X5J4I7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4I7_MOUSE|X5J4I7
GGLVQPGGSRKLSCAASGFTFSSFGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAVYYCARSLPGIYYAMDYWGQGTSVTVSS
					

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	G	51.7	Low	81.6	Confident	97 Å²	97	68.5 Å²	68.5	100%	1	45%	0.453	S	S	*	.				0	144.6	0	0	0	0	0	0	108.1	S107	G1-S107 WeakPolarHBondContact CA-O 3.14Å
2	G	68	Low	82.9	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.4	-179.4	0	0	0	0	0	111	R10	G2-R10 PolarHBondContact O-NH1 3.23Å
3	L	75.3	Confident	84.1	Confident	122 Å²	122	64.6 Å²	64.6	64%	0.639	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.2	171	-160.2	88.2	0	0	0	109	T109 S111	L3-T109 HydrophobicContact CD1-CG2 4.22Å; L3-S111 VanDerWaalsContact CD1-OG 3.28Å; L3-S111 WeakPolarHBondContact CD1-OG 3.38Å
4	V	79.6	Confident	85	Confident	18 Å²	18	61.3 Å²	61.3	11%	0.109	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.1	174.2	-168.5	0	0	0	0	108.9	R10 L78 T109 V110 S111	V4-R10 HydrophobicContact CG2-CB 4.14Å; V4-R10 HydrophobicContact CG2-CG 4.44Å; V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG1-CD1 3.79Å; V4-L78 HydrophobicContact CG2-CD1 4.31Å; V4-T109 PolarHBondContact N-O 2.98Å; V4-V110 VanDerWaalsContact O-CA 3.29Å; V4-V110 WeakPolarHBondContact O-CA 3.46Å; V4-S111 PolarHBondContact O-N 2.78Å
5	Q	81.6	Confident	85.8	Confident	102 Å²	102	62.5 Å²	62.5	48%	0.477	42%	0.424	S	S	.	.			trans	-71.9	147.2	174	-75.1	-69.7	-22.9	0	0	110.7	G8 S111 S112	Q5-G8 WeakPolarHBondContact O-CA 3.32Å; Q5-G8 PolarHBondContact O-N 3.09Å; Q5-S111 PolarHBondContact OE1-O 3.42Å; Q5-S112 PolarHBondContact NE2-OXT 3.02Å; Q5-S112 PolarHBondContact OE1-OXT 3.1Å
6	P	83.9	Confident	86.3	Confident	67 Å²	67	59.4 Å²	59.4	44%	0.435	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	141.1	172.6	-25.4	34.5	0	0	0	111.8	G8 V110	P6-G8 PolarHBondContact O-N 3.07Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.17Å
7	G	83.9	Confident	86.7	Confident	56 Å²	56	60.6 Å²	60.6	58%	0.577	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-10.5	-172.6	0	0	0	0	0	114.5	L78	G7-L78 PolarHBondContact N-O 3.27Å
8	G	90.6	Very high	87	Confident	23 Å²	23	62 Å²	62	24%	0.237	44%	0.439	C	S	.	.			trans	-67	175.3	176.6	0	0	0	0	0	113.8	Q5 P6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.32Å; Q5-G8 PolarHBondContact O-N 3.09Å; P6-G8 PolarHBondContact O-N 3.07Å; G8-S77 PolarHBondContact O-N 3.07Å; G8-L78 PolarHBondContact O-N 2.99Å; G8-L78 VanDerWaalsContact O-N 3.12Å
9	S	93.3	Very high	87.2	Confident	76 Å²	76	60.4 Å²	60.4	53%	0.531	42%	0.423	S	S	.	.			trans	-126	150.2	175.6	70.7	0	0	0	0	111.2	M75	S9-M75 CarbonylContact C-O 3.47Å; S9-M75 WeakPolarHBondContact CA-O 3.08Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å
10	R	93.4	Very high	87.5	Confident	47 Å²	47	61.7 Å²	61.7	18%	0.177	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	140	175.8	-176.9	163.3	176.6	-149.3	-15.9	110.4	G2 V4 L12 M75 L78 S107	G2-R10 PolarHBondContact O-NH1 3.23Å; V4-R10 HydrophobicContact CG2-CB 4.14Å; V4-R10 HydrophobicContact CG2-CG 4.44Å; R10-L12 HydrophobicContact CG-CD2 4.19Å; R10-M75 HydrophobicContact CB-CE 3.74Å; R10-M75 HydrophobicContact CG-CE 4.01Å; R10-M75 PolarHBondContact N-O 3.32Å; R10-M75 WeakPolarHBondContact O-CB 3.4Å; R10-M75 PolarHBondContact O-N 2.02Å; R10-L78 HydrophobicContact CB-CD1 3.99Å; R10-S107 PolarHBondContact NH1-O 3.02Å; R10-S107 PolarHBondContact NH2-O 3.07Å
11	K	96.5	Very high	87.9	Confident	117 Å²	117	58.8 Å²	58.8	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.6	173	-167.7	173.3	178.1	177.6	0	109.5	F72 L73	K11-F72 HydrophobicContact CD-CD1 4.47Å; K11-F72 VanDerWaalsContact CE-CD1 3.42Å; K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å
12	L	97.4	Very high	90	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	149.1	169.1	-52.4	-175.5	0	0	0	109.6	R10 W28 F72 L73 M75 Y86 T106 V108	R10-L12 HydrophobicContact CG-CD2 4.19Å; L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 4.45Å; L12-W28 HydrophobicContact CD1-CH2 4.39Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; L12-F72 WeakPolarHBondContact O-CA 3.35Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.43Å; L12-L73 PolarHBondContact N-O 3.44Å; L12-L73 PolarHBondContact O-N 2.79Å; L12-M75 HydrophobicContact CD1-CE 3.93Å; L12-M75 HydrophobicContact CD1-SD 3.91Å; L12-M75 HydrophobicContact CD2-CE 3.85Å; L12-M75 HydrophobicContact CG-CE 3.67Å; L12-M75 HydrophobicContact CG-SD 4.15Å; L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.22Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T106 HydrophobicContact CD2-CG2 3.99Å; L12-V108 HydrophobicContact CD1-CG2 4.03Å; L12-V108 HydrophobicContact CD2-CG2 3.84Å
13	S	97.6	Very high	91.2	Very high	81 Å²	81	59.1 Å²	59.1	57%	0.566	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	147.5	171.5	56.9	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.52Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.32Å
14	C	97.4	Very high	92.1	Very high	18 Å²	18	55.1 Å²	55.1	12%	0.122	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	110	171.6	163.3	0	0	0	0	108.5	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 2.65Å; C14-L71 PolarHBondContact O-N 3.3Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å
15	A	96.8	Very high	92.9	Very high	79 Å²	79	54.7 Å²	54.7	65%	0.653	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	123.4	172.6	0	0	0	0	0	109
16	A	94.2	Very high	93.6	Very high	14 Å²	14	50 Å²	50	12%	0.116	35%	0.345	C	S	.	.			trans	-91.4	141.6	177.1	0	0	0	0	0	110.8	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CE2 4.36Å; A16-F19 HydrophobicContact CB-CZ 3.62Å; A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.25Å; A16-N69 WeakPolarHBondContact CB-O 3.21Å; A16-N69 PolarHBondContact N-O 3.38Å
17	S	93	Very high	94.3	Very high	80 Å²	80	47 Å²	47	56%	0.559	33%	0.325	S	S	*	.			trans	-141.7	159.4	174.1	59.6	0	0	0	0	109.4	F19	S17-F19 WeakPolarHBondContact O-CD1 3.3Å; S17-F19 PolarHBondContact O-N 3.02Å
18	G	91.3	Very high	95	Very high	85 Å²	85	44.5 Å²	44.5	88%	0.876	30%	0.299	S	S	*	.	S	Bend	trans	83.6	2	177.8	0	0	0	0	0	115.8
19	F	91.2	Very high	95.4	Very high	32 Å²	32	43.6 Å²	43.6	14%	0.14	29%	0.288	C	S	.	.	S	Bend	trans	-156.4	164.1	173.6	63.4	-84.8	0	0	0	112.1	A16 S17 F21 F24 M26 R90 Y101	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CE2 4.36Å; A16-F19 HydrophobicContact CB-CZ 3.62Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å; S17-F19 PolarHBondContact O-N 3.02Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.44Å; F19-F21 PolarHBondContact O-N 3.19Å; F19-F24 HydrophobicContact CB-CE2 4.42Å; F19-F24 AromaticContact CD2-CD2 3.66Å; F19-F24 HydrophobicContact CD2-CD2 3.66Å; F19-F24 HydrophobicContact CD2-CE2 4.08Å; F19-F24 HydrophobicContact CD2-CG 4.36Å; F19-F24 HydrophobicContact CE2-CB 4.48Å; F19-F24 HydrophobicContact CE2-CD2 4.23Å; F19-M26 HydrophobicContact CE2-SD 4.14Å; F19-M26 HydrophobicContact CZ-CE 4.24Å; F19-M26 HydrophobicContact CZ-SD 4.15Å; F19-R90 HydrophobicContact CD2-CG 4.45Å; F19-R90 HydrophobicContact CE2-CG 3.93Å; F19-R90 HydrophobicContact CZ-CB 4.27Å; F19-R90 HydrophobicContact CZ-CG 4.16Å; F19-Y101 HydrophobicContact CD1-CD1 4.46Å; F19-Y101 AromaticContact CE1-CD1 3.76Å; F19-Y101 HydrophobicContact CE1-CD1 3.76Å; F19-Y101 AromaticContact CE1-CE1 3.92Å; F19-Y101 HydrophobicContact CE1-CE1 3.92Å; F19-Y101 HydrophobicContact CE1-CG 4.29Å
