A0A077Z8I6_TRITR Loading...

Cystatin domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z8I6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077Z8I6_TRITR|A0A077Z8I6
MVAILKLSVVLFCLASVGAIEDALLKKFAEAAVNGINNDNDSGDKLFKVFRYFGVIETDKAITFDLIAVQTSCQKGKRVDVSECESSGSSPVLQHKVIATKKPGGVYSVASTGPMDPDSTETLSTLTL
					

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	50.5	Low	54.4	Low	173 Å²	173	91.9 Å²	91.9	85%	0.852	50%	0.504	S	S	*	.				0	143.1	0	-71.7	178.1	-74.8	0	0	108.3	D41	M1-D41 WeakPolarHBondContact CE-OD2 3.44Å
2	V	50.4	Low	54.4	Low	110 Å²	110	99.4 Å²	99.4	67%	0.667	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.3	175.1	178.5	0	0	0	0	107.7	T112	V2-T112 HydrophobicContact CG1-CG2 3.78Å
3	A	56.7	Low	53.9	Low	21 Å²	21	99.5 Å²	99.5	17%	0.174	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.3	176.8	0	0	0	0	0	110.4	M115	A3-M115 HydrophobicContact CB-CE 3.84Å; A3-M115 HydrophobicContact CB-CG 3.67Å
4	I	60.2	Low	53.8	Low	121 Å²	121	99.8 Å²	99.8	62%	0.621	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	107.4	172	-60.1	174.2	0	0	0	107.2
5	L	58.6	Low	53.5	Low	47 Å²	47	99.5 Å²	99.5	25%	0.246	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	123.9	176.8	-148.6	81.9	0	0	0	110.5	L7 G35 A110	L5-L7 HydrophobicContact CD2-CD1 3.56Å; L5-L7 HydrophobicContact CG-CD1 4.38Å; L5-G35 VanDerWaalsContact CD2-C 3.42Å; L5-G35 VanDerWaalsContact CD2-O 3.3Å; L5-G35 WeakPolarHBondContact CD2-O 3.36Å; L5-A110 WeakPolarHBondContact O-CA 2.96Å; L5-A110 WeakPolarHBondContact O-CB 3.22Å
6	K	51.1	Low	53.1	Low	169 Å²	169	99.9 Å²	99.9	74%	0.735	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.5	105.1	175.3	-68.7	-177.5	179.6	176.3	0	109.2
7	L	54.5	Low	53	Low	50 Å²	50	102.9 Å²	102.9	26%	0.262	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	125.4	169.7	-87.2	128.5	0	0	0	110.3	L5 V109	L5-L7 HydrophobicContact CD2-CD1 3.56Å; L5-L7 HydrophobicContact CG-CD1 4.38Å; L7-V109 PolarHBondContact N-O 3.46Å; L7-V109 PolarHBondContact O-N 3.5Å
8	S	50.3	Low	53	Low	102 Å²	102	101 Å²	101	71%	0.713	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93	100	172.4	-57.1	0	0	0	0	107.8
9	V	53.9	Low	53.8	Low	46 Å²	46	100.5 Å²	100.5	28%	0.279	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.3	115.4	174.3	178.9	0	0	0	0	108.4	L11 A31	V9-L11 HydrophobicContact CG1-CB 4.37Å; V9-L11 PolarHBondContact O-N 3.38Å; V9-A31 HydrophobicContact CG2-CB 3.71Å
10	V	52.8	Low	54.9	Low	118 Å²	118	97.2 Å²	97.2	72%	0.715	58%	0.582	S	S	*	*			trans	-82.1	106.7	174.4	-178.2	0	0	0	0	107.6
11	L	59.3	Low	56.3	Low	54 Å²	54	97 Å²	97	28%	0.283	58%	0.576	S	S	.	*			trans	-147.2	114.9	173.9	-140.2	77.6	0	0	0	114.1	V9 K27	V9-L11 HydrophobicContact CG1-CB 4.37Å; V9-L11 PolarHBondContact O-N 3.38Å; L11-K27 HydrophobicContact CD2-CD 3.36Å; L11-K27 HydrophobicContact CD2-CG 4.32Å; L11-K27 VanDerWaalsContact CD2-NZ 3.27Å
12	F	54.4	Low	58.1	Low	182 Å²	182	93.6 Å²	93.6	80%	0.798	56%	0.561	S	S	*	*			trans	22.5	126.5	158.6	-70.4	-87	0	0	0	122	L14	F12-L14 PolarHBondContact O-N 3.37Å
13	C	48.2	Very low	60	Low	100 Å²	100	90.9 Å²	90.9	68%	0.676	55%	0.55	S	S	*	.			trans	-54.4	108.5	167.9	-70.2	0	0	0	0	112.8	G104	C13-G104 PolarHBondContact SG-O 3.03Å
14	L	52.9	Low	61.7	Low	104 Å²	104	90.9 Å²	90.9	55%	0.545	55%	0.547	S	S	.	.			trans	-99.9	109.7	160.4	-75.4	161.7	0	0	0	108.1	F12	F12-L14 PolarHBondContact O-N 3.37Å
15	A	48	Very low	63.3	Low	96 Å²	96	85.6 Å²	85.6	79%	0.793	52%	0.52	S	S	*	.			trans	-96.6	89.3	175.9	0	0	0	0	0	109.4
16	S	48.1	Very low	65	Low	105 Å²	105	88.5 Å²	88.5	73%	0.734	53%	0.53	S	S	*	.			trans	-175	150.5	161	36.5	0	0	0	0	114
17	V	50.3	Low	67.1	Low	151 Å²	151	85 Å²	85	92%	0.915	52%	0.515	S	S	*	.			trans	-68.9	129	-166.6	178.8	0	0	0	0	113.9
18	G	54.2	Low	69.1	Low	69 Å²	69	83.1 Å²	83.1	71%	0.711	51%	0.505	S	S	*	.	S	Bend	trans	83.1	119.8	155.4	0	0	0	0	0	116.7
19	A	68	Low	71.3	Confident	92 Å²	92	78.2 Å²	78.2	76%	0.76	47%	0.471	S	S	*	.	S	Bend	trans	67.9	115.9	-174.9	0	0	0	0	0	114.6	E21	A19-E21 PolarHBondContact O-N 3.49Å
20	I	76.2	Confident	73.3	Confident	33 Å²	33	80 Å²	80	17%	0.169	48%	0.476	C	S	.	.			trans	-54.5	132	168	179.1	159.1	0	0	0	111.4	L24 L25 F28 V55 E57 I62	I20-L24 HydrophobicContact CD1-CB 4.15Å; I20-L24 HydrophobicContact CD1-CD2 3.83Å; I20-L24 HydrophobicContact CD1-CG 3.97Å; I20-L24 HydrophobicContact CG1-CB 4.07Å; I20-L24 HydrophobicContact CG1-CD2 4.07Å; I20-L24 HydrophobicContact CG1-CG 4.34Å; I20-L25 HydrophobicContact CD1-CD2 3.65Å; I20-L25 HydrophobicContact CD1-CG 3.77Å; I20-L25 HydrophobicContact CG1-CD2 4.27Å; I20-L25 HydrophobicContact CG1-CG 3.91Å; I20-L25 HydrophobicContact CG2-CD1 3.91Å; I20-L25 HydrophobicContact CG2-CD2 4.17Å; I20-L25 HydrophobicContact CG2-CG 4.02Å; I20-F28 HydrophobicContact CD1-CD2 4.4Å; I20-F28 HydrophobicContact CD1-CE2 3.88Å; I20-V55 HydrophobicContact CG2-CG1 4.18Å; I20-E57 PolarHBondContact N-OE2 2.94Å; I20-I62 HydrophobicContact CD1-CD1 3.42Å; I20-I62 VanDerWaalsContact CD1-CD1 3.42Å; I20-I62 HydrophobicContact CD1-CG1 4Å; I20-I62 HydrophobicContact CD1-CG2 4.26Å
21	E	84.3	Confident	75.3	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	44%	0.444	S	S	.	.			trans	-63.9	134.4	173.2	-65	179.1	-176.3	0	0	110.9	A19 A23 L24 L25	A19-E21 PolarHBondContact O-N 3.49Å; E21-A23 PolarHBondContact O-N 2.95Å; E21-A23 VanDerWaalsContact O-N 3.16Å; E21-L24 HydrophobicContact CB-CB 4.43Å; E21-L24 WeakPolarHBondContact O-CA 3.47Å; E21-L24 WeakPolarHBondContact O-CB 3.37Å; E21-L24 PolarHBondContact O-N 2.76Å; E21-L25 PolarHBondContact O-N 2.79Å
22	D	88.1	Confident	77.1	Confident	101 Å²	101	72.2 Å²	72.2	54%	0.54	43%	0.432	S	S	.	.	H	α-helix	trans	-55.1	-34.7	175.7	-175.6	63.6	0	0	0	112.1	L24 L25 K26 Y52	D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.5Å; D22-L25 PolarHBondContact O-N 2.87Å; D22-K26 WeakPolarHBondContact O-CB 3.41Å; D22-K26 PolarHBondContact O-N 2.89Å; D22-Y52 VanDerWaalsContact CG-OH 3.26Å; D22-Y52 PolarHBondContact OD1-OH 3.43Å; D22-Y52 PolarHBondContact OD2-OH 3.03Å
23	A	90	Very high	79.1	Confident	53 Å²	53	63.8 Å²	63.8	44%	0.438	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-34	174.3	0	0	0	0	0	113.2	E21 K27	E21-A23 PolarHBondContact O-N 2.95Å; E21-A23 VanDerWaalsContact O-N 3.16Å; A23-K27 WeakPolarHBondContact O-CD 3.44Å; A23-K27 WeakPolarHBondContact O-CG 3.34Å; A23-K27 PolarHBondContact O-N 3.05Å
24	L	91.5	Very high	81.2	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-75.4	-40.9	176.6	-174.2	60.7	0	0	0	111.1	I20 E21 D22 K27 F28 Y107	I20-L24 HydrophobicContact CD1-CB 4.15Å; I20-L24 HydrophobicContact CD1-CD2 3.83Å; I20-L24 HydrophobicContact CD1-CG 3.97Å; I20-L24 HydrophobicContact CG1-CB 4.07Å; I20-L24 HydrophobicContact CG1-CD2 4.07Å; I20-L24 HydrophobicContact CG1-CG 4.34Å; E21-L24 HydrophobicContact CB-CB 4.43Å; E21-L24 WeakPolarHBondContact O-CA 3.47Å; E21-L24 WeakPolarHBondContact O-CB 3.37Å; E21-L24 PolarHBondContact O-N 2.76Å; D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.5Å; L24-K27 WeakPolarHBondContact O-CB 3.34Å; L24-K27 PolarHBondContact O-N 3.32Å; L24-F28 HydrophobicContact CD1-CE1 3.88Å; L24-F28 HydrophobicContact CD1-CE2 4.21Å; L24-F28 HydrophobicContact CD1-CZ 3.58Å; L24-F28 HydrophobicContact CD2-CE2 4.17Å; L24-F28 HydrophobicContact CD2-CZ 4Å; L24-F28 HydrophobicContact CG-CE1 4.29Å; L24-F28 HydrophobicContact CG-CE2 3.69Å; L24-F28 HydrophobicContact CG-CZ 3.57Å; L24-F28 WeakPolarHBondContact O-CD2 3.33Å; L24-F28 WeakPolarHBondContact O-CG 3.34Å; L24-F28 PolarHBondContact O-N 2.78Å; L24-F28 VanDerWaalsContact O-N 3.16Å; L24-Y107 HydrophobicContact CD2-CE2 4.17Å
25	L	94.5	Very high	83.2	Confident	10 Å²	10	58 Å²	58	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-46.5	172.7	-73	171.3	0	0	0	111.8	I20 E21 D22 K27 F28 A29 Y52 V55 I62 F64	I20-L25 HydrophobicContact CD1-CD2 3.65Å; I20-L25 HydrophobicContact CD1-CG 3.77Å; I20-L25 HydrophobicContact CG1-CD2 4.27Å; I20-L25 HydrophobicContact CG1-CG 3.91Å; I20-L25 HydrophobicContact CG2-CD1 3.91Å; I20-L25 HydrophobicContact CG2-CD2 4.17Å; I20-L25 HydrophobicContact CG2-CG 4.02Å; E21-L25 PolarHBondContact O-N 2.79Å; D22-L25 PolarHBondContact O-N 2.87Å; L25-K27 VanDerWaalsContact C-N 3.27Å; L25-K27 PolarHBondContact O-N 2.98Å; L25-F28 WeakPolarHBondContact O-CB 3.3Å; L25-F28 PolarHBondContact O-N 3.15Å; L25-A29 PolarHBondContact O-N 3.19Å; L25-Y52 HydrophobicContact CB-CD2 4.49Å; L25-Y52 HydrophobicContact CB-CE2 3.95Å; L25-Y52 HydrophobicContact CD1-CE2 4.26Å; L25-V55 HydrophobicContact CD1-CG1 4.13Å; L25-V55 HydrophobicContact CD1-CG2 3.83Å; L25-V55 HydrophobicContact CD2-CG1 3.91Å; L25-V55 HydrophobicContact CD2-CG2 4.25Å; L25-I62 HydrophobicContact CD2-CG2 3.77Å; L25-F64 HydrophobicContact CD2-CD1 4.04Å; L25-F64 HydrophobicContact CD2-CE1 4.25Å
