A0A077YXN3_TRITR Loading...

Delta 1-pyrroline-5-carboxylate synthetase

AlphaFold DB , UniProt , Accession A0A077YXN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 85 aa.

						>A0A077YXN3_TRITR|A0A077YXN3
MDFLPTVLFRIDELTALVAMDGKFYHLDLVSVKGLPALPQSLSTRLNLFGSPWDIIKAFNVPIVDDYKFNERPLVSGHFYVHLAT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.4	Very low	39.3	Very low	233 Å²	233	92.4 Å²	92.4	100%	1.148	46%	0.455	S	S	*	.				0	107.5	0	-77.2	-177.8	-163.6	0	0	105.7	F3	M1-F3 PolarHBondContact O-N 3.07Å
2	D	36	Very low	39.4	Very low	162 Å²	162	91.1 Å²	91.1	87%	0.866	45%	0.452	S	S	*	.			trans	-76.8	110.4	175.5	-60.9	-40.7	0	0	0	107.4	L4	D2-L4 PolarHBondContact O-N 3.3Å; D2-L4 VanDerWaalsContact O-N 3.07Å
3	F	38.7	Very low	39.7	Very low	195 Å²	195	92.5 Å²	92.5	86%	0.855	46%	0.457	S	S	*	.			trans	-74.6	99.5	178.9	-143.3	-88	0	0	0	107.2	M1	M1-F3 PolarHBondContact O-N 3.07Å
4	L	33.9	Very low	40.5	Very low	69 Å²	69	89.3 Å²	89.3	36%	0.361	44%	0.442	S	S	.	.			trans	-66.4	126.5	175.4	-73.1	167.3	0	0	0	108.7	D2 T6 F49	D2-L4 PolarHBondContact O-N 3.3Å; D2-L4 VanDerWaalsContact O-N 3.07Å; L4-T6 PolarHBondContact O-N 3.1Å; L4-F49 HydrophobicContact CD2-CE1 3.86Å; L4-F49 HydrophobicContact CD2-CE2 4.16Å; L4-F49 HydrophobicContact CD2-CZ 3.51Å
5	P	38.1	Very low	40.8	Very low	34 Å²	34	84.7 Å²	84.7	22%	0.221	42%	0.421	C	S	.	.			trans	-61.4	113.6	177.4	25.7	-33.5	0	0	0	108.8	A19 M20	P5-A19 WeakPolarHBondContact CA-O 3.2Å; P5-A19 WeakPolarHBondContact CB-O 2.9Å; P5-M20 HydrophobicContact CB-CG 4.02Å
6	T	37.8	Very low	41.7	Very low	81 Å²	81	79.6 Å²	79.6	50%	0.497	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.4	173.1	-57.4	0	0	0	0	107.4	L4 A19	L4-T6 PolarHBondContact O-N 3.1Å; T6-A19 PolarHBondContact O-N 2.74Å
7	V	42.6	Very low	42.1	Very low	4 Å²	4	77 Å²	77	2%	0.024	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.8	175.2	-172.6	0	0	0	0	108.9	F9 L17 V18 L48 I55	V7-F9 HydrophobicContact CB-CD2 4.46Å; V7-F9 HydrophobicContact CB-CE2 3.8Å; V7-F9 HydrophobicContact CB-CZ 4.48Å; V7-F9 HydrophobicContact CG1-CD2 3.84Å; V7-F9 HydrophobicContact CG1-CE1 4.47Å; V7-F9 HydrophobicContact CG1-CE2 3.16Å; V7-F9 HydrophobicContact CG1-CZ 3.52Å; V7-L17 CarbonylContact C-O 3.6Å; V7-L17 WeakPolarHBondContact CA-O 3.49Å; V7-L17 WeakPolarHBondContact CG1-O 3.47Å; V7-V18 HydrophobicContact CG1-CB 4.27Å; V7-V18 HydrophobicContact CG1-CG2 3.65Å; V7-V18 HydrophobicContact CG2-CB 4.14Å; V7-V18 HydrophobicContact CG2-CG1 3.67Å; V7-V18 HydrophobicContact CG2-CG2 4.11Å; V7-L48 HydrophobicContact CB-CD1 3.54Å; V7-L48 HydrophobicContact CG1-CD1 4.35Å; V7-L48 HydrophobicContact CG2-CD1 3.39Å; V7-I55 HydrophobicContact CG1-CD1 4.3Å; V7-I55 HydrophobicContact CG2-CD1 4.25Å
8	L	45.9	Very low	42.7	Very low	61 Å²	61	73.1 Å²	73.1	32%	0.319	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.4	174.1	-162.3	92.9	0	0	0	108.1	L17	L8-L17 PolarHBondContact N-O 2.72Å; L8-L17 PolarHBondContact O-N 2.79Å
9	F	43.5	Very low	42.9	Very low	32 Å²	32	70.3 Å²	70.3	14%	0.14	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131	174.8	-74.4	-90.9	0	0	0	110.2	V7 I11 A16 L48 I55 F59	V7-F9 HydrophobicContact CB-CD2 4.46Å; V7-F9 HydrophobicContact CB-CE2 3.8Å; V7-F9 HydrophobicContact CB-CZ 4.48Å; V7-F9 HydrophobicContact CG1-CD2 3.84Å; V7-F9 HydrophobicContact CG1-CE1 4.47Å; V7-F9 HydrophobicContact CG1-CE2 3.16Å; V7-F9 HydrophobicContact CG1-CZ 3.52Å; F9-I11 HydrophobicContact CB-CG1 4.18Å; F9-A16 HydrophobicContact CD1-CB 3.42Å; F9-A16 VanDerWaalsContact CD1-CB 3.42Å; F9-A16 HydrophobicContact CE1-CB 3.24Å; F9-A16 HydrophobicContact CG-CB 4.26Å; F9-A16 HydrophobicContact CZ-CB 3.93Å; F9-L48 HydrophobicContact CE2-CD1 4.24Å; F9-I55 HydrophobicContact CD2-CG2 4.29Å; F9-I55 HydrophobicContact CE1-CG2 3.94Å; F9-I55 HydrophobicContact CE2-CB 4.37Å; F9-I55 HydrophobicContact CE2-CD1 4.06Å; F9-I55 HydrophobicContact CE2-CG2 3.26Å; F9-I55 HydrophobicContact CZ-CB 3.84Å; F9-I55 HydrophobicContact CZ-CD1 3.57Å; F9-I55 HydrophobicContact CZ-CG1 4.26Å; F9-I55 HydrophobicContact CZ-CG2 3.07Å; F9-F59 HydrophobicContact CD2-CE2 4.04Å; F9-F59 HydrophobicContact CD2-CZ 4.33Å; F9-F59 HydrophobicContact CE2-CE2 4.23Å; F9-F59 HydrophobicContact CG-CE2 4.25Å
10	R	39.7	Very low	43.1	Very low	123 Å²	123	70.5 Å²	70.5	46%	0.464	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	94.2	162.5	-147.1	-158	163.9	-175	-11.4	107.8	D12 E13 T15	R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 WeakPolarHBondContact CD-OD1 3.33Å; R10-D12 WeakPolarHBondContact CG-OD1 3.36Å; R10-D12 IonicContact CZ-OD1 3.06Å; R10-D12 IonicContact CZ-OD2 3.11Å; R10-D12 VanDerWaalsContact NE-CG 3.34Å; R10-D12 IonicContact NE-OD1 3.45Å; R10-D12 PolarHBondContact NE-OD1 2.91Å; R10-D12 IonicContact NE-OD2 2.89Å; R10-D12 PolarHBondContact NE-OD2 3.01Å; R10-D12 IonicContact NH2-OD2 2.72Å; R10-D12 PolarHBondContact NH2-OD2 3.27Å; R10-D12 PolarHBondContact O-N 3.03Å; R10-E13 IonicContact CZ-OE1 3.35Å; R10-E13 IonicContact NH1-OE1 2.74Å; R10-E13 PolarHBondContact NH1-OE1 3.17Å; R10-E13 IonicContact NH1-OE2 3.69Å; R10-E13 IonicContact NH2-OE1 3.66Å; R10-T15 CarbonylContact C-O 3.56Å; R10-T15 PolarHBondContact N-O 3.1Å; R10-T15 PolarHBondContact O-N 3.29Å