20	T	94.1	Very high	95.6	Very high	86 Å²	86	40.6 Å²	40.6	53%	0.528	27%	0.266	S	S	.	.			trans	-74	85.8	176.2	-49.4	0	0	0	0	110.7	S22 S23 F24	T20-S22 PolarHBondContact O-N 3.23Å; T20-S22 VanDerWaalsContact O-N 3.09Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-F24 VanDerWaalsContact O-CD2 3.26Å; T20-F24 WeakPolarHBondContact O-CD2 3.37Å
21	F	95.1	Very high	95.8	Very high	1 Å²	1	42 Å²	42	0%	0.004	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-48.3	-41.2	-174.3	176.9	-100	0	0	0	114.4	A16 F19 S23 F24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.25Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.44Å; F19-F21 PolarHBondContact O-N 3.19Å; F21-S23 PolarHBondContact O-N 3.12Å; F21-F24 PolarHBondContact O-N 2.94Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 4.01Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.88Å; F21-M26 HydrophobicContact CZ-CG 4.11Å; F21-R64 HydrophobicContact CE1-CB 4.09Å; F21-R64 VanDerWaalsContact CE1-NH2 3.34Å; F21-R64 HydrophobicContact CZ-CB 4.03Å; F21-R64 PolarHBondContact O-NH2 2.82Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.33Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.45Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.28Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.21Å; F21-L71 HydrophobicContact CE2-CB 4.24Å; F21-L71 HydrophobicContact CZ-CB 4.19Å
22	S	95.1	Very high	95.7	Very high	54 Å²	54	37 Å²	37	38%	0.378	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.1	-20	179.2	55.6	0	0	0	0	114.3	T20 S45	T20-S22 PolarHBondContact O-N 3.23Å; T20-S22 VanDerWaalsContact O-N 3.09Å; S22-S45 VanDerWaalsContact O-CB 3.23Å; S22-S45 WeakPolarHBondContact O-CB 3.41Å
23	S	93.8	Very high	95.4	Very high	77 Å²	77	41.4 Å²	41.4	54%	0.538	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-85	-11.4	179.4	-56.8	0	0	0	0	113.6	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.9Å; F21-S23 PolarHBondContact O-N 3.12Å
24	F	94.8	Very high	95.1	Very high	39 Å²	39	47.5 Å²	47.5	17%	0.171	30%	0.303	C	S	.	.	S	Bend	trans	-118.4	147.2	-171.9	-64.6	-91.4	0	0	0	113.1	F19 T20 F21 S45 R64 R90 S91 P93	F19-F24 HydrophobicContact CB-CE2 4.42Å; F19-F24 AromaticContact CD2-CD2 3.66Å; F19-F24 HydrophobicContact CD2-CD2 3.66Å; F19-F24 HydrophobicContact CD2-CE2 4.08Å; F19-F24 HydrophobicContact CD2-CG 4.36Å; F19-F24 HydrophobicContact CE2-CB 4.48Å; F19-F24 HydrophobicContact CE2-CD2 4.23Å; T20-F24 VanDerWaalsContact O-CD2 3.26Å; T20-F24 WeakPolarHBondContact O-CD2 3.37Å; F21-F24 PolarHBondContact O-N 2.94Å; F24-S45 WeakPolarHBondContact O-CA 3.15Å; F24-R64 PolarHBondContact O-NH1 2.81Å; F24-R64 PolarHBondContact O-NH2 3.2Å; F24-R90 HydrophobicContact CB-CG 3.65Å; F24-R90 HydrophobicContact CD1-CG 3.84Å; F24-R90 HydrophobicContact CG-CG 3.78Å; F24-S91 WeakPolarHBondContact CD1-O 3.46Å; F24-P93 HydrophobicContact CE1-CG 3.91Å
25	G	95.8	Very high	94.9	Very high	8 Å²	8	52.1 Å²	52.1	8%	0.082	32%	0.321	C	S	.	.			trans	-71.1	151.7	160.7	0	0	0	0	0	110.6	I43 S91	G25-I43 CarbonylContact C-O 3.57Å; G25-I43 WeakPolarHBondContact CA-O 3.29Å; G25-S91 PolarHBondContact O-N 3.47Å; G25-S91 PolarHBondContact O-OG 3.06Å
26	M	97.4	Very high	94.7	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.6	-174.5	-61.8	-61.8	-59.4	0	0	110.8	F19 F21 Y42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.14Å; F19-M26 HydrophobicContact CZ-CE 4.24Å; F19-M26 HydrophobicContact CZ-SD 4.15Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 4.01Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.88Å; F21-M26 HydrophobicContact CZ-CG 4.11Å; M26-Y42 WeakPolarHBondContact O-CA 3.45Å; M26-Y42 VanDerWaalsContact O-CD2 3.3Å; M26-Y42 WeakPolarHBondContact O-CD2 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.18Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.49Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; M26-A89 CarbonylContact C-O 3.56Å; M26-A89 WeakPolarHBondContact CA-O 3.23Å; M26-R90 HydrophobicContact CE-CB 4.46Å; M26-R90 HydrophobicContact SD-CB 4.12Å; M26-R90 HydrophobicContact SD-CG 4.11Å
27	H	97.9	Very high	94.8	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.014	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.6	-177.9	-59.1	-82.7	0	0	0	111.4	V29 W39 A41 Y42 C88 A89 S91 Y96 M99	H27-V29 HydrophobicContact CB-CG2 4.49Å; H27-W39 AromaticContact ND1-NE1 3.32Å; H27-W39 PolarHBondContact ND1-NE1 3.31Å; H27-A41 CarbonylContact C-O 3.57Å; H27-A41 VanDerWaalsContact CA-O 3.26Å; H27-A41 WeakPolarHBondContact CA-O 3.32Å; H27-Y42 AromaticContact CE1-CD2 3.15Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.26Å; H27-Y42 AromaticContact CE1-CE2 3.83Å; H27-Y42 AromaticContact CE1-CG 3.84Å; H27-Y42 AromaticContact ND1-CD2 3.41Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.29Å; H27-Y42 AromaticContact ND1-CG 3.92Å; H27-Y42 AromaticContact NE2-CD2 3.68Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; H27-A89 HydrophobicContact CB-CB 4.37Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.83Å; H27-S91 PolarHBondContact CD2-OG 3.11Å; H27-S91 PolarHBondContact NE2-OG 2.7Å; H27-Y96 PolarHBondContact CE1-O 3.3Å; H27-Y96 PolarHBondContact NE2-O 3.11Å; H27-M99 HydrophobicContact CB-CE 3.84Å; H27-M99 HydrophobicContact CB-SD 4.24Å; H27-M99 VanDerWaalsContact CG-CE 3.43Å
28	W	98.3	Very high	95	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.2	154	-78.6	99.5	0	0	0	109.3	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 4.45Å; L12-W28 HydrophobicContact CD1-CH2 4.39Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4Å; W28-V40 HydrophobicContact CB-CB 4.12Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.16Å; W28-V40 WeakPolarHBondContact O-CB 3.5Å; W28-V40 PolarHBondContact O-N 2.68Å; W28-A41 PolarHBondContact N-O 2.92Å; W28-A41 PolarHBondContact O-N 2.88Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.36Å; W28-L71 HydrophobicContact CZ2-CD2 4.4Å; W28-L71 VanDerWaalsContact NE1-CD2 3.3Å; W28-F72 PolarHBondContact NE1-O 3.12Å; W28-L73 HydrophobicContact CB-CD2 4.25Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.18Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.25Å; W28-Y87 WeakPolarHBondContact CA-O 3.38Å; W28-Y87 VanDerWaalsContact CE3-O 3.3Å; W28-C88 HydrophobicContact CE3-CB 4.43Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å
29	V	98.1	Very high	95.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147	176.6	-178.9	0	0	0	0	106.8	H27 L37 E38 Y86 Y87 M99 W102	H27-V29 HydrophobicContact CB-CG2 4.49Å; V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 VanDerWaalsContact CG1-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.13Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.84Å; V29-M99 HydrophobicContact CG2-CE 4.14Å; V29-M99 HydrophobicContact CG2-SD 3.91Å; V29-W102 HydrophobicContact CB-CH2 4.01Å; V29-W102 HydrophobicContact CB-CZ3 3.68Å; V29-W102 HydrophobicContact CG1-CH2 3.9Å; V29-W102 HydrophobicContact CG1-CZ3 3.8Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.82Å
