PolarHBondContact O-N 3Å; Y48-K182 HydrophobicContact CE2-CB 4.14Å; Y48-K182 HydrophobicContact CE2-CD 4.5Å
183	K	37.2	Very low	36.7	Very low	117 Å²	117	100.6 Å²	100.6	51%	0.509	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.9	175.2	-168.1	177.3	-178.9	-179.4	0	110.1	D44	D44-K183 CarbonylContact O-C 3.56Å; D44-K183 WeakPolarHBondContact O-CA 3.37Å
184	I	45	Very low	37	Very low	63 Å²	63	102.8 Å²	102.8	32%	0.323	50%	0.495	S	S	.	.			trans	-73.9	122.5	170.6	-50.7	176.8	0	0	0	107	I41 D44 N46 S186	I41-I184 HydrophobicContact CG2-CD1 4.11Å; D44-I184 HydrophobicContact CB-CB 4.24Å; D44-I184 PolarHBondContact O-N 3.1Å; N46-I184 WeakPolarHBondContact OD1-CD1 3.36Å; I184-S186 PolarHBondContact O-N 2.99Å
185	H	46.6	Very low	37.3	Very low	130 Å²	130	101.6 Å²	101.6	60%	0.602	49%	0.493	S	S	*	.			trans	-82.1	111	170.2	-77.9	42.8	0	0	0	108.1	N16	N16-H185 PolarHBondContact OD1-CE1 2.83Å
186	S	41.7	Very low	37.6	Very low	92 Å²	92	101.7 Å²	101.7	64%	0.643	49%	0.491	S	S	*	.			trans	-69.9	133.9	161	59.8	0	0	0	0	108.5	I184	I184-S186 PolarHBondContact O-N 2.99Å
187	H	40	Very low	38	Very low	264 Å²	264	106.5 Å²	106.5	100%	1.222	51%	0.512	S	S	*	.			trans	-47.5	0	178.8	-73.5	-64.8	0	0	0	114.8

Retrieved 187 of 187 residues in 41.6 ms (Link to these results)

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