11	I	42.2	Very low	43.5	Very low	22 Å²	22	74.4 Å²	74.4	11%	0.113	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-72.9	-24.4	-169.3	-56.8	-166.5	0	0	0	112.2	F9 E13 L14 L38 L42	F9-I11 HydrophobicContact CB-CG1 4.18Å; I11-E13 PolarHBondContact O-N 3.23Å; I11-L14 PolarHBondContact O-N 3.28Å; I11-L38 HydrophobicContact CG2-CB 3.47Å; I11-L38 VanDerWaalsContact CG2-CB 3.47Å; I11-L38 HydrophobicContact CG2-CD1 3.35Å; I11-L38 HydrophobicContact CG2-CG 4.01Å; I11-L42 HydrophobicContact CD1-CB 3.65Å; I11-L42 HydrophobicContact CD1-CD1 4.08Å
12	D	39.8	Very low	44.2	Very low	77 Å²	77	67.4 Å²	67.4	41%	0.412	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.6	178.6	61.6	-14	0	0	0	113.1	R10	R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 WeakPolarHBondContact CD-OD1 3.33Å; R10-D12 WeakPolarHBondContact CG-OD1 3.36Å; R10-D12 IonicContact CZ-OD1 3.06Å; R10-D12 IonicContact CZ-OD2 3.11Å; R10-D12 VanDerWaalsContact NE-CG 3.34Å; R10-D12 IonicContact NE-OD1 3.45Å; R10-D12 PolarHBondContact NE-OD1 2.91Å; R10-D12 IonicContact NE-OD2 2.89Å; R10-D12 PolarHBondContact NE-OD2 3.01Å; R10-D12 IonicContact NH2-OD2 2.72Å; R10-D12 PolarHBondContact NH2-OD2 3.27Å; R10-D12 PolarHBondContact O-N 3.03Å
13	E	43.7	Very low	44.7	Very low	110 Å²	110	66 Å²	66	51%	0.514	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-101.3	2	179.4	-72	173.9	-169	0	0	113.1	R10 I11 T15	R10-E13 IonicContact CZ-OE1 3.35Å; R10-E13 IonicContact NH1-OE1 2.74Å; R10-E13 PolarHBondContact NH1-OE1 3.17Å; R10-E13 IonicContact NH1-OE2 3.69Å; R10-E13 IonicContact NH2-OE1 3.66Å; I11-E13 PolarHBondContact O-N 3.23Å; E13-T15 HydrophobicContact CB-CG2 4.16Å; E13-T15 WeakPolarHBondContact CB-OG1 3.43Å; E13-T15 PolarHBondContact O-N 2.85Å
14	L	50.3	Low	45.2	Very low	47 Å²	47	61.7 Å²	61.7	25%	0.246	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34.3	-169.8	-67.2	171.6	0	0	0	111.6	I11 L29 L38	I11-L14 PolarHBondContact O-N 3.28Å; L14-L29 HydrophobicContact CB-CB 3.68Å; L14-L29 WeakPolarHBondContact CB-O 3.3Å; L14-L29 HydrophobicContact CD2-CB 4.16Å; L14-L29 HydrophobicContact CD2-CD2 3.84Å; L14-L29 HydrophobicContact CG-CB 4.4Å; L14-L29 WeakPolarHBondContact O-CA 3.49Å; L14-L29 VanDerWaalsContact O-CB 3.25Å; L14-L29 WeakPolarHBondContact O-CB 3.3Å; L14-L29 PolarHBondContact O-N 3.37Å; L14-L38 HydrophobicContact CD2-CD1 3.66Å
15	T	46	Very low	45.7	Very low	21 Å²	21	61.1 Å²	61.1	13%	0.129	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.9	-179.2	54	0	0	0	0	110.5	R10 E13 H26 L27	R10-T15 CarbonylContact C-O 3.56Å; R10-T15 PolarHBondContact N-O 3.1Å; R10-T15 PolarHBondContact O-N 3.29Å; E13-T15 HydrophobicContact CB-CG2 4.16Å; E13-T15 WeakPolarHBondContact CB-OG1 3.43Å; E13-T15 PolarHBondContact O-N 2.85Å; T15-H26 VanDerWaalsContact CG2-CE1 3.47Å; T15-H26 WeakPolarHBondContact CG2-CE1 3.08Å; T15-L27 CarbonylContact C-O 3.56Å; T15-L27 VanDerWaalsContact CA-O 3.31Å; T15-L27 WeakPolarHBondContact CA-O 3.12Å
16	A	54.5	Low	46	Very low	3 Å²	3	62 Å²	62	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.9	172	0	0	0	0	0	110	F9 L27	F9-A16 HydrophobicContact CD1-CB 3.42Å; F9-A16 VanDerWaalsContact CD1-CB 3.42Å; F9-A16 HydrophobicContact CE1-CB 3.24Å; F9-A16 HydrophobicContact CG-CB 4.26Å; F9-A16 HydrophobicContact CZ-CB 3.93Å; A16-L27 HydrophobicContact CB-CB 4.06Å; A16-L27 HydrophobicContact CB-CD1 4.38Å; A16-L27 PolarHBondContact N-O 2.89Å; A16-L27 WeakPolarHBondContact O-CB 3.38Å; A16-L27 PolarHBondContact O-N 3.36Å
17	L	49.3	Very low	46.5	Very low	35 Å²	35	58.4 Å²	58.4	18%	0.183	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.6	174.7	-168.9	113.9	0	0	0	108.7	V7 L8 F24 Y25 L74	V7-L17 CarbonylContact C-O 3.6Å; V7-L17 WeakPolarHBondContact CA-O 3.49Å; V7-L17 WeakPolarHBondContact CG1-O 3.47Å; L8-L17 PolarHBondContact N-O 2.72Å; L8-L17 PolarHBondContact O-N 2.79Å; L17-F24 HydrophobicContact CD2-CD1 3.8Å; L17-F24 HydrophobicContact CD2-CE1 4.41Å; L17-Y25 WeakPolarHBondContact CA-O 3.4Å; L17-L74 HydrophobicContact CD1-CD1 3.63Å
18	V	52.6	Low	46.7	Very low	6 Å²	6	60.1 Å²	60.1	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.5	179.9	-174.8	0	0	0	0	108.7	V7 M20 F24 Y25 L27	V7-V18 HydrophobicContact CG1-CB 4.27Å; V7-V18 HydrophobicContact CG1-CG2 3.65Å; V7-V18 HydrophobicContact CG2-CB 4.14Å; V7-V18 HydrophobicContact CG2-CG1 3.67Å; V7-V18 HydrophobicContact CG2-CG2 4.11Å; V18-M20 HydrophobicContact CG1-CG 3.62Å; V18-M20 HydrophobicContact CG1-SD 3.79Å; V18-F24 CarbonylContact O-C 3.51Å; V18-F24 WeakPolarHBondContact O-CA 3.31Å; V18-Y25 PolarHBondContact N-O 3.01Å; V18-Y25 PolarHBondContact O-N 2.9Å; V18-L27 HydrophobicContact CG2-CD1 3.35Å; V18-L27 HydrophobicContact CG2-CG 4Å