30	R	97.6	Very high	95.6	Very high	14 Å²	14	52.8 Å²	52.8	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.8	176.7	73.8	-178.9	-175.5	-176.4	2.9	111.7	E38 V40 D82 A84 V85 Y86	R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.66Å; R30-E38 PolarHBondContact N-O 3.31Å; R30-E38 IonicContact NE-OE2 3.02Å; R30-E38 PolarHBondContact NE-OE2 2.9Å; R30-E38 IonicContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact O-N 3.33Å; R30-V40 HydrophobicContact CB-CG2 3.84Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact NH1-OD1 2.92Å; R30-D82 PolarHBondContact NH1-OD1 3.49Å; R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.23Å; R30-V85 CarbonylContact C-O 3.46Å; R30-V85 WeakPolarHBondContact CA-O 3.37Å; R30-Y86 HydrophobicContact CB-CD1 3.78Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.73Å; R30-Y86 HydrophobicContact CB-CE2 4.39Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 2.86Å
31	Q	97.6	Very high	95.8	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108.3	172.5	-167.7	176.3	18.5	0	0	109	K35 L37 A84 V85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; Q31-K35 PolarHBondContact NE2-O 3.49Å; Q31-L37 HydrophobicContact CB-CD2 4.16Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.37Å; Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CE2 3.96Å
32	A	95.3	Very high	95.9	Very high	12 Å²	12	50 Å²	50	10%	0.099	27%	0.27	C	S	.	.			trans	-75	157.7	171.2	0	0	0	0	0	110.1	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.95Å; A32-K35 HydrophobicContact CB-CB 4.14Å; A32-K35 HydrophobicContact CB-CD 4Å; A32-K35 HydrophobicContact CB-CG 4.13Å; A32-K35 PolarHBondContact O-N 3.02Å; A32-K35 VanDerWaalsContact O-N 3.09Å; A32-A84 HydrophobicContact CB-CB 4.39Å
33	P	91.8	Very high	96	Very high	99 Å²	99	47.6 Å²	47.6	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	133.7	171.1	-24.6	34.4	0	0	0	110.5	K35	P33-K35 PolarHBondContact O-N 3.37Å; P33-K35 VanDerWaalsContact O-N 3.07Å
34	E	90.8	Very high	96.1	Very high	208 Å²	208	44.4 Å²	44.4	97%	0.972	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	7	178.4	-50.9	178.6	171.4	0	0	115.9	A32	A32-E34 PolarHBondContact O-N 2.95Å
35	K	92.1	Very high	96	Very high	115 Å²	115	44.9 Å²	44.9	50%	0.5	24%	0.239	S	C	.	.			trans	-108.7	159	175.4	-63.3	-162.9	-179	178.8	0	112.7	Q31 A32 P33 E38	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; Q31-K35 PolarHBondContact NE2-O 3.49Å; A32-K35 HydrophobicContact CB-CB 4.14Å; A32-K35 HydrophobicContact CB-CD 4Å; A32-K35 HydrophobicContact CB-CG 4.13Å; A32-K35 PolarHBondContact O-N 3.02Å; A32-K35 VanDerWaalsContact O-N 3.09Å; P33-K35 PolarHBondContact O-N 3.37Å; P33-K35 VanDerWaalsContact O-N 3.07Å; K35-E38 WeakPolarHBondContact CD-OE1 3.38Å; K35-E38 IonicContact NZ-OE1 3.57Å
36	G	94.4	Very high	95.9	Very high	52 Å²	52	47.3 Å²	47.3	54%	0.536	26%	0.263	S	S	.	.			trans	-70.8	-177.8	166.5	0	0	0	0	0	112.5	E38	G36-E38 PolarHBondContact O-N 2.93Å
37	L	95.7	Very high	95.8	Very high	99 Å²	99	49.6 Å²	49.6	52%	0.518	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.9	173.7	-69.3	168.9	0	0	0	110.4	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; Q31-L37 HydrophobicContact CB-CD2 4.16Å; L37-Y87 HydrophobicContact CD2-CD2 4.25Å; L37-Y87 HydrophobicContact CD2-CE2 4.31Å; L37-W102 HydrophobicContact CD1-CH2 4.03Å; L37-W102 HydrophobicContact CD1-CZ3 4.32Å; L37-W102 HydrophobicContact CD2-CZ3 4.34Å
38	E	96.7	Very high	95.6	Very high	56 Å²	56	54.5 Å²	54.5	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.1	176.7	-64.2	-179.1	159	0	0	109.4	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 VanDerWaalsContact CG1-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.13Å; R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.66Å; R30-E38 PolarHBondContact N-O 3.31Å; R30-E38 IonicContact NE-OE2 3.02Å; R30-E38 PolarHBondContact NE-OE2 2.9Å; R30-E38 IonicContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact O-N 3.33Å; K35-E38 WeakPolarHBondContact CD-OE1 3.38Å; K35-E38 IonicContact NZ-OE1 3.57Å; G36-E38 PolarHBondContact O-N 2.93Å
39	W	97.2	Very high	95.5	Very high	97 Å²	97	56.7 Å²	56.7	37%	0.367	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.6	174.2	179.5	86.9	0	0	0	111.1	H27 A53	H27-W39 AromaticContact ND1-NE1 3.32Å; H27-W39 PolarHBondContact ND1-NE1 3.31Å; W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 WeakPolarHBondContact O-CB 3.21Å
40	V	97.8	Very high	95.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-52.9	-174.5	178.8	0	0	0	0	112	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.12Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.16Å; W28-V40 WeakPolarHBondContact O-CB 3.5Å; W28-V40 PolarHBondContact O-N 2.68Å; R30-V40 HydrophobicContact CB-CG2 3.84Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-A53 PolarHBondContact O-N 2.83Å; V40-V56 HydrophobicContact CG1-CG1 4.39Å; V40-V56 HydrophobicContact CG1-CG2 3.98Å; V40-F60 HydrophobicContact CG1-CD2 3.87Å; V40-F60 HydrophobicContact CG1-CE2 4.34Å; V40-L73 HydrophobicContact CG1-CD2 4.23Å; V40-Y86 HydrophobicContact CG2-CE1 4.36Å
41	A	97.9	Very high	95.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.5	-175.7	0	0	0	0	0	112.1	H27 W28 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.57Å; H27-A41 VanDerWaalsContact CA-O 3.26Å; H27-A41 WeakPolarHBondContact CA-O 3.32Å; W28-A41 PolarHBondContact N-O 2.92Å; W28-A41 PolarHBondContact O-N 2.88Å; A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.28Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4.02Å; A41-I62 HydrophobicContact CB-CG2 4.17Å; A41-L73 HydrophobicContact CB-CD1 4.49Å
42	Y	97.3	Very high	95.4	Very high	28 Å²	28	64.3 Å²	64.3	11%	0.11	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.1	173.9	168.1	-105.6	0	0	0	111.1	M26 H27 S44 T49 I50 Y51 S91	M26-Y42 WeakPolarHBondContact O-CA 3.45Å; M26-Y42 VanDerWaalsContact O-CD2 3.3Å; M26-Y42 WeakPolarHBondContact O-CD2 3.46Å; H27-Y42 AromaticContact CE1-CD2 3.15Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.26Å; H27-Y42 AromaticContact CE1-CE2 3.83Å; H27-Y42 AromaticContact CE1-CG 3.84Å; H27-Y42 AromaticContact ND1-CD2 3.41Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.29Å; H27-Y42 AromaticContact ND1-CG 3.92Å; H27-Y42 AromaticContact NE2-CD2 3.68Å; Y42-S44 WeakPolarHBondContact OH-CA 3.37Å; Y42-T49 HydrophobicContact CE1-CG2 4.42Å; Y42-I50 VanDerWaalsContact O-CA 3.3Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; Y42-I50 WeakPolarHBondContact O-CG2 3.41Å; Y42-Y51 AromaticContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.37Å; Y42-Y51 PolarHBondContact N-O 2.95Å; Y42-Y51 PolarHBondContact O-N 3.15Å; Y42-S91 WeakPolarHBondContact CE2-OG 3.36Å
43	I	97.5	Very high	95.5	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.7	168.9	-173	160.1	0	0	0	110.2	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.57Å; G25-I43 WeakPolarHBondContact CA-O 3.29Å; M26-I43 HydrophobicContact CB-CG2 4.18Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-I50 HydrophobicContact CB-CG1 4.4Å; I43-I50 HydrophobicContact CD1-CD1 3.98Å; I43-I50 HydrophobicContact CD1-CG1 4.16Å; I43-I50 HydrophobicContact CG1-CD1 4.34Å; I43-I50 HydrophobicContact CG1-CG1 3.95Å; I43-I62 HydrophobicContact CB-CD1 3.97Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.09Å; I43-I62 HydrophobicContact CG2-CD1 3.59Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I43-R64 HydrophobicContact CD1-CB 4.49Å; I43-R64 HydrophobicContact CD1-CG 3.86Å; I43-R64 HydrophobicContact CG1-CG 4.45Å; I43-L71 HydrophobicContact CG2-CD1 3.61Å
