A0A5K4F6Z1_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F6Z1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 aa.

						>A0A5K4F6Z1_SCHMA|A0A5K4F6Z1
MNTVLFLSVVSCLICSMVIPNVEGYGYWFGVDDEQQIVVPMRVVRFAQGYLVCMCITSRVDQVQTLPPPLSICPFCVNSRRIQS
					

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	45.8	Very low	47	Very low	217 Å²	217	83.9 Å²	83.9	100%	1.069	45%	0.453	S	S	*	.				0	120.4	0	-83.5	166.6	73	0	0	107.3	T3	M1-T3 PolarHBondContact O-N 3.02Å
2	N	47.4	Very low	47.3	Very low	111 Å²	111	77.6 Å²	77.6	59%	0.594	42%	0.419	S	S	*	.			trans	-61.4	131.7	-177.3	-103.6	-21.6	0	0	0	110.4	V4 L5 F6	N2-V4 PolarHBondContact O-N 3.21Å; N2-V4 VanDerWaalsContact O-N 3.08Å; N2-L5 HydrophobicContact CB-CB 4.48Å; N2-L5 WeakPolarHBondContact O-CA 3.34Å; N2-L5 VanDerWaalsContact O-CB 3.24Å; N2-L5 WeakPolarHBondContact O-CB 3.22Å; N2-L5 PolarHBondContact O-N 3.19Å; N2-F6 PolarHBondContact O-N 3.09Å
3	T	47.8	Very low	47.6	Very low	102 Å²	102	78.1 Å²	78.1	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-52.7	-31.2	178.8	-35.5	0	0	0	0	112.3	M1 F6 L7	M1-T3 PolarHBondContact O-N 3.02Å; T3-F6 WeakPolarHBondContact O-CB 3.17Å; T3-F6 PolarHBondContact O-N 2.84Å; T3-L7 WeakPolarHBondContact O-CG 3.39Å; T3-L7 PolarHBondContact O-N 3.08Å
4	V	41.5	Very low	48.2	Very low	24 Å²	24	78.4 Å²	78.4	15%	0.145	42%	0.421	C	S	.	.	H	α-helix	trans	-60.2	-45.5	173.9	175.2	0	0	0	0	112	N2 F6 L7 S8 V31	N2-V4 PolarHBondContact O-N 3.21Å; N2-V4 VanDerWaalsContact O-N 3.08Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.93Å; V4-L7 PolarHBondContact O-N 3.16Å; V4-S8 PolarHBondContact O-N 3.05Å; V4-S8 PolarHBondContact O-OG 2.56Å; V4-S8 VanDerWaalsContact O-OG 3.13Å; V4-V31 HydrophobicContact CG1-CB 4.43Å; V4-V31 HydrophobicContact CG1-CG1 3.86Å
5	L	42.1	Very low	48.4	Very low	79 Å²	79	73.6 Å²	73.6	41%	0.414	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-36.2	179.1	-134	145.3	0	0	0	110.7	N2 V9 F75	N2-L5 HydrophobicContact CB-CB 4.48Å; N2-L5 WeakPolarHBondContact O-CA 3.34Å; N2-L5 VanDerWaalsContact O-CB 3.24Å; N2-L5 WeakPolarHBondContact O-CB 3.22Å; N2-L5 PolarHBondContact O-N 3.19Å; L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 2.68Å; L5-F75 HydrophobicContact CD1-CZ 4.47Å; L5-F75 HydrophobicContact CD2-CZ 3.75Å; L5-F75 HydrophobicContact CG-CE1 4.1Å; L5-F75 HydrophobicContact CG-CZ 3.79Å
6	F	45.5	Very low	48.4	Very low	129 Å²	129	70.6 Å²	70.6	57%	0.566	38%	0.382	S	S	*	.	H	α-helix	trans	-67.7	-46.9	175	-177.5	-98	0	0	0	112.2	N2 T3 V4 S8 V9 V10	N2-F6 PolarHBondContact O-N 3.09Å; T3-F6 WeakPolarHBondContact O-CB 3.17Å; T3-F6 PolarHBondContact O-N 2.84Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.93Å; F6-S8 PolarHBondContact O-N 2.83Å; F6-V9 PolarHBondContact O-N 3.36Å; F6-V10 HydrophobicContact CD1-CG2 4.18Å; F6-V10 HydrophobicContact CE1-CG2 3.8Å; F6-V10 HydrophobicContact CE2-CG2 4.34Å; F6-V10 HydrophobicContact CZ-CG2 3.89Å; F6-V10 WeakPolarHBondContact O-CG2 3.39Å; F6-V10 PolarHBondContact O-N 3.3Å
7	L	47.4	Very low	48.4	Very low	91 Å²	91	74.5 Å²	74.5	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-63.2	-41.5	179.4	-76.8	164.5	0	0	0	112.1	T3 V4 V9 V10 S11	T3-L7 WeakPolarHBondContact O-CG 3.39Å; T3-L7 PolarHBondContact O-N 3.08Å; V4-L7 PolarHBondContact O-N 3.16Å; L7-V9 PolarHBondContact O-N 3.08Å; L7-V10 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 PolarHBondContact O-OG 2.01Å
8	S	45.3	Very low	48.5	Very low	16 Å²	16	74.5 Å²	74.5	11%	0.112	40%	0.402	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176	-62.7	0	0	0	0	112.2	V4 F6 C12	V4-S8 PolarHBondContact O-N 3.05Å; V4-S8 PolarHBondContact O-OG 2.56Å; V4-S8 VanDerWaalsContact O-OG 3.13Å; F6-S8 PolarHBondContact O-N 2.83Å; S8-C12 WeakPolarHBondContact O-CB 3.05Å; S8-C12 PolarHBondContact O-N 2.96Å; S8-C12 VanDerWaalsContact O-N 3.17Å; S8-C12 PolarHBondContact O-SG 3.34Å
9	V	48.8	Very low	48.4	Very low	57 Å²	57	71.2 Å²	71.2	35%	0.345	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-41.3	176.3	170.8	0	0	0	0	111.5	L5 F6 L7 C12 L13 P74	L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 2.68Å; F6-V9 PolarHBondContact O-N 3.36Å; L7-V9 PolarHBondContact O-N 3.08Å; V9-C12 PolarHBondContact O-N 3.48Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 PolarHBondContact O-N 3.48Å; V9-P74 HydrophobicContact CG2-CB 4.35Å