19	A	47	Very low	46.7	Very low	20 Å²	20	58.4 Å²	58.4	17%	0.165	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113	165.7	0	0	0	0	0	109.5	P5 T6 K23 F24	P5-A19 WeakPolarHBondContact CA-O 3.2Å; P5-A19 WeakPolarHBondContact CB-O 2.9Å; T6-A19 PolarHBondContact O-N 2.74Å; A19-K23 CarbonylContact C-O 3.49Å; A19-K23 VanDerWaalsContact CA-O 3.3Å; A19-K23 WeakPolarHBondContact CA-O 3.21Å; A19-F24 HydrophobicContact CB-CD1 3.77Å; A19-F24 HydrophobicContact CB-CE1 3.72Å
20	M	45.3	Very low	46.6	Very low	75 Å²	75	60.3 Å²	60.3	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.9	175.6	-78.2	177.3	82.8	0	0	110.1	P5 V18 G22 K23 Y25	P5-M20 HydrophobicContact CB-CG 4.02Å; V18-M20 HydrophobicContact CG1-CG 3.62Å; V18-M20 HydrophobicContact CG1-SD 3.79Å; M20-G22 PolarHBondContact O-N 3.27Å; M20-G22 VanDerWaalsContact O-N 3.1Å; M20-K23 PolarHBondContact N-O 2.89Å; M20-K23 WeakPolarHBondContact O-CA 3.37Å; M20-K23 PolarHBondContact O-N 3.24Å; M20-K23 VanDerWaalsContact O-O 3.06Å; M20-Y25 HydrophobicContact CB-CD2 4.44Å; M20-Y25 HydrophobicContact CB-CE2 4.15Å
21	D	51.4	Low	46.5	Very low	153 Å²	153	57.4 Å²	57.4	82%	0.818	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.7	175	-57	-31.8	0	0	0	114.8	K23	D21-K23 VanDerWaalsContact C-N 3.25Å; D21-K23 PolarHBondContact O-N 3.44Å
22	G	50.2	Low	46	Very low	86 Å²	86	58.4 Å²	58.4	89%	0.887	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	9.1	-177.8	0	0	0	0	0	114.9	M20	M20-G22 PolarHBondContact O-N 3.27Å; M20-G22 VanDerWaalsContact O-N 3.1Å
23	K	46	Very low	45.6	Very low	133 Å²	133	64.8 Å²	64.8	58%	0.578	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.1	177.2	-64.5	178.3	-177.7	174.1	0	111.1	A19 M20 D21 Y25	A19-K23 CarbonylContact C-O 3.49Å; A19-K23 VanDerWaalsContact CA-O 3.3Å; A19-K23 WeakPolarHBondContact CA-O 3.21Å; M20-K23 PolarHBondContact N-O 2.89Å; M20-K23 WeakPolarHBondContact O-CA 3.37Å; M20-K23 PolarHBondContact O-N 3.24Å; M20-K23 VanDerWaalsContact O-O 3.06Å; D21-K23 VanDerWaalsContact C-N 3.25Å; D21-K23 PolarHBondContact O-N 3.44Å; K23-Y25 HydrophobicContact CB-CE2 3.79Å
24	F	49.6	Very low	45.2	Very low	103 Å²	103	63.4 Å²	63.4	45%	0.452	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.7	171.7	-61.1	-83.7	0	0	0	109.8	L17 V18 A19 L74	L17-F24 HydrophobicContact CD2-CD1 3.8Å; L17-F24 HydrophobicContact CD2-CE1 4.41Å; V18-F24 CarbonylContact O-C 3.51Å; V18-F24 WeakPolarHBondContact O-CA 3.31Å; A19-F24 HydrophobicContact CB-CD1 3.77Å; A19-F24 HydrophobicContact CB-CE1 3.72Å; F24-L74 HydrophobicContact CB-CD1 3.7Å
25	Y	44.7	Very low	44.6	Very low	58 Å²	58	63 Å²	63	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.2	177	-64.8	-92.5	0	0	0	109.5	L17 V18 M20 K23	L17-Y25 WeakPolarHBondContact CA-O 3.4Å; V18-Y25 PolarHBondContact N-O 3.01Å; V18-Y25 PolarHBondContact O-N 2.9Å; M20-Y25 HydrophobicContact CB-CD2 4.44Å; M20-Y25 HydrophobicContact CB-CE2 4.15Å; K23-Y25 HydrophobicContact CB-CE2 3.79Å
26	H	44.7	Very low	44.3	Very low	53 Å²	53	66.2 Å²	66.2	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.3	165.8	-161.4	-112.2	0	0	0	108.1	T15 D28 R72 L74	T15-H26 VanDerWaalsContact CG2-CE1 3.47Å; T15-H26 WeakPolarHBondContact CG2-CE1 3.08Å; H26-D28 IonicContact CE1-OD1 3.72Å; H26-D28 PolarHBondContact CE1-OD1 2.86Å; H26-D28 IonicContact ND1-OD1 3.01Å; H26-D28 PolarHBondContact ND1-OD1 3.04Å; H26-D28 IonicContact ND1-OD2 2.9Å; H26-D28 PolarHBondContact ND1-OD2 3.25Å; H26-R72 PolarHBondContact N-O 3.43Å; H26-L74 HydrophobicContact CB-CD1 4.2Å; H26-L74 HydrophobicContact CB-CD2 3.88Å; H26-L74 HydrophobicContact CB-CG 3.94Å
27	L	48.7	Very low	43.6	Very low	4 Å²	4	71 Å²	71	2%	0.021	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.4	172.1	-67.4	-177.9	0	0	0	107.9	T15 A16 V18 P52 F69 E71	T15-L27 CarbonylContact C-O 3.56Å; T15-L27 VanDerWaalsContact CA-O 3.31Å; T15-L27 WeakPolarHBondContact CA-O 3.12Å; A16-L27 HydrophobicContact CB-CB 4.06Å; A16-L27 HydrophobicContact CB-CD1 4.38Å; A16-L27 PolarHBondContact N-O 2.89Å; A16-L27 WeakPolarHBondContact O-CB 3.38Å; A16-L27 PolarHBondContact O-N 3.36Å; V18-L27 HydrophobicContact CG2-CD1 3.35Å; V18-L27 HydrophobicContact CG2-CG 4Å; L27-P52 HydrophobicContact CD1-CB 3.68Å; L27-P52 HydrophobicContact CD1-CG 3.69Å; L27-F69 HydrophobicContact CB-CD1 3.84Å; L27-F69 HydrophobicContact CB-CE1 4.09Å; L27-F69 HydrophobicContact CD1-CD1 3.97Å; L27-F69 HydrophobicContact CD1-CE1 3.85Å; L27-F69 HydrophobicContact CD2-CB 4.2Å; L27-F69 HydrophobicContact CD2-CD1 3.89Å; L27-F69 HydrophobicContact CD2-CG 4.36Å; L27-F69 HydrophobicContact CG-CD1 4.13Å; L27-F69 HydrophobicContact CG-CE1 4.43Å; L27-E71 HydrophobicContact CD2-CG 4.04Å
28	D	44.9	Very low	43.3	Very low	40 Å²	40	71.1 Å²	71.1	21%	0.214	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115	165.1	-62.7	-57	0	0	0	108.2	H26 V30	H26-D28 IonicContact CE1-OD1 3.72Å; H26-D28 PolarHBondContact CE1-OD1 2.86Å; H26-D28 IonicContact ND1-OD1 3.01Å; H26-D28 PolarHBondContact ND1-OD1 3.04Å; H26-D28 IonicContact ND1-OD2 2.9Å; H26-D28 PolarHBondContact ND1-OD2 3.25Å; D28-V30 PolarHBondContact O-N 2.8Å; D28-V30 VanDerWaalsContact O-N 3.15Å