26	K	94.7	Very high	85.4	Confident	108 Å²	108	53.4 Å²	53.4	47%	0.47	32%	0.321	S	S	.	.	H	α-helix	trans	-54.7	-44.1	176.8	-179.1	174	175.7	178.5	0	111.7	D22 F28 A29 E30 Y52	D22-K26 WeakPolarHBondContact O-CB 3.41Å; D22-K26 PolarHBondContact O-N 2.89Å; K26-F28 VanDerWaalsContact C-N 3.34Å; K26-F28 PolarHBondContact O-N 3.41Å; K26-A29 WeakPolarHBondContact O-CB 3.36Å; K26-A29 PolarHBondContact O-N 2.85Å; K26-E30 WeakPolarHBondContact CE-OE1 3.34Å; K26-E30 HydrophobicContact CG-CG 4.49Å; K26-E30 WeakPolarHBondContact O-CB 3.26Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 3Å; K26-Y52 HydrophobicContact CB-CE1 4.45Å
27	K	94.6	Very high	87.6	Confident	96 Å²	96	49.1 Å²	49.1	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-37.2	176.2	-73.8	162.1	165.1	178.5	0	113	L11 A23 L24 L25 A31	L11-K27 HydrophobicContact CD2-CD 3.36Å; L11-K27 HydrophobicContact CD2-CG 4.32Å; L11-K27 VanDerWaalsContact CD2-NZ 3.27Å; A23-K27 WeakPolarHBondContact O-CD 3.44Å; A23-K27 WeakPolarHBondContact O-CG 3.34Å; A23-K27 PolarHBondContact O-N 3.05Å; L24-K27 WeakPolarHBondContact O-CB 3.34Å; L24-K27 PolarHBondContact O-N 3.32Å; L25-K27 VanDerWaalsContact C-N 3.27Å; L25-K27 PolarHBondContact O-N 2.98Å; K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 3.33Å
28	F	95.8	Very high	89.6	Confident	10 Å²	10	47.9 Å²	47.9	4%	0.044	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-38.5	174.6	-59.9	-28.6	0	0	0	112.1	I20 L24 L25 K26 A31 A32 I62 F64 A99 Y107 V109	I20-F28 HydrophobicContact CD1-CD2 4.4Å; I20-F28 HydrophobicContact CD1-CE2 3.88Å; L24-F28 HydrophobicContact CD1-CE1 3.88Å; L24-F28 HydrophobicContact CD1-CE2 4.21Å; L24-F28 HydrophobicContact CD1-CZ 3.58Å; L24-F28 HydrophobicContact CD2-CE2 4.17Å; L24-F28 HydrophobicContact CD2-CZ 4Å; L24-F28 HydrophobicContact CG-CE1 4.29Å; L24-F28 HydrophobicContact CG-CE2 3.69Å; L24-F28 HydrophobicContact CG-CZ 3.57Å; L24-F28 WeakPolarHBondContact O-CD2 3.33Å; L24-F28 WeakPolarHBondContact O-CG 3.34Å; L24-F28 PolarHBondContact O-N 2.78Å; L24-F28 VanDerWaalsContact O-N 3.16Å; L25-F28 WeakPolarHBondContact O-CB 3.3Å; L25-F28 PolarHBondContact O-N 3.15Å; K26-F28 VanDerWaalsContact C-N 3.34Å; K26-F28 PolarHBondContact O-N 3.41Å; F28-A31 PolarHBondContact O-N 2.85Å; F28-A32 PolarHBondContact O-N 2.81Å; F28-I62 HydrophobicContact CE2-CD1 4.04Å; F28-F64 HydrophobicContact CB-CE1 3.8Å; F28-F64 HydrophobicContact CB-CZ 3.76Å; F28-F64 HydrophobicContact CD2-CE1 4.4Å; F28-A99 HydrophobicContact CB-CB 4.48Å; F28-A99 HydrophobicContact CD1-CB 4.14Å; F28-A99 HydrophobicContact CD2-CB 3.45Å; F28-A99 VanDerWaalsContact CD2-CB 3.45Å; F28-A99 HydrophobicContact CE1-CB 4.2Å; F28-A99 HydrophobicContact CE2-CB 3.52Å; F28-A99 HydrophobicContact CG-CB 3.78Å; F28-A99 HydrophobicContact CZ-CB 3.91Å; F28-Y107 HydrophobicContact CE1-CD1 4.4Å; F28-Y107 HydrophobicContact CE1-CD2 4.26Å; F28-Y107 AromaticContact CE1-CG 3.86Å; F28-Y107 HydrophobicContact CE1-CG 3.86Å; F28-Y107 HydrophobicContact CE2-CD1 4.22Å; F28-Y107 HydrophobicContact CE2-CE1 4.47Å; F28-Y107 HydrophobicContact CE2-CG 4.41Å; F28-Y107 AromaticContact CZ-CD1 3.63Å; F28-Y107 HydrophobicContact CZ-CD1 3.63Å; F28-Y107 AromaticContact CZ-CD2 3.74Å; F28-Y107 HydrophobicContact CZ-CD2 3.74Å; F28-Y107 HydrophobicContact CZ-CE1 4.12Å; F28-Y107 HydrophobicContact CZ-CE2 4.24Å; F28-Y107 AromaticContact CZ-CG 3.41Å; F28-Y107 HydrophobicContact CZ-CG 3.41Å; F28-Y107 VanDerWaalsContact CZ-CG 3.41Å; F28-V109 HydrophobicContact CB-CG1 4.44Å; F28-V109 HydrophobicContact CB-CG2 4.28Å; F28-V109 HydrophobicContact CD1-CG2 3.46Å; F28-V109 VanDerWaalsContact CD1-CG2 3.46Å; F28-V109 HydrophobicContact CE1-CG2 4.09Å; F28-V109 HydrophobicContact CG-CG2 4.09Å
29	A	97	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-46	174.5	0	0	0	0	0	111.2	L25 K26 A31 A32 V33 V49 Y52 F64 L66	L25-A29 PolarHBondContact O-N 3.19Å; K26-A29 WeakPolarHBondContact O-CB 3.36Å; K26-A29 PolarHBondContact O-N 2.85Å; A29-A31 VanDerWaalsContact C-N 3.35Å; A29-A31 PolarHBondContact O-N 2.94Å; A29-A32 PolarHBondContact O-N 2.89Å; A29-V33 WeakPolarHBondContact O-CG2 3.34Å; A29-V33 PolarHBondContact O-N 2.89Å; A29-V49 HydrophobicContact CB-CG1 4.04Å; A29-V49 HydrophobicContact CB-CG2 3.86Å; A29-Y52 HydrophobicContact CB-CD1 3.77Å; A29-Y52 HydrophobicContact CB-CE1 4.29Å; A29-F64 HydrophobicContact CB-CE2 4.05Å; A29-F64 HydrophobicContact CB-CZ 4.26Å; A29-L66 HydrophobicContact CB-CD1 3.99Å
30	E	96	Very high	92.5	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-41.5	174.8	-73.2	170.3	173.7	0	0	111.8	K26 A32 V33 N34 V49	K26-E30 WeakPolarHBondContact CE-OE1 3.34Å; K26-E30 HydrophobicContact CG-CG 4.49Å; K26-E30 WeakPolarHBondContact O-CB 3.26Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 3Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 2.84Å; E30-V33 PolarHBondContact O-N 3.03Å; E30-N34 WeakPolarHBondContact O-CB 3.24Å; E30-N34 PolarHBondContact O-N 3.1Å; E30-N34 PolarHBondContact O-ND2 3.36Å; E30-V49 HydrophobicContact CG-CG2 4.23Å
31	A	95.7	Very high	93.3	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-42.9	174.9	0	0	0	0	0	112.1	V9 K27 F28 A29 N34 G35 V109	V9-A31 HydrophobicContact CG2-CB 3.71Å; K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 3.33Å; F28-A31 PolarHBondContact O-N 2.85Å; A29-A31 VanDerWaalsContact C-N 3.35Å; A29-A31 PolarHBondContact O-N 2.94Å; A31-N34 PolarHBondContact O-N 2.88Å; A31-G35 PolarHBondContact O-N 2.68Å; A31-V109 HydrophobicContact CB-CB 4.27Å; A31-V109 HydrophobicContact CB-CG1 4.2Å; A31-V109 HydrophobicContact CB-CG2 4.34Å
32	A	96.6	Very high	93.7	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-42.9	176.2	0	0	0	0	0	112.2	F28 A29 E30 G35 I36 L66 V97	F28-A32 PolarHBondContact O-N 2.81Å; A29-A32 PolarHBondContact O-N 2.89Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 2.84Å; A32-G35 WeakPolarHBondContact O-CA 3.36Å; A32-G35 PolarHBondContact O-N 2.81Å; A32-G35 VanDerWaalsContact O-N 3.08Å; A32-I36 PolarHBondContact O-N 2.84Å; A32-I36 VanDerWaalsContact O-N 3.11Å; A32-L66 HydrophobicContact CB-CD2 3.6Å; A32-V97 HydrophobicContact CB-CG1 4.24Å; A32-V97 HydrophobicContact CB-CG2 3.7Å
33	V	95.7	Very high	93.9	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-39.2	175.2	169.5	0	0	0	0	112.1	A29 E30 G35 I36 N37 F47 V49 L66 A68	A29-V33 WeakPolarHBondContact O-CG2 3.34Å; A29-V33 PolarHBondContact O-N 2.89Å; E30-V33 PolarHBondContact O-N 3.03Å; V33-G35 PolarHBondContact O-N 3.33Å; V33-I36 WeakPolarHBondContact O-CB 3.48Å; V33-I36 PolarHBondContact O-N 3.33Å; V33-I36 VanDerWaalsContact O-N 3.11Å; V33-N37 WeakPolarHBondContact O-CB 3.2Å; V33-N37 PolarHBondContact O-N 3.05Å; V33-F47 HydrophobicContact CG1-CB 4.24Å; V33-F47 WeakPolarHBondContact CG1-O 3.39Å; V33-V49 HydrophobicContact CB-CG2 4.23Å; V33-V49 HydrophobicContact CG2-CB 4.45Å; V33-V49 HydrophobicContact CG2-CG2 3.56Å; V33-L66 HydrophobicContact CG2-CD1 4.42Å; V33-L66 HydrophobicContact CG2-CD2 4Å; V33-A68 HydrophobicContact CG2-CB 3.97Å
34	N	93.9	Very high	94.1	Very high	81 Å²	81	44.5 Å²	44.5	43%	0.433	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-32.2	171.8	-73.9	-20.9	0	0	0	111.3	E30 A31 N38	E30-N34 WeakPolarHBondContact O-CB 3.24Å; E30-N34 PolarHBondContact O-N 3.1Å; E30-N34 PolarHBondContact O-ND2 3.36Å; A31-N34 PolarHBondContact O-N 2.88Å; N34-N38 PolarHBondContact O-N 3.13Å; N34-N38 PolarHBondContact O-ND2 3.34Å
35	G	93.7	Very high	94.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-53.6	170.4	0	0	0	0	0	113.5	L5 A31 A32 V33 N37 N38 D39	L5-G35 VanDerWaalsContact CD2-C 3.42Å; L5-G35 VanDerWaalsContact CD2-O 3.3Å; L5-G35 WeakPolarHBondContact CD2-O 3.36Å; A31-G35 PolarHBondContact O-N 2.68Å; A32-G35 WeakPolarHBondContact O-CA 3.36Å; A32-G35 PolarHBondContact O-N 2.81Å; A32-G35 VanDerWaalsContact O-N 3.08Å; V33-G35 PolarHBondContact O-N 3.33Å; G35-N37 VanDerWaalsContact C-N 3.27Å; G35-N37 PolarHBondContact O-N 3.16Å; G35-N38 PolarHBondContact O-N 3.19Å; G35-N38 VanDerWaalsContact O-N 3.13Å; G35-D39 PolarHBondContact O-N 2.85Å; G35-D39 VanDerWaalsContact O-N 3.16Å