44	S	95.4	Very high	95.8	Very high	10 Å²	10	66.3 Å²	66.3	7%	0.07	37%	0.365	C	S	.	.			trans	-68.3	165.1	176.1	66.5	0	0	0	0	112.8	Y42 G46 S47 S48 T49 R64	Y42-S44 WeakPolarHBondContact OH-CA 3.37Å; S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.03Å; S44-S47 PolarHBondContact O-N 3.27Å; S44-S47 PolarHBondContact OG-N 3.06Å; S44-S48 PolarHBondContact OG-N 3.02Å; S44-S48 PolarHBondContact OG-OG 2.94Å; S44-T49 PolarHBondContact N-O 3.38Å; S44-T49 PolarHBondContact OG-N 2.81Å; S44-T49 VanDerWaalsContact OG-N 3.11Å; S44-R64 PolarHBondContact O-NH1 3.32Å
45	S	94.2	Very high	95.9	Very high	50 Å²	50	60.7 Å²	60.7	35%	0.35	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-46.5	176	46	0	0	0	0	113.2	S22 F24 R64	S22-S45 VanDerWaalsContact O-CB 3.23Å; S22-S45 WeakPolarHBondContact O-CB 3.41Å; F24-S45 WeakPolarHBondContact O-CA 3.15Å; S45-R64 PolarHBondContact O-NH1 2.74Å
46	G	92.4	Very high	96.1	Very high	58 Å²	58	55.2 Å²	55.2	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	7	178.9	0	0	0	0	0	115.3	S44 S48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.03Å; G46-S48 PolarHBondContact O-N 3.28Å
47	S	95.3	Very high	96.2	Very high	53 Å²	53	59.4 Å²	59.4	37%	0.371	32%	0.324	S	S	.	.	S	Bend	trans	59	11.9	-176.5	-51.3	0	0	0	0	115.6	S44 T49 R64	S44-S47 PolarHBondContact O-N 3.27Å; S44-S47 PolarHBondContact OG-N 3.06Å; S47-T49 VanDerWaalsContact C-N 3.31Å; S47-R64 WeakPolarHBondContact OG-CD 3.17Å; S47-R64 WeakPolarHBondContact OG-CG 3.46Å
48	S	94.6	Very high	96.2	Very high	106 Å²	106	58.4 Å²	58.4	74%	0.741	34%	0.338	S	S	*	.			trans	-74.8	-21.1	179.8	56	0	0	0	0	113.4	S44 G46	S44-S48 PolarHBondContact OG-N 3.02Å; S44-S48 PolarHBondContact OG-OG 2.94Å; G46-S48 PolarHBondContact O-N 3.28Å
49	T	95.3	Very high	96.2	Very high	49 Å²	49	56.9 Å²	56.9	30%	0.301	33%	0.33	S	S	.	.			trans	-130.1	124.7	-177.5	-52.8	0	0	0	0	108.7	Y42 S44 S47 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.42Å; S44-T49 PolarHBondContact N-O 3.38Å; S44-T49 PolarHBondContact OG-N 2.81Å; S44-T49 VanDerWaalsContact OG-N 3.11Å; S47-T49 VanDerWaalsContact C-N 3.31Å; T49-Y51 HydrophobicContact CG2-CD2 4.07Å; T49-Y51 HydrophobicContact CG2-CE1 4.27Å; T49-Y51 HydrophobicContact CG2-CE2 3.31Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.43Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.24Å
50	I	97.2	Very high	96.3	Very high	65 Å²	65	52.4 Å²	52.4	33%	0.333	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.1	179.5	-60.8	177.9	0	0	0	108.3	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.3Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; Y42-I50 WeakPolarHBondContact O-CG2 3.41Å; I43-I50 HydrophobicContact CB-CG1 4.4Å; I43-I50 HydrophobicContact CD1-CD1 3.98Å; I43-I50 HydrophobicContact CD1-CG1 4.16Å; I43-I50 HydrophobicContact CG1-CD1 4.34Å; I43-I50 HydrophobicContact CG1-CG1 3.95Å; I50-Y52 HydrophobicContact CG2-CD2 4.15Å; I50-Y52 HydrophobicContact CG2-CE1 4.26Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.43Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å
51	Y	97.1	Very high	96.3	Very high	132 Å²	132	55.9 Å²	55.9	52%	0.518	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151	174.5	-58.8	-64	0	0	0	110.4	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.28Å; Y42-Y51 AromaticContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.37Å; Y42-Y51 PolarHBondContact N-O 2.95Å; Y42-Y51 PolarHBondContact O-N 3.15Å; T49-Y51 HydrophobicContact CG2-CD2 4.07Å; T49-Y51 HydrophobicContact CG2-CE1 4.27Å; T49-Y51 HydrophobicContact CG2-CE2 3.31Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.43Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.24Å
52	Y	98.1	Very high	96.3	Very high	58 Å²	58	56.1 Å²	56.1	23%	0.227	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.4	178.6	-62.1	-78.8	0	0	0	109.8	A41 I50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; I50-Y52 HydrophobicContact CG2-CD2 4.15Å; I50-Y52 HydrophobicContact CG2-CE1 4.26Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.43Å; Y52-F60 WeakPolarHBondContact CE1-O 3.36Å; Y52-T61 WeakPolarHBondContact OH-CA 3.43Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.81Å; Y52-I62 PolarHBondContact OH-N 3.48Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å
53	A	97.3	Very high	96.4	Very high	15 Å²	15	56.9 Å²	56.9	12%	0.124	35%	0.345	C	S	.	.			trans	-67.3	144.1	168.1	0	0	0	0	0	109.8	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 WeakPolarHBondContact O-CB 3.21Å; V40-A53 PolarHBondContact O-N 2.83Å; A53-T55 PolarHBondContact O-N 2.74Å; A53-T55 VanDerWaalsContact O-N 3.12Å; A53-V56 HydrophobicContact CB-CG2 4.21Å; A53-V56 WeakPolarHBondContact O-CG2 3.18Å; A53-V56 PolarHBondContact O-N 3.39Å; A53-K57 PolarHBondContact O-N 2.8Å
54	D	96.8	Very high	96.4	Very high	138 Å²	138	58 Å²	58	74%	0.738	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.9	-177.2	-68.5	-35.5	0	0	0	112.5	V56	D54-V56 PolarHBondContact O-N 3.24Å
55	T	94.4	Very high	96.5	Very high	90 Å²	90	59.4 Å²	59.4	55%	0.552	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.4	178.5	57.1	0	0	0	0	114.3	A53 R59	A53-T55 PolarHBondContact O-N 2.74Å; A53-T55 VanDerWaalsContact O-N 3.12Å; T55-R59 PolarHBondContact O-NH2 2.84Å
56	V	96.3	Very high	96.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-5.5	-177	-56.7	0	0	0	0	113.3	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.39Å; V40-V56 HydrophobicContact CG1-CG2 3.98Å; A53-V56 HydrophobicContact CB-CG2 4.21Å; A53-V56 WeakPolarHBondContact O-CG2 3.18Å; A53-V56 PolarHBondContact O-N 3.39Å; D54-V56 PolarHBondContact O-N 3.24Å; V56-G58 PolarHBondContact O-N 2.91Å; V56-R59 PolarHBondContact O-N 3.5Å; V56-F60 HydrophobicContact CB-CB 4.05Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.12Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.65Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.23Å; V56-F60 HydrophobicContact CG2-CD2 4.14Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 3.36Å
57	K	95.4	Very high	96.8	Very high	139 Å²	139	62.4 Å²	62.4	60%	0.604	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	131.9	-178.5	-165.7	173.8	-174.5	176.3	0	110.6	A53 R59	A53-K57 PolarHBondContact O-N 2.8Å; K57-R59 PolarHBondContact O-N 2.86Å
58	G	95.9	Very high	96.8	Very high	79 Å²	79	66.6 Å²	66.6	81%	0.814	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-6	-176.4	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 2.91Å
59	R	97.4	Very high	96.9	Very high	23 Å²	23	64.7 Å²	64.7	9%	0.087	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-36.3	176.4	-59	-169.5	-58.4	115.9	0	112.4	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.84Å; V56-R59 PolarHBondContact O-N 3.5Å; K57-R59 PolarHBondContact O-N 2.86Å; R59-T76 PolarHBondContact O-N 3.2Å; R59-T76 PolarHBondContact O-OG1 3.16Å; R59-S77 PolarHBondContact NH1-O 2.78Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.79Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 3Å; R59-D82 IonicContact NH2-OD2 3.31Å; R59-D82 PolarHBondContact NH2-OD2 2.83Å