29	L	46.9	Very low	42.7	Very low	26 Å²	26	74.8 Å²	74.8	14%	0.136	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	101.6	160.1	-124.7	88.6	0	0	0	106.2	L14 S31 I56 Y67 F69	L14-L29 HydrophobicContact CB-CB 3.68Å; L14-L29 WeakPolarHBondContact CB-O 3.3Å; L14-L29 HydrophobicContact CD2-CB 4.16Å; L14-L29 HydrophobicContact CD2-CD2 3.84Å; L14-L29 HydrophobicContact CG-CB 4.4Å; L14-L29 WeakPolarHBondContact O-CA 3.49Å; L14-L29 VanDerWaalsContact O-CB 3.25Å; L14-L29 WeakPolarHBondContact O-CB 3.3Å; L14-L29 PolarHBondContact O-N 3.37Å; L29-S31 PolarHBondContact O-N 2.99Å; L29-I56 HydrophobicContact CD1-CD1 4.14Å; L29-Y67 HydrophobicContact CD2-CD1 3.77Å; L29-Y67 HydrophobicContact CD2-CE1 3.4Å; L29-Y67 HydrophobicContact CG-CD1 3.96Å; L29-Y67 HydrophobicContact CG-CE1 4.08Å; L29-F69 HydrophobicContact CD1-CD1 4.33Å; L29-F69 HydrophobicContact CD1-CE1 3.54Å; L29-F69 HydrophobicContact CD1-CZ 3.9Å
30	V	41.3	Very low	42.4	Very low	71 Å²	71	82 Å²	82	43%	0.43	48%	0.475	S	S	.	.			trans	-70.6	102.2	168.3	-173.9	0	0	0	0	106.7	D28 V32	D28-V30 PolarHBondContact O-N 2.8Å; D28-V30 VanDerWaalsContact O-N 3.15Å; V30-V32 PolarHBondContact O-N 2.87Å; V30-V32 VanDerWaalsContact O-N 3.11Å
31	S	37.1	Very low	42	Very low	63 Å²	63	83.4 Å²	83.4	44%	0.441	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-51.7	119.2	172.6	-174.8	0	0	0	0	109.2	L29	L29-S31 PolarHBondContact O-N 2.99Å
32	V	32.5	Very low	41.3	Very low	42 Å²	42	79.2 Å²	79.2	26%	0.255	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-78.9	139.4	163	-175.3	0	0	0	0	106.1	V30 G34 L35 D66	V30-V32 PolarHBondContact O-N 2.87Å; V30-V32 VanDerWaalsContact O-N 3.11Å; V32-G34 PolarHBondContact O-N 2.9Å; V32-L35 WeakPolarHBondContact O-CD1 3.45Å; V32-D66 HydrophobicContact CB-CB 3.91Å; V32-D66 HydrophobicContact CG1-CB 3.65Å; V32-D66 VanDerWaalsContact CG2-C 3.43Å; V32-D66 HydrophobicContact CG2-CB 3.33Å; V32-D66 WeakPolarHBondContact CG2-O 3.25Å
33	K	30.9	Very low	40.7	Very low	212 Å²	212	79.1 Å²	79.1	92%	0.922	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	127.6	-173.5	-71.4	179.1	175.8	178.9	0	111
34	G	34.8	Very low	40.2	Very low	80 Å²	80	75.9 Å²	75.9	83%	0.825	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.9	11.1	166.4	0	0	0	0	0	117.4	V32	V32-G34 PolarHBondContact O-N 2.9Å
35	L	37.5	Very low	39.5	Very low	38 Å²	38	79.6 Å²	79.6	20%	0.199	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-83.4	142.6	178.2	-75	135.7	0	0	0	112.9	V32 P62 V64 Y67	V32-L35 WeakPolarHBondContact O-CD1 3.45Å; L35-P62 HydrophobicContact CD2-CG 4.37Å; L35-P62 WeakPolarHBondContact CD2-O 3.45Å; L35-V64 HydrophobicContact CD2-CG2 3.75Å; L35-V64 HydrophobicContact CG-CG2 4.2Å; L35-Y67 HydrophobicContact CD1-CE1 3.51Å; L35-Y67 HydrophobicContact CD1-CE2 4.04Å; L35-Y67 WeakPolarHBondContact CD1-OH 3.2Å; L35-Y67 HydrophobicContact CD2-CE2 4.14Å; L35-Y67 WeakPolarHBondContact CD2-OH 3.14Å; L35-Y67 WeakPolarHBondContact CG-OH 3.49Å
36	P	40.4	Very low	39.2	Very low	89 Å²	89	78.5 Å²	78.5	58%	0.578	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-63.4	138.5	170.5	26.7	-31.4	0	0	0	109.4	L38 P62	P36-L38 PolarHBondContact O-N 3.06Å; P36-L38 VanDerWaalsContact O-N 3.1Å; P36-P62 HydrophobicContact CG-CG 4.45Å
37	A	40.2	Very low	38.7	Very low	103 Å²	103	81.3 Å²	81.3	85%	0.851	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-49.4	119.9	175.8	0	0	0	0	0	109.6
38	L	42.6	Very low	38.2	Very low	39 Å²	39	82 Å²	82	20%	0.204	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64	149.1	176.7	-66.5	171.3	0	0	0	109.3	I11 L14 P36 Q40 V61	I11-L38 HydrophobicContact CG2-CB 3.47Å; I11-L38 VanDerWaalsContact CG2-CB 3.47Å; I11-L38 HydrophobicContact CG2-CD1 3.35Å; I11-L38 HydrophobicContact CG2-CG 4.01Å; L14-L38 HydrophobicContact CD2-CD1 3.66Å; P36-L38 PolarHBondContact O-N 3.06Å; P36-L38 VanDerWaalsContact O-N 3.1Å; L38-Q40 PolarHBondContact O-N 3.45Å; L38-Q40 VanDerWaalsContact O-N 3.11Å; L38-V61 HydrophobicContact CD2-CB 4.44Å; L38-V61 HydrophobicContact CD2-CG1 3.92Å; L38-V61 HydrophobicContact CD2-CG2 3.89Å
39	P	40.9	Very low	37.8	Very low	82 Å²	82	88.6 Å²	88.6	53%	0.532	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-56	122	173.2	-17.7	28.4	0	0	0	109.2	S41 L42	P39-S41 PolarHBondContact O-N 3.47Å; P39-L42 HydrophobicContact CB-CD1 4.34Å; P39-L42 HydrophobicContact CG-CD1 4.22Å
40	Q	40.2	Very low	37.6	Very low	171 Å²	171	89 Å²	89	80%	0.799	51%	0.514	S	S	*	.	S	Bend	trans	-61.3	-7.9	-168.4	-72.8	-179.4	-21.9	0	0	115	L38	L38-Q40 PolarHBondContact O-N 3.45Å; L38-Q40 VanDerWaalsContact O-N 3.11Å
41	S	35.9	Very low	37.8	Very low	105 Å²	105	88 Å²	88	73%	0.734	51%	0.511	S	S	*	.			trans	-144.6	85.2	-175.3	58	0	0	0	0	110.7	P39	P39-S41 PolarHBondContact O-N 3.47Å
