X5J4U0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4U0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J4U0_MOUSE|X5J4U0
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADESSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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(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	P	64.8	Low	89.6	Confident	146 Å²	146	81 Å²	81	95%	0.948	47%	0.468	S	S	*	.				0	118.9	0	-13.9	30.8	0	0	0	109.8	T102	P1-T102 CarbonylContact C-O 3.51Å; P1-T102 WeakPolarHBondContact CA-O 3.37Å; P1-T102 HydrophobicContact CB-CG2 4.39Å
2	E	80.9	Confident	90.2	Very high	83 Å²	83	74.8 Å²	74.8	39%	0.388	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.6	178.5	-164.3	175.9	168.2	0	0	109.2	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.91Å; E2-V10 VanDerWaalsContact CD-CG2 3.4Å; E2-V10 VanDerWaalsContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; E2-T102 PolarHBondContact N-O 3.47Å; E2-L103 HydrophobicContact CB-CD1 4.05Å; E2-L103 HydrophobicContact CG-CD1 4.45Å; E2-T104 PolarHBondContact O-N 3.42Å
3	L	88.9	Confident	90.7	Very high	131 Å²	131	74.6 Å²	74.6	69%	0.686	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.1	176.7	-178.8	66.8	0	0	0	108.8	T104	L3-T104 WeakPolarHBondContact CA-O 3.48Å; L3-T104 HydrophobicContact CD1-CG2 3.89Å
4	V	92.1	Very high	91.1	Very high	18 Å²	18	70.3 Å²	70.3	11%	0.109	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.9	-175.3	-59.4	0	0	0	0	111.5	E2 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.91Å; V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-L103 HydrophobicContact CG1-CD1 3.98Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.43Å; V4-T104 PolarHBondContact N-O 3.34Å; V4-V105 HydrophobicContact CG2-CB 4.22Å; V4-V105 HydrophobicContact CG2-CG1 4.3Å; V4-V105 HydrophobicContact CG2-CG2 3.73Å; V4-V105 CarbonylContact O-C 3.52Å; V4-V105 WeakPolarHBondContact O-CA 3.44Å; V4-S106 PolarHBondContact O-N 2.62Å; V4-S106 PolarHBondContact O-OG 3.02Å
5	K	91.6	Very high	91.4	Very high	163 Å²	163	76.2 Å²	76.2	71%	0.709	43%	0.432	S	S	*	.			trans	-80.8	153.1	176.1	-63.6	-178.1	-178.5	-179.5	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.26Å
6	P	93.6	Very high	91.4	Very high	69 Å²	69	72.2 Å²	72.2	45%	0.448	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	145.2	168.9	-26.8	36.5	0	0	0	112	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V105 HydrophobicContact CG-CG1 4.31Å; P6-S106 WeakPolarHBondContact CD-O 3.4Å; P6-S106 WeakPolarHBondContact CG-O 3.33Å
7	G	92.5	Very high	91.4	Very high	52 Å²	52	74 Å²	74	54%	0.536	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-12.5	-178.8	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.93Å
8	A	94.1	Very high	91.2	Very high	36 Å²	36	74.8 Å²	74.8	30%	0.298	46%	0.456	S	S	.	.			trans	-65.9	163.9	175.4	0	0	0	0	0	111.8	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.26Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 2.02Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	95.2	Very high	90.8	Very high	68 Å²	68	74 Å²	74	48%	0.476	44%	0.444	S	S	.	.			trans	-115.5	142.9	169	-57.6	0	0	0	0	109.5	L75 S76	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; S9-S76 WeakPolarHBondContact OG-CA 3.25Å
10	V	95.5	Very high	90.8	Very high	5 Å²	5	73.4 Å²	73.4	3%	0.03	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.6	177.9	69.5	0	0	0	0	110.2	E2 I12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact CD-CG2 3.4Å; E2-V10 VanDerWaalsContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 HydrophobicContact CG2-CG1 4.49Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.3Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L103 HydrophobicContact CB-CD1 4.43Å; V10-L103 HydrophobicContact CG1-CD1 4.12Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.25Å
11	K	96.5	Very high	90.8	Very high	120 Å²	120	70.1 Å²	70.1	52%	0.522	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.5	174.6	-173.8	177.1	178.3	-177.6	0	109.3	Y72	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å