36	I	94.8	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-47	175.2	-63.6	169.9	0	0	0	110.3	A32 V33 N38 D39 S42 F47 A68 L93 M115	A32-I36 PolarHBondContact O-N 2.84Å; A32-I36 VanDerWaalsContact O-N 3.11Å; V33-I36 WeakPolarHBondContact O-CB 3.48Å; V33-I36 PolarHBondContact O-N 3.33Å; V33-I36 VanDerWaalsContact O-N 3.11Å; I36-N38 PolarHBondContact O-N 3.07Å; I36-D39 WeakPolarHBondContact O-CB 3.37Å; I36-D39 PolarHBondContact O-N 3.11Å; I36-S42 PolarHBondContact O-OG 2.66Å; I36-S42 VanDerWaalsContact O-OG 3.07Å; I36-F47 HydrophobicContact CG2-CB 4.22Å; I36-F47 HydrophobicContact CG2-CD2 3.87Å; I36-F47 HydrophobicContact CG2-CE2 4.45Å; I36-F47 HydrophobicContact CG2-CG 3.97Å; I36-A68 HydrophobicContact CD1-CB 3.81Å; I36-L93 HydrophobicContact CG2-CD1 3.68Å; I36-M115 HydrophobicContact CG1-SD 4.21Å
37	N	94.3	Very high	94.3	Very high	16 Å²	16	41 Å²	41	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-24.4	-177.9	-76.1	-25.5	0	0	0	114.5	V33 G35 L46 F47 K75	V33-N37 WeakPolarHBondContact O-CB 3.2Å; V33-N37 PolarHBondContact O-N 3.05Å; G35-N37 VanDerWaalsContact C-N 3.27Å; G35-N37 PolarHBondContact O-N 3.16Å; N37-L46 HydrophobicContact CB-CD2 4.03Å; N37-L46 WeakPolarHBondContact OD1-CA 3.37Å; N37-F47 PolarHBondContact ND2-O 2.99Å; N37-F47 PolarHBondContact OD1-N 3.21Å; N37-K75 WeakPolarHBondContact O-CD 3.45Å; N37-K75 VanDerWaalsContact O-CE 3.25Å; N37-K75 WeakPolarHBondContact O-CE 3.25Å
38	N	92.5	Very high	94.4	Very high	124 Å²	124	38.7 Å²	38.7	66%	0.663	21%	0.209	S	C	*	.	H	α-helix	trans	-93	-9.2	176.1	-72.8	-49.4	0	0	0	113.1	N34 G35 I36	N34-N38 PolarHBondContact O-N 3.13Å; N34-N38 PolarHBondContact O-ND2 3.34Å; G35-N38 PolarHBondContact O-N 3.19Å; G35-N38 VanDerWaalsContact O-N 3.13Å; I36-N38 PolarHBondContact O-N 3.07Å
39	D	92.7	Very high	94.4	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	22%	0.22	C	C	.	.			trans	-81.5	135.9	176.4	-163.7	-69.3	0	0	0	110.1	G35 I36 D41 K75 M115	G35-D39 PolarHBondContact O-N 2.85Å; G35-D39 VanDerWaalsContact O-N 3.16Å; I36-D39 WeakPolarHBondContact O-CB 3.37Å; I36-D39 PolarHBondContact O-N 3.11Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 3.08Å; D39-K75 PolarHBondContact O-NZ 3.11Å; D39-M115 HydrophobicContact CB-CE 4.24Å; D39-M115 HydrophobicContact CB-SD 4.11Å
40	N	90.5	Very high	94.3	Very high	151 Å²	151	44.1 Å²	44.1	81%	0.807	24%	0.237	S	C	*	.	S	Bend	trans	-74.9	-27.3	-178.3	-71.4	-34.9	0	0	0	112.5	S42	N40-S42 PolarHBondContact O-N 3.25Å
41	D	92.6	Very high	94.3	Very high	69 Å²	69	44.3 Å²	44.3	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.2	-176	-66.3	-17.6	0	0	0	111.7	M1 D39 G43 M115	M1-D41 WeakPolarHBondContact CE-OD2 3.44Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 3.08Å; D41-G43 PolarHBondContact O-N 3.07Å; D41-G43 VanDerWaalsContact O-N 3.14Å; D41-M115 HydrophobicContact CB-CB 3.84Å
42	S	92.7	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	14.4	178.3	107.6	0	0	0	0	114.9	I36 N40 F47 K75 M115	I36-S42 PolarHBondContact O-OG 2.66Å; I36-S42 VanDerWaalsContact O-OG 3.07Å; N40-S42 PolarHBondContact O-N 3.25Å; S42-F47 WeakPolarHBondContact O-CE2 3.31Å; S42-K75 WeakPolarHBondContact OG-CE 3.06Å; S42-K75 PolarHBondContact OG-NZ 3.31Å; S42-M115 WeakPolarHBondContact CA-O 3.21Å; S42-M115 VanDerWaalsContact CB-O 3.31Å; S42-M115 WeakPolarHBondContact CB-O 3.45Å
43	G	92.5	Very high	94.2	Very high	36 Å²	36	50 Å²	50	37%	0.371	26%	0.256	S	S	.	.			trans	77.1	-167.7	177.6	0	0	0	0	0	113.9	D41 K75	D41-G43 PolarHBondContact O-N 3.07Å; D41-G43 VanDerWaalsContact O-N 3.14Å; G43-K75 VanDerWaalsContact O-CD 3.26Å; G43-K75 WeakPolarHBondContact O-CD 3.36Å; G43-K75 WeakPolarHBondContact O-CE 3.32Å; G43-K75 PolarHBondContact O-NZ 3.43Å
44	D	93.4	Very high	94.1	Very high	92 Å²	92	51.9 Å²	51.9	49%	0.492	28%	0.277	S	S	.	.	S	Bend	trans	-91.5	-4.7	-172.3	76	-36.6	0	0	0	113.9	Q74 K75	D44-Q74 CarbonylContact O-C 3.48Å; D44-Q74 WeakPolarHBondContact O-CA 3.47Å; D44-K75 PolarHBondContact O-N 3.31Å
45	K	94.6	Very high	94.2	Very high	49 Å²	49	50.9 Å²	50.9	21%	0.213	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.5	-177.1	-61.8	-53.4	-177	171	0	112.9	Q70 S72 C73 Q74 K75	K45-Q70 HydrophobicContact CB-CG 3.49Å; K45-Q70 VanDerWaalsContact CB-CG 3.49Å; K45-Q70 HydrophobicContact CG-CG 4.09Å; K45-S72 PolarHBondContact NZ-O 2.81Å; K45-C73 CarbonylContact C-O 3.6Å; K45-C73 VanDerWaalsContact CA-O 3.29Å; K45-C73 WeakPolarHBondContact CA-O 3.39Å; K45-C73 WeakPolarHBondContact CD-O 3.36Å; K45-Q74 HydrophobicContact CD-CG 4.47Å; K45-K75 VanDerWaalsContact O-CE 3.25Å; K45-K75 WeakPolarHBondContact O-CE 3.33Å
46	L	95.5	Very high	94.2	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143	171.5	-69	170.6	0	0	0	110.2	N37 T71 C73 K75 V81	N37-L46 HydrophobicContact CB-CD2 4.03Å; N37-L46 WeakPolarHBondContact OD1-CA 3.37Å; L46-T71 WeakPolarHBondContact O-CB 3.34Å; L46-T71 WeakPolarHBondContact O-CG2 3.49Å; L46-T71 PolarHBondContact O-N 3.47Å; L46-T71 PolarHBondContact O-OG1 3.24Å; L46-C73 HydrophobicContact CB-CB 4.31Å; L46-C73 HydrophobicContact CD1-CB 3.91Å; L46-C73 HydrophobicContact CG-CB 4.46Å; L46-C73 PolarHBondContact N-O 3.22Å; L46-K75 HydrophobicContact CD2-CG 3.9Å; L46-K75 HydrophobicContact CG-CG 4.34Å; L46-V81 HydrophobicContact CD1-CG2 4.16Å
47	F	95.9	Very high	94.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	150.5	169.5	-73.9	-102.2	0	0	0	110	V33 I36 N37 S42 A68 V69 Q70 L93 P117	V33-F47 HydrophobicContact CG1-CB 4.24Å; V33-F47 WeakPolarHBondContact CG1-O 3.39Å; I36-F47 HydrophobicContact CG2-CB 4.22Å; I36-F47 HydrophobicContact CG2-CD2 3.87Å; I36-F47 HydrophobicContact CG2-CE2 4.45Å; I36-F47 HydrophobicContact CG2-CG 3.97Å; N37-F47 PolarHBondContact ND2-O 2.99Å; N37-F47 PolarHBondContact OD1-N 3.21Å; S42-F47 WeakPolarHBondContact O-CE2 3.31Å; F47-A68 HydrophobicContact CB-CB 4.22Å; F47-A68 HydrophobicContact CD1-CB 4.02Å; F47-V69 VanDerWaalsContact CA-O 3.26Å; F47-V69 WeakPolarHBondContact CA-O 3.47Å; F47-V69 VanDerWaalsContact CD1-C 3.48Å; F47-Q70 HydrophobicContact CD1-CB 4.21Å; F47-Q70 HydrophobicContact CE1-CB 3.68Å; F47-Q70 HydrophobicContact CE1-CG 4.37Å; F47-Q70 HydrophobicContact CE2-CB 4.34Å; F47-Q70 HydrophobicContact CE2-CG 4.14Å; F47-Q70 HydrophobicContact CZ-CB 3.76Å; F47-Q70 HydrophobicContact CZ-CG 3.96Å; F47-L93 HydrophobicContact CD1-CD1 4.12Å; F47-L93 HydrophobicContact CD1-CG 4.27Å; F47-L93 HydrophobicContact CE1-CB 4.34Å; F47-L93 HydrophobicContact CE1-CD1 3.66Å; F47-L93 HydrophobicContact CE1-CG 3.61Å; F47-L93 HydrophobicContact CE2-CD1 4.21Å; F47-L93 HydrophobicContact CZ-CD1 3.71Å; F47-L93 HydrophobicContact CZ-CG 3.99Å; F47-P117 HydrophobicContact CZ-CB 4.19Å; F47-P117 HydrophobicContact CZ-CG 4.35Å
48	K	96	Very high	93.9	Very high	48 Å²	48	62.3 Å²	62.3	21%	0.209	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158	170.5	69.9	-176.9	179.2	-174.5	0	110.8	F50 A68 V69 T71 V81 C84 S86	K48-F50 PolarHBondContact O-N 2.93Å; K48-A68 WeakPolarHBondContact O-CA 3.37Å; K48-V69 HydrophobicContact CG-CG1 3.68Å; K48-V69 PolarHBondContact N-O 2.85Å; K48-V69 PolarHBondContact O-N 3.33Å; K48-T71 HydrophobicContact CB-CG2 4.14Å; K48-T71 HydrophobicContact CD-CG2 3.81Å; K48-T71 HydrophobicContact CG-CG2 3.75Å; K48-V81 HydrophobicContact CB-CG1 3.61Å; K48-C84 PolarHBondContact NZ-O 3.41Å; K48-S86 VanDerWaalsContact CE-OG 3.25Å; K48-S86 WeakPolarHBondContact CE-OG 3.49Å; K48-S86 PolarHBondContact NZ-OG 3.33Å
49	V	96.3	Very high	93.7	Very high	43 Å²	43	63.9 Å²	63.9	26%	0.261	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	119.5	172.7	179.5	0	0	0	0	108.1	A29 E30 V33 Y52 L66	A29-V49 HydrophobicContact CB-CG1 4.04Å; A29-V49 HydrophobicContact CB-CG2 3.86Å; E30-V49 HydrophobicContact CG-CG2 4.23Å; V33-V49 HydrophobicContact CB-CG2 4.23Å; V33-V49 HydrophobicContact CG2-CB 4.45Å; V33-V49 HydrophobicContact CG2-CG2 3.56Å; V49-Y52 HydrophobicContact CG1-CD1 4.1Å; V49-L66 HydrophobicContact CG1-CD1 3.96Å; V49-L66 HydrophobicContact CG2-CD1 4.35Å