60	F	98	Very high	97.1	Very high	3 Å²	3	63.2 Å²	63.2	1%	0.013	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.2	-176.1	-68.7	14.4	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.87Å; V40-F60 HydrophobicContact CG1-CE2 4.34Å; Y52-F60 WeakPolarHBondContact CE1-O 3.36Å; V56-F60 HydrophobicContact CB-CB 4.05Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.12Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.65Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.23Å; V56-F60 HydrophobicContact CG2-CD2 4.14Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 3.36Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.48Å; F60-L73 HydrophobicContact CD2-CD2 4.04Å; F60-L73 HydrophobicContact CD2-CG 4.41Å; F60-L73 HydrophobicContact CE2-CD2 4.47Å; F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.29Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.04Å; F60-M75 HydrophobicContact CD2-CG 3.94Å; F60-M75 HydrophobicContact CE1-CB 3.64Å; F60-M75 HydrophobicContact CE1-CG 3.99Å; F60-M75 HydrophobicContact CE2-CB 4.43Å; F60-M75 HydrophobicContact CE2-CG 3.86Å; F60-M75 HydrophobicContact CE2-SD 3.96Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 3.98Å; F60-M75 HydrophobicContact CZ-CG 3.9Å; F60-M75 HydrophobicContact CZ-SD 4.05Å; F60-L78 HydrophobicContact CE1-CD2 4.03Å; F60-L78 HydrophobicContact CZ-CD2 3.94Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å
61	T	98.4	Very high	97.1	Very high	75 Å²	75	60.1 Å²	60.1	46%	0.46	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.7	178.5	-53.9	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.43Å; T61-Q74 PolarHBondContact N-O 3.38Å; T61-Q74 PolarHBondContact O-N 2.89Å
62	I	98.6	Very high	97.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.9	173.5	-169.3	172.6	0	0	0	109.3	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4.02Å; A41-I62 HydrophobicContact CB-CG2 4.17Å; I43-I62 HydrophobicContact CB-CD1 3.97Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.09Å; I43-I62 HydrophobicContact CG2-CD1 3.59Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.81Å; Y52-I62 PolarHBondContact OH-N 3.48Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; I62-F72 WeakPolarHBondContact CA-O 3.3Å; I62-L73 HydrophobicContact CB-CD1 4.25Å
63	S	98.4	Very high	97.2	Very high	44 Å²	44	52.9 Å²	52.9	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	165.1	175.2	51.8	0	0	0	0	110.1	F72	S63-F72 PolarHBondContact N-O 2.95Å; S63-F72 PolarHBondContact O-N 3.29Å
64	R	98.1	Very high	97.2	Very high	28 Å²	28	54.9 Å²	54.9	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150	-177.1	62.6	-176.1	-67.9	157	3.6	111.3	F21 F24 I43 S44 S45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.09Å; F21-R64 VanDerWaalsContact CE1-NH2 3.34Å; F21-R64 HydrophobicContact CZ-CB 4.03Å; F21-R64 PolarHBondContact O-NH2 2.82Å; F24-R64 PolarHBondContact O-NH1 2.81Å; F24-R64 PolarHBondContact O-NH2 3.2Å; I43-R64 HydrophobicContact CD1-CB 4.49Å; I43-R64 HydrophobicContact CD1-CG 3.86Å; I43-R64 HydrophobicContact CG1-CG 4.45Å; S44-R64 PolarHBondContact O-NH1 3.32Å; S45-R64 PolarHBondContact O-NH1 2.74Å; S47-R64 WeakPolarHBondContact OG-CD 3.17Å; S47-R64 WeakPolarHBondContact OG-CG 3.46Å; R64-N66 PolarHBondContact NE-OD1 3.09Å; R64-N66 PolarHBondContact NH2-OD1 2.88Å; R64-T70 CarbonylContact C-O 3.53Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; R64-L71 HydrophobicContact CB-CD1 4.19Å
65	D	97.5	Very high	97.3	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	103.7	172.6	-176.2	-27.7	0	0	0	107.6	P67 K68 N69 T70 F72	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.01Å; D65-K68 HydrophobicContact CB-CB 4.22Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.9Å; D65-K68 PolarHBondContact OD1-N 3.39Å; D65-K68 VanDerWaalsContact OD1-N 3.1Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.02Å; D65-K68 IonicContact OD2-NZ 3.02Å; D65-K68 PolarHBondContact OD2-NZ 3.24Å; D65-N69 PolarHBondContact O-N 3.03Å; D65-T70 PolarHBondContact N-O 3.12Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-F72 HydrophobicContact CB-CE2 3.82Å
66	N	96.4	Very high	97.4	Very high	52 Å²	52	46.5 Å²	46.5	28%	0.278	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-47.8	-176.2	-76.7	-15.5	0	0	0	112.6	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.33Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.45Å; R64-N66 PolarHBondContact NE-OD1 3.09Å; R64-N66 PolarHBondContact NH2-OD1 2.88Å; N66-K68 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-N 3.05Å; N66-N69 PolarHBondContact O-OD1 2.84Å
67	P	95.4	Very high	97.3	Very high	120 Å²	120	49.7 Å²	49.7	78%	0.779	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.8	173.8	-28.8	34.8	0	0	0	114.1	D65	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.01Å
68	K	96.6	Very high	97.3	Very high	140 Å²	140	43.2 Å²	43.2	61%	0.609	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	3.7	178.4	-60.9	-175.2	-164.4	142.9	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.22Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.9Å; D65-K68 PolarHBondContact OD1-N 3.39Å; D65-K68 VanDerWaalsContact OD1-N 3.1Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.02Å; D65-K68 IonicContact OD2-NZ 3.02Å; D65-K68 PolarHBondContact OD2-NZ 3.24Å; N66-K68 PolarHBondContact O-N 2.95Å; K68-T70 PolarHBondContact O-N 3.21Å; K68-T70 VanDerWaalsContact O-N 3.07Å; K68-T70 PolarHBondContact O-OG1 2.98Å
69	N	97.1	Very high	97.2	Very high	67 Å²	67	45.8 Å²	45.8	36%	0.358	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	37.8	-174.4	-59.8	-43	0	0	0	113.2	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.21Å; A16-N69 PolarHBondContact N-O 3.38Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.28Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.21Å; D65-N69 PolarHBondContact O-N 3.03Å; N66-N69 PolarHBondContact O-N 3.05Å; N66-N69 PolarHBondContact O-OD1 2.84Å
70	T	98	Very high	96.9	Very high	18 Å²	18	48 Å²	48	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130	-170.3	-57.7	0	0	0	0	111.7	C14 R64 D65 K68 F72	C14-T70 WeakPolarHBondContact O-CA 3.44Å; R64-T70 CarbonylContact C-O 3.53Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.12Å; D65-T70 PolarHBondContact O-N 2.95Å; K68-T70 PolarHBondContact O-N 3.21Å; K68-T70 VanDerWaalsContact O-N 3.07Å; K68-T70 PolarHBondContact O-OG1 2.98Å; T70-F72 HydrophobicContact CG2-CD1 4.14Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
71	L	98.4	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.2	170.7	-171.4	71.2	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.52Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.32Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 2.65Å; C14-L71 PolarHBondContact O-N 3.3Å; F21-L71 HydrophobicContact CE2-CB 4.24Å; F21-L71 HydrophobicContact CZ-CB 4.19Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.49Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.36Å; W28-L71 HydrophobicContact CZ2-CD2 4.4Å; W28-L71 VanDerWaalsContact NE1-CD2 3.3Å; I43-L71 HydrophobicContact CG2-CD1 3.61Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; R64-L71 HydrophobicContact CB-CD1 4.19Å; L71-C88 HydrophobicContact CD2-CB 3.97Å