12	I	96.6	Very high	92.2	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.2	177.6	-57.8	174.9	0	0	0	108	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 HydrophobicContact CG2-CG1 4.49Å; I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 4.02Å; I12-W28 HydrophobicContact CG2-CZ3 3.67Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 VanDerWaalsContact O-CA 3.25Å; I12-Y72 WeakPolarHBondContact O-CA 3.43Å; I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 PolarHBondContact N-O 3.17Å; I12-M73 PolarHBondContact O-N 3.2Å; I12-L75 HydrophobicContact CD1-CD1 4.33Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; I12-T101 HydrophobicContact CG2-CG2 4.36Å
13	S	96.8	Very high	92.7	Very high	73 Å²	73	64.6 Å²	64.6	51%	0.51	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	151.2	178	61.5	0	0	0	0	111.8	A71	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å
14	C	96.1	Very high	92.7	Very high	14 Å²	14	59.5 Å²	59.5	10%	0.095	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	109.2	172.5	176.9	0	0	0	0	109.4	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-W28 HydrophobicContact CB-CZ3 4.5Å; C14-T70 WeakPolarHBondContact O-CA 3.28Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 3.28Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.11Å
15	K	95.4	Very high	92.8	Very high	159 Å²	159	61.9 Å²	61.9	69%	0.691	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.4	178.1	-172.7	171.5	-176.1	175.5	0	110.1
16	A	92.6	Very high	93	Very high	12 Å²	12	54.3 Å²	54.3	10%	0.099	35%	0.351	C	S	.	.			trans	-80.5	151.3	174.8	0	0	0	0	0	111.3	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; A16-F21 HydrophobicContact CB-CB 4.24Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.99Å; A16-F21 HydrophobicContact CB-CG 4.09Å; A16-M26 HydrophobicContact CB-CE 4.26Å; A16-S69 PolarHBondContact N-O 3.03Å
17	S	90.6	Very high	93.2	Very high	103 Å²	103	51.5 Å²	51.5	72%	0.72	33%	0.332	S	S	*	.			trans	-151.2	154	172.9	60.3	0	0	0	0	110.3	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 2.99Å
18	G	87.1	Confident	93.4	Very high	88 Å²	88	49.1 Å²	49.1	91%	0.907	31%	0.307	S	S	*	.	S	Bend	trans	78.4	11.4	175	0	0	0	0	0	116
19	Y	85.1	Confident	93.5	Very high	60 Å²	60	47.5 Å²	47.5	24%	0.235	29%	0.293	C	S	.	.	S	Bend	trans	-157.6	167.5	172.7	67.7	-82.1	0	0	0	111.4	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 2.99Å; Y19-F21 PolarHBondContact O-N 3.14Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; Y19-M26 WeakPolarHBondContact OH-CE 3.35Å; Y19-R90 HydrophobicContact CE2-CG 4.26Å
20	A	90.2	Very high	93.6	Very high	62 Å²	62	44.4 Å²	44.4	51%	0.512	27%	0.271	S	S	.	.			trans	-72.6	99.8	173.7	0	0	0	0	0	110.4	S22 S23	A20-S22 VanDerWaalsContact C-N 3.29Å; A20-S22 PolarHBondContact O-N 3.25Å; A20-S23 WeakPolarHBondContact CB-OG 3.45Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.49Å
21	F	91.6	Very high	93.6	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.7	-39.5	-174	176.2	-113.8	0	0	0	113.8	A16 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.24Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.99Å; A16-F21 HydrophobicContact CB-CG 4.09Å; Y19-F21 PolarHBondContact O-N 3.14Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; F21-S23 PolarHBondContact O-N 2.84Å; F21-M26 HydrophobicContact CD2-CE 4.36Å; F21-M26 HydrophobicContact CE2-CE 3.83Å; F21-P45 HydrophobicContact CD1-CB 3.71Å; F21-P45 HydrophobicContact CD1-CG 4.02Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.38Å; F21-P45 HydrophobicContact CE1-CG 3.63Å; F21-P45 HydrophobicContact CE2-CB 4.34Å; F21-P45 HydrophobicContact CE2-CG 3.64Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.41Å; F21-P45 VanDerWaalsContact CZ-CG 3.41Å; F21-P45 WeakPolarHBondContact O-CG 3.46Å; F21-A64 HydrophobicContact CE1-CB 4.08Å; F21-A64 HydrophobicContact CZ-CB 4.06Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 3.92Å
22	S	92.8	Very high	93.4	Very high	48 Å²	48	45.2 Å²	45.2	34%	0.336	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.9	-11.1	178.5	53.8	0	0	0	0	114.8	A20 Y44 G46 E66	A20-S22 VanDerWaalsContact C-N 3.29Å; A20-S22 PolarHBondContact O-N 3.25Å; S22-Y44 WeakPolarHBondContact O-CE1 3.17Å; S22-G46 VanDerWaalsContact O-CA 3.3Å; S22-G46 WeakPolarHBondContact O-CA 3.29Å; S22-G46 PolarHBondContact O-N 2.85Å; S22-E66 WeakPolarHBondContact CB-OE2 3.19Å
23	S	91.2	Very high	93	Very high	64 Å²	64	50.6 Å²	50.6	45%	0.448	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-104.2	9.5	-176.4	71.1	0	0	0	0	114.5	A20 F21 Y44	A20-S23 WeakPolarHBondContact CB-OG 3.45Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.49Å; F21-S23 PolarHBondContact O-N 2.84Å; S23-Y44 WeakPolarHBondContact CA-OH 3.4Å