42	L	38	Very low	38.4	Very low	66 Å²	66	86.2 Å²	86.2	35%	0.346	50%	0.497	S	S	.	.			trans	-118.4	85	162.3	-82	158.6	0	0	0	107.1	I11 P39 F59	I11-L42 HydrophobicContact CD1-CB 3.65Å; I11-L42 HydrophobicContact CD1-CD1 4.08Å; P39-L42 HydrophobicContact CB-CD1 4.34Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; L42-F59 HydrophobicContact CB-CE1 4.32Å; L42-F59 HydrophobicContact CD1-CD1 4.37Å
43	S	36.7	Very low	39.2	Very low	83 Å²	83	88.4 Å²	88.4	58%	0.58	50%	0.501	S	S	*	.			trans	-87.2	102	164.8	58.9	0	0	0	0	107.6
44	T	36.6	Very low	40.1	Very low	66 Å²	66	81.9 Å²	81.9	41%	0.405	48%	0.476	S	S	.	.			trans	-125.9	132.8	172.7	-119	0	0	0	0	108.9	L46 F59	T44-L46 HydrophobicContact CG2-CB 4.42Å; T44-L46 HydrophobicContact CG2-CD1 3.6Å; T44-L46 HydrophobicContact CG2-CD2 4.26Å; T44-L46 HydrophobicContact CG2-CG 3.4Å; T44-L46 VanDerWaalsContact CG2-CG 3.4Å; T44-L46 PolarHBondContact O-N 3.4Å; T44-F59 HydrophobicContact CG2-CE1 3.89Å; T44-F59 HydrophobicContact CG2-CZ 3.77Å
45	R	34.4	Very low	40.7	Very low	180 Å²	180	78.2 Å²	78.2	68%	0.679	44%	0.438	S	S	*	.			trans	-75.9	100.9	167	-68	-176.2	-170.9	-178.1	6.7	106.8	A84	R45-A84 PolarHBondContact NH2-O 3.24Å
46	L	39.1	Very low	41.3	Very low	36 Å²	36	76.8 Å²	76.8	19%	0.188	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.6	167.2	-74.8	142.1	0	0	0	108.9	T44 L48 I55 A58 F59	T44-L46 HydrophobicContact CG2-CB 4.42Å; T44-L46 HydrophobicContact CG2-CD1 3.6Å; T44-L46 HydrophobicContact CG2-CD2 4.26Å; T44-L46 HydrophobicContact CG2-CG 3.4Å; T44-L46 VanDerWaalsContact CG2-CG 3.4Å; T44-L46 PolarHBondContact O-N 3.4Å; L46-L48 HydrophobicContact CB-CD1 3.6Å; L46-L48 HydrophobicContact CB-CD2 3.44Å; L46-L48 VanDerWaalsContact CB-CD2 3.44Å; L46-L48 HydrophobicContact CB-CG 3.35Å; L46-L48 HydrophobicContact CD1-CD2 4.22Å; L46-L48 HydrophobicContact CD2-CD2 3.97Å; L46-L48 HydrophobicContact CG-CD2 4.07Å; L46-L48 HydrophobicContact CG-CG 4.46Å; L46-L48 PolarHBondContact O-N 3.29Å; L46-I55 HydrophobicContact CD1-CG2 3.73Å; L46-A58 HydrophobicContact CD2-CB 4.43Å; L46-F59 HydrophobicContact CD1-CD2 4.14Å; L46-F59 HydrophobicContact CD1-CE1 4.23Å; L46-F59 HydrophobicContact CD1-CE2 3.2Å; L46-F59 HydrophobicContact CD1-CZ 3.26Å; L46-F59 HydrophobicContact CG-CZ 4.48Å
47	N	32.5	Very low	41.8	Very low	112 Å²	112	79 Å²	79	60%	0.599	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	102	158.8	-72.8	-36.5	0	0	0	106.4
48	L	39.8	Very low	42.1	Very low	18 Å²	18	77.3 Å²	77.3	9%	0.094	42%	0.417	C	S	.	.			trans	-103.3	103.8	-167.6	-69.7	157.8	0	0	0	110.8	V7 F9 L46 G50 I55	V7-L48 HydrophobicContact CB-CD1 3.54Å; V7-L48 HydrophobicContact CG1-CD1 4.35Å; V7-L48 HydrophobicContact CG2-CD1 3.39Å; F9-L48 HydrophobicContact CE2-CD1 4.24Å; L46-L48 HydrophobicContact CB-CD1 3.6Å; L46-L48 HydrophobicContact CB-CD2 3.44Å; L46-L48 VanDerWaalsContact CB-CD2 3.44Å; L46-L48 HydrophobicContact CB-CG 3.35Å; L46-L48 HydrophobicContact CD1-CD2 4.22Å; L46-L48 HydrophobicContact CD2-CD2 3.97Å; L46-L48 HydrophobicContact CG-CD2 4.07Å; L46-L48 HydrophobicContact CG-CG 4.46Å; L46-L48 PolarHBondContact O-N 3.29Å; L48-G50 PolarHBondContact O-N 3.17Å; L48-I55 HydrophobicContact CB-CG1 4.5Å; L48-I55 HydrophobicContact CD1-CB 4.35Å; L48-I55 HydrophobicContact CD1-CD1 3.32Å; L48-I55 HydrophobicContact CD1-CG1 3.5Å; L48-I55 HydrophobicContact CD1-CG2 4.03Å; L48-I55 HydrophobicContact CD2-CB 4.21Å; L48-I55 HydrophobicContact CD2-CD1 4.42Å; L48-I55 HydrophobicContact CD2-CG1 3.61Å; L48-I55 HydrophobicContact CD2-CG2 4.18Å; L48-I55 HydrophobicContact CG-CD1 4.26Å; L48-I55 HydrophobicContact CG-CG1 3.99Å
49	F	35.5	Very low	42.4	Very low	178 Å²	178	77.2 Å²	77.2	78%	0.781	42%	0.415	S	S	*	.			trans	-86.2	87.9	155.7	-62.8	-83.2	0	0	0	106.9	L4	L4-F49 HydrophobicContact CD2-CE1 3.86Å; L4-F49 HydrophobicContact CD2-CE2 4.16Å; L4-F49 HydrophobicContact CD2-CZ 3.51Å
50	G	42.2	Very low	42.5	Very low	35 Å²	35	80.3 Å²	80.3	36%	0.361	43%	0.427	S	S	.	.	S	Bend	trans	165.7	168	178.3	0	0	0	0	0	115.4	L48	L48-G50 PolarHBondContact O-N 3.17Å
51	S	46.4	Very low	42.7	Very low	50 Å²	50	73 Å²	73	35%	0.35	39%	0.394	S	S	.	.			trans	-68.7	159.7	172.7	67.6	0	0	0	0	110.5	W53 D54 I55	S51-W53 PolarHBondContact O-N 3.29Å; S51-D54 PolarHBondContact N-OD2 3.24Å; S51-D54 PolarHBondContact O-N 3.27Å; S51-D54 PolarHBondContact OG-OD2 3.06Å; S51-I55 PolarHBondContact O-N 3.35Å
52	P	50.4	Low	43	Very low	25 Å²	25	71.4 Å²	71.4	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-49.5	-28.1	173.4	-29.6	36.2	0	0	0	114.9	L27 I55 I56 F69	L27-P52 HydrophobicContact CD1-CB 3.68Å; L27-P52 HydrophobicContact CD1-CG 3.69Å; P52-I55 VanDerWaalsContact O-CB 3.3Å; P52-I55 WeakPolarHBondContact O-CB 3.47Å; P52-I55 PolarHBondContact O-N 3.31Å; P52-I56 PolarHBondContact O-N 2.95Å; P52-F69 HydrophobicContact CB-CD2 4.43Å; P52-F69 HydrophobicContact CB-CE1 4.09Å; P52-F69 HydrophobicContact CB-CE2 3.9Å; P52-F69 HydrophobicContact CB-CZ 3.64Å