10	V	52.9	Low	48.2	Very low	50 Å²	50	71.2 Å²	71.2	30%	0.303	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-47.7	177.8	171.8	0	0	0	0	111.5	F6 L7 C12 L13 I14	F6-V10 HydrophobicContact CD1-CG2 4.18Å; F6-V10 HydrophobicContact CE1-CG2 3.8Å; F6-V10 HydrophobicContact CE2-CG2 4.34Å; F6-V10 HydrophobicContact CZ-CG2 3.89Å; F6-V10 WeakPolarHBondContact O-CG2 3.39Å; F6-V10 PolarHBondContact O-N 3.3Å; L7-V10 PolarHBondContact O-N 3.21Å; V10-C12 PolarHBondContact O-N 3Å; V10-L13 PolarHBondContact O-N 3.05Å; V10-I14 HydrophobicContact CG1-CD1 3.83Å; V10-I14 HydrophobicContact CG1-CG1 4.5Å; V10-I14 WeakPolarHBondContact O-CG1 2.87Å; V10-I14 PolarHBondContact O-N 3.36Å
11	S	52.4	Low	48	Very low	47 Å²	47	75.1 Å²	75.1	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-58.9	-32.3	177.5	-68.9	0	0	0	0	112.3	L7 C15	L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 PolarHBondContact O-OG 2.01Å; S11-C15 PolarHBondContact O-N 3.23Å; S11-C15 PolarHBondContact O-SG 3.15Å
12	C	51	Low	47.7	Very low	8 Å²	8	68 Å²	68	5%	0.054	38%	0.377	C	S	.	.	H	α-helix	trans	-74.3	-44.7	176.6	-72.5	0	0	0	0	113.8	S8 V9 V10 I14 C15 S16 I72 C73	S8-C12 WeakPolarHBondContact O-CB 3.05Å; S8-C12 PolarHBondContact O-N 2.96Å; S8-C12 VanDerWaalsContact O-N 3.17Å; S8-C12 PolarHBondContact O-SG 3.34Å; V9-C12 PolarHBondContact O-N 3.48Å; V10-C12 PolarHBondContact O-N 3Å; C12-I14 PolarHBondContact O-N 2.93Å; C12-C15 CarbonylContact O-C 3.59Å; C12-C15 WeakPolarHBondContact O-CB 3.24Å; C12-C15 PolarHBondContact O-N 3.36Å; C12-C15 VanDerWaalsContact O-N 3.08Å; C12-S16 PolarHBondContact O-N 3.1Å; C12-S16 PolarHBondContact O-OG 3.08Å; C12-I72 HydrophobicContact CB-CG2 4.15Å; C12-I72 WeakPolarHBondContact CB-O 3.4Å; C12-I72 WeakPolarHBondContact O-CG2 3.22Å; C12-C73 PolarHBondContact SG-O 3.03Å
13	L	51.1	Low	47.3	Very low	84 Å²	84	71.7 Å²	71.7	44%	0.44	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-38.9	173	-84.5	159.1	0	0	0	111.3	V9 V10 S16 M17	V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 PolarHBondContact O-N 3.48Å; V10-L13 PolarHBondContact O-N 3.05Å; L13-S16 PolarHBondContact O-OG 2.87Å; L13-S16 VanDerWaalsContact O-OG 3.05Å; L13-M17 HydrophobicContact CD2-CE 3.91Å; L13-M17 WeakPolarHBondContact O-CB 3.47Å; L13-M17 VanDerWaalsContact O-CG 3.23Å; L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.44Å; L13-M17 VanDerWaalsContact O-N 3.1Å
14	I	55.5	Low	46.9	Very low	82 Å²	82	68.9 Å²	68.9	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-45.7	174.1	-65.4	166.6	0	0	0	110.1	V10 C12 S16 M17 V18	V10-I14 HydrophobicContact CG1-CD1 3.83Å; V10-I14 HydrophobicContact CG1-CG1 4.5Å; V10-I14 WeakPolarHBondContact O-CG1 2.87Å; V10-I14 PolarHBondContact O-N 3.36Å; C12-I14 PolarHBondContact O-N 2.93Å; I14-S16 PolarHBondContact O-N 3.17Å; I14-M17 PolarHBondContact O-N 3.08Å; I14-V18 HydrophobicContact CG2-CG2 4.12Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.17Å
15	C	51.3	Low	47	Very low	7 Å²	7	73.6 Å²	73.6	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-59.1	-45.4	177.1	-75.1	0	0	0	0	112.4	S11 C12 M17 I19	S11-C15 PolarHBondContact O-N 3.23Å; S11-C15 PolarHBondContact O-SG 3.15Å; C12-C15 CarbonylContact O-C 3.59Å; C12-C15 WeakPolarHBondContact O-CB 3.24Å; C12-C15 PolarHBondContact O-N 3.36Å; C12-C15 VanDerWaalsContact O-N 3.08Å; C15-M17 PolarHBondContact O-N 3.48Å; C15-I19 HydrophobicContact CB-CD1 3.91Å; C15-I19 WeakPolarHBondContact O-CB 3.21Å; C15-I19 WeakPolarHBondContact O-CD1 3.39Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.77Å; C15-I19 VanDerWaalsContact O-N 3.08Å
16	S	49	Very low	47.2	Very low	25 Å²	25	70.7 Å²	70.7	18%	0.175	39%	0.387	C	S	.	.	H	α-helix	trans	-68.3	-34.6	178.2	48.3	0	0	0	0	114.9	C12 L13 I14 P20 I72	C12-S16 PolarHBondContact O-N 3.1Å; C12-S16 PolarHBondContact O-OG 3.08Å; L13-S16 PolarHBondContact O-OG 2.87Å; L13-S16 VanDerWaalsContact O-OG 3.05Å; I14-S16 PolarHBondContact O-N 3.17Å; S16-P20 WeakPolarHBondContact O-CD 3.41Å; S16-I72 WeakPolarHBondContact OG-CG2 3.1Å