50	F	95.1	Very high	93.7	Very high	81 Å²	81	70.7 Å²	70.7	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-54.3	170.6	174.8	-112.5	0	0	0	110.7	K48 I67 V69 L123 L128	K48-F50 PolarHBondContact O-N 2.93Å; F50-I67 HydrophobicContact CB-CB 4.47Å; F50-I67 HydrophobicContact CB-CG2 4.21Å; F50-I67 WeakPolarHBondContact CB-O 3.45Å; F50-I67 HydrophobicContact CD1-CB 4.25Å; F50-I67 HydrophobicContact CD1-CG2 3.95Å; F50-I67 PolarHBondContact N-O 3.39Å; F50-V69 HydrophobicContact CB-CB 4.06Å; F50-V69 HydrophobicContact CB-CG1 3.89Å; F50-L123 HydrophobicContact CD1-CD1 3.56Å; F50-L123 HydrophobicContact CD2-CD1 3.7Å; F50-L123 HydrophobicContact CD2-CD2 4.37Å; F50-L123 HydrophobicContact CE1-CD1 3.43Å; F50-L123 VanDerWaalsContact CE1-CD1 3.43Å; F50-L123 HydrophobicContact CE2-CD1 3.58Å; F50-L123 HydrophobicContact CE2-CD2 4.06Å; F50-L123 HydrophobicContact CE2-CG 4.31Å; F50-L123 HydrophobicContact CG-CD1 3.7Å; F50-L123 HydrophobicContact CZ-CD1 3.43Å; F50-L123 VanDerWaalsContact CZ-CD1 3.43Å; F50-L123 HydrophobicContact CZ-CG 4.3Å; F50-L128 HydrophobicContact CE1-CD1 3.53Å; F50-L128 HydrophobicContact CE1-CD2 4.11Å; F50-L128 HydrophobicContact CZ-CD1 3.76Å
51	R	94.6	Very high	93.9	Very high	86 Å²	86	64.1 Å²	64.1	33%	0.325	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.2	172.7	71.4	-175.5	-65	-162.9	4.5	111.2	F53 I67 L128	R51-F53 HydrophobicContact CG-CD1 4.19Å; R51-F53 HydrophobicContact CG-CE1 4.49Å; R51-I67 HydrophobicContact CG-CB 4.11Å; R51-I67 HydrophobicContact CG-CD1 3.93Å; R51-I67 HydrophobicContact CG-CG1 4.09Å; R51-I67 PolarHBondContact N-O 2.83Å; R51-I67 PolarHBondContact O-N 3.39Å; R51-L128 PolarHBondContact NH1-OXT 3.47Å
52	Y	95.7	Very high	94	Very high	51 Å²	51	60.8 Å²	60.8	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.1	163.9	49.4	-95	0	0	0	110	D22 L25 K26 A29 V49 F64 D65	D22-Y52 VanDerWaalsContact CG-OH 3.26Å; D22-Y52 PolarHBondContact OD1-OH 3.43Å; D22-Y52 PolarHBondContact OD2-OH 3.03Å; L25-Y52 HydrophobicContact CB-CD2 4.49Å; L25-Y52 HydrophobicContact CB-CE2 3.95Å; L25-Y52 HydrophobicContact CD1-CE2 4.26Å; K26-Y52 HydrophobicContact CB-CE1 4.45Å; A29-Y52 HydrophobicContact CB-CD1 3.77Å; A29-Y52 HydrophobicContact CB-CE1 4.29Å; V49-Y52 HydrophobicContact CG1-CD1 4.1Å; Y52-F64 HydrophobicContact CG-CD2 4.48Å; Y52-D65 CarbonylContact C-O 3.59Å; Y52-D65 WeakPolarHBondContact CA-O 3.49Å; Y52-D65 WeakPolarHBondContact CB-O 3.5Å
53	F	95.1	Very high	94.1	Very high	76 Å²	76	62.9 Å²	62.9	33%	0.333	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	179.7	-178.2	59.3	-87.5	0	0	0	110.9	R51 V55 F64 D65 I67	R51-F53 HydrophobicContact CG-CD1 4.19Å; R51-F53 HydrophobicContact CG-CE1 4.49Å; F53-V55 VanDerWaalsContact C-N 3.32Å; F53-V55 PolarHBondContact O-N 3.16Å; F53-F64 WeakPolarHBondContact O-CB 3.4Å; F53-D65 HydrophobicContact CD1-CB 4.49Å; F53-D65 HydrophobicContact CD2-CB 4.1Å; F53-D65 HydrophobicContact CE1-CB 4.12Å; F53-D65 HydrophobicContact CE2-CB 3.69Å; F53-D65 HydrophobicContact CG-CB 4.49Å; F53-D65 HydrophobicContact CZ-CB 3.7Å; F53-D65 PolarHBondContact N-O 2.87Å; F53-D65 PolarHBondContact O-N 2.78Å; F53-I67 HydrophobicContact CE1-CD1 3.92Å; F53-I67 HydrophobicContact CE1-CG1 3.97Å
54	G	94.6	Very high	94.4	Very high	46 Å²	46	61.2 Å²	61.2	47%	0.474	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.6	36.6	176.6	0	0	0	0	0	113.1	I56	G54-I56 PolarHBondContact O-N 3.14Å
55	V	95.5	Very high	94.5	Very high	60 Å²	60	59.1 Å²	59.1	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.1	-176.7	-175.8	0	0	0	0	110.1	I20 L25 F53 I62 T63 F64	I20-V55 HydrophobicContact CG2-CG1 4.18Å; L25-V55 HydrophobicContact CD1-CG1 4.13Å; L25-V55 HydrophobicContact CD1-CG2 3.83Å; L25-V55 HydrophobicContact CD2-CG1 3.91Å; L25-V55 HydrophobicContact CD2-CG2 4.25Å; F53-V55 VanDerWaalsContact C-N 3.32Å; F53-V55 PolarHBondContact O-N 3.16Å; V55-I62 HydrophobicContact CG1-CG2 3.97Å; V55-T63 CarbonylContact C-O 3.53Å; V55-T63 WeakPolarHBondContact CA-O 3.48Å; V55-F64 HydrophobicContact CG2-CB 3.99Å
56	I	94.2	Very high	94.7	Very high	103 Å²	103	56.9 Å²	56.9	53%	0.528	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120	172.8	-59.3	171.6	0	0	0	107.3	G54 T58 I62 T63	G54-I56 PolarHBondContact O-N 3.14Å; I56-T58 HydrophobicContact CG2-CG2 4.38Å; I56-I62 CarbonylContact O-C 3.58Å; I56-I62 WeakPolarHBondContact O-CA 3.13Å; I56-T63 PolarHBondContact N-O 2.82Å; I56-T63 PolarHBondContact O-N 2.85Å
57	E	91.9	Very high	94.7	Very high	86 Å²	86	56.3 Å²	56.3	40%	0.402	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134	173.6	179.8	169.1	-167.5	0	0	110.4	I20 I62 K101	I20-E57 PolarHBondContact N-OE2 2.94Å; E57-I62 HydrophobicContact CB-CG1 4.12Å; E57-I62 HydrophobicContact CG-CG1 3.88Å; E57-K101 IonicContact OE1-NZ 2.78Å; E57-K101 PolarHBondContact OE1-NZ 2.82Å
58	T	90.2	Very high	94.7	Very high	68 Å²	68	56.3 Å²	56.3	42%	0.417	29%	0.29	S	S	.	.			trans	-127.2	174.3	171.8	68.4	0	0	0	0	109.7	I56 K60 A61 K101	I56-T58 HydrophobicContact CG2-CG2 4.38Å; T58-K60 PolarHBondContact O-N 3.24Å; T58-K60 VanDerWaalsContact O-N 3.15Å; T58-K60 PolarHBondContact OG1-N 2.91Å; T58-A61 PolarHBondContact N-O 3.39Å; T58-A61 PolarHBondContact OG1-N 3.17Å; T58-A61 PolarHBondContact OG1-O 2.98Å; T58-K101 PolarHBondContact O-NZ 3.34Å
59	D	89	Confident	94.8	Very high	156 Å²	156	54 Å²	54	83%	0.834	28%	0.28	S	S	*	.	S	Bend	trans	-60.2	-23.7	174.1	-62.9	-19.8	0	0	0	113.2	K101	D59-K101 WeakPolarHBondContact O-CD 3.34Å
60	K	91.9	Very high	94.7	Very high	168 Å²	168	53.8 Å²	53.8	73%	0.73	28%	0.276	S	S	*	.	S	Bend	trans	-107.7	-27	-172.5	-64.2	-178.6	-178.1	175.3	0	114	T58 K101	T58-K60 PolarHBondContact O-N 3.24Å; T58-K60 VanDerWaalsContact O-N 3.15Å; T58-K60 PolarHBondContact OG1-N 2.91Å; K60-K101 WeakPolarHBondContact O-CB 3.26Å; K60-K101 PolarHBondContact O-N 2.86Å
61	A	93.5	Very high	94.8	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	160.7	-173.3	0	0	0	0	0	112.1	T58 I98 A99	T58-A61 PolarHBondContact N-O 3.39Å; T58-A61 PolarHBondContact OG1-N 3.17Å; T58-A61 PolarHBondContact OG1-O 2.98Å; A61-I98 HydrophobicContact CB-CD1 4.31Å; A61-I98 HydrophobicContact CB-CG1 4.12Å; A61-A99 CarbonylContact C-O 3.53Å; A61-A99 WeakPolarHBondContact CA-O 3.43Å; A61-A99 WeakPolarHBondContact CB-O 3.49Å
62	I	94.7	Very high	94.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	162.2	-62.8	126.3	0	0	0	107.9	I20 L25 F28 V55 I56 E57 F64 A99 Y107	I20-I62 HydrophobicContact CD1-CD1 3.42Å; I20-I62 VanDerWaalsContact CD1-CD1 3.42Å; I20-I62 HydrophobicContact CD1-CG1 4Å; I20-I62 HydrophobicContact CD1-CG2 4.26Å; L25-I62 HydrophobicContact CD2-CG2 3.77Å; F28-I62 HydrophobicContact CE2-CD1 4.04Å; V55-I62 HydrophobicContact CG1-CG2 3.97Å; I56-I62 CarbonylContact O-C 3.58Å; I56-I62 WeakPolarHBondContact O-CA 3.13Å; E57-I62 HydrophobicContact CB-CG1 4.12Å; E57-I62 HydrophobicContact CG-CG1 3.88Å; I62-F64 HydrophobicContact CG2-CD1 4.3Å; I62-A99 HydrophobicContact CB-CB 4.44Å; I62-A99 PolarHBondContact N-O 3.03Å; I62-A99 PolarHBondContact O-N 3.06Å; I62-Y107 HydrophobicContact CD1-CD1 4.39Å; I62-Y107 HydrophobicContact CD1-CE1 3.59Å
63	T	96.4	Very high	94.7	Very high	43 Å²	43	48 Å²	48	26%	0.264	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.5	175.1	57.9	0	0	0	0	110.4	V55 I56 V97 I98	V55-T63 CarbonylContact C-O 3.53Å; V55-T63 WeakPolarHBondContact CA-O 3.48Å; I56-T63 PolarHBondContact N-O 2.82Å; I56-T63 PolarHBondContact O-N 2.85Å; T63-V97 VanDerWaalsContact CA-O 3.24Å; T63-V97 WeakPolarHBondContact CA-O 3.34Å; T63-I98 HydrophobicContact CG2-CB 4.16Å; T63-I98 HydrophobicContact CG2-CD1 4.27Å; T63-I98 HydrophobicContact CG2-CG1 3.97Å
64	F	97.5	Very high	94.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.6	176.4	58.6	-89.8	0	0	0	110.4	L25 F28 A29 Y52 F53 V55 I62 L66 V97	L25-F64 HydrophobicContact CD2-CD1 4.04Å; L25-F64 HydrophobicContact CD2-CE1 4.25Å; F28-F64 HydrophobicContact CB-CE1 3.8Å; F28-F64 HydrophobicContact CB-CZ 3.76Å; F28-F64 HydrophobicContact CD2-CE1 4.4Å; A29-F64 HydrophobicContact CB-CE2 4.05Å; A29-F64 HydrophobicContact CB-CZ 4.26Å; Y52-F64 HydrophobicContact CG-CD2 4.48Å; F53-F64 WeakPolarHBondContact O-CB 3.4Å; V55-F64 HydrophobicContact CG2-CB 3.99Å; I62-F64 HydrophobicContact CG2-CD1 4.3Å; F64-L66 HydrophobicContact CE2-CB 4.31Å; F64-V97 HydrophobicContact CD1-CB 4.2Å; F64-V97 HydrophobicContact CD1-CG1 4.43Å; F64-V97 HydrophobicContact CD2-CB 3.98Å; F64-V97 HydrophobicContact CD2-CG2 4.2Å; F64-V97 HydrophobicContact CE1-CB 3.81Å; F64-V97 HydrophobicContact CE1-CG1 3.62Å; F64-V97 HydrophobicContact CE2-CB 3.58Å; F64-V97 HydrophobicContact CE2-CG1 4Å; F64-V97 HydrophobicContact CE2-CG2 3.63Å; F64-V97 HydrophobicContact CG-CB 4.29Å; F64-V97 HydrophobicContact CZ-CB 3.5Å; F64-V97 VanDerWaalsContact CZ-CB 3.5Å; F64-V97 HydrophobicContact CZ-CG1 3.38Å; F64-V97 HydrophobicContact CZ-CG2 3.91Å; F64-V97 PolarHBondContact N-O 2.95Å; F64-V97 VanDerWaalsContact N-O 3.1Å; F64-V97 PolarHBondContact O-N 2.9Å