24	S	90.7	Very high	92.7	Very high	25 Å²	25	51.4 Å²	51.4	18%	0.175	33%	0.329	C	S	.	.	S	Bend	trans	-145.3	141.8	-174.1	-60.7	0	0	0	0	112.7	P45	S24-P45 WeakPolarHBondContact O-CD 3.37Å
25	W	93.8	Very high	92.4	Very high	67 Å²	67	57.5 Å²	57.5	25%	0.254	35%	0.354	S	S	.	.			trans	-62.8	138.1	173	-70.3	96.5	0	0	0	111.6	R42 I43 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.18Å; W25-R42 HydrophobicContact CE3-CB 3.95Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; W25-I43 WeakPolarHBondContact CA-O 3.39Å; W25-Y44 AromaticContact CD1-CD2 3.89Å; W25-Y44 AromaticContact CD2-CD2 3.87Å; W25-Y44 HydrophobicContact CD2-CD2 3.87Å; W25-Y44 HydrophobicContact CD2-CG 4.33Å; W25-Y44 AromaticContact CE2-CD2 3.74Å; W25-Y44 HydrophobicContact CE3-CD2 4.49Å; W25-Y44 AromaticContact CG-CD2 3.97Å; W25-Y44 HydrophobicContact CG-CD2 3.97Å; W25-Y44 HydrophobicContact CZ2-CD2 4.29Å; W25-Y44 HydrophobicContact CZ2-CG 4.27Å; W25-Y44 AromaticContact NE1-CD2 3.72Å; W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.31Å; W25-R90 WeakPolarHBondContact O-CA 3.3Å; W25-R90 VanDerWaalsContact O-O 3.06Å
26	M	95.7	Very high	92.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.02	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114	166.7	-174	66.4	73.1	0	0	109.1	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.35Å; F21-M26 HydrophobicContact CD2-CE 4.36Å; F21-M26 HydrophobicContact CE2-CE 3.83Å; M26-R42 CarbonylContact O-C 3.56Å; M26-R42 WeakPolarHBondContact O-CA 3.47Å; M26-R42 WeakPolarHBondContact O-CB 3.27Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.88Å; M26-I43 PolarHBondContact O-N 2.7Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CE-CB 4.49Å; M26-A71 HydrophobicContact CG-CB 3.67Å; M26-C88 HydrophobicContact CG-CB 4.36Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.6	Very high	92.2	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.059	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.2	177.3	-59.2	-91.3	0	0	0	110.5	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.31Å; N27-W39 VanDerWaalsContact OD1-NE1 3.14Å; N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 2.99Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.12Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 2.97Å; N27-A89 WeakPolarHBondContact CA-O 3.33Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.38Å; N27-A89 PolarHBondContact N-O 3.26Å; N27-A89 PolarHBondContact ND2-O 3.16Å; N27-A89 PolarHBondContact O-N 3.1Å; N27-R90 PolarHBondContact ND2-O 3.06Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; N27-L92 HydrophobicContact CB-CD1 3.76Å; N27-L92 HydrophobicContact CB-CG 4.17Å
28	W	97.6	Very high	92.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.4	172.9	-69.9	92.3	0	0	0	110	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 4.02Å; I12-W28 HydrophobicContact CG2-CZ3 3.67Å; C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-W28 HydrophobicContact CB-CZ3 4.5Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.91Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-L62 HydrophobicContact CB-CD2 4.48Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; W28-A71 HydrophobicContact CZ2-CB 4.15Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.46Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-F87 CarbonylContact C-O 3.35Å; W28-F87 WeakPolarHBondContact CA-O 3.47Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.21Å
29	V	96.8	Very high	92.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.9	-172.1	-175.5	0	0	0	0	109.6	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; V29-F87 PolarHBondContact N-O 2.91Å; V29-F87 PolarHBondContact O-N 2.88Å; V29-L92 HydrophobicContact CG2-CD1 4.13Å; V29-L92 HydrophobicContact CG2-CD2 4.35Å; V29-W97 HydrophobicContact CB-CH2 4.35Å; V29-W97 HydrophobicContact CB-CZ3 3.95Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.18Å; V29-W97 HydrophobicContact CG2-CH2 3.96Å; V29-W97 HydrophobicContact CG2-CZ3 3.86Å