17	M	49	Very low	47.1	Very low	138 Å²	138	71.6 Å²	71.6	68%	0.68	39%	0.388	S	S	*	.	H	α-helix	trans	-76.4	-30	-178	-71	-174	-167.3	0	0	112.2	L13 I14 C15 P20	L13-M17 HydrophobicContact CD2-CE 3.91Å; L13-M17 WeakPolarHBondContact O-CB 3.47Å; L13-M17 VanDerWaalsContact O-CG 3.23Å; L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.44Å; L13-M17 VanDerWaalsContact O-N 3.1Å; I14-M17 PolarHBondContact O-N 3.08Å; C15-M17 PolarHBondContact O-N 3.48Å; M17-P20 VanDerWaalsContact C-CD 3.48Å; M17-P20 WeakPolarHBondContact O-CD 2.91Å
18	V	48.8	Very low	47.5	Very low	74 Å²	74	71.4 Å²	71.4	45%	0.448	38%	0.381	S	S	.	.	H	α-helix	trans	-88.4	-29.7	-178.8	-178.9	0	0	0	0	112.2	I14 P20	I14-V18 HydrophobicContact CG2-CG2 4.12Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.17Å; V18-P20 WeakPolarHBondContact O-CD 3.37Å
19	I	47.4	Very low	47.7	Very low	12 Å²	12	77.4 Å²	77.4	6%	0.062	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7.9	-175.4	-53	165.4	0	0	0	116.3	C15 N21 V22 V43 R45 L51	C15-I19 HydrophobicContact CB-CD1 3.91Å; C15-I19 WeakPolarHBondContact O-CB 3.21Å; C15-I19 WeakPolarHBondContact O-CD1 3.39Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.77Å; C15-I19 VanDerWaalsContact O-N 3.08Å; I19-N21 PolarHBondContact O-N 3.02Å; I19-N21 VanDerWaalsContact O-N 3.17Å; I19-V22 HydrophobicContact CG2-CB 4.42Å; I19-V43 HydrophobicContact CD1-CB 4.38Å; I19-V43 HydrophobicContact CD1-CG1 3.69Å; I19-R45 PolarHBondContact O-NH1 2.01Å; I19-L51 HydrophobicContact CB-CD1 4.44Å; I19-L51 HydrophobicContact CB-CD2 4.3Å; I19-L51 HydrophobicContact CG2-CD1 4.48Å; I19-L51 HydrophobicContact CG2-CD2 3.49Å; I19-L51 VanDerWaalsContact CG2-CD2 3.49Å
20	P	45.1	Very low	48	Very low	70 Å²	70	75 Å²	75	46%	0.455	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33	168.6	-22.5	33.5	0	0	0	112	S16 M17 V18 R45	S16-P20 WeakPolarHBondContact O-CD 3.41Å; M17-P20 VanDerWaalsContact C-CD 3.48Å; M17-P20 WeakPolarHBondContact O-CD 2.91Å; V18-P20 WeakPolarHBondContact O-CD 3.37Å; P20-R45 PolarHBondContact O-NH1 3.34Å; P20-R45 VanDerWaalsContact O-NH1 3.08Å
21	N	43	Very low	48	Very low	154 Å²	154	74 Å²	74	82%	0.824	39%	0.386	S	S	*	.	S	Bend	trans	-112.5	0.8	-170.4	-66.7	-25.6	0	0	0	115.4	I19	I19-N21 PolarHBondContact O-N 3.02Å; I19-N21 VanDerWaalsContact O-N 3.17Å
22	V	39	Very low	48.2	Very low	67 Å²	67	72.6 Å²	72.6	41%	0.406	37%	0.374	S	S	.	.			trans	-98.4	97.9	-179.6	-173	0	0	0	0	108.9	I19 G24	I19-V22 HydrophobicContact CG2-CB 4.42Å; V22-G24 PolarHBondContact O-N 3.31Å
23	E	39.1	Very low	48.3	Very low	189 Å²	189	77 Å²	77	88%	0.883	40%	0.398	S	S	*	.			trans	-76.9	95.5	161.2	-73.7	-171.7	153.8	0	0	107.9
24	G	40.5	Very low	48.5	Very low	43 Å²	43	80.3 Å²	80.3	44%	0.443	41%	0.411	S	S	.	.	S	Bend	trans	162.3	171.9	175.6	0	0	0	0	0	116.7	V22	V22-G24 PolarHBondContact O-N 3.31Å
25	Y	42.7	Very low	48.6	Very low	124 Å²	124	81.5 Å²	81.5	49%	0.486	42%	0.415	S	S	.	.			trans	-75.5	119.7	176.5	-128.2	-74.9	0	0	0	109.8	R42 V44	Y25-R42 HydrophobicContact CD1-CG 4.26Å; Y25-R42 HydrophobicContact CE1-CB 4.02Å; Y25-R42 HydrophobicContact CE1-CG 3.61Å; Y25-R42 PolarHBondContact OH-NH1 3.31Å; Y25-V44 HydrophobicContact CD1-CG2 4.4Å; Y25-V44 HydrophobicContact CD2-CG2 4.36Å; Y25-V44 HydrophobicContact CE1-CG2 3.8Å; Y25-V44 HydrophobicContact CE2-CG2 3.82Å
26	G	45.6	Very low	48.9	Very low	17 Å²	17	86.5 Å²	86.5	18%	0.175	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136	175.4	0	0	0	0	0	112.1	R42 V43	G26-R42 WeakPolarHBondContact O-CA 3.4Å; G26-V43 PolarHBondContact N-O 3.31Å; G26-V43 PolarHBondContact O-N 3.08Å
27	Y	44.3	Very low	49	Very low	149 Å²	149	89 Å²	89	58%	0.584	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.7	166.4	-69	-87	0	0	0	108.9	M41 R42 I56	Y27-M41 CarbonylContact C-O 3.51Å; Y27-M41 WeakPolarHBondContact CA-O 2.96Å; Y27-R42 HydrophobicContact CD1-CG 3.94Å; Y27-R42 HydrophobicContact CE1-CG 3.76Å; Y27-R42 PolarHBondContact OH-NE 3.48Å; Y27-R42 PolarHBondContact OH-NH2 2.88Å; Y27-I56 HydrophobicContact CE1-CD1 4.29Å