53	W	48.6	Very low	43.2	Very low	89 Å²	89	70.6 Å²	70.6	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-39.5	175.7	-68.5	109.5	0	0	0	114.2	S51 I55 I56 K57 I63 Y67 F69	S51-W53 PolarHBondContact O-N 3.29Å; W53-I55 PolarHBondContact O-N 3.38Å; W53-I56 HydrophobicContact CE3-CD1 3.83Å; W53-I56 HydrophobicContact CZ3-CD1 4.11Å; W53-I56 PolarHBondContact O-N 2.89Å; W53-K57 WeakPolarHBondContact O-CG 3.43Å; W53-K57 PolarHBondContact O-N 3.22Å; W53-K57 VanDerWaalsContact O-N 3.08Å; W53-I63 HydrophobicContact CE3-CD1 4.2Å; W53-I63 HydrophobicContact CE3-CG2 4.43Å; W53-I63 HydrophobicContact CZ3-CG2 3.77Å; W53-Y67 WeakPolarHBondContact CH2-O 3.41Å; W53-Y67 WeakPolarHBondContact CZ2-O 3.4Å; W53-F69 HydrophobicContact CD2-CD2 4.36Å; W53-F69 AromaticContact CD2-CE2 3.82Å; W53-F69 HydrophobicContact CD2-CE2 3.82Å; W53-F69 AromaticContact CE2-CD2 3.83Å; W53-F69 AromaticContact CE2-CE2 3.77Å; W53-F69 HydrophobicContact CE3-CE2 4.09Å; W53-F69 HydrophobicContact CG-CE2 4.33Å; W53-F69 HydrophobicContact CH2-CD2 4.49Å; W53-F69 HydrophobicContact CH2-CE2 4.36Å; W53-F69 AromaticContact CZ2-CD2 3.91Å; W53-F69 HydrophobicContact CZ2-CD2 3.91Å; W53-F69 HydrophobicContact CZ2-CE2 4.06Å; W53-F69 HydrophobicContact CZ3-CE2 4.34Å
54	D	48.6	Very low	43.4	Very low	74 Å²	74	69.7 Å²	69.7	40%	0.396	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-30.2	177	-58.8	-52.6	0	0	0	110.5	S51 A58	S51-D54 PolarHBondContact N-OD2 3.24Å; S51-D54 PolarHBondContact O-N 3.27Å; S51-D54 PolarHBondContact OG-OD2 3.06Å; D54-A58 PolarHBondContact O-N 3.06Å
55	I	49.4	Very low	43.8	Very low	3 Å²	3	74 Å²	74	2%	0.015	39%	0.388	C	S	.	.	H	α-helix	trans	-67.3	-51.1	174.9	-44.7	173.1	0	0	0	111.8	V7 F9 L46 L48 S51 P52 W53 K57 A58 F59	V7-I55 HydrophobicContact CG1-CD1 4.3Å; V7-I55 HydrophobicContact CG2-CD1 4.25Å; F9-I55 HydrophobicContact CD2-CG2 4.29Å; F9-I55 HydrophobicContact CE1-CG2 3.94Å; F9-I55 HydrophobicContact CE2-CB 4.37Å; F9-I55 HydrophobicContact CE2-CD1 4.06Å; F9-I55 HydrophobicContact CE2-CG2 3.26Å; F9-I55 HydrophobicContact CZ-CB 3.84Å; F9-I55 HydrophobicContact CZ-CD1 3.57Å; F9-I55 HydrophobicContact CZ-CG1 4.26Å; F9-I55 HydrophobicContact CZ-CG2 3.07Å; L46-I55 HydrophobicContact CD1-CG2 3.73Å; L48-I55 HydrophobicContact CB-CG1 4.5Å; L48-I55 HydrophobicContact CD1-CB 4.35Å; L48-I55 HydrophobicContact CD1-CD1 3.32Å; L48-I55 HydrophobicContact CD1-CG1 3.5Å; L48-I55 HydrophobicContact CD1-CG2 4.03Å; L48-I55 HydrophobicContact CD2-CB 4.21Å; L48-I55 HydrophobicContact CD2-CD1 4.42Å; L48-I55 HydrophobicContact CD2-CG1 3.61Å; L48-I55 HydrophobicContact CD2-CG2 4.18Å; L48-I55 HydrophobicContact CG-CD1 4.26Å; L48-I55 HydrophobicContact CG-CG1 3.99Å; S51-I55 PolarHBondContact O-N 3.35Å; P52-I55 VanDerWaalsContact O-CB 3.3Å; P52-I55 WeakPolarHBondContact O-CB 3.47Å; P52-I55 PolarHBondContact O-N 3.31Å; W53-I55 PolarHBondContact O-N 3.38Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.5Å; I55-A58 WeakPolarHBondContact O-CB 3.07Å; I55-A58 PolarHBondContact O-N 2.93Å; I55-F59 HydrophobicContact CG2-CD2 3.96Å; I55-F59 HydrophobicContact CG2-CE2 3.63Å; I55-F59 WeakPolarHBondContact O-CD2 2.9Å; I55-F59 PolarHBondContact O-N 2.73Å
56	I	49.3	Very low	44	Very low	8 Å²	8	70.3 Å²	70.3	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-59.4	-42	179.6	-60.6	163.2	0	0	0	110.3	L29 P52 W53 A58 F59 V61 I63 F69	L29-I56 HydrophobicContact CD1-CD1 4.14Å; P52-I56 PolarHBondContact O-N 2.95Å; W53-I56 HydrophobicContact CE3-CD1 3.83Å; W53-I56 HydrophobicContact CZ3-CD1 4.11Å; W53-I56 PolarHBondContact O-N 2.89Å; I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 3.11Å; I56-F59 PolarHBondContact O-N 3.15Å; I56-V61 HydrophobicContact CG2-CB 3.59Å; I56-V61 HydrophobicContact CG2-CG1 3.9Å; I56-V61 HydrophobicContact CG2-CG2 4.23Å; I56-V61 PolarHBondContact O-N 2.97Å; I56-I63 HydrophobicContact CB-CD1 4.09Å; I56-I63 HydrophobicContact CB-CG1 4.33Å; I56-I63 HydrophobicContact CG2-CD1 3.84Å; I56-I63 HydrophobicContact CG2-CG1 3.54Å; I56-F69 HydrophobicContact CD1-CE1 4.29Å; I56-F69 HydrophobicContact CD1-CE2 3.51Å; I56-F69 HydrophobicContact CD1-CZ 3.19Å; I56-F69 HydrophobicContact CG1-CZ 4Å
57	K	50.7	Low	44.1	Very low	136 Å²	136	69 Å²	69	59%	0.591	38%	0.375	S	S	*	.	H	α-helix	trans	-59.1	-41.9	174.7	-73.1	178.5	-176.8	172.3	0	111.9	W53 I55 F59 N60 I63	W53-K57 WeakPolarHBondContact O-CG 3.43Å; W53-K57 PolarHBondContact O-N 3.22Å; W53-K57 VanDerWaalsContact O-N 3.08Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.5Å; K57-F59 PolarHBondContact O-N 3.22Å; K57-N60 PolarHBondContact O-N 3.47Å; K57-I63 HydrophobicContact CG-CD1 3.6Å
58	A	46	Very low	44.5	Very low	68 Å²	68	71.2 Å²	71.2	56%	0.562	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-30.9	178.1	0	0	0	0	0	112.8	L46 D54 I55 I56 N60	L46-A58 HydrophobicContact CD2-CB 4.43Å; D54-A58 PolarHBondContact O-N 3.06Å; I55-A58 WeakPolarHBondContact O-CB 3.07Å; I55-A58 PolarHBondContact O-N 2.93Å; I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 3.11Å; A58-N60 PolarHBondContact O-N 3.32Å