65	D	97	Very high	94.4	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.7	171.9	-61.5	-46.6	0	0	0	109.4	Y52 F53 K96	Y52-D65 CarbonylContact C-O 3.59Å; Y52-D65 WeakPolarHBondContact CA-O 3.49Å; Y52-D65 WeakPolarHBondContact CB-O 3.5Å; F53-D65 HydrophobicContact CD1-CB 4.49Å; F53-D65 HydrophobicContact CD2-CB 4.1Å; F53-D65 HydrophobicContact CE1-CB 4.12Å; F53-D65 HydrophobicContact CE2-CB 3.69Å; F53-D65 HydrophobicContact CG-CB 4.49Å; F53-D65 HydrophobicContact CZ-CB 3.7Å; F53-D65 PolarHBondContact N-O 2.87Å; F53-D65 PolarHBondContact O-N 2.78Å; D65-K96 IonicContact OD1-NZ 2.68Å; D65-K96 PolarHBondContact OD1-NZ 3.21Å; D65-K96 IonicContact OD2-NZ 3.92Å
66	L	97.6	Very high	93.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132	-176.8	169.7	66.5	0	0	0	109.1	A29 A32 V33 V49 F64 Q94 H95 V97	A29-L66 HydrophobicContact CB-CD1 3.99Å; A32-L66 HydrophobicContact CB-CD2 3.6Å; V33-L66 HydrophobicContact CG2-CD1 4.42Å; V33-L66 HydrophobicContact CG2-CD2 4Å; V49-L66 HydrophobicContact CG1-CD1 3.96Å; V49-L66 HydrophobicContact CG2-CD1 4.35Å; F64-L66 HydrophobicContact CE2-CB 4.31Å; L66-Q94 WeakPolarHBondContact O-CA 3.29Å; L66-H95 HydrophobicContact CB-CB 4.41Å; L66-H95 PolarHBondContact N-O 2.95Å; L66-H95 PolarHBondContact O-N 2.98Å; L66-V97 HydrophobicContact CB-CG2 3.66Å; L66-V97 HydrophobicContact CD2-CG2 3.78Å; L66-V97 HydrophobicContact CG-CG2 4.38Å
67	I	96.2	Very high	93.2	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.9	165.6	-55.3	-173.7	0	0	0	107.7	F50 R51 F53 V92 L126 L128	F50-I67 HydrophobicContact CB-CB 4.47Å; F50-I67 HydrophobicContact CB-CG2 4.21Å; F50-I67 WeakPolarHBondContact CB-O 3.45Å; F50-I67 HydrophobicContact CD1-CB 4.25Å; F50-I67 HydrophobicContact CD1-CG2 3.95Å; F50-I67 PolarHBondContact N-O 3.39Å; R51-I67 HydrophobicContact CG-CB 4.11Å; R51-I67 HydrophobicContact CG-CD1 3.93Å; R51-I67 HydrophobicContact CG-CG1 4.09Å; R51-I67 PolarHBondContact N-O 2.83Å; R51-I67 PolarHBondContact O-N 3.39Å; F53-I67 HydrophobicContact CE1-CD1 3.92Å; F53-I67 HydrophobicContact CE1-CG1 3.97Å; I67-V92 HydrophobicContact CG2-CB 4.11Å; I67-V92 HydrophobicContact CG2-CG1 4.23Å; I67-L126 HydrophobicContact CD1-CD1 3.81Å; I67-L126 HydrophobicContact CD1-CD2 4.16Å; I67-L126 HydrophobicContact CG2-CD1 3.74Å; I67-L128 HydrophobicContact CD1-CD2 4.01Å
68	A	96.6	Very high	92.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	169.9	0	0	0	0	0	108.7	V33 I36 F47 K48 V92 L93	V33-A68 HydrophobicContact CG2-CB 3.97Å; I36-A68 HydrophobicContact CD1-CB 3.81Å; F47-A68 HydrophobicContact CB-CB 4.22Å; F47-A68 HydrophobicContact CD1-CB 4.02Å; K48-A68 WeakPolarHBondContact O-CA 3.37Å; A68-V92 CarbonylContact O-C 3.58Å; A68-V92 VanDerWaalsContact O-CA 3.28Å; A68-V92 WeakPolarHBondContact O-CA 3.39Å; A68-L93 HydrophobicContact CB-CB 4.44Å; A68-L93 PolarHBondContact N-O 2.89Å; A68-L93 PolarHBondContact O-N 3.37Å
69	V	96.2	Very high	92.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	178	65.3	0	0	0	0	110	F47 K48 F50 V92 L123	F47-V69 VanDerWaalsContact CA-O 3.26Å; F47-V69 WeakPolarHBondContact CA-O 3.47Å; F47-V69 VanDerWaalsContact CD1-C 3.48Å; K48-V69 HydrophobicContact CG-CG1 3.68Å; K48-V69 PolarHBondContact N-O 2.85Å; K48-V69 PolarHBondContact O-N 3.33Å; F50-V69 HydrophobicContact CB-CB 4.06Å; F50-V69 HydrophobicContact CB-CG1 3.89Å; V69-V92 HydrophobicContact CB-CG1 4.29Å; V69-V92 HydrophobicContact CG2-CG1 4.12Å; V69-L123 HydrophobicContact CG2-CB 4.39Å; V69-L123 HydrophobicContact CG2-CD1 4.45Å; V69-L123 HydrophobicContact CG2-CD2 4.37Å
70	Q	96.3	Very high	91.9	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.3	174.3	-167.1	178.2	-87.6	0	0	110.1	K45 F47 S86 S90 P91	K45-Q70 HydrophobicContact CB-CG 3.49Å; K45-Q70 VanDerWaalsContact CB-CG 3.49Å; K45-Q70 HydrophobicContact CG-CG 4.09Å; F47-Q70 HydrophobicContact CD1-CB 4.21Å; F47-Q70 HydrophobicContact CE1-CB 3.68Å; F47-Q70 HydrophobicContact CE1-CG 4.37Å; F47-Q70 HydrophobicContact CE2-CB 4.34Å; F47-Q70 HydrophobicContact CE2-CG 4.14Å; F47-Q70 HydrophobicContact CZ-CB 3.76Å; F47-Q70 HydrophobicContact CZ-CG 3.96Å; Q70-S86 WeakPolarHBondContact O-CB 3.44Å; Q70-S90 WeakPolarHBondContact O-CB 3.41Å; Q70-P91 HydrophobicContact CB-CB 4.36Å; Q70-P91 WeakPolarHBondContact CB-O 3.48Å; Q70-P91 PolarHBondContact N-O 2.72Å
71	T	95.6	Very high	91.4	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	172.4	178.6	73.4	0	0	0	0	111.6	L46 K48 C73 C84 E85	L46-T71 WeakPolarHBondContact O-CB 3.34Å; L46-T71 WeakPolarHBondContact O-CG2 3.49Å; L46-T71 PolarHBondContact O-N 3.47Å; L46-T71 PolarHBondContact O-OG1 3.24Å; K48-T71 HydrophobicContact CB-CG2 4.14Å; K48-T71 HydrophobicContact CD-CG2 3.81Å; K48-T71 HydrophobicContact CG-CG2 3.75Å; T71-C73 VanDerWaalsContact C-N 3.28Å; T71-C73 PolarHBondContact O-N 2.87Å; T71-C73 PolarHBondContact OG1-N 2.89Å; T71-C84 HydrophobicContact CG2-CB 3.83Å; T71-C84 WeakPolarHBondContact OG1-CB 3.26Å; T71-E85 CarbonylContact C-O 3.59Å; T71-E85 VanDerWaalsContact CA-O 3.22Å; T71-E85 WeakPolarHBondContact CA-O 3.18Å; T71-E85 WeakPolarHBondContact CB-O 3.35Å
72	S	93.8	Very high	90.8	Very high	73 Å²	73	53.8 Å²	53.8	51%	0.51	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-23.5	173.7	59.6	0	0	0	0	113.6	K45 E85	K45-S72 PolarHBondContact NZ-O 2.81Å; S72-E85 PolarHBondContact N-O 2.73Å
73	C	94.8	Very high	90.4	Very high	20 Å²	20	60.5 Å²	60.5	14%	0.135	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	143.9	-175.3	-69.1	0	0	0	0	113.5	K45 L46 T71 C84	K45-C73 CarbonylContact C-O 3.6Å; K45-C73 VanDerWaalsContact CA-O 3.29Å; K45-C73 WeakPolarHBondContact CA-O 3.39Å; K45-C73 WeakPolarHBondContact CD-O 3.36Å; L46-C73 HydrophobicContact CB-CB 4.31Å; L46-C73 HydrophobicContact CD1-CB 3.91Å; L46-C73 HydrophobicContact CG-CB 4.46Å; L46-C73 PolarHBondContact N-O 3.22Å; T71-C73 VanDerWaalsContact C-N 3.28Å; T71-C73 PolarHBondContact O-N 2.87Å; T71-C73 PolarHBondContact OG1-N 2.89Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 3.25Å; C73-C84 VanDerWaalsContact SG-CA 3.5Å; C73-C84 WeakPolarHBondContact SG-CB 3.12Å; C73-C84 CovalentContact SG-SG 2.02Å; C73-C84 PolarHBondContact SG-SG 2.88Å
74	Q	92.9	Very high	90.2	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.7	175.4	-71.2	-178	-28	0	0	112.3	D44 K45 K77	D44-Q74 CarbonylContact O-C 3.48Å; D44-Q74 WeakPolarHBondContact O-CA 3.47Å; K45-Q74 HydrophobicContact CD-CG 4.47Å; Q74-K77 HydrophobicContact CB-CG 4.17Å
75	K	91.5	Very high	90	Very high	43 Å²	43	65 Å²	65	19%	0.187	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	151	166.3	-70.9	-176.1	-179.1	171.8	0	111.1	N37 D39 S42 G43 D44 K45 L46 K77	N37-K75 WeakPolarHBondContact O-CD 3.45Å; N37-K75 VanDerWaalsContact O-CE 3.25Å; N37-K75 WeakPolarHBondContact O-CE 3.25Å; D39-K75 PolarHBondContact O-NZ 3.11Å; S42-K75 WeakPolarHBondContact OG-CE 3.06Å; S42-K75 PolarHBondContact OG-NZ 3.31Å; G43-K75 VanDerWaalsContact O-CD 3.26Å; G43-K75 WeakPolarHBondContact O-CD 3.36Å; G43-K75 WeakPolarHBondContact O-CE 3.32Å; G43-K75 PolarHBondContact O-NZ 3.43Å; D44-K75 PolarHBondContact O-N 3.31Å; K45-K75 VanDerWaalsContact O-CE 3.25Å; K45-K75 WeakPolarHBondContact O-CE 3.33Å; L46-K75 HydrophobicContact CD2-CG 3.9Å; L46-K75 HydrophobicContact CG-CG 4.34Å; K75-K77 PolarHBondContact O-N 3.29Å
76	G	82.1	Confident	89.7	Confident	85 Å²	85	64.6 Å²	64.6	88%	0.876	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-5.8	177.4	0	0	0	0	0	115.4
77	K	82.4	Confident	89.3	Confident	132 Å²	132	67 Å²	67	57%	0.574	36%	0.362	S	S	*	.	S	Bend	trans	-85.3	139.9	167.7	-59	-61.6	-176.2	-177.6	0	109.3	Q74 K75 V79	Q74-K77 HydrophobicContact CB-CG 4.17Å; K75-K77 PolarHBondContact O-N 3.29Å; K77-V79 HydrophobicContact CB-CG2 3.66Å; K77-V79 PolarHBondContact O-N 2.87Å
78	R	78	Confident	89	Confident	264 Å²	264	68.1 Å²	68.1	100%	0.996	38%	0.375	S	S	*	.			trans	-74.2	81	169.8	-70.9	-175.5	179.1	174.2	-0.2	108.4