28	W	55.7	Low	49.4	Very low	87 Å²	87	87.2 Å²	87.2	33%	0.33	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-172.9	-178.6	-65.7	90.6	0	0	0	109.3	P40 M41 V43	W28-P40 CarbonylContact O-C 3.56Å; W28-P40 VanDerWaalsContact O-CA 3.32Å; W28-P40 WeakPolarHBondContact O-CA 3.45Å; W28-M41 HydrophobicContact CB-CB 4.24Å; W28-M41 PolarHBondContact N-O 3.33Å; W28-M41 PolarHBondContact O-N 3.06Å; W28-V43 HydrophobicContact CB-CG2 4.45Å; W28-V43 HydrophobicContact CG-CG2 4.15Å
29	F	49.8	Very low	49.8	Very low	142 Å²	142	84.1 Å²	84.1	62%	0.623	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.3	179.3	-63.5	-76.9	0	0	0	109.6	V38 V39	F29-V38 HydrophobicContact CB-CG1 3.63Å; F29-V38 HydrophobicContact CD1-CG1 3.94Å; F29-V38 HydrophobicContact CG-CG1 4.1Å; F29-V39 CarbonylContact C-O 3.56Å; F29-V39 WeakPolarHBondContact CA-O 2.98Å
30	G	55.5	Low	50.1	Low	6 Å²	6	86.3 Å²	86.3	6%	0.062	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-179.2	169.3	0	0	0	0	0	111.3	V38 V39	G30-V38 CarbonylContact O-C 3.38Å; G30-V38 WeakPolarHBondContact O-CA 3.12Å; G30-V39 PolarHBondContact N-O 3.37Å; G30-V39 PolarHBondContact O-N 3.38Å
31	V	51.3	Low	50.8	Low	29 Å²	29	83.5 Å²	83.5	18%	0.176	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128	175.1	-173	0	0	0	0	109	V4 I37	V4-V31 HydrophobicContact CG1-CB 4.43Å; V4-V31 HydrophobicContact CG1-CG1 3.86Å; V31-I37 WeakPolarHBondContact CA-O 2.98Å
32	D	57.4	Low	51.4	Low	17 Å²	17	79.7 Å²	79.7	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116	170	-174.7	-45.2	0	0	0	108.3	E34 Q35 Q36 I37 V39	D32-E34 PolarHBondContact OD1-N 2.7Å; D32-Q35 HydrophobicContact CB-CB 4.37Å; D32-Q35 PolarHBondContact OD1-N 2.77Å; D32-Q36 WeakPolarHBondContact O-CA 3.21Å; D32-Q36 PolarHBondContact O-N 3.21Å; D32-I37 HydrophobicContact CB-CG1 4.02Å; D32-I37 PolarHBondContact N-O 3.12Å; D32-V39 HydrophobicContact CB-CG1 3.95Å; D32-V39 HydrophobicContact CB-CG2 4.39Å
33	D	53.2	Low	52.2	Low	102 Å²	102	76.7 Å²	76.7	55%	0.545	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-29.8	-173.7	-164.2	37	0	0	0	112.7
34	E	55.1	Low	52.7	Low	152 Å²	152	69.2 Å²	69.2	71%	0.71	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-41.7	177.5	-68.7	-173.3	167.3	0	0	111.1	D32	D32-E34 PolarHBondContact OD1-N 2.7Å
35	Q	58.2	Low	53.1	Low	108 Å²	108	71.1 Å²	71.1	51%	0.505	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.9	-175.3	-64.6	-166.6	7.9	0	0	113.7	D32 I37	D32-Q35 HydrophobicContact CB-CB 4.37Å; D32-Q35 PolarHBondContact OD1-N 2.77Å; Q35-I37 HydrophobicContact CB-CD1 4.08Å; Q35-I37 HydrophobicContact CB-CG1 3.77Å; Q35-I37 HydrophobicContact CB-CG2 4.36Å; Q35-I37 WeakPolarHBondContact O-CG2 3.35Å; Q35-I37 PolarHBondContact O-N 3.02Å; Q35-I37 VanDerWaalsContact OE1-CD1 3.28Å
36	Q	57.6	Low	53.4	Low	112 Å²	112	73.4 Å²	73.4	52%	0.523	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.7	-174.9	-58.5	-97.2	-56.5	0	0	112.7	D32	D32-Q36 WeakPolarHBondContact O-CA 3.21Å; D32-Q36 PolarHBondContact O-N 3.21Å
37	I	51.5	Low	53.4	Low	77 Å²	77	74.8 Å²	74.8	40%	0.395	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.9	-179.1	63.1	173.9	0	0	0	111.7	V31 D32 Q35 V39	V31-I37 WeakPolarHBondContact CA-O 2.98Å; D32-I37 HydrophobicContact CB-CG1 4.02Å; D32-I37 PolarHBondContact N-O 3.12Å; Q35-I37 HydrophobicContact CB-CD1 4.08Å; Q35-I37 HydrophobicContact CB-CG1 3.77Å; Q35-I37 HydrophobicContact CB-CG2 4.36Å; Q35-I37 WeakPolarHBondContact O-CG2 3.35Å; Q35-I37 PolarHBondContact O-N 3.02Å; Q35-I37 VanDerWaalsContact OE1-CD1 3.28Å; I37-V39 HydrophobicContact CD1-CG1 4.14Å; I37-V39 HydrophobicContact CG1-CG1 3.96Å
38	V	55.8	Low	53.8	Low	101 Å²	101	76.4 Å²	76.4	61%	0.612	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.6	172	-178.2	0	0	0	0	109.2	F29 G30	F29-V38 HydrophobicContact CB-CG1 3.63Å; F29-V38 HydrophobicContact CD1-CG1 3.94Å; F29-V38 HydrophobicContact CG-CG1 4.1Å; G30-V38 CarbonylContact O-C 3.38Å; G30-V38 WeakPolarHBondContact O-CA 3.12Å
39	V	58.2	Low	53.4	Low	8 Å²	8	74.3 Å²	74.3	5%	0.048	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.6	-177.8	-67.5	0	0	0	0	111.1	F29 G30 D32 I37 M41 C55 T57	F29-V39 CarbonylContact C-O 3.56Å; F29-V39 WeakPolarHBondContact CA-O 2.98Å; G30-V39 PolarHBondContact N-O 3.37Å; G30-V39 PolarHBondContact O-N 3.38Å; D32-V39 HydrophobicContact CB-CG1 3.95Å; D32-V39 HydrophobicContact CB-CG2 4.39Å; I37-V39 HydrophobicContact CD1-CG1 4.14Å; I37-V39 HydrophobicContact CG1-CG1 3.96Å; V39-M41 PolarHBondContact O-N 2.86Å; V39-C55 HydrophobicContact CG2-CB 3.73Å; V39-T57 HydrophobicContact CB-CG2 4.42Å; V39-T57 HydrophobicContact CG1-CG2 4.21Å; V39-T57 HydrophobicContact CG2-CG2 4.23Å