59	F	48.4	Very low	44.9	Very low	37 Å²	37	72 Å²	72	16%	0.162	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.8	174.8	-73.4	-72.7	0	0	0	114.3	F9 L42 T44 L46 I55 I56 K57 V61	F9-F59 HydrophobicContact CD2-CE2 4.04Å; F9-F59 HydrophobicContact CD2-CZ 4.33Å; F9-F59 HydrophobicContact CE2-CE2 4.23Å; F9-F59 HydrophobicContact CG-CE2 4.25Å; L42-F59 HydrophobicContact CB-CE1 4.32Å; L42-F59 HydrophobicContact CD1-CD1 4.37Å; T44-F59 HydrophobicContact CG2-CE1 3.89Å; T44-F59 HydrophobicContact CG2-CZ 3.77Å; L46-F59 HydrophobicContact CD1-CD2 4.14Å; L46-F59 HydrophobicContact CD1-CE1 4.23Å; L46-F59 HydrophobicContact CD1-CE2 3.2Å; L46-F59 HydrophobicContact CD1-CZ 3.26Å; L46-F59 HydrophobicContact CG-CZ 4.48Å; I55-F59 HydrophobicContact CG2-CD2 3.96Å; I55-F59 HydrophobicContact CG2-CE2 3.63Å; I55-F59 WeakPolarHBondContact O-CD2 2.9Å; I55-F59 PolarHBondContact O-N 2.73Å; I56-F59 PolarHBondContact O-N 3.15Å; K57-F59 PolarHBondContact O-N 3.22Å; F59-V61 HydrophobicContact CB-CG2 3.79Å; F59-V61 PolarHBondContact O-N 3.05Å
60	N	42.9	Very low	45.4	Very low	146 Å²	146	66.9 Å²	66.9	78%	0.781	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	31.5	-173.5	-162	40.8	0	0	0	112.4	K57 A58	K57-N60 PolarHBondContact O-N 3.47Å; A58-N60 PolarHBondContact O-N 3.32Å
61	V	46.2	Very low	45.7	Very low	18 Å²	18	71.9 Å²	71.9	11%	0.109	38%	0.376	C	S	.	.			trans	-68.2	128.5	172.1	171.7	0	0	0	0	106.2	L38 I56 F59 I63	L38-V61 HydrophobicContact CD2-CB 4.44Å; L38-V61 HydrophobicContact CD2-CG1 3.92Å; L38-V61 HydrophobicContact CD2-CG2 3.89Å; I56-V61 HydrophobicContact CG2-CB 3.59Å; I56-V61 HydrophobicContact CG2-CG1 3.9Å; I56-V61 HydrophobicContact CG2-CG2 4.23Å; I56-V61 PolarHBondContact O-N 2.97Å; F59-V61 HydrophobicContact CB-CG2 3.79Å; F59-V61 PolarHBondContact O-N 3.05Å; V61-I63 PolarHBondContact O-N 3.45Å
62	P	41.9	Very low	45.6	Very low	71 Å²	71	76.7 Å²	76.7	46%	0.461	39%	0.386	S	S	.	.			trans	-60.6	103.3	172.1	23.3	-30.7	0	0	0	108.1	L35 P36 V64	L35-P62 HydrophobicContact CD2-CG 4.37Å; L35-P62 WeakPolarHBondContact CD2-O 3.45Å; P36-P62 HydrophobicContact CG-CG 4.45Å; P62-V64 PolarHBondContact O-N 3.05Å; P62-V64 VanDerWaalsContact O-N 3.12Å
63	I	41.7	Very low	45.1	Very low	50 Å²	50	80.1 Å²	80.1	26%	0.256	41%	0.409	S	S	.	.			trans	-73.6	103.5	171.4	-62.6	172.6	0	0	0	105.3	W53 I56 K57 V61 Y67	W53-I63 HydrophobicContact CE3-CD1 4.2Å; W53-I63 HydrophobicContact CE3-CG2 4.43Å; W53-I63 HydrophobicContact CZ3-CG2 3.77Å; I56-I63 HydrophobicContact CB-CD1 4.09Å; I56-I63 HydrophobicContact CB-CG1 4.33Å; I56-I63 HydrophobicContact CG2-CD1 3.84Å; I56-I63 HydrophobicContact CG2-CG1 3.54Å; K57-I63 HydrophobicContact CG-CD1 3.6Å; V61-I63 PolarHBondContact O-N 3.45Å; I63-Y67 HydrophobicContact CG2-CD2 4.2Å
64	V	40.1	Very low	44.6	Very low	64 Å²	64	79.4 Å²	79.4	39%	0.388	41%	0.411	S	S	.	.			trans	-73.1	128	157.3	-176.2	0	0	0	0	104.6	L35 P62 D66 Y67	L35-V64 HydrophobicContact CD2-CG2 3.75Å; L35-V64 HydrophobicContact CG-CG2 4.2Å; P62-V64 PolarHBondContact O-N 3.05Å; P62-V64 VanDerWaalsContact O-N 3.12Å; V64-D66 HydrophobicContact CG1-CB 4.46Å; V64-D66 PolarHBondContact O-N 3.08Å; V64-Y67 WeakPolarHBondContact O-CD2 3.16Å; V64-Y67 PolarHBondContact O-N 2.77Å
65	D	45.3	Very low	44.1	Very low	155 Å²	155	82.3 Å²	82.3	83%	0.829	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-7.1	-173	-75.6	-38.3	0	0	0	115.2
66	D	39.4	Very low	43.1	Very low	103 Å²	103	87.6 Å²	87.6	55%	0.551	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.8	-175.8	-70.7	-37.8	0	0	0	115.3	V32 V64 K68	V32-D66 HydrophobicContact CB-CB 3.91Å; V32-D66 HydrophobicContact CG1-CB 3.65Å; V32-D66 VanDerWaalsContact CG2-C 3.43Å; V32-D66 HydrophobicContact CG2-CB 3.33Å; V32-D66 WeakPolarHBondContact CG2-O 3.25Å; V64-D66 HydrophobicContact CG1-CB 4.46Å; V64-D66 PolarHBondContact O-N 3.08Å; D66-K68 PolarHBondContact O-N 3.1Å
67	Y	40.2	Very low	42.2	Very low	10 Å²	10	89.9 Å²	89.9	4%	0.039	49%	0.494	C	S	.	.			trans	-64.2	130.8	179.6	-72.2	-71.9	0	0	0	111.4	L29 L35 W53 I63 V64	L29-Y67 HydrophobicContact CD2-CD1 3.77Å; L29-Y67 HydrophobicContact CD2-CE1 3.4Å; L29-Y67 HydrophobicContact CG-CD1 3.96Å; L29-Y67 HydrophobicContact CG-CE1 4.08Å; L35-Y67 HydrophobicContact CD1-CE1 3.51Å; L35-Y67 HydrophobicContact CD1-CE2 4.04Å; L35-Y67 WeakPolarHBondContact CD1-OH 3.2Å; L35-Y67 HydrophobicContact CD2-CE2 4.14Å; L35-Y67 WeakPolarHBondContact CD2-OH 3.14Å; L35-Y67 WeakPolarHBondContact CG-OH 3.49Å; W53-Y67 WeakPolarHBondContact CH2-O 3.41Å; W53-Y67 WeakPolarHBondContact CZ2-O 3.4Å; I63-Y67 HydrophobicContact CG2-CD2 4.2Å; V64-Y67 WeakPolarHBondContact O-CD2 3.16Å; V64-Y67 PolarHBondContact O-N 2.77Å
68	K	41.3	Very low	41	Very low	158 Å²	158	92.8 Å²	92.8	69%	0.687	51%	0.509	S	S	*	.			trans	-118	125.7	170.8	-67.2	-175.1	-178.6	-179	0	108.9	D66	D66-K68 PolarHBondContact O-N 3.1Å