72	F	98.4	Very high	96.6	Very high	37 Å²	37	50.1 Å²	50.1	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149	177.9	-56.9	-79.2	0	0	0	112	K11 L12 W28 I62 S63 D65 T70	K11-F72 HydrophobicContact CD-CD1 4.47Å; K11-F72 VanDerWaalsContact CE-CD1 3.42Å; L12-F72 WeakPolarHBondContact O-CA 3.35Å; W28-F72 PolarHBondContact NE1-O 3.12Å; I62-F72 WeakPolarHBondContact CA-O 3.3Å; S63-F72 PolarHBondContact N-O 2.95Å; S63-F72 PolarHBondContact O-N 3.29Å; D65-F72 HydrophobicContact CB-CE2 3.82Å; T70-F72 HydrophobicContact CG2-CD1 4.14Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
73	L	98.6	Very high	96.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.6	167.3	-169.7	66.4	0	0	0	108.5	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.43Å; L12-L73 PolarHBondContact N-O 3.44Å; L12-L73 PolarHBondContact O-N 2.79Å; W28-L73 HydrophobicContact CB-CD2 4.25Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.18Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.25Å; V40-L73 HydrophobicContact CG1-CD2 4.23Å; A41-L73 HydrophobicContact CB-CD1 4.49Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.48Å; F60-L73 HydrophobicContact CD2-CD2 4.04Å; F60-L73 HydrophobicContact CD2-CG 4.41Å; F60-L73 HydrophobicContact CE2-CD2 4.47Å; I62-L73 HydrophobicContact CB-CD1 4.25Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 4.02Å; L73-M75 HydrophobicContact CG-CG 3.9Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å; L73-Y86 HydrophobicContact CD2-CE1 4.29Å
74	Q	98.1	Very high	96.4	Very high	57 Å²	57	49.7 Å²	49.7	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119	169	-177.1	63.9	44	0	0	108	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.29Å; T61-Q74 PolarHBondContact N-O 3.38Å; T61-Q74 PolarHBondContact O-N 2.89Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å
75	M	97.3	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.6	178.3	-53.9	176.7	-57.1	0	0	107.9	S9 R10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.47Å; S9-M75 WeakPolarHBondContact CA-O 3.08Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å; R10-M75 HydrophobicContact CB-CE 3.74Å; R10-M75 HydrophobicContact CG-CE 4.01Å; R10-M75 PolarHBondContact N-O 3.32Å; R10-M75 WeakPolarHBondContact O-CB 3.4Å; R10-M75 PolarHBondContact O-N 2.02Å; L12-M75 HydrophobicContact CD1-CE 3.93Å; L12-M75 HydrophobicContact CD1-SD 3.91Å; L12-M75 HydrophobicContact CD2-CE 3.85Å; L12-M75 HydrophobicContact CG-CE 3.67Å; L12-M75 HydrophobicContact CG-SD 4.15Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.04Å; F60-M75 HydrophobicContact CD2-CG 3.94Å; F60-M75 HydrophobicContact CE1-CB 3.64Å; F60-M75 HydrophobicContact CE1-CG 3.99Å; F60-M75 HydrophobicContact CE2-CB 4.43Å; F60-M75 HydrophobicContact CE2-CG 3.86Å; F60-M75 HydrophobicContact CE2-SD 3.96Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 3.98Å; F60-M75 HydrophobicContact CZ-CG 3.9Å; F60-M75 HydrophobicContact CZ-SD 4.05Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 4.02Å; L73-M75 HydrophobicContact CG-CG 3.9Å; M75-L78 HydrophobicContact CB-CD1 4.41Å; M75-L78 HydrophobicContact CB-CD2 3.84Å; M75-L78 HydrophobicContact CB-CG 4.14Å; M75-L78 HydrophobicContact CE-CD1 4.38Å; M75-L78 HydrophobicContact CE-CD2 4.3Å; M75-L78 HydrophobicContact SD-CD2 4.27Å; M75-Y86 HydrophobicContact SD-CE1 4.16Å; M75-V108 HydrophobicContact CE-CG1 4.15Å; M75-V108 HydrophobicContact CE-CG2 4.06Å
76	T	96.3	Very high	96.4	Very high	53 Å²	53	48.7 Å²	48.7	33%	0.325	26%	0.26	S	S	.	.			trans	-116.3	161.3	173.5	66.1	0	0	0	0	110.3	R59 Q74 L78	R59-T76 PolarHBondContact O-N 3.2Å; R59-T76 PolarHBondContact O-OG1 3.16Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å; T76-L78 PolarHBondContact O-N 2.76Å
77	S	94.8	Very high	96.5	Very high	67 Å²	67	48.4 Å²	48.4	47%	0.469	26%	0.255	S	S	.	.	S	Bend	trans	49	49.3	180	-56	0	0	0	0	111.7	G8 R59	G8-S77 PolarHBondContact O-N 3.07Å; R59-S77 PolarHBondContact NH1-O 2.78Å
78	L	95.2	Very high	96.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.221	C	C	.	.			trans	-61	140.8	-179.3	-81.8	166.8	0	0	0	110.7	V4 G7 G8 R10 F60 M75 T76 D82 V110	V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG1-CD1 3.79Å; V4-L78 HydrophobicContact CG2-CD1 4.31Å; G7-L78 PolarHBondContact N-O 3.27Å; G8-L78 PolarHBondContact O-N 2.99Å; G8-L78 VanDerWaalsContact O-N 3.12Å; R10-L78 HydrophobicContact CB-CD1 3.99Å; F60-L78 HydrophobicContact CE1-CD2 4.03Å; F60-L78 HydrophobicContact CZ-CD2 3.94Å; M75-L78 HydrophobicContact CB-CD1 4.41Å; M75-L78 HydrophobicContact CB-CD2 3.84Å; M75-L78 HydrophobicContact CB-CG 4.14Å; M75-L78 HydrophobicContact CE-CD1 4.38Å; M75-L78 HydrophobicContact CE-CD2 4.3Å; M75-L78 HydrophobicContact SD-CD2 4.27Å; T76-L78 PolarHBondContact O-N 2.76Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-V110 HydrophobicContact CB-CG1 4.38Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.44Å; L78-V110 HydrophobicContact CD2-CG2 4.3Å
79	R	94.2	Very high	96.6	Very high	134 Å²	134	36.6 Å²	36.6	51%	0.506	19%	0.193	S	C	.	.			trans	-119.7	163.9	178.3	-51.8	178	178.8	171.5	-2.4	110	E81 D82 V110	R79-E81 WeakPolarHBondContact CB-OE2 3.3Å; R79-E81 PolarHBondContact O-N 2.85Å; R79-D82 PolarHBondContact N-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.48Å; R79-D82 PolarHBondContact O-N 2.9Å; R79-V110 WeakPolarHBondContact O-CB 3.24Å
80	S	92.1	Very high	96.5	Very high	70 Å²	70	35.3 Å²	35.3	49%	0.49	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-52.9	-36.7	175.4	29.6	0	0	0	0	112.3	D82 T83	S80-D82 PolarHBondContact O-N 2.93Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.5Å; S80-T83 PolarHBondContact O-N 2.95Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.16Å
81	E	92.8	Very high	96.3	Very high	119 Å²	119	34.7 Å²	34.7	56%	0.556	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-71.4	-12	-179.4	-51.3	71.9	-130.1	0	0	113.2	R79	R79-E81 WeakPolarHBondContact CB-OE2 3.3Å; R79-E81 PolarHBondContact O-N 2.85Å
82	D	95.4	Very high	95.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-83.7	-0.9	173.7	-59.5	-47.2	0	0	0	112.4	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 2.92Å; R30-D82 PolarHBondContact NH1-OD1 3.49Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.79Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 3Å; R59-D82 IonicContact NH2-OD2 3.31Å; R59-D82 PolarHBondContact NH2-OD2 2.83Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; R79-D82 PolarHBondContact N-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.48Å; R79-D82 PolarHBondContact O-N 2.9Å; S80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.91Å
83	T	96.1	Very high	94.9	Very high	35 Å²	35	40.2 Å²	40.2	22%	0.215	22%	0.215	C	C	.	.			trans	-65.6	112.3	173.1	-65.1	0	0	0	0	110.6	S80 V108 T109 V110	S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.5Å; S80-T83 PolarHBondContact O-N 2.95Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.16Å; T83-V108 WeakPolarHBondContact CA-O 3.46Å; T83-T109 HydrophobicContact CG2-CG2 4.42Å; T83-V110 PolarHBondContact OG1-N 3.06Å; T83-V110 PolarHBondContact OG1-O 2.8Å
84	A	96.9	Very high	93.9	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	168.6	-175.4	0	0	0	0	0	111.3	R30 Q31 A32 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.23Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.37Å; A32-A84 HydrophobicContact CB-CB 4.39Å; D82-A84 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.33Å; A84-V108 PolarHBondContact N-O 2.83Å; A84-V108 PolarHBondContact O-N 3.21Å