30	K	96.1	Very high	93.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.4	173.7	-177.2	176.6	-178.6	174.7	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.66Å; K30-E38 PolarHBondContact O-N 2.95Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4.05Å; K30-E81 PolarHBondContact NZ-O 2.86Å; K30-D82 IonicContact NZ-OD1 3.28Å; K30-D82 PolarHBondContact NZ-OD1 2.71Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.23Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	95.8	Very high	93.8	Very high	75 Å²	75	46.6 Å²	46.6	35%	0.35	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.3	170	-166.9	-178.7	35.4	0	0	110.1	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; Q31-V85 PolarHBondContact N-O 2.76Å; Q31-V85 PolarHBondContact O-N 2.82Å; Q31-F87 HydrophobicContact CB-CD2 4.32Å; Q31-F87 HydrophobicContact CB-CE2 3.77Å
32	R	93.2	Very high	94.1	Very high	68 Å²	68	50.7 Å²	50.7	26%	0.257	29%	0.289	S	S	.	.			trans	-89.5	146.5	171.7	-69.7	172.1	172.6	153.7	-13.7	110.1	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.81Å; R32-K35 HydrophobicContact CB-CB 3.95Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 3.03Å; R32-E38 IonicContact CZ-OE2 3.91Å; R32-E38 IonicContact NH1-OE2 3.27Å; R32-E38 PolarHBondContact NH1-OE2 3.35Å; R32-E81 PolarHBondContact NE-O 3.45Å; R32-E81 PolarHBondContact NH2-O 2.84Å; R32-E81 IonicContact NH2-OE2 3.89Å; R32-A84 HydrophobicContact CG-CB 4.14Å
33	P	88.2	Confident	94.3	Very high	118 Å²	118	48.6 Å²	48.6	77%	0.766	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.6	172.9	-25.6	34.4	0	0	0	111.5	K35	P33-K35 PolarHBondContact O-N 3.16Å
34	G	89.6	Confident	94.5	Very high	90 Å²	90	48.4 Å²	48.4	93%	0.928	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	10.3	-179.3	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.81Å
35	K	90.9	Very high	94.8	Very high	143 Å²	143	47.5 Å²	47.5	62%	0.622	26%	0.258	S	S	*	.	S	Bend	trans	-120.8	161.9	174.8	-58.4	-66.9	-176.5	-179.5	0	110.9	R32 P33	R32-K35 HydrophobicContact CB-CB 3.95Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 3.03Å; P33-K35 PolarHBondContact O-N 3.16Å
36	G	90.5	Very high	94.8	Very high	54 Å²	54	45.9 Å²	45.9	56%	0.557	26%	0.262	S	S	*	.			trans	-69.2	175.6	173.5	0	0	0	0	0	113.2
37	L	93.5	Very high	94.8	Very high	94 Å²	94	51.1 Å²	51.1	49%	0.492	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.6	173.1	-64.5	173.4	0	0	0	110.3	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.3Å
38	E	95.4	Very high	94.7	Very high	41 Å²	41	52.5 Å²	52.5	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.6	175	-63.4	-171.2	86.2	0	0	109.3	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.66Å; K30-E38 PolarHBondContact O-N 2.95Å; R32-E38 IonicContact CZ-OE2 3.91Å; R32-E38 IonicContact NH1-OE2 3.27Å; R32-E38 PolarHBondContact NH1-OE2 3.35Å; E38-I40 PolarHBondContact O-N 2.92Å; E38-K55 IonicContact OE1-NZ 3.66Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	96	Very high	94.7	Very high	66 Å²	66	56.6 Å²	56.6	25%	0.25	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128	175.6	-177.7	78.8	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.31Å; N27-W39 VanDerWaalsContact OD1-NE1 3.14Å; W39-G41 PolarHBondContact NE1-O 2.87Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; W39-N51 HydrophobicContact CH2-CB 4.37Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.25Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.46Å; W39-N53 PolarHBondContact O-ND2 2.96Å; W39-L92 VanDerWaalsContact CD1-CD1 3.47Å
40	I	97.3	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-48.5	-176.9	-59.5	175.2	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.91Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 2.92Å; I40-N53 WeakPolarHBondContact O-CB 3.24Å; I40-N53 PolarHBondContact O-N 3.28Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 4.06Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	97.2	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-178.7	-172.9	0	0	0	0	0	111.6	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 2.99Å; W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 PolarHBondContact NE1-O 2.87Å; G41-N51 CarbonylContact C-O 3.46Å; G41-N51 WeakPolarHBondContact CA-O 3.21Å