40	P	54.2	Low	53.3	Low	58 Å²	58	72.3 Å²	72.3	38%	0.377	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.4	175.3	23	-28.4	0	0	0	110.4	W28 I56	W28-P40 CarbonylContact O-C 3.56Å; W28-P40 VanDerWaalsContact O-CA 3.32Å; W28-P40 WeakPolarHBondContact O-CA 3.45Å; P40-I56 HydrophobicContact CG-CB 4.37Å; P40-I56 PolarHBondContact O-N 3.27Å
41	M	60.1	Low	53	Low	12 Å²	12	73.1 Å²	73.1	6%	0.059	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.5	179.6	178.3	-171.3	-85.5	0	0	109.2	Y27 W28 V39 V43 C53 M54 C76	Y27-M41 CarbonylContact C-O 3.51Å; Y27-M41 WeakPolarHBondContact CA-O 2.96Å; W28-M41 HydrophobicContact CB-CB 4.24Å; W28-M41 PolarHBondContact N-O 3.33Å; W28-M41 PolarHBondContact O-N 3.06Å; V39-M41 PolarHBondContact O-N 2.86Å; M41-V43 HydrophobicContact CG-CG2 4.2Å; M41-V43 HydrophobicContact SD-CG2 4.11Å; M41-C53 HydrophobicContact CE-CB 4.1Å; M41-C53 HydrophobicContact CG-CB 3.88Å; M41-C53 HydrophobicContact SD-CB 3.55Å; M41-C53 VanDerWaalsContact SD-CB 3.55Å; M41-M54 CarbonylContact C-O 3.6Å; M41-M54 WeakPolarHBondContact CA-O 3.47Å; M41-C76 WeakPolarHBondContact CE-SG 3.47Å
42	R	55.5	Low	53.1	Low	73 Å²	73	71.9 Å²	71.9	28%	0.275	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.7	167	-88	176.4	150.5	-159.8	-7.5	109.4	Y25 G26 Y27 C53 M54 I56	Y25-R42 HydrophobicContact CD1-CG 4.26Å; Y25-R42 HydrophobicContact CE1-CB 4.02Å; Y25-R42 HydrophobicContact CE1-CG 3.61Å; Y25-R42 PolarHBondContact OH-NH1 3.31Å; G26-R42 WeakPolarHBondContact O-CA 3.4Å; Y27-R42 HydrophobicContact CD1-CG 3.94Å; Y27-R42 HydrophobicContact CE1-CG 3.76Å; Y27-R42 PolarHBondContact OH-NE 3.48Å; Y27-R42 PolarHBondContact OH-NH2 2.88Å; R42-C53 CarbonylContact O-C 3.48Å; R42-C53 WeakPolarHBondContact O-CA 3.48Å; R42-M54 HydrophobicContact CB-CB 4.44Å; R42-M54 PolarHBondContact N-O 2.98Å; R42-M54 PolarHBondContact O-N 3.31Å; R42-I56 HydrophobicContact CG-CD1 4Å; R42-I56 HydrophobicContact CG-CG1 4.47Å
43	V	54	Low	53	Low	5 Å²	5	71.8 Å²	71.8	3%	0.03	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.6	171.9	-172.7	0	0	0	0	108.5	I19 G26 W28 M41 L51 V52 C53	I19-V43 HydrophobicContact CD1-CB 4.38Å; I19-V43 HydrophobicContact CD1-CG1 3.69Å; G26-V43 PolarHBondContact N-O 3.31Å; G26-V43 PolarHBondContact O-N 3.08Å; W28-V43 HydrophobicContact CB-CG2 4.45Å; W28-V43 HydrophobicContact CG-CG2 4.15Å; M41-V43 HydrophobicContact CG-CG2 4.2Å; M41-V43 HydrophobicContact SD-CG2 4.11Å; V43-L51 HydrophobicContact CG1-CD2 4.44Å; V43-V52 CarbonylContact C-O 3.57Å; V43-V52 WeakPolarHBondContact CA-O 3.2Å; V43-C53 HydrophobicContact CG2-CB 4.07Å
44	V	50.4	Low	52.9	Low	31 Å²	31	68 Å²	68	19%	0.188	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	-177.8	-173.2	0	0	0	0	108.6	Y25 V52 M54	Y25-V44 HydrophobicContact CD1-CG2 4.4Å; Y25-V44 HydrophobicContact CD2-CG2 4.36Å; Y25-V44 HydrophobicContact CE1-CG2 3.8Å; Y25-V44 HydrophobicContact CE2-CG2 3.82Å; V44-V52 PolarHBondContact N-O 2.99Å; V44-V52 PolarHBondContact O-N 3.13Å; V44-M54 HydrophobicContact CB-CE 3.95Å; V44-M54 HydrophobicContact CG2-CE 3.32Å
45	R	49.8	Very low	52.7	Low	84 Å²	84	61.3 Å²	61.3	32%	0.317	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.1	174.7	-166.4	175.5	-171	170.2	3.3	108.6	I19 P20 L51	I19-R45 PolarHBondContact O-NH1 2.01Å; P20-R45 PolarHBondContact O-NH1 3.34Å; P20-R45 VanDerWaalsContact O-NH1 3.08Å; R45-L51 HydrophobicContact CB-CD2 4.17Å; R45-L51 HydrophobicContact CG-CD2 4.11Å
46	F	47.5	Very low	52.3	Low	171 Å²	171	59.3 Å²	59.3	75%	0.75	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	-27.2	-176.3	-156	-92.9	0	0	0	112.3	Y50 V52	F46-Y50 PolarHBondContact N-O 3.29Å; F46-V52 HydrophobicContact CB-CG2 4.48Å
47	A	46.9	Very low	51.8	Low	47 Å²	47	55.4 Å²	55.4	39%	0.388	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	168.9	175.8	0	0	0	0	0	110.9	G49 Y50	A47-G49 PolarHBondContact O-N 2.95Å; A47-Y50 HydrophobicContact CB-CD2 4.12Å; A47-Y50 PolarHBondContact O-N 3.4Å; A47-Y50 VanDerWaalsContact O-N 3.09Å