85	V	98	Very high	93.2	Very high	45 Å²	45	44.6 Å²	44.6	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.9	160.2	-172.6	0	0	0	0	108.5	R30 Q31 Y87	R30-V85 CarbonylContact C-O 3.46Å; R30-V85 WeakPolarHBondContact CA-O 3.37Å; Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 2.91Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.42Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å; V85-Y87 WeakPolarHBondContact O-CE2 3.42Å
86	Y	98.1	Very high	92.2	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	-178.7	-73.5	-101.7	0	0	0	110.6	L12 V29 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.22Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; R30-Y86 HydrophobicContact CB-CD1 3.78Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.73Å; R30-Y86 HydrophobicContact CB-CE2 4.39Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 2.86Å; V40-Y86 HydrophobicContact CG2-CE1 4.36Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å; L73-Y86 HydrophobicContact CD2-CE1 4.29Å; M75-Y86 HydrophobicContact SD-CE1 4.16Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.91Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.33Å; Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.25Å; Y86-T106 PolarHBondContact N-O 3.2Å; Y86-T106 PolarHBondContact O-N 3.19Å; Y86-V108 HydrophobicContact CD2-CB 3.91Å; Y86-V108 HydrophobicContact CD2-CG2 3.54Å; Y86-V108 HydrophobicContact CE2-CB 3.76Å; Y86-V108 HydrophobicContact CE2-CG1 4.45Å; Y86-V108 HydrophobicContact CE2-CG2 3.82Å; Y86-V108 HydrophobicContact CG-CG2 4.42Å
87	Y	98.1	Very high	91.3	Very high	46 Å²	46	57.5 Å²	57.5	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.3	-180	-54.3	-89.3	0	0	0	109.9	W28 V29 Q31 L37 V85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.38Å; W28-Y87 VanDerWaalsContact CE3-O 3.3Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.84Å; Q31-Y87 HydrophobicContact CB-CE2 3.96Å; L37-Y87 HydrophobicContact CD2-CD2 4.25Å; L37-Y87 HydrophobicContact CD2-CE2 4.31Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.42Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å; V85-Y87 WeakPolarHBondContact O-CE2 3.42Å; Y87-W102 HydrophobicContact CG-CE3 4.44Å; Y87-G103 WeakPolarHBondContact CD1-O 3.47Å
88	C	97.3	Very high	90.9	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	144.6	162	53.4	0	0	0	0	109.1	C14 H27 W28 L71 G103	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; W28-C88 HydrophobicContact CE3-CB 4.43Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å; L71-C88 HydrophobicContact CD2-CB 3.97Å; C88-G103 PolarHBondContact O-N 3.02Å
89	A	96.9	Very high	90.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.5	176	0	0	0	0	0	111.7	M26 H27 M99 Y101 W102	M26-A89 CarbonylContact C-O 3.56Å; M26-A89 WeakPolarHBondContact CA-O 3.23Å; H27-A89 HydrophobicContact CB-CB 4.37Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.83Å; A89-M99 HydrophobicContact CB-CB 4.15Å; A89-M99 HydrophobicContact CB-CG 4.21Å; A89-M99 HydrophobicContact CB-SD 3.79Å; A89-Y101 CarbonylContact C-O 3.42Å; A89-Y101 WeakPolarHBondContact CA-O 3.4Å; A89-W102 HydrophobicContact CB-CD2 3.79Å; A89-W102 HydrophobicContact CB-CE3 3.91Å; A89-W102 HydrophobicContact CB-CG 4.28Å; A89-W102 HydrophobicContact CB-CH2 4.38Å; A89-W102 HydrophobicContact CB-CZ2 4.26Å; A89-W102 HydrophobicContact CB-CZ3 4.22Å
90	R	95.7	Very high	90.5	Very high	40 Å²	40	54.8 Å²	54.8	15%	0.151	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.5	176.2	-171.2	-172.9	69.9	178.5	1.4	110.1	F19 F24 M26 M99 D100 Y101	F19-R90 HydrophobicContact CD2-CG 4.45Å; F19-R90 HydrophobicContact CE2-CG 3.93Å; F19-R90 HydrophobicContact CZ-CB 4.27Å; F19-R90 HydrophobicContact CZ-CG 4.16Å; F24-R90 HydrophobicContact CB-CG 3.65Å; F24-R90 HydrophobicContact CD1-CG 3.84Å; F24-R90 HydrophobicContact CG-CG 3.78Å; M26-R90 HydrophobicContact CE-CB 4.46Å; M26-R90 HydrophobicContact SD-CB 4.12Å; M26-R90 HydrophobicContact SD-CG 4.11Å; R90-M99 VanDerWaalsContact O-CA 3.28Å; R90-M99 WeakPolarHBondContact O-CA 3.39Å; R90-D100 IonicContact CZ-OD1 3.43Å; R90-D100 IonicContact CZ-OD2 3.62Å; R90-D100 IonicContact NE-OD1 2.95Å; R90-D100 PolarHBondContact NE-OD1 3.03Å; R90-D100 IonicContact NE-OD2 3.82Å; R90-D100 IonicContact NH2-OD1 3.12Å; R90-D100 PolarHBondContact NH2-OD1 2.98Å; R90-D100 VanDerWaalsContact NH2-OD1 3.12Å; R90-D100 IonicContact NH2-OD2 2.65Å; R90-D100 PolarHBondContact NH2-OD2 2.9Å; R90-D100 PolarHBondContact O-N 3.43Å; R90-Y101 PolarHBondContact N-O 3.09Å
91	S	93.8	Very high	90.5	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	148.6	168	-45.3	0	0	0	0	111.6	F24 G25 H27 Y42 A98	F24-S91 WeakPolarHBondContact CD1-O 3.46Å; G25-S91 PolarHBondContact O-N 3.47Å; G25-S91 PolarHBondContact O-OG 3.06Å; H27-S91 PolarHBondContact CD2-OG 3.11Å; H27-S91 PolarHBondContact NE2-OG 2.7Å; Y42-S91 WeakPolarHBondContact CE2-OG 3.36Å; S91-A98 WeakPolarHBondContact CA-O 3.3Å
92	L	88	Confident	90.6	Very high	59 Å²	59	55.2 Å²	55.2	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	148.3	166.8	-86.8	162.1	0	0	0	111.3	G94 I95 A98 D100	L92-G94 PolarHBondContact O-N 2.79Å; L92-G94 VanDerWaalsContact O-N 3.16Å; L92-I95 HydrophobicContact CB-CB 4.11Å; L92-I95 PolarHBondContact N-O 2.89Å; L92-I95 PolarHBondContact O-N 3.06Å; L92-A98 HydrophobicContact CB-CB 4.49Å; L92-A98 HydrophobicContact CD1-CB 3.6Å; L92-A98 PolarHBondContact N-O 3.19Å; L92-D100 HydrophobicContact CD1-CB 4.45Å; L92-D100 HydrophobicContact CD2-CB 3.81Å; L92-D100 WeakPolarHBondContact CD2-OD2 3.44Å; L92-D100 HydrophobicContact CG-CB 3.91Å
93	P	80.3	Confident	90.6	Very high	94 Å²	94	56 Å²	56	61%	0.61	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	122.3	174.7	-17.3	23.8	0	0	0	111.4	F24 I95	F24-P93 HydrophobicContact CE1-CG 3.91Å; P93-I95 PolarHBondContact O-N 3.32Å
94	G	77.7	Confident	90.5	Very high	85 Å²	85	63.5 Å²	63.5	88%	0.876	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-1.3	178.8	0	0	0	0	0	115.8	L92	L92-G94 PolarHBondContact O-N 2.79Å; L92-G94 VanDerWaalsContact O-N 3.16Å
95	I	83.1	Confident	90.4	Very high	64 Å²	64	64.5 Å²	64.5	33%	0.328	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	96.2	-176.8	-53.2	178.7	0	0	0	109.8	L92 P93 Y97 A98	L92-I95 HydrophobicContact CB-CB 4.11Å; L92-I95 PolarHBondContact N-O 2.89Å; L92-I95 PolarHBondContact O-N 3.06Å; P93-I95 PolarHBondContact O-N 3.32Å; I95-Y97 VanDerWaalsContact C-N 3.32Å; I95-Y97 HydrophobicContact CG2-CD1 4.27Å; I95-Y97 HydrophobicContact CG2-CD2 3.66Å; I95-Y97 HydrophobicContact CG2-CE1 3.99Å; I95-Y97 HydrophobicContact CG2-CE2 3.34Å; I95-Y97 HydrophobicContact CG2-CG 4.12Å; I95-Y97 PolarHBondContact O-N 2.77Å; I95-A98 HydrophobicContact CG2-CB 3.7Å
96	Y	75.1	Confident	90.3	Very high	147 Å²	147	64.9 Å²	64.9	58%	0.576	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	-6.8	-174.6	58	-96.5	0	0	0	115	H27	H27-Y96 PolarHBondContact CE1-O 3.3Å; H27-Y96 PolarHBondContact NE2-O 3.11Å