42	R	97.1	Very high	94.8	Very high	90 Å²	90	61.5 Å²	61.5	34%	0.34	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.1	173.8	67	-176.4	-173.5	-169.4	-0	111.3	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.18Å; W25-R42 HydrophobicContact CE3-CB 3.95Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; M26-R42 CarbonylContact O-C 3.56Å; M26-R42 WeakPolarHBondContact O-CA 3.47Å; M26-R42 WeakPolarHBondContact O-CB 3.27Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.12Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; R42-T50 WeakPolarHBondContact O-CA 3.47Å; R42-N51 HydrophobicContact CG-CB 4.14Å; R42-N51 PolarHBondContact N-O 2.93Å; R42-N51 PolarHBondContact O-N 3.02Å
43	I	97.6	Very high	94.9	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.7	173.4	-176.4	165.7	0	0	0	109.8	W25 M26 P45 D49 T50 L62 T63 A64 A71	W25-I43 WeakPolarHBondContact CA-O 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.88Å; M26-I43 PolarHBondContact O-N 2.7Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; I43-D49 CarbonylContact C-O 3.53Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.49Å; I43-L62 HydrophobicContact CD1-CB 4.43Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; I43-T63 VanDerWaalsContact CD1-C 3.47Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	Y	96.2	Very high	95.2	Very high	61 Å²	61	58 Å²	58	24%	0.239	35%	0.351	C	S	.	.			trans	-96.9	109.4	168.6	-167.3	-102.6	0	0	0	108.1	S22 S23 W25 G46 D47 G48 D49	S22-Y44 WeakPolarHBondContact O-CE1 3.17Å; S23-Y44 WeakPolarHBondContact CA-OH 3.4Å; W25-Y44 AromaticContact CD1-CD2 3.89Å; W25-Y44 AromaticContact CD2-CD2 3.87Å; W25-Y44 HydrophobicContact CD2-CD2 3.87Å; W25-Y44 HydrophobicContact CD2-CG 4.33Å; W25-Y44 AromaticContact CE2-CD2 3.74Å; W25-Y44 HydrophobicContact CE3-CD2 4.49Å; W25-Y44 AromaticContact CG-CD2 3.97Å; W25-Y44 HydrophobicContact CG-CD2 3.97Å; W25-Y44 HydrophobicContact CZ2-CD2 4.29Å; W25-Y44 HydrophobicContact CZ2-CG 4.27Å; W25-Y44 AromaticContact NE1-CD2 3.72Å; Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 PolarHBondContact O-N 3.24Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.39Å; Y44-G48 VanDerWaalsContact O-CA 3.31Å; Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 3.43Å; Y44-D49 PolarHBondContact N-O 3.4Å
45	P	95.6	Very high	95.3	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.039	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.3	-169.9	-25.3	36.3	0	0	0	114.4	F21 S24 I43 D47 A64 E66	F21-P45 HydrophobicContact CD1-CB 3.71Å; F21-P45 HydrophobicContact CD1-CG 4.02Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.38Å; F21-P45 HydrophobicContact CE1-CG 3.63Å; F21-P45 HydrophobicContact CE2-CB 4.34Å; F21-P45 HydrophobicContact CE2-CG 3.64Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.41Å; F21-P45 VanDerWaalsContact CZ-CG 3.41Å; F21-P45 WeakPolarHBondContact O-CG 3.46Å; S24-P45 WeakPolarHBondContact O-CD 3.37Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-D47 VanDerWaalsContact C-N 3.35Å; P45-D47 PolarHBondContact O-N 2.92Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.17Å; P45-E66 HydrophobicContact CB-CG 4.46Å
46	G	94.4	Very high	95.5	Very high	33 Å²	33	55 Å²	55	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.2	-173.7	0	0	0	0	0	116.1	S22 Y44	S22-G46 VanDerWaalsContact O-CA 3.3Å; S22-G46 WeakPolarHBondContact O-CA 3.29Å; S22-G46 PolarHBondContact O-N 2.85Å; Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 PolarHBondContact O-N 3.24Å
47	D	94.8	Very high	95.6	Very high	114 Å²	114	60.3 Å²	60.3	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-5.7	174.2	62.4	14.5	0	0	0	113.3	Y44 P45 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.39Å; P45-D47 VanDerWaalsContact C-N 3.35Å; P45-D47 PolarHBondContact O-N 2.92Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 VanDerWaalsContact OD1-CB 3.28Å; D47-D49 WeakPolarHBondContact OD1-CB 2.97Å; D47-D49 PolarHBondContact OD1-N 2.99Å
48	G	95.1	Very high	95.5	Very high	40 Å²	40	59 Å²	59	41%	0.412	33%	0.329	S	S	.	.			trans	77.6	10.5	-179.1	0	0	0	0	0	114.3	Y44	Y44-G48 VanDerWaalsContact O-CA 3.31Å; Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 3.43Å
49	D	96.7	Very high	95.5	Very high	88 Å²	88	59 Å²	59	47%	0.471	33%	0.328	S	S	.	.			trans	-61.3	139.8	177.6	-172.3	24.6	0	0	0	110.6	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.31Å; I43-D49 CarbonylContact C-O 3.53Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.46Å; Y44-D49 PolarHBondContact N-O 3.4Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 VanDerWaalsContact OD1-CB 3.28Å; D47-D49 WeakPolarHBondContact OD1-CB 2.97Å; D47-D49 PolarHBondContact OD1-N 2.99Å