48	Q	51.5	Low	51.4	Low	182 Å²	182	56.9 Å²	56.9	85%	0.85	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	114.9	168.2	-101.5	180	-5	0	0	109.6
49	G	47.4	Very low	50.7	Low	43 Å²	43	61 Å²	61	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-6	178.8	0	0	0	0	0	116	A47	A47-G49 PolarHBondContact O-N 2.95Å
50	Y	49.2	Very low	49.8	Very low	100 Å²	100	65.5 Å²	65.5	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.8	-178.9	-66.9	-91.7	0	0	0	111.1	F46 A47 P68	F46-Y50 PolarHBondContact N-O 3.29Å; A47-Y50 HydrophobicContact CB-CD2 4.12Å; A47-Y50 PolarHBondContact O-N 3.4Å; A47-Y50 VanDerWaalsContact O-N 3.09Å; Y50-P68 HydrophobicContact CD1-CG 4.42Å; Y50-P68 HydrophobicContact CE1-CG 3.92Å; Y50-P68 HydrophobicContact CE2-CG 4.49Å
51	L	49.3	Very low	49.1	Very low	23 Å²	23	68.5 Å²	68.5	12%	0.12	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.5	172.6	-67.1	167.3	0	0	0	108.8	I19 V43 R45 S71	I19-L51 HydrophobicContact CB-CD1 4.44Å; I19-L51 HydrophobicContact CB-CD2 4.3Å; I19-L51 HydrophobicContact CG2-CD1 4.48Å; I19-L51 HydrophobicContact CG2-CD2 3.49Å; I19-L51 VanDerWaalsContact CG2-CD2 3.49Å; V43-L51 HydrophobicContact CG1-CD2 4.44Å; R45-L51 HydrophobicContact CB-CD2 4.17Å; R45-L51 HydrophobicContact CG-CD2 4.11Å; L51-S71 VanDerWaalsContact O-O 3.08Å
52	V	53.2	Low	47.9	Very low	3 Å²	3	70 Å²	70	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.5	170.1	176.7	0	0	0	0	107	V43 V44 F46 M54 V63 T65	V43-V52 CarbonylContact C-O 3.57Å; V43-V52 WeakPolarHBondContact CA-O 3.2Å; V44-V52 PolarHBondContact N-O 2.99Å; V44-V52 PolarHBondContact O-N 3.13Å; F46-V52 HydrophobicContact CB-CG2 4.48Å; V52-M54 HydrophobicContact CG1-CE 4.49Å; V52-M54 HydrophobicContact CG1-CG 4.02Å; V52-V63 HydrophobicContact CG1-CB 4.14Å; V52-V63 HydrophobicContact CG1-CG1 3.6Å; V52-V63 HydrophobicContact CG1-CG2 4.25Å; V52-V63 HydrophobicContact CG2-CG1 4.24Å; V52-T65 HydrophobicContact CG2-CG2 4.2Å
53	C	54.4	Low	47.1	Very low	15 Å²	15	70.9 Å²	70.9	10%	0.101	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.5	169	-38.9	0	0	0	0	109.7	M41 R42 V43 C73	M41-C53 HydrophobicContact CE-CB 4.1Å; M41-C53 HydrophobicContact CG-CB 3.88Å; M41-C53 HydrophobicContact SD-CB 3.55Å; M41-C53 VanDerWaalsContact SD-CB 3.55Å; R42-C53 CarbonylContact O-C 3.48Å; R42-C53 WeakPolarHBondContact O-CA 3.48Å; V43-C53 HydrophobicContact CG2-CB 4.07Å; C53-C73 VanDerWaalsContact CA-SG 3.59Å; C53-C73 HydrophobicContact CB-CB 3.58Å; C53-C73 WeakPolarHBondContact CB-SG 3.35Å; C53-C73 PolarHBondContact N-SG 3.02Å; C53-C73 WeakPolarHBondContact SG-CB 3.4Å; C53-C73 CovalentContact SG-SG 2.01Å; C53-C73 PolarHBondContact SG-SG 2.78Å
54	M	51.3	Low	46.2	Very low	23 Å²	23	75.3 Å²	75.3	11%	0.113	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.3	-177.4	-59.4	179.4	-105.5	0	0	107.8	M41 R42 V44 V52 Q62 V63	M41-M54 CarbonylContact C-O 3.6Å; M41-M54 WeakPolarHBondContact CA-O 3.47Å; R42-M54 HydrophobicContact CB-CB 4.44Å; R42-M54 PolarHBondContact N-O 2.98Å; R42-M54 PolarHBondContact O-N 3.31Å; V44-M54 HydrophobicContact CB-CE 3.95Å; V44-M54 HydrophobicContact CG2-CE 3.32Å; V52-M54 HydrophobicContact CG1-CE 4.49Å; V52-M54 HydrophobicContact CG1-CG 4.02Å; M54-Q62 WeakPolarHBondContact CG-O 3.48Å; M54-V63 HydrophobicContact CE-CG2 4.23Å; M54-V63 HydrophobicContact CG-CG2 3.95Å; M54-V63 HydrophobicContact SD-CG2 3.37Å; M54-V63 WeakPolarHBondContact SD-CG2 3.49Å
55	C	49.8	Very low	45.6	Very low	11 Å²	11	78.4 Å²	78.4	7%	0.074	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.2	168.9	-71.9	0	0	0	0	109.8	V39 T57 C76	V39-C55 HydrophobicContact CG2-CB 3.73Å; C55-T57 HydrophobicContact CB-CG2 4.12Å; C55-T57 PolarHBondContact O-N 3.48Å; C55-C76 HydrophobicContact CB-CB 3.52Å; C55-C76 WeakPolarHBondContact CB-SG 3.45Å; C55-C76 PolarHBondContact N-SG 2.77Å; C55-C76 WeakPolarHBondContact SG-CB 3.32Å; C55-C76 CovalentContact SG-SG 2.01Å; C55-C76 PolarHBondContact SG-SG 3.35Å
56	I	50.7	Low	44.8	Very low	66 Å²	66	77 Å²	77	34%	0.338	41%	0.41	S	S	.	.			trans	-84.8	90.4	170.9	-47.7	177.1	0	0	0	106.8	Y27 P40 R42	Y27-I56 HydrophobicContact CE1-CD1 4.29Å; P40-I56 HydrophobicContact CG-CB 4.37Å; P40-I56 PolarHBondContact O-N 3.27Å; R42-I56 HydrophobicContact CG-CD1 4Å; R42-I56 HydrophobicContact CG-CG1 4.47Å