79	V	80.7	Confident	88.7	Confident	59 Å²	59	72.4 Å²	72.4	36%	0.358	41%	0.405	S	S	.	.			trans	-121.4	142.2	176.2	-171.7	0	0	0	0	107.6	K77 V81	K77-V79 HydrophobicContact CB-CG2 3.66Å; K77-V79 PolarHBondContact O-N 2.87Å; V79-V81 PolarHBondContact O-N 3.31Å
80	D	83.5	Confident	88.7	Confident	89 Å²	89	73.1 Å²	73.1	48%	0.476	41%	0.409	S	S	.	.			trans	-72	117.7	168.3	-170.6	-29.9	0	0	0	108.4	S82 E83	D80-S82 PolarHBondContact O-N 3.16Å; D80-S82 VanDerWaalsContact OD1-CB 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.48Å; D80-S82 PolarHBondContact OD1-N 3.41Å; D80-S82 PolarHBondContact OD1-OG 3.4Å; D80-S82 PolarHBondContact OD2-OG 2.86Å; D80-E83 HydrophobicContact CB-CG 4.07Å; D80-E83 WeakPolarHBondContact O-CB 3.48Å; D80-E83 PolarHBondContact O-N 2.62Å
81	V	81.3	Confident	88.6	Confident	41 Å²	41	72.3 Å²	72.3	25%	0.248	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.7	-179.5	176.8	0	0	0	0	111.6	L46 K48 V79 E83 C84	L46-V81 HydrophobicContact CD1-CG2 4.16Å; K48-V81 HydrophobicContact CB-CG1 3.61Å; V79-V81 PolarHBondContact O-N 3.31Å; V81-E83 VanDerWaalsContact C-N 3.28Å; V81-E83 PolarHBondContact O-N 3.36Å; V81-C84 WeakPolarHBondContact O-CB 3.42Å; V81-C84 PolarHBondContact O-N 2.83Å
82	S	81.3	Confident	88.6	Confident	90 Å²	90	72.1 Å²	72.1	63%	0.629	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.7	176.8	69.4	0	0	0	0	113.6	D80 C84	D80-S82 PolarHBondContact O-N 3.16Å; D80-S82 VanDerWaalsContact OD1-CB 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.48Å; D80-S82 PolarHBondContact OD1-N 3.41Å; D80-S82 PolarHBondContact OD1-OG 3.4Å; D80-S82 PolarHBondContact OD2-OG 2.86Å; S82-C84 VanDerWaalsContact C-N 3.3Å
83	E	87	Confident	88.7	Confident	141 Å²	141	68.8 Å²	68.8	66%	0.659	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-84.5	-6.6	175.8	-61.9	-179.9	174.2	0	0	112.6	D80 V81 E85	D80-E83 HydrophobicContact CB-CG 4.07Å; D80-E83 WeakPolarHBondContact O-CB 3.48Å; D80-E83 PolarHBondContact O-N 2.62Å; V81-E83 VanDerWaalsContact C-N 3.28Å; V81-E83 PolarHBondContact O-N 3.36Å; E83-E85 PolarHBondContact O-N 2.9Å
84	C	92.3	Very high	88.7	Confident	1 Å²	1	72 Å²	72	1%	0.007	40%	0.396	C	S	.	.			trans	-82.7	118.7	-175.8	-62.9	0	0	0	0	111.6	K48 T71 C73 V81 S82	K48-C84 PolarHBondContact NZ-O 3.41Å; T71-C84 HydrophobicContact CG2-CB 3.83Å; T71-C84 WeakPolarHBondContact OG1-CB 3.26Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 3.25Å; C73-C84 VanDerWaalsContact SG-CA 3.5Å; C73-C84 WeakPolarHBondContact SG-CB 3.12Å; C73-C84 CovalentContact SG-SG 2.02Å; C73-C84 PolarHBondContact SG-SG 2.88Å; V81-C84 WeakPolarHBondContact O-CB 3.42Å; V81-C84 PolarHBondContact O-N 2.83Å; S82-C84 VanDerWaalsContact C-N 3.3Å
85	E	92.2	Very high	88.9	Confident	138 Å²	138	67.9 Å²	67.9	65%	0.645	38%	0.376	S	S	*	.			trans	-73.4	148.6	-179.3	-65.4	-60.8	163.3	0	0	112.8	T71 S72 E83	T71-E85 CarbonylContact C-O 3.59Å; T71-E85 VanDerWaalsContact CA-O 3.22Å; T71-E85 WeakPolarHBondContact CA-O 3.18Å; T71-E85 WeakPolarHBondContact CB-O 3.35Å; S72-E85 PolarHBondContact N-O 2.73Å; E83-E85 PolarHBondContact O-N 2.9Å
86	S	91.3	Very high	89.2	Confident	38 Å²	38	71.2 Å²	71.2	27%	0.266	39%	0.391	S	S	.	.			trans	-138	144.4	173.1	55.8	0	0	0	0	109.1	K48 Q70	K48-S86 VanDerWaalsContact CE-OG 3.25Å; K48-S86 WeakPolarHBondContact CE-OG 3.49Å; K48-S86 PolarHBondContact NZ-OG 3.33Å; Q70-S86 WeakPolarHBondContact O-CB 3.44Å
87	S	89.9	Confident	90	Very high	54 Å²	54	67.2 Å²	67.2	38%	0.378	35%	0.349	S	S	.	.			trans	-112.4	170.1	178.4	67	0	0	0	0	111.8	S89 S90	S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 PolarHBondContact OG-N 2.91Å; S87-S89 PolarHBondContact OG-OG 3.2Å; S87-S90 PolarHBondContact N-OG 2.65Å; S87-S90 WeakPolarHBondContact O-CB 3.39Å; S87-S90 PolarHBondContact O-N 3.37Å; S87-S90 PolarHBondContact O-OG 2.9Å; S87-S90 VanDerWaalsContact O-OG 3.13Å; S87-S90 PolarHBondContact OG-N 2.79Å; S87-S90 PolarHBondContact OG-OG 2.78Å; S87-S90 VanDerWaalsContact OG-OG 3.14Å
88	G	88.9	Confident	90.6	Very high	27 Å²	27	64 Å²	64	28%	0.278	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.4	170.9	0	0	0	0	0	113.8	S90 T122 L123 S124	G88-S90 VanDerWaalsContact C-N 3.29Å; G88-S90 PolarHBondContact O-N 2.88Å; G88-T122 WeakPolarHBondContact O-CB 3.5Å; G88-T122 PolarHBondContact O-OG1 2.96Å; G88-L123 CarbonylContact O-C 3.51Å; G88-L123 WeakPolarHBondContact O-CB 3.43Å; G88-L123 PolarHBondContact O-N 3.37Å; G88-S124 VanDerWaalsContact C-OG 3.27Å; G88-S124 WeakPolarHBondContact CA-OG 3.42Å; G88-S124 WeakPolarHBondContact O-CB 3.37Å; G88-S124 PolarHBondContact O-N 2.71Å; G88-S124 PolarHBondContact O-OG 2.8Å
89	S	91.9	Very high	91.5	Very high	90 Å²	90	51.5 Å²	51.5	63%	0.629	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	3.8	177.5	66.6	0	0	0	0	114.1	S87 T122	S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 PolarHBondContact OG-N 2.91Å; S87-S89 PolarHBondContact OG-OG 3.2Å; S89-T122 WeakPolarHBondContact O-CG2 3.11Å
90	S	94.4	Very high	92.2	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.098	29%	0.287	C	S	.	.	S	Bend	trans	-74.4	132	-179.1	-63.3	0	0	0	0	110.2	Q70 S87 G88 T122 L123	Q70-S90 WeakPolarHBondContact O-CB 3.41Å; S87-S90 PolarHBondContact N-OG 2.65Å; S87-S90 WeakPolarHBondContact O-CB 3.39Å; S87-S90 PolarHBondContact O-N 3.37Å; S87-S90 PolarHBondContact O-OG 2.9Å; S87-S90 VanDerWaalsContact O-OG 3.13Å; S87-S90 PolarHBondContact OG-N 2.79Å; S87-S90 PolarHBondContact OG-OG 2.78Å; S87-S90 VanDerWaalsContact OG-OG 3.14Å; G88-S90 VanDerWaalsContact C-N 3.29Å; G88-S90 PolarHBondContact O-N 2.88Å; S90-T122 CarbonylContact O-C 3.54Å; S90-T122 VanDerWaalsContact O-CA 3.27Å; S90-T122 WeakPolarHBondContact O-CA 3.34Å; S90-L123 PolarHBondContact O-N 3.07Å
91	P	95.4	Very high	92.6	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-56.3	150.2	175	-25.9	33.8	0	0	0	112.3	Q70 P117 E121	Q70-P91 HydrophobicContact CB-CB 4.36Å; Q70-P91 WeakPolarHBondContact CB-O 3.48Å; Q70-P91 PolarHBondContact N-O 2.72Å; P91-P117 HydrophobicContact CB-CB 3.75Å; P91-E121 CarbonylContact C-O 3.58Å; P91-E121 VanDerWaalsContact CA-O 3.31Å; P91-E121 WeakPolarHBondContact CA-O 3.29Å
92	V	95.7	Very high	93.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.8	177.9	-62.3	0	0	0	0	111.2	I67 A68 V69 E121 L123 L126	I67-V92 HydrophobicContact CG2-CB 4.11Å; I67-V92 HydrophobicContact CG2-CG1 4.23Å; A68-V92 CarbonylContact O-C 3.58Å; A68-V92 VanDerWaalsContact O-CA 3.28Å; A68-V92 WeakPolarHBondContact O-CA 3.39Å; V69-V92 HydrophobicContact CB-CG1 4.29Å; V69-V92 HydrophobicContact CG2-CG1 4.12Å; V92-E121 HydrophobicContact CG2-CB 4.17Å; V92-E121 WeakPolarHBondContact CG2-O 3.13Å; V92-E121 PolarHBondContact N-O 2.72Å; V92-L123 HydrophobicContact CG1-CB 4.24Å; V92-L123 HydrophobicContact CG1-CD1 4.3Å; V92-L126 HydrophobicContact CB-CD1 4.42Å; V92-L126 HydrophobicContact CG1-CD1 3.98Å; V92-L126 HydrophobicContact CG2-CD1 4.16Å; V92-L126 HydrophobicContact CG2-CD2 4.11Å; V92-L126 HydrophobicContact CG2-CG 4.21Å
93	L	95.9	Very high	93.4	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.8	169.6	-64.6	177.4	0	0	0	108.8	I36 F47 A68 P114 M115 P117	I36-L93 HydrophobicContact CG2-CD1 3.68Å; F47-L93 HydrophobicContact CD1-CD1 4.12Å; F47-L93 HydrophobicContact CD1-CG 4.27Å; F47-L93 HydrophobicContact CE1-CB 4.34Å; F47-L93 HydrophobicContact CE1-CD1 3.66Å; F47-L93 HydrophobicContact CE1-CG 3.61Å; F47-L93 HydrophobicContact CE2-CD1 4.21Å; F47-L93 HydrophobicContact CZ-CD1 3.71Å; F47-L93 HydrophobicContact CZ-CG 3.99Å; A68-L93 HydrophobicContact CB-CB 4.44Å; A68-L93 PolarHBondContact N-O 2.89Å; A68-L93 PolarHBondContact O-N 3.37Å; L93-P114 HydrophobicContact CD2-CG 4.25Å; L93-P114 WeakPolarHBondContact CD2-O 3.25Å; L93-M115 WeakPolarHBondContact CD1-O 3.46Å; L93-P117 HydrophobicContact CD2-CB 4.16Å
94	Q	95.1	Very high	93.3	Very high	89 Å²	89	50.4 Å²	50.4	42%	0.416	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.7	178.5	-60.6	-177.5	61.6	0	0	109.4	L66 P114 E121	L66-Q94 WeakPolarHBondContact O-CA 3.29Å; Q94-P114 WeakPolarHBondContact O-CD 3.27Å; Q94-E121 PolarHBondContact NE2-OE2 2.97Å
95	H	97	Very high	92.9	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.5	-178.5	-76.8	-125	0	0	0	110.9	L66 S111 T112 P114	L66-H95 HydrophobicContact CB-CB 4.41Å; L66-H95 PolarHBondContact N-O 2.95Å; L66-H95 PolarHBondContact O-N 2.98Å; H95-S111 PolarHBondContact ND1-OG 3.04Å; H95-T112 CarbonylContact C-O 3.57Å; H95-T112 WeakPolarHBondContact CA-O 3.5Å; H95-P114 PolarHBondContact NE2-O 2.78Å