50	T	97.6	Very high	95.5	Very high	48 Å²	48	56 Å²	56	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.7	-176	54.8	0	0	0	0	111.8	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; T50-L62 HydrophobicContact CG2-CB 4.14Å
51	N	96.6	Very high	95.6	Very high	78 Å²	78	59.2 Å²	59.2	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137	171.4	-173.9	-128	0	0	0	109.9	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.37Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.25Å; G41-N51 CarbonylContact C-O 3.46Å; G41-N51 WeakPolarHBondContact CA-O 3.21Å; R42-N51 HydrophobicContact CG-CB 4.14Å; R42-N51 PolarHBondContact N-O 2.93Å; R42-N51 PolarHBondContact O-N 3.02Å
52	Y	97.3	Very high	95.6	Very high	56 Å²	56	59.6 Å²	59.6	22%	0.22	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.7	-174.2	-66.7	-91.7	0	0	0	110.7	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.18Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.29Å
53	N	96	Very high	95.6	Very high	49 Å²	49	58.4 Å²	58.4	26%	0.262	34%	0.342	S	S	.	.			trans	-70.7	134.1	158.2	-177.3	-24.1	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.46Å; W39-N53 PolarHBondContact O-ND2 2.96Å; I40-N53 WeakPolarHBondContact O-CB 3.24Å; I40-N53 PolarHBondContact O-N 3.28Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.28Å; N53-K57 PolarHBondContact O-N 3.18Å
54	G	94.1	Very high	95.6	Very high	64 Å²	64	59.9 Å²	59.9	66%	0.66	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.1	-178.7	0	0	0	0	0	114	F56 K57	G54-F56 PolarHBondContact O-N 2.81Å; G54-K57 PolarHBondContact O-N 2.88Å
55	K	92.3	Very high	95.6	Very high	155 Å²	155	59.7 Å²	59.7	67%	0.674	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.5	-27.8	177.2	-67.1	-174	-177.9	-178.6	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.66Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å
56	F	94.4	Very high	95.5	Very high	14 Å²	14	63.9 Å²	63.9	6%	0.061	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-109.5	-2.3	-174.3	-62.7	-85.2	0	0	0	112.8	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4.05Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.28Å; G54-F56 PolarHBondContact O-N 2.81Å; F56-G58 PolarHBondContact O-N 3.32Å; F56-K59 WeakPolarHBondContact O-CB 3.34Å; F56-K59 PolarHBondContact O-N 3.01Å; F56-A60 HydrophobicContact CB-CB 4.48Å; F56-A60 PolarHBondContact O-N 2.82Å
57	K	92.4	Very high	95.4	Very high	166 Å²	166	67.6 Å²	67.6	72%	0.722	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-62.1	125.8	175.9	-166.8	173.3	-176.7	177.5	0	109.4	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.18Å; G54-K57 PolarHBondContact O-N 2.88Å; K57-K59 PolarHBondContact O-N 3.48Å
58	G	91.8	Very high	95.5	Very high	67 Å²	67	64 Å²	64	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-18.9	-175.2	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.32Å
59	K	94.8	Very high	95.5	Very high	40 Å²	40	64 Å²	64	17%	0.174	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-40	173.4	-175.7	68.6	176.4	-167.1	0	112.2	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.34Å; F56-K59 PolarHBondContact O-N 3.01Å; K57-K59 PolarHBondContact O-N 3.48Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.4Å; K59-S76 PolarHBondContact NZ-O 3.14Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.9Å; K59-S77 VanDerWaalsContact NZ-C 3.33Å; K59-S77 PolarHBondContact NZ-O 2.77Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 3.2Å
60	A	97.1	Very high	95.5	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.4	179.5	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.18Å; F56-A60 HydrophobicContact CB-CB 4.48Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61	T	97.9	Very high	95.5	Very high	68 Å²	68	58 Å²	58	42%	0.417	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.9	168.6	-58.9	0	0	0	0	108.4	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.48Å; T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 2.98Å