57	T	48.2	Very low	44.1	Very low	30 Å²	30	73 Å²	73	18%	0.184	40%	0.4	C	S	.	.			trans	-94.7	170.6	169	72.8	0	0	0	0	109.3	V39 C55 R59	V39-T57 HydrophobicContact CB-CG2 4.42Å; V39-T57 HydrophobicContact CG1-CG2 4.21Å; V39-T57 HydrophobicContact CG2-CG2 4.23Å; C55-T57 HydrophobicContact CB-CG2 4.12Å; C55-T57 PolarHBondContact O-N 3.48Å; T57-R59 PolarHBondContact O-N 3.35Å; T57-R59 PolarHBondContact OG1-N 2.94Å; T57-R59 PolarHBondContact OG1-O 2.97Å; T57-R59 VanDerWaalsContact OG1-O 3.12Å
58	S	43.1	Very low	43.7	Very low	109 Å²	109	73.9 Å²	73.9	76%	0.762	40%	0.403	S	S	*	.	S	Bend	trans	-62.5	-6.3	175.8	60.3	0	0	0	0	113.9
59	R	39.7	Very low	43.2	Very low	187 Å²	187	70.5 Å²	70.5	71%	0.706	40%	0.396	S	S	*	.	S	Bend	trans	-135	96.3	177.4	-67.1	-175.7	175.5	-179.3	-0.4	110.2	T57	T57-R59 PolarHBondContact O-N 3.35Å; T57-R59 PolarHBondContact OG1-N 2.94Å; T57-R59 PolarHBondContact OG1-O 2.97Å; T57-R59 VanDerWaalsContact OG1-O 3.12Å
60	V	40.8	Very low	42.6	Very low	102 Å²	102	74 Å²	74	62%	0.618	40%	0.404	S	S	*	.			trans	79.7	127.8	151.6	-173.2	0	0	0	0	118.2
61	D	37.7	Very low	42	Very low	121 Å²	121	69.6 Å²	69.6	65%	0.647	39%	0.388	S	S	*	.			trans	-61.4	122.6	165.8	-65.2	-67.9	0	0	0	112.2
62	Q	36.7	Very low	41.4	Very low	45 Å²	45	71.1 Å²	71.1	21%	0.21	40%	0.396	C	S	.	.			trans	-133.5	115.4	-179	-78.6	-101.7	-55.3	0	0	110.6	M54 V77 S79	M54-Q62 WeakPolarHBondContact CG-O 3.48Å; Q62-V77 PolarHBondContact OE1-O 2.79Å; Q62-V77 VanDerWaalsContact OE1-O 3.08Å; Q62-S79 VanDerWaalsContact CD-O 3.32Å; Q62-S79 PolarHBondContact NE2-O 2.72Å; Q62-S79 PolarHBondContact NE2-OG 2.98Å; Q62-S79 VanDerWaalsContact OE1-CA 3.24Å; Q62-S79 PolarHBondContact OE1-OG 3.2Å
63	V	38.6	Very low	40.5	Very low	91 Å²	91	71.5 Å²	71.5	55%	0.552	40%	0.398	S	S	*	.			trans	-100.6	112.4	175.4	169.3	0	0	0	0	107.8	V52 M54	V52-V63 HydrophobicContact CG1-CB 4.14Å; V52-V63 HydrophobicContact CG1-CG1 3.6Å; V52-V63 HydrophobicContact CG1-CG2 4.25Å; V52-V63 HydrophobicContact CG2-CG1 4.24Å; M54-V63 HydrophobicContact CE-CG2 4.23Å; M54-V63 HydrophobicContact CG-CG2 3.95Å; M54-V63 HydrophobicContact SD-CG2 3.37Å; M54-V63 WeakPolarHBondContact SD-CG2 3.49Å
64	Q	35.2	Very low	39.6	Very low	97 Å²	97	72.5 Å²	72.5	45%	0.453	41%	0.405	S	S	.	.			trans	-106.8	117.3	169.3	-132.2	-178.2	16.9	0	0	109.7
65	T	36	Very low	38.8	Very low	97 Å²	97	75.6 Å²	75.6	60%	0.595	42%	0.418	S	S	*	.			trans	-89.3	103.4	171.7	3	0	0	0	0	108.5	V52	V52-T65 HydrophobicContact CG2-CG2 4.2Å
66	L	33.5	Very low	38.3	Very low	55 Å²	55	77 Å²	77	29%	0.288	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-91.2	143.9	172.9	-79.5	161	0	0	0	110	L70 S71	L66-L70 WeakPolarHBondContact CB-O 3.34Å; L66-L70 WeakPolarHBondContact CD1-O 3.32Å; L66-S71 WeakPolarHBondContact O-CB 3.21Å
67	P	33.6	Very low	37.5	Very low	85 Å²	85	77.5 Å²	77.5	55%	0.552	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-70.6	143.5	175	26.7	-31.2	0	0	0	111.3	L70 S71	P67-L70 CarbonylContact O-C 3.54Å; P67-L70 PolarHBondContact O-N 3.2Å; P67-S71 PolarHBondContact O-N 3.24Å
68	P	38.7	Very low	36.5	Very low	67 Å²	67	79.9 Å²	79.9	44%	0.435	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	138.2	173.3	-18.3	30	0	0	0	110.5	Y50	Y50-P68 HydrophobicContact CD1-CG 4.42Å; Y50-P68 HydrophobicContact CE1-CG 3.92Å; Y50-P68 HydrophobicContact CE2-CG 4.49Å
69	P	40.4	Very low	36	Very low	111 Å²	111	77.6 Å²	77.6	72%	0.721	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.9	6.5	12.1	38.6	-34.3	0	0	0	114	S71	P69-S71 VanDerWaalsContact C-N 3.31Å
70	L	35.2	Very low	35.3	Very low	115 Å²	115	80.3 Å²	80.3	60%	0.602	44%	0.439	S	S	*	.	S	Bend	trans	-89.8	2.8	-179	-67.3	168.2	0	0	0	112.5	L66 P67 I72	L66-L70 WeakPolarHBondContact CB-O 3.34Å; L66-L70 WeakPolarHBondContact CD1-O 3.32Å; P67-L70 CarbonylContact O-C 3.54Å; P67-L70 PolarHBondContact O-N 3.2Å; L70-I72 PolarHBondContact O-N 2.98Å