96	K	97.5	Very high	92.6	Very high	114 Å²	114	48 Å²	48	50%	0.496	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.1	159.8	-171.2	169.1	-62.1	-59.5	0	109	D65 S111 T112	D65-K96 IonicContact OD1-NZ 2.68Å; D65-K96 PolarHBondContact OD1-NZ 3.21Å; D65-K96 IonicContact OD2-NZ 3.92Å; K96-S111 CarbonylContact O-C 3.54Å; K96-S111 VanDerWaalsContact O-CA 3.26Å; K96-S111 WeakPolarHBondContact O-CA 3.33Å; K96-T112 PolarHBondContact N-O 2.87Å; K96-T112 PolarHBondContact O-N 3.49Å
97	V	97.5	Very high	92.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139	178.3	-176.1	0	0	0	0	109.6	A32 T63 F64 L66 V109 A110	A32-V97 HydrophobicContact CB-CG1 4.24Å; A32-V97 HydrophobicContact CB-CG2 3.7Å; T63-V97 VanDerWaalsContact CA-O 3.24Å; T63-V97 WeakPolarHBondContact CA-O 3.34Å; F64-V97 HydrophobicContact CD1-CB 4.2Å; F64-V97 HydrophobicContact CD1-CG1 4.43Å; F64-V97 HydrophobicContact CD2-CB 3.98Å; F64-V97 HydrophobicContact CD2-CG2 4.2Å; F64-V97 HydrophobicContact CE1-CB 3.81Å; F64-V97 HydrophobicContact CE1-CG1 3.62Å; F64-V97 HydrophobicContact CE2-CB 3.58Å; F64-V97 HydrophobicContact CE2-CG1 4Å; F64-V97 HydrophobicContact CE2-CG2 3.63Å; F64-V97 HydrophobicContact CG-CB 4.29Å; F64-V97 HydrophobicContact CZ-CB 3.5Å; F64-V97 VanDerWaalsContact CZ-CB 3.5Å; F64-V97 HydrophobicContact CZ-CG1 3.38Å; F64-V97 HydrophobicContact CZ-CG2 3.91Å; F64-V97 PolarHBondContact N-O 2.95Å; F64-V97 VanDerWaalsContact N-O 3.1Å; F64-V97 PolarHBondContact O-N 2.9Å; L66-V97 HydrophobicContact CB-CG2 3.66Å; L66-V97 HydrophobicContact CD2-CG2 3.78Å; L66-V97 HydrophobicContact CG-CG2 4.38Å; V97-V109 HydrophobicContact CG1-CG1 3.76Å; V97-A110 WeakPolarHBondContact CA-O 3.39Å
98	I	96.7	Very high	92.8	Very high	66 Å²	66	46.9 Å²	46.9	34%	0.338	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.5	171.7	-177.4	167.7	0	0	0	109.9	A61 T63 V109 A110	A61-I98 HydrophobicContact CB-CD1 4.31Å; A61-I98 HydrophobicContact CB-CG1 4.12Å; T63-I98 HydrophobicContact CG2-CB 4.16Å; T63-I98 HydrophobicContact CG2-CD1 4.27Å; T63-I98 HydrophobicContact CG2-CG1 3.97Å; I98-V109 WeakPolarHBondContact O-CA 3.46Å; I98-A110 HydrophobicContact CG2-CB 3.95Å; I98-A110 PolarHBondContact N-O 3.44Å; I98-A110 PolarHBondContact O-N 2.94Å
99	A	96	Very high	93.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	102	169.9	0	0	0	0	0	109	F28 A61 I62 Y107 S108 V109	F28-A99 HydrophobicContact CB-CB 4.48Å; F28-A99 HydrophobicContact CD1-CB 4.14Å; F28-A99 HydrophobicContact CD2-CB 3.45Å; F28-A99 VanDerWaalsContact CD2-CB 3.45Å; F28-A99 HydrophobicContact CE1-CB 4.2Å; F28-A99 HydrophobicContact CE2-CB 3.52Å; F28-A99 HydrophobicContact CG-CB 3.78Å; F28-A99 HydrophobicContact CZ-CB 3.91Å; A61-A99 CarbonylContact C-O 3.53Å; A61-A99 WeakPolarHBondContact CA-O 3.43Å; A61-A99 WeakPolarHBondContact CB-O 3.49Å; I62-A99 HydrophobicContact CB-CB 4.44Å; I62-A99 PolarHBondContact N-O 3.03Å; I62-A99 PolarHBondContact O-N 3.06Å; A99-Y107 HydrophobicContact CB-CD1 4.17Å; A99-S108 CarbonylContact C-O 3.5Å; A99-S108 WeakPolarHBondContact CA-O 2.92Å; A99-V109 HydrophobicContact CB-CG2 4.32Å
100	T	94.9	Very high	93.3	Very high	45 Å²	45	42.1 Å²	42.1	28%	0.276	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.5	-179	-56.4	0	0	0	0	110.7	K102 Y107 S108	T100-K102 PolarHBondContact O-N 3.37Å; T100-Y107 WeakPolarHBondContact O-CA 3.49Å; T100-S108 PolarHBondContact N-O 3.24Å; T100-S108 PolarHBondContact O-N 2.02Å
101	K	92.3	Very high	93.3	Very high	61 Å²	61	41.6 Å²	41.6	27%	0.265	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.3	173.3	-69.9	170.8	176.3	172.6	0	109.5	E57 T58 D59 K60 Y107	E57-K101 IonicContact OE1-NZ 2.78Å; E57-K101 PolarHBondContact OE1-NZ 2.82Å; T58-K101 PolarHBondContact O-NZ 3.34Å; D59-K101 WeakPolarHBondContact O-CD 3.34Å; K60-K101 WeakPolarHBondContact O-CB 3.26Å; K60-K101 PolarHBondContact O-N 2.86Å; K101-Y107 HydrophobicContact CB-CE1 4.25Å; K101-Y107 HydrophobicContact CD-CE1 4.2Å; K101-Y107 WeakPolarHBondContact CE-OH 3.38Å; K101-Y107 HydrophobicContact CG-CD1 3.96Å; K101-Y107 HydrophobicContact CG-CE1 3.21Å
102	K	91.4	Very high	93.2	Very high	101 Å²	101	43.6 Å²	43.6	44%	0.439	26%	0.255	S	S	.	.			trans	-113.3	158.4	174.9	-59.7	-61.3	-176.5	-177.8	0	109.9	T100 G104 G105 V106	T100-K102 PolarHBondContact O-N 3.37Å; K102-G104 PolarHBondContact O-N 3.18Å; K102-G105 PolarHBondContact O-N 3.03Å; K102-V106 WeakPolarHBondContact CA-O 3.31Å; K102-V106 HydrophobicContact CB-CB 4.36Å; K102-V106 WeakPolarHBondContact CB-O 3.28Å; K102-V106 PolarHBondContact N-O 3.33Å
103	P	87.9	Confident	93.2	Very high	127 Å²	127	44 Å²	44	83%	0.825	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	142.3	171.2	-25.8	35.2	0	0	0	111.5
104	G	86	Confident	93	Very high	63 Å²	63	46.8 Å²	46.8	65%	0.649	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	14.4	-178.2	0	0	0	0	0	115.2	C13 K102 V106	C13-G104 PolarHBondContact SG-O 3.03Å; K102-G104 PolarHBondContact O-N 3.18Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 3.24Å
105	G	83	Confident	92.9	Very high	38 Å²	38	42.6 Å²	42.6	39%	0.392	26%	0.258	S	S	.	.	S	Bend	trans	76.6	11.3	175.6	0	0	0	0	0	114.6	K102	K102-G105 PolarHBondContact O-N 3.03Å
106	V	86.5	Confident	92.6	Very high	50 Å²	50	47.8 Å²	47.8	30%	0.303	29%	0.286	S	S	.	.			trans	-85.9	153.2	177.8	-179.5	0	0	0	0	110.2	K102 G104	K102-V106 WeakPolarHBondContact CA-O 3.31Å; K102-V106 HydrophobicContact CB-CB 4.36Å; K102-V106 WeakPolarHBondContact CB-O 3.28Å; K102-V106 PolarHBondContact N-O 3.33Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 3.24Å
107	Y	92.2	Very high	92	Very high	42 Å²	42	43.6 Å²	43.6	17%	0.165	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.6	175	-68.6	-96.4	0	0	0	111.6	L24 F28 I62 A99 T100 K101	L24-Y107 HydrophobicContact CD2-CE2 4.17Å; F28-Y107 HydrophobicContact CE1-CD1 4.4Å; F28-Y107 HydrophobicContact CE1-CD2 4.26Å; F28-Y107 AromaticContact CE1-CG 3.86Å; F28-Y107 HydrophobicContact CE1-CG 3.86Å; F28-Y107 HydrophobicContact CE2-CD1 4.22Å; F28-Y107 HydrophobicContact CE2-CE1 4.47Å; F28-Y107 HydrophobicContact CE2-CG 4.41Å; F28-Y107 AromaticContact CZ-CD1 3.63Å; F28-Y107 HydrophobicContact CZ-CD1 3.63Å; F28-Y107 AromaticContact CZ-CD2 3.74Å; F28-Y107 HydrophobicContact CZ-CD2 3.74Å; F28-Y107 HydrophobicContact CZ-CE1 4.12Å; F28-Y107 HydrophobicContact CZ-CE2 4.24Å; F28-Y107 AromaticContact CZ-CG 3.41Å; F28-Y107 HydrophobicContact CZ-CG 3.41Å; F28-Y107 VanDerWaalsContact CZ-CG 3.41Å; I62-Y107 HydrophobicContact CD1-CD1 4.39Å; I62-Y107 HydrophobicContact CD1-CE1 3.59Å; A99-Y107 HydrophobicContact CB-CD1 4.17Å; T100-Y107 WeakPolarHBondContact O-CA 3.49Å; K101-Y107 HydrophobicContact CB-CE1 4.25Å; K101-Y107 HydrophobicContact CD-CE1 4.2Å; K101-Y107 WeakPolarHBondContact CE-OH 3.38Å; K101-Y107 HydrophobicContact CG-CD1 3.96Å; K101-Y107 HydrophobicContact CG-CE1 3.21Å
108	S	93	Very high	91.5	Very high	27 Å²	27	47.4 Å²	47.4	19%	0.189	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.7	164.9	177.4	0	0	0	0	108.3	A99 T100	A99-S108 CarbonylContact C-O 3.5Å; A99-S108 WeakPolarHBondContact CA-O 2.92Å; T100-S108 PolarHBondContact N-O 3.24Å; T100-S108 PolarHBondContact O-N 2.02Å
109	V	95.8	Very high	90.8	Very high	2 Å²	2	49 Å²	49	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.6	-177.6	-174.2	0	0	0	0	109.4	L7 F28 A31 V97 I98 A99	L7-V109 PolarHBondContact N-O 3.46Å; L7-V109 PolarHBondContact O-N 3.5Å; F28-V109 HydrophobicContact CB-CG1 4.44Å; F28-V109 HydrophobicContact CB-CG2 4.28Å; F28-V109 HydrophobicContact CD1-CG2 3.46Å; F28-V109 VanDerWaalsContact CD1-CG2 3.46Å; F28-V109 HydrophobicContact CE1-CG2 4.09Å; F28-V109 HydrophobicContact CG-CG2 4.09Å; A31-V109 HydrophobicContact CB-CB 4.27Å; A31-V109 HydrophobicContact CB-CG1 4.2Å; A31-V109 HydrophobicContact CB-CG2 4.34Å; V97-V109 HydrophobicContact CG1-CG1 3.76Å; I98-V109 WeakPolarHBondContact O-CA 3.46Å; A99-V109 HydrophobicContact CB-CG2 4.32Å
110	A	94.7	Very high	90.4	Very high	16 Å²	16	53.5 Å²	53.5	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.2	168.7	0	0	0	0	0	109.4	L5 V97 I98	L5-A110 WeakPolarHBondContact O-CA 2.96Å; L5-A110 WeakPolarHBondContact O-CB 3.22Å; V97-A110 WeakPolarHBondContact CA-O 3.39Å; I98-A110 HydrophobicContact CG2-CB 3.95Å; I98-A110 PolarHBondContact N-O 3.44Å; I98-A110 PolarHBondContact O-N 2.94Å