62	L	98.1	Very high	95.6	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	178.7	-53.3	-176	0	0	0	110.2	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.48Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.49Å; I43-L62 HydrophobicContact CD1-CB 4.43Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; T50-L62 HydrophobicContact CG2-CB 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.29Å; L62-Y72 WeakPolarHBondContact CA-O 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.29Å
63	T	97.8	Very high	95.6	Very high	64 Å²	64	54 Å²	54	39%	0.393	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.9	173.6	58.4	0	0	0	0	110.3	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.47Å; T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-A71 CarbonylContact O-C 3.57Å; T63-Y72 PolarHBondContact N-O 3.31Å; T63-Y72 PolarHBondContact O-N 3.04Å
64	A	97.3	Very high	95.7	Very high	36 Å²	36	56 Å²	56	30%	0.298	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.3	176.3	0	0	0	0	0	110.2	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.08Å; F21-A64 HydrophobicContact CZ-CB 4.06Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.17Å
65	D	95.9	Very high	95.8	Very high	56 Å²	56	53 Å²	53	30%	0.299	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	106.3	170.4	172.2	11.9	0	0	0	107.8	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.86Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; D65-S69 WeakPolarHBondContact O-CA 3Å; D65-S69 PolarHBondContact O-N 2.78Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	E	93.6	Very high	95.9	Very high	94 Å²	94	47.2 Å²	47.2	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37	-179.5	-68.4	-173.3	-134.8	0	0	112.3	S22 P45 S68 S69	S22-E66 WeakPolarHBondContact CB-OE2 3.19Å; P45-E66 HydrophobicContact CB-CG 4.46Å; E66-S68 VanDerWaalsContact C-N 3.3Å; E66-S68 PolarHBondContact O-N 2.81Å; E66-S69 PolarHBondContact O-N 3.25Å
67	S	92.6	Very high	95.9	Very high	111 Å²	111	50.2 Å²	50.2	78%	0.776	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.9	-175.6	74.4	0	0	0	0	112	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.86Å
68	S	95.4	Very high	96	Very high	38 Å²	38	42.4 Å²	42.4	27%	0.266	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	1	176.2	66.8	0	0	0	0	113.4	D65 E66 T70	D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; E66-S68 VanDerWaalsContact C-N 3.3Å; E66-S68 PolarHBondContact O-N 2.81Å; S68-T70 PolarHBondContact O-N 2.98Å; S68-T70 PolarHBondContact O-OG1 2.84Å; S68-T70 WeakPolarHBondContact OG-CB 2.98Å; S68-T70 PolarHBondContact OG-OG1 3.03Å
69	S	95.8	Very high	96.2	Very high	40 Å²	40	42.1 Å²	42.1	28%	0.28	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	41.6	-173.2	-63.3	0	0	0	0	112.7	A16 F21 D65 E66	A16-S69 PolarHBondContact N-O 3.03Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3Å; D65-S69 PolarHBondContact O-N 2.78Å; E66-S69 PolarHBondContact O-N 3.25Å
70	T	97.1	Very high	96	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	-173	-56.7	0	0	0	0	111	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.28Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.98Å; S68-T70 PolarHBondContact O-OG1 2.84Å; S68-T70 WeakPolarHBondContact OG-CB 2.98Å; S68-T70 PolarHBondContact OG-OG1 3.03Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.5Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å; T70-Y72 WeakPolarHBondContact O-CE2 3.14Å
71	A	97.3	Very high	95.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	150.8	168.6	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 3.28Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 3.92Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CE-CB 4.49Å; M26-A71 HydrophobicContact CG-CB 3.67Å; W28-A71 HydrophobicContact CZ2-CB 4.15Å; I43-A71 HydrophobicContact CG2-CB 4.48Å; T63-A71 CarbonylContact O-C 3.57Å
72	Y	97.8	Very high	95.6	Very high	50 Å²	50	47 Å²	47	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.1	177.4	-53.5	-85.6	0	0	0	111	K11 I12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 VanDerWaalsContact O-CA 3.25Å; I12-Y72 WeakPolarHBondContact O-CA 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.49Å; T63-Y72 PolarHBondContact N-O 3.31Å; T63-Y72 PolarHBondContact O-N 3.04Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.5Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å; T70-Y72 WeakPolarHBondContact O-CE2 3.14Å