97	Y	77.3	Confident	90.2	Very high	177 Å²	177	67.4 Å²	67.4	69%	0.694	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	-2.7	177.3	46.4	-96.5	0	0	0	113.8	I95	I95-Y97 VanDerWaalsContact C-N 3.32Å; I95-Y97 HydrophobicContact CG2-CD1 4.27Å; I95-Y97 HydrophobicContact CG2-CD2 3.66Å; I95-Y97 HydrophobicContact CG2-CE1 3.99Å; I95-Y97 HydrophobicContact CG2-CE2 3.34Å; I95-Y97 HydrophobicContact CG2-CG 4.12Å; I95-Y97 PolarHBondContact O-N 2.77Å
98	A	86.1	Confident	90.1	Very high	28 Å²	28	65.2 Å²	65.2	23%	0.231	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.4	-179.3	0	0	0	0	0	110.7	S91 L92 I95	S91-A98 WeakPolarHBondContact CA-O 3.3Å; L92-A98 HydrophobicContact CB-CB 4.49Å; L92-A98 HydrophobicContact CD1-CB 3.6Å; L92-A98 PolarHBondContact N-O 3.19Å; I95-A98 HydrophobicContact CG2-CB 3.7Å
99	M	92.1	Very high	89.9	Confident	48 Å²	48	67.2 Å²	67.2	24%	0.236	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.7	-170.5	-57.2	169.8	-166.6	0	0	110.5	H27 V29 A89 R90 W102	H27-M99 HydrophobicContact CB-CE 3.84Å; H27-M99 HydrophobicContact CB-SD 4.24Å; H27-M99 VanDerWaalsContact CG-CE 3.43Å; V29-M99 HydrophobicContact CG2-CE 4.14Å; V29-M99 HydrophobicContact CG2-SD 3.91Å; A89-M99 HydrophobicContact CB-CB 4.15Å; A89-M99 HydrophobicContact CB-CG 4.21Å; A89-M99 HydrophobicContact CB-SD 3.79Å; R90-M99 VanDerWaalsContact O-CA 3.28Å; R90-M99 WeakPolarHBondContact O-CA 3.39Å; M99-W102 HydrophobicContact CB-CZ2 3.86Å; M99-W102 HydrophobicContact CG-CZ2 4.38Å; M99-W102 HydrophobicContact SD-CH2 3.79Å; M99-W102 HydrophobicContact SD-CZ2 3.6Å
100	D	90	Very high	89.6	Confident	69 Å²	69	67.5 Å²	67.5	37%	0.369	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-19	-173.5	62.8	-8.3	0	0	0	114.3	R90 L92	R90-D100 IonicContact CZ-OD1 3.43Å; R90-D100 IonicContact CZ-OD2 3.62Å; R90-D100 IonicContact NE-OD1 2.95Å; R90-D100 PolarHBondContact NE-OD1 3.03Å; R90-D100 IonicContact NE-OD2 3.82Å; R90-D100 IonicContact NH2-OD1 3.12Å; R90-D100 PolarHBondContact NH2-OD1 2.98Å; R90-D100 VanDerWaalsContact NH2-OD1 3.12Å; R90-D100 IonicContact NH2-OD2 2.65Å; R90-D100 PolarHBondContact NH2-OD2 2.9Å; R90-D100 PolarHBondContact O-N 3.43Å; L92-D100 HydrophobicContact CD1-CB 4.45Å; L92-D100 HydrophobicContact CD2-CB 3.81Å; L92-D100 WeakPolarHBondContact CD2-OD2 3.44Å; L92-D100 HydrophobicContact CG-CB 3.91Å
101	Y	91.9	Very high	89.1	Confident	101 Å²	101	67.7 Å²	67.7	40%	0.396	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129	178.5	-168.8	-89.5	0	0	0	110.9	F19 A89 R90	F19-Y101 HydrophobicContact CD1-CD1 4.46Å; F19-Y101 AromaticContact CE1-CD1 3.76Å; F19-Y101 HydrophobicContact CE1-CD1 3.76Å; F19-Y101 AromaticContact CE1-CE1 3.92Å; F19-Y101 HydrophobicContact CE1-CE1 3.92Å; F19-Y101 HydrophobicContact CE1-CG 4.29Å; A89-Y101 CarbonylContact C-O 3.42Å; A89-Y101 WeakPolarHBondContact CA-O 3.4Å; R90-Y101 PolarHBondContact N-O 3.09Å
102	W	95.6	Very high	87.7	Confident	97 Å²	97	74.3 Å²	74.3	37%	0.367	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.2	-174.2	-68.2	76.9	0	0	0	111.5	V29 L37 Y87 A89 M99	V29-W102 HydrophobicContact CB-CH2 4.01Å; V29-W102 HydrophobicContact CB-CZ3 3.68Å; V29-W102 HydrophobicContact CG1-CH2 3.9Å; V29-W102 HydrophobicContact CG1-CZ3 3.8Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.82Å; L37-W102 HydrophobicContact CD1-CH2 4.03Å; L37-W102 HydrophobicContact CD1-CZ3 4.32Å; L37-W102 HydrophobicContact CD2-CZ3 4.34Å; Y87-W102 HydrophobicContact CG-CE3 4.44Å; A89-W102 HydrophobicContact CB-CD2 3.79Å; A89-W102 HydrophobicContact CB-CE3 3.91Å; A89-W102 HydrophobicContact CB-CG 4.28Å; A89-W102 HydrophobicContact CB-CH2 4.38Å; A89-W102 HydrophobicContact CB-CZ2 4.26Å; A89-W102 HydrophobicContact CB-CZ3 4.22Å; M99-W102 HydrophobicContact CB-CZ2 3.86Å; M99-W102 HydrophobicContact CG-CZ2 4.38Å; M99-W102 HydrophobicContact SD-CH2 3.79Å; M99-W102 HydrophobicContact SD-CZ2 3.6Å
103	G	95.2	Very high	87.7	Confident	19 Å²	19	75.1 Å²	75.1	20%	0.196	42%	0.421	C	S	.	.			trans	-74.5	166	170.4	0	0	0	0	0	112.3	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.47Å; C88-G103 PolarHBondContact O-N 3.02Å; G103-G105 PolarHBondContact O-N 3.2Å; G103-G105 VanDerWaalsContact O-N 3.15Å
104	Q	94.2	Very high	88.1	Confident	192 Å²	192	74.1 Å²	74.1	90%	0.897	41%	0.411	S	S	*	.			trans	-66.2	-14.9	-179.4	-65.8	-64.1	-33	0	0	114.3
105	G	95.1	Very high	88.7	Confident	26 Å²	26	73.4 Å²	73.4	27%	0.268	39%	0.385	S	S	.	.			trans	88.7	156.2	-177.5	0	0	0	0	0	113.5	Y86 G103	Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.25Å; G103-G105 PolarHBondContact O-N 3.2Å; G103-G105 VanDerWaalsContact O-N 3.15Å
106	T	95.6	Very high	89	Confident	53 Å²	53	74 Å²	74	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.1	173.6	-90.2	0	0	0	0	110	L12 Y86 V108	L12-T106 HydrophobicContact CD2-CG2 3.99Å; Y86-T106 PolarHBondContact N-O 3.2Å; Y86-T106 PolarHBondContact O-N 3.19Å; T106-V108 HydrophobicContact CG2-CG2 4.5Å
107	S	95.4	Very high	89.9	Confident	53 Å²	53	69.4 Å²	69.4	37%	0.371	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.4	174.9	179	0	0	0	0	112	G1 R10	G1-S107 WeakPolarHBondContact CA-O 3.14Å; R10-S107 PolarHBondContact NH1-O 3.02Å; R10-S107 PolarHBondContact NH2-O 3.07Å
108	V	94.9	Very high	90.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.6	170.6	-178.3	0	0	0	0	107.6	L12 M75 T83 A84 Y86 T106 V110	L12-V108 HydrophobicContact CD1-CG2 4.03Å; L12-V108 HydrophobicContact CD2-CG2 3.84Å; M75-V108 HydrophobicContact CE-CG1 4.15Å; M75-V108 HydrophobicContact CE-CG2 4.06Å; T83-V108 WeakPolarHBondContact CA-O 3.46Å; A84-V108 PolarHBondContact N-O 2.83Å; A84-V108 PolarHBondContact O-N 3.21Å; Y86-V108 HydrophobicContact CD2-CB 3.91Å; Y86-V108 HydrophobicContact CD2-CG2 3.54Å; Y86-V108 HydrophobicContact CE2-CB 3.76Å; Y86-V108 HydrophobicContact CE2-CG1 4.45Å; Y86-V108 HydrophobicContact CE2-CG2 3.82Å; Y86-V108 HydrophobicContact CG-CG2 4.42Å; T106-V108 HydrophobicContact CG2-CG2 4.5Å; V108-V110 HydrophobicContact CG1-CG2 4.3Å
109	T	94.3	Very high	91.1	Very high	54 Å²	54	64.7 Å²	64.7	33%	0.331	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.9	177.9	-54.2	0	0	0	0	108.3	L3 V4 T83	L3-T109 HydrophobicContact CD1-CG2 4.22Å; V4-T109 PolarHBondContact N-O 2.98Å; T83-T109 HydrophobicContact CG2-CG2 4.42Å
110	V	90.7	Very high	91	Very high	7 Å²	7	66 Å²	66	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	107.7	176.4	-172.4	0	0	0	0	107.8	V4 P6 L78 R79 T83 V108	V4-V110 VanDerWaalsContact O-CA 3.29Å; V4-V110 WeakPolarHBondContact O-CA 3.46Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.17Å; L78-V110 HydrophobicContact CB-CG1 4.38Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.44Å; L78-V110 HydrophobicContact CD2-CG2 4.3Å; R79-V110 WeakPolarHBondContact O-CB 3.24Å; T83-V110 PolarHBondContact OG1-N 3.06Å; T83-V110 PolarHBondContact OG1-O 2.8Å; V108-V110 HydrophobicContact CG1-CG2 4.3Å
111	S	84.6	Confident	91.1	Very high	44 Å²	44	65.8 Å²	65.8	31%	0.308	38%	0.375	S	S	.	.			trans	-137.1	142.1	-178.5	61.4	0	0	0	0	109.8	L3 V4 Q5	L3-S111 VanDerWaalsContact CD1-OG 3.28Å; L3-S111 WeakPolarHBondContact CD1-OG 3.38Å; V4-S111 PolarHBondContact O-N 2.78Å; Q5-S111 PolarHBondContact OE1-O 3.42Å
112	S	65.5	Low	91	Very high	143 Å²	143	62.5 Å²	62.5	100%	1	37%	0.373	S	S	*	.			trans	-66.3	0	168.8	56.5	0	0	0	0	111.2	Q5	Q5-S112 PolarHBondContact NE2-OXT 3.02Å; Q5-S112 PolarHBondContact OE1-OXT 3.1Å

Retrieved 112 of 112 residues in 30.8 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).