111	S	94.7	Very high	90.2	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.8	171.9	70.2	0	0	0	0	110.5	H95 K96	H95-S111 PolarHBondContact ND1-OG 3.04Å; K96-S111 CarbonylContact O-C 3.54Å; K96-S111 VanDerWaalsContact O-CA 3.26Å; K96-S111 WeakPolarHBondContact O-CA 3.33Å
112	T	94.5	Very high	90.2	Very high	64 Å²	64	53.1 Å²	53.1	39%	0.393	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.6	176.5	-56.6	0	0	0	0	108.7	V2 H95 K96	V2-T112 HydrophobicContact CG1-CG2 3.78Å; H95-T112 CarbonylContact C-O 3.57Å; H95-T112 WeakPolarHBondContact CA-O 3.5Å; K96-T112 PolarHBondContact N-O 2.87Å; K96-T112 PolarHBondContact O-N 3.49Å
113	G	93.8	Very high	90.1	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	175.8	-176	0	0	0	0	0	110.3
114	P	92.4	Very high	90.2	Very high	60 Å²	60	48 Å²	48	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.4	168.7	28.8	-31.7	0	0	0	109.7	L93 Q94 H95	L93-P114 HydrophobicContact CD2-CG 4.25Å; L93-P114 WeakPolarHBondContact CD2-O 3.25Å; Q94-P114 WeakPolarHBondContact O-CD 3.27Å; H95-P114 PolarHBondContact NE2-O 2.78Å
115	M	93	Very high	90.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	30%	0.303	C	S	.	.	S	Bend	trans	-93.5	-34.4	169.9	-71	-61	-172.5	0	0	111.9	A3 I36 D39 D41 S42 L93 P117	A3-M115 HydrophobicContact CB-CE 3.84Å; A3-M115 HydrophobicContact CB-CG 3.67Å; I36-M115 HydrophobicContact CG1-SD 4.21Å; D39-M115 HydrophobicContact CB-CE 4.24Å; D39-M115 HydrophobicContact CB-SD 4.11Å; D41-M115 HydrophobicContact CB-CB 3.84Å; S42-M115 WeakPolarHBondContact CA-O 3.21Å; S42-M115 VanDerWaalsContact CB-O 3.31Å; S42-M115 WeakPolarHBondContact CB-O 3.45Å; L93-M115 WeakPolarHBondContact CD1-O 3.46Å; M115-P117 WeakPolarHBondContact O-CD 3.34Å
116	D	91	Very high	90.4	Very high	115 Å²	115	48.4 Å²	48.4	62%	0.615	29%	0.291	S	S	*	.	S	Bend	trans	-78.7	117.2	179	-173.9	13.1	0	0	0	110.3	D118	D116-D118 PolarHBondContact O-N 3.14Å
117	P	85.3	Confident	89.8	Confident	26 Å²	26	53 Å²	53	17%	0.169	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-70.2	122.8	-179	27	-32.9	0	0	0	112.1	F47 P91 L93 M115 S119	F47-P117 HydrophobicContact CZ-CB 4.19Å; F47-P117 HydrophobicContact CZ-CG 4.35Å; P91-P117 HydrophobicContact CB-CB 3.75Å; L93-P117 HydrophobicContact CD2-CB 4.16Å; M115-P117 WeakPolarHBondContact O-CD 3.34Å; P117-S119 PolarHBondContact O-N 3.46Å
118	D	87.3	Confident	88.5	Confident	79 Å²	79	56.9 Å²	56.9	42%	0.422	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-74	119	169.3	-169.5	-31.2	0	0	0	109.5	D116 T120 E121	D116-D118 PolarHBondContact O-N 3.14Å; D118-T120 PolarHBondContact O-N 3.5Å; D118-T120 WeakPolarHBondContact OD1-CB 3.48Å; D118-T120 PolarHBondContact OD1-N 2.88Å; D118-T120 PolarHBondContact OD1-OG1 2.98Å; D118-T120 PolarHBondContact OD2-OG1 3.44Å; D118-E121 HydrophobicContact CB-CB 4.28Å; D118-E121 HydrophobicContact CB-CG 4.26Å; D118-E121 PolarHBondContact O-N 3.13Å
119	S	82.2	Confident	88.3	Confident	99 Å²	99	58.4 Å²	58.4	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.4	178.1	63.4	0	0	0	0	114.5	P117	P117-S119 PolarHBondContact O-N 3.46Å
120	T	87.6	Confident	87.9	Confident	96 Å²	96	61.4 Å²	61.4	59%	0.589	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-24.5	176.8	68.3	0	0	0	0	112.8	D118 T122	D118-T120 PolarHBondContact O-N 3.5Å; D118-T120 WeakPolarHBondContact OD1-CB 3.48Å; D118-T120 PolarHBondContact OD1-N 2.88Å; D118-T120 PolarHBondContact OD1-OG1 2.98Å; D118-T120 PolarHBondContact OD2-OG1 3.44Å; T120-T122 PolarHBondContact O-N 3.41Å
121	E	89.8	Confident	87.5	Confident	78 Å²	78	63.9 Å²	63.9	36%	0.364	38%	0.381	S	S	.	.			trans	-87.5	96.8	173.2	-68.5	-163.1	-169.5	0	0	109.7	P91 V92 Q94 D118	P91-E121 CarbonylContact C-O 3.58Å; P91-E121 VanDerWaalsContact CA-O 3.31Å; P91-E121 WeakPolarHBondContact CA-O 3.29Å; V92-E121 HydrophobicContact CG2-CB 4.17Å; V92-E121 WeakPolarHBondContact CG2-O 3.13Å; V92-E121 PolarHBondContact N-O 2.72Å; Q94-E121 PolarHBondContact NE2-OE2 2.97Å; D118-E121 HydrophobicContact CB-CB 4.28Å; D118-E121 HydrophobicContact CB-CG 4.26Å; D118-E121 PolarHBondContact O-N 3.13Å
122	T	92.6	Very high	87.1	Confident	19 Å²	19	67.5 Å²	67.5	12%	0.117	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-116.6	166.9	-179	65.9	0	0	0	0	111.9	G88 S89 S90 T120 S124 T125 L126	G88-T122 WeakPolarHBondContact O-CB 3.5Å; G88-T122 PolarHBondContact O-OG1 2.96Å; S89-T122 WeakPolarHBondContact O-CG2 3.11Å; S90-T122 CarbonylContact O-C 3.54Å; S90-T122 VanDerWaalsContact O-CA 3.27Å; S90-T122 WeakPolarHBondContact O-CA 3.34Å; T120-T122 PolarHBondContact O-N 3.41Å; T122-S124 PolarHBondContact O-N 3.2Å; T122-T125 PolarHBondContact N-OG1 3.15Å; T122-T125 PolarHBondContact O-N 3.47Å; T122-T125 PolarHBondContact O-OG1 2.8Å; T122-L126 PolarHBondContact O-N 3.25Å
123	L	89.8	Confident	86.7	Confident	29 Å²	29	67.8 Å²	67.8	15%	0.152	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.4	176.4	-169.7	62.3	0	0	0	113	F50 V69 G88 S90 V92 L126	F50-L123 HydrophobicContact CD1-CD1 3.56Å; F50-L123 HydrophobicContact CD2-CD1 3.7Å; F50-L123 HydrophobicContact CD2-CD2 4.37Å; F50-L123 HydrophobicContact CE1-CD1 3.43Å; F50-L123 VanDerWaalsContact CE1-CD1 3.43Å; F50-L123 HydrophobicContact CE2-CD1 3.58Å; F50-L123 HydrophobicContact CE2-CD2 4.06Å; F50-L123 HydrophobicContact CE2-CG 4.31Å; F50-L123 HydrophobicContact CG-CD1 3.7Å; F50-L123 HydrophobicContact CZ-CD1 3.43Å; F50-L123 VanDerWaalsContact CZ-CD1 3.43Å; F50-L123 HydrophobicContact CZ-CG 4.3Å; V69-L123 HydrophobicContact CG2-CB 4.39Å; V69-L123 HydrophobicContact CG2-CD1 4.45Å; V69-L123 HydrophobicContact CG2-CD2 4.37Å; G88-L123 CarbonylContact O-C 3.51Å; G88-L123 WeakPolarHBondContact O-CB 3.43Å; G88-L123 PolarHBondContact O-N 3.37Å; S90-L123 PolarHBondContact O-N 3.07Å; V92-L123 HydrophobicContact CG1-CB 4.24Å; V92-L123 HydrophobicContact CG1-CD1 4.3Å; L123-L126 HydrophobicContact CD1-CD1 3.97Å
124	S	88.9	Confident	86.2	Confident	92 Å²	92	71.6 Å²	71.6	64%	0.643	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.9	178.9	-73.5	0	0	0	0	114.3	G88 T122	G88-S124 VanDerWaalsContact C-OG 3.27Å; G88-S124 WeakPolarHBondContact CA-OG 3.42Å; G88-S124 WeakPolarHBondContact O-CB 3.37Å; G88-S124 PolarHBondContact O-N 2.71Å; G88-S124 PolarHBondContact O-OG 2.8Å; T122-S124 PolarHBondContact O-N 3.2Å
125	T	89.1	Confident	85.7	Confident	82 Å²	82	72.4 Å²	72.4	50%	0.503	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.1	176.5	55.7	0	0	0	0	112.5	T122 T127	T122-T125 PolarHBondContact N-OG1 3.15Å; T122-T125 PolarHBondContact O-N 3.47Å; T122-T125 PolarHBondContact O-OG1 2.8Å; T125-T127 PolarHBondContact O-N 3.02Å
126	L	84.8	Confident	85.2	Confident	28 Å²	28	77.9 Å²	77.9	15%	0.147	46%	0.458	C	S	.	.			trans	-67.3	117.5	174.1	-67	171.7	0	0	0	109.8	I67 V92 T122 L123 L128	I67-L126 HydrophobicContact CD1-CD1 3.81Å; I67-L126 HydrophobicContact CD1-CD2 4.16Å; I67-L126 HydrophobicContact CG2-CD1 3.74Å; V92-L126 HydrophobicContact CB-CD1 4.42Å; V92-L126 HydrophobicContact CG1-CD1 3.98Å; V92-L126 HydrophobicContact CG2-CD1 4.16Å; V92-L126 HydrophobicContact CG2-CD2 4.11Å; V92-L126 HydrophobicContact CG2-CG 4.21Å; T122-L126 PolarHBondContact O-N 3.25Å; L123-L126 HydrophobicContact CD1-CD1 3.97Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 HydrophobicContact CB-CD1 4.18Å; L126-L128 HydrophobicContact CB-CD2 3.8Å; L126-L128 HydrophobicContact CB-CG 3.65Å; L126-L128 HydrophobicContact CD1-CD2 4.17Å; L126-L128 PolarHBondContact O-N 2.9Å
127	T	73.8	Confident	84.7	Confident	146 Å²	146	74.8 Å²	74.8	90%	0.896	45%	0.445	S	S	*	.			trans	-76	86.5	167.2	54.5	0	0	0	0	108.2	T125	T125-T127 PolarHBondContact O-N 3.02Å
128	L	65.2	Low	84.6	Confident	124 Å²	124	79.3 Å²	79.3	65%	0.649	47%	0.47	S	S	*	.			trans	-87.6	0	-171.9	-66.5	171.3	0	0	0	114.9	F50 R51 I67 L126	F50-L128 HydrophobicContact CE1-CD1 3.53Å; F50-L128 HydrophobicContact CE1-CD2 4.11Å; F50-L128 HydrophobicContact CZ-CD1 3.76Å; R51-L128 PolarHBondContact NH1-OXT 3.47Å; I67-L128 HydrophobicContact CD1-CD2 4.01Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 HydrophobicContact CB-CD1 4.18Å; L126-L128 HydrophobicContact CB-CD2 3.8Å; L126-L128 HydrophobicContact CB-CG 3.65Å; L126-L128 HydrophobicContact CD1-CD2 4.17Å; L126-L128 PolarHBondContact O-N 2.9Å

Retrieved 128 of 128 residues in 69.7 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).