71	S	35	Very low	34.7	Very low	9 Å²	9	85 Å²	85	6%	0.063	45%	0.446	C	S	.	.			trans	-62.3	3.7	173.1	54.2	0	0	0	0	114.6	L51 L66 P67 P69	L51-S71 VanDerWaalsContact O-O 3.08Å; L66-S71 WeakPolarHBondContact O-CB 3.21Å; P67-S71 PolarHBondContact O-N 3.24Å; P69-S71 VanDerWaalsContact C-N 3.31Å
72	I	37	Very low	34.1	Very low	54 Å²	54	87.3 Å²	87.3	28%	0.277	46%	0.456	S	S	.	.	S	Bend	trans	-106.8	61.3	-179.4	-53.6	157.8	0	0	0	108.3	C12 S16 L70 P74	C12-I72 HydrophobicContact CB-CG2 4.15Å; C12-I72 WeakPolarHBondContact CB-O 3.4Å; C12-I72 WeakPolarHBondContact O-CG2 3.22Å; S16-I72 WeakPolarHBondContact OG-CG2 3.1Å; L70-I72 PolarHBondContact O-N 2.98Å; I72-P74 WeakPolarHBondContact O-CD 3.34Å; I72-P74 VanDerWaalsContact O-N 3.13Å
73	C	35.9	Very low	33.4	Very low	11 Å²	11	92.5 Å²	92.5	7%	0.074	48%	0.48	C	S	.	.			trans	39	39.9	150.9	-59.4	0	0	0	0	124.1	C12 C53 F75	C12-C73 PolarHBondContact SG-O 3.03Å; C53-C73 VanDerWaalsContact CA-SG 3.59Å; C53-C73 HydrophobicContact CB-CB 3.58Å; C53-C73 WeakPolarHBondContact CB-SG 3.35Å; C53-C73 PolarHBondContact N-SG 3.02Å; C53-C73 WeakPolarHBondContact SG-CB 3.4Å; C53-C73 CovalentContact SG-SG 2.01Å; C53-C73 PolarHBondContact SG-SG 2.78Å; C73-F75 PolarHBondContact O-N 2.88Å
74	P	35.6	Very low	32.9	Very low	36 Å²	36	96.7 Å²	96.7	23%	0.234	51%	0.514	C	S	.	.	S	Bend	trans	-70.1	-4.7	-176.1	29.6	-28.5	0	0	0	115.2	V9 I72	V9-P74 HydrophobicContact CG2-CB 4.35Å; I72-P74 WeakPolarHBondContact O-CD 3.34Å; I72-P74 VanDerWaalsContact O-N 3.13Å
75	F	34.3	Very low	32.8	Very low	89 Å²	89	96.7 Å²	96.7	39%	0.39	52%	0.517	S	S	.	.			trans	-145.9	125.9	176.3	-64.2	-82.5	0	0	0	113.7	L5 C73 V77	L5-F75 HydrophobicContact CD1-CZ 4.47Å; L5-F75 HydrophobicContact CD2-CZ 3.75Å; L5-F75 HydrophobicContact CG-CE1 4.1Å; L5-F75 HydrophobicContact CG-CZ 3.79Å; C73-F75 PolarHBondContact O-N 2.88Å; F75-V77 VanDerWaalsContact C-N 3.35Å; F75-V77 HydrophobicContact CB-CG2 3.53Å; F75-V77 PolarHBondContact O-N 2.82Å; F75-V77 VanDerWaalsContact O-N 3.16Å
76	C	39.5	Very low	32.7	Very low	39 Å²	39	96.7 Å²	96.7	26%	0.264	51%	0.513	S	S	.	.			trans	-74.8	92.1	155.7	-75	0	0	0	0	107.8	M41 C55	M41-C76 WeakPolarHBondContact CE-SG 3.47Å; C55-C76 HydrophobicContact CB-CB 3.52Å; C55-C76 WeakPolarHBondContact CB-SG 3.45Å; C55-C76 PolarHBondContact N-SG 2.77Å; C55-C76 WeakPolarHBondContact SG-CB 3.32Å; C55-C76 CovalentContact SG-SG 2.01Å; C55-C76 PolarHBondContact SG-SG 3.35Å
77	V	31.9	Very low	32.6	Very low	78 Å²	78	99 Å²	99	47%	0.473	53%	0.525	S	S	.	.			trans	-91.6	122.3	177.8	-167.4	0	0	0	0	108.8	Q62 F75 S79	Q62-V77 PolarHBondContact OE1-O 2.79Å; Q62-V77 VanDerWaalsContact OE1-O 3.08Å; F75-V77 VanDerWaalsContact C-N 3.35Å; F75-V77 HydrophobicContact CB-CG2 3.53Å; F75-V77 PolarHBondContact O-N 2.82Å; F75-V77 VanDerWaalsContact O-N 3.16Å; V77-S79 PolarHBondContact O-N 2.72Å
78	N	28	Very low	32.5	Very low	80 Å²	80	99.8 Å²	99.8	43%	0.428	52%	0.524	S	S	.	.			trans	-72.6	109.9	175.3	-154.7	-9.2	0	0	0	109.1
79	S	33.6	Very low	32.2	Very low	60 Å²	60	101.9 Å²	101.9	42%	0.42	53%	0.529	S	S	.	.			trans	-116.4	136.7	178.8	82.4	0	0	0	0	113.8	Q62 V77	Q62-S79 VanDerWaalsContact CD-O 3.32Å; Q62-S79 PolarHBondContact NE2-O 2.72Å; Q62-S79 PolarHBondContact NE2-OG 2.98Å; Q62-S79 VanDerWaalsContact OE1-CA 3.24Å; Q62-S79 PolarHBondContact OE1-OG 3.2Å; V77-S79 PolarHBondContact O-N 2.72Å
80	R	25	Very low	31.6	Very low	245 Å²	245	101.3 Å²	101.3	93%	0.925	52%	0.516	S	S	*	.			trans	-79.5	130.9	167.3	-91.2	179.9	167.9	-175.7	-2.3	109.6
81	R	26.5	Very low	31.4	Very low	201 Å²	201	100.3 Å²	100.3	76%	0.758	51%	0.51	S	S	*	.			trans	76.1	104.4	146.4	-136.2	179.6	-165	175.8	-0.6	118.1	Q83	R81-Q83 HydrophobicContact CG-CB 4.49Å; R81-Q83 HydrophobicContact CG-CG 4.34Å
82	I	25.6	Very low	31.1	Very low	168 Å²	168	107.3 Å²	107.3	86%	0.862	55%	0.545	S	S	*	.			trans	-121.9	92.9	135.2	-57.4	178.2	0	0	0	106
83	Q	22.3	Very low	30.6	Very low	154 Å²	154	111.8 Å²	111.8	72%	0.72	57%	0.567	S	S	*	*			trans	-88.2	111.9	160.1	-83.6	-179.9	-41.9	0	0	106.1	R81	R81-Q83 HydrophobicContact CG-CB 4.49Å; R81-Q83 HydrophobicContact CG-CG 4.34Å
84	S	28.9	Very low	30.1	Very low	180 Å²	180	120.9 Å²	120.9	100%	1.259	61%	0.612	S	S	*	*			trans	-128.8	0	151.9	62.3	0	0	0	0	107.1

Retrieved 84 of 84 residues in 90.3 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).