69	F	49.1	Very low	40.4	Very low	35 Å²	35	95.5 Å²	95.5	15%	0.154	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.8	167.1	-73.8	-76.5	0	0	0	109.1	L27 L29 P52 W53 I56	L27-F69 HydrophobicContact CB-CD1 3.84Å; L27-F69 HydrophobicContact CB-CE1 4.09Å; L27-F69 HydrophobicContact CD1-CD1 3.97Å; L27-F69 HydrophobicContact CD1-CE1 3.85Å; L27-F69 HydrophobicContact CD2-CB 4.2Å; L27-F69 HydrophobicContact CD2-CD1 3.89Å; L27-F69 HydrophobicContact CD2-CG 4.36Å; L27-F69 HydrophobicContact CG-CD1 4.13Å; L27-F69 HydrophobicContact CG-CE1 4.43Å; L29-F69 HydrophobicContact CD1-CD1 4.33Å; L29-F69 HydrophobicContact CD1-CE1 3.54Å; L29-F69 HydrophobicContact CD1-CZ 3.9Å; P52-F69 HydrophobicContact CB-CD2 4.43Å; P52-F69 HydrophobicContact CB-CE1 4.09Å; P52-F69 HydrophobicContact CB-CE2 3.9Å; P52-F69 HydrophobicContact CB-CZ 3.64Å; W53-F69 HydrophobicContact CD2-CD2 4.36Å; W53-F69 AromaticContact CD2-CE2 3.82Å; W53-F69 HydrophobicContact CD2-CE2 3.82Å; W53-F69 AromaticContact CE2-CD2 3.83Å; W53-F69 AromaticContact CE2-CE2 3.77Å; W53-F69 HydrophobicContact CE3-CE2 4.09Å; W53-F69 HydrophobicContact CG-CE2 4.33Å; W53-F69 HydrophobicContact CH2-CD2 4.49Å; W53-F69 HydrophobicContact CH2-CE2 4.36Å; W53-F69 AromaticContact CZ2-CD2 3.91Å; W53-F69 HydrophobicContact CZ2-CD2 3.91Å; W53-F69 HydrophobicContact CZ2-CE2 4.06Å; W53-F69 HydrophobicContact CZ3-CE2 4.34Å; I56-F69 HydrophobicContact CD1-CE1 4.29Å; I56-F69 HydrophobicContact CD1-CE2 3.51Å; I56-F69 HydrophobicContact CD1-CZ 3.19Å; I56-F69 HydrophobicContact CG1-CZ 4Å
70	N	45.4	Very low	39.5	Very low	69 Å²	69	103.4 Å²	103.4	37%	0.369	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	105.5	163	-72.1	-44	0	0	0	107.9	R72	N70-R72 PolarHBondContact O-N 2.97Å
71	E	47.7	Very low	38.8	Very low	140 Å²	140	100.4 Å²	100.4	65%	0.654	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.1	168.7	-67.6	179.2	-170.3	0	0	108.6	L27	L27-E71 HydrophobicContact CD2-CG 4.04Å
72	R	44.9	Very low	37.9	Very low	151 Å²	151	107 Å²	107	57%	0.57	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	170.1	-68.6	-179.2	179.3	172.8	1.9	109.3	H26 N70 L74	H26-R72 PolarHBondContact N-O 3.43Å; N70-R72 PolarHBondContact O-N 2.97Å; R72-L74 PolarHBondContact O-N 3.11Å
73	P	39.3	Very low	37.1	Very low	98 Å²	98	109.8 Å²	109.8	64%	0.636	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.9	127.1	167.1	24	-29.3	0	0	0	108.4	V75	P73-V75 PolarHBondContact O-N 3.12Å
74	L	38.7	Very low	36.4	Very low	73 Å²	73	109.1 Å²	109.1	38%	0.382	57%	0.568	S	S	.	*			trans	-71.1	112.9	177.9	-81.2	159.2	0	0	0	109.3	L17 F24 H26 R72	L17-L74 HydrophobicContact CD1-CD1 3.63Å; F24-L74 HydrophobicContact CB-CD1 3.7Å; H26-L74 HydrophobicContact CB-CD1 4.2Å; H26-L74 HydrophobicContact CB-CD2 3.88Å; H26-L74 HydrophobicContact CB-CG 3.94Å; R72-L74 PolarHBondContact O-N 3.11Å
75	V	37.6	Very low	35.9	Very low	136 Å²	136	116 Å²	116	82%	0.824	61%	0.61	S	S	*	*			trans	-88.7	-30.4	-177.5	-168	0	0	0	0	111.8	P73	P73-V75 PolarHBondContact O-N 3.12Å
76	S	29.3	Very low	35.4	Very low	113 Å²	113	114.1 Å²	114.1	79%	0.79	60%	0.599	S	S	*	*	S	Bend	trans	-175.9	142	165.1	55.9	0	0	0	0	109.3
77	G	29.8	Very low	35.2	Very low	56 Å²	56	114.6 Å²	114.6	58%	0.577	60%	0.601	S	S	*	*			trans	-177.7	137.6	176.9	0	0	0	0	0	110.4
78	H	25.8	Very low	34.9	Very low	198 Å²	198	120.4 Å²	120.4	92%	0.917	63%	0.633	S	S	*	*			trans	-77.2	129.9	169.7	-60.9	141.9	0	0	0	108.5
79	F	33	Very low	34.6	Very low	125 Å²	125	118.2 Å²	118.2	55%	0.548	63%	0.629	S	S	.	*			trans	-112.5	145.2	178.7	55.3	-89.7	0	0	0	111	V81	F79-V81 HydrophobicContact CD2-CG2 3.42Å; F79-V81 VanDerWaalsContact CD2-CG2 3.42Å; F79-V81 HydrophobicContact CE2-CG2 3.34Å
80	Y	29.2	Very low	33.6	Very low	203 Å²	203	123.4 Å²	123.4	80%	0.796	66%	0.659	S	S	*	*			trans	-94.3	106.4	169.2	-66.9	-84.6	0	0	0	108.4	H82	Y80-H82 PolarHBondContact O-N 2.82Å
81	V	29	Very low	32.9	Very low	83 Å²	83	127.1 Å²	127.1	50%	0.503	68%	0.679	S	S	.	*			trans	-77.7	103.2	166.3	-174.1	0	0	0	0	107.2	F79 L83	F79-V81 HydrophobicContact CD2-CG2 3.42Å; F79-V81 VanDerWaalsContact CD2-CG2 3.42Å; F79-V81 HydrophobicContact CE2-CG2 3.34Å; V81-L83 HydrophobicContact CG1-CG 4.32Å; V81-L83 PolarHBondContact O-N 3.32Å
82	H	27	Very low	31.8	Very low	155 Å²	155	126.1 Å²	126.1	72%	0.718	68%	0.68	S	S	*	*			trans	-76.5	101	162.9	-107	-97.4	0	0	0	108.2	Y80 A84	Y80-H82 PolarHBondContact O-N 2.82Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 2.75Å
83	L	24.9	Very low	30.8	Very low	130 Å²	130	124.2 Å²	124.2	68%	0.681	69%	0.689	S	S	*	*			trans	-67.4	96.3	165.1	-77.2	161.5	0	0	0	107.1	V81 T85	V81-L83 HydrophobicContact CG1-CG 4.32Å; V81-L83 PolarHBondContact O-N 3.32Å; L83-T85 PolarHBondContact O-N 3.32Å; L83-T85 VanDerWaalsContact O-N 3.1Å
84	A	27.7	Very low	30.1	Very low	37 Å²	37	126.4 Å²	126.4	31%	0.306	69%	0.693	S	S	.	*			trans	-60	115	163.9	0	0	0	0	0	107.7	R45 H82	R45-A84 PolarHBondContact NH2-O 3.24Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 2.75Å
85	T	29.2	Very low	29.3	Very low	208 Å²	208	131.3 Å²	131.3	100%	1.276	72%	0.721	S	S	*	*			trans	-79.8	0	166.1	47	0	0	0	0	110.2	L83	L83-T85 PolarHBondContact O-N 3.32Å; L83-T85 VanDerWaalsContact O-N 3.1Å

Retrieved 85 of 85 residues in 254.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).