73	M	97.9	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.3	167.2	176.2	-179	69.2	0	0	108.5	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 PolarHBondContact N-O 3.17Å; I12-M73 PolarHBondContact O-N 3.2Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.46Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 4.06Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.48Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.29Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.39Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.04Å
74	Q	97.6	Very high	95.4	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.8	170.6	-175.4	174.1	-2.5	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 2.98Å
75	L	96.4	Very high	95.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.8	171.7	-64.8	168.2	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.3Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.33Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-L103 HydrophobicContact CD1-CD2 4.2Å
76	S	95.3	Very high	95.4	Very high	34 Å²	34	43 Å²	43	24%	0.238	25%	0.253	C	S	.	.			trans	-106.2	158.3	-178.7	58.4	0	0	0	0	112.6	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.25Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.4Å; K59-S76 PolarHBondContact NZ-O 3.14Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.9Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.82Å
77	S	94.6	Very high	95.5	Very high	77 Å²	77	40.1 Å²	40.1	54%	0.538	24%	0.239	S	C	.	.	S	Bend	trans	49	48.7	171.2	-56.3	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 2.02Å; K59-S77 VanDerWaalsContact NZ-C 3.33Å; K59-S77 PolarHBondContact NZ-O 2.77Å
78	L	94.8	Very high	95.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.206	C	C	.	.			trans	-58.5	142.2	-170.8	-70.6	172.4	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.36Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; L78-L103 HydrophobicContact CD1-CD2 4.11Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; L78-V105 HydrophobicContact CB-CG1 4.3Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.42Å
79	T	94.3	Very high	95.7	Very high	62 Å²	62	33.7 Å²	33.7	38%	0.38	19%	0.194	S	C	.	.			trans	-122.4	168.9	173.6	69.8	0	0	0	0	110.4	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.86Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-E81 PolarHBondContact OG1-N 2.94Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.47Å; T79-V105 WeakPolarHBondContact O-CB 3.34Å; T79-V105 VanDerWaalsContact O-CG2 3.29Å; T79-V105 WeakPolarHBondContact O-CG2 3.35Å
80	S	92.3	Very high	95.4	Very high	72 Å²	72	34.1 Å²	34.1	50%	0.503	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-53.9	-31	176.2	55.4	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.14Å; S80-S83 PolarHBondContact O-OG 2.83Å
81	E	90.9	Very high	94.6	Very high	132 Å²	132	38.3 Å²	38.3	62%	0.617	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-68.1	-14.3	176.2	-60.5	-169.8	179.7	0	0	114.5	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.86Å; R32-E81 PolarHBondContact NE-O 3.45Å; R32-E81 PolarHBondContact NH2-O 2.84Å; R32-E81 IonicContact NH2-OE2 3.89Å; T79-E81 PolarHBondContact O-N 2.86Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-E81 PolarHBondContact OG1-N 2.94Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	93.9	Very high	93.7	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-84	-5.8	174.4	-63.6	-46	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.28Å; K30-D82 PolarHBondContact NZ-OD1 2.71Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 3.2Å; L78-D82 WeakPolarHBondContact CA-OD2 3.36Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.47Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.83Å; D82-V105 HydrophobicContact CB-CG2 4.22Å
83	S	95.3	Very high	92	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	25%	0.249	C	C	.	.			trans	-64.3	114.4	171.8	-56.1	0	0	0	0	110.5	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.14Å; S80-S83 PolarHBondContact O-OG 2.83Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L103 CarbonylContact C-O 3.59Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.31Å; S83-V105 PolarHBondContact OG-N 2.79Å
84	A	96.3	Very high	90.7	Very high	6 Å²	6	56 Å²	56	5%	0.05	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	173.1	-172.2	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; R32-A84 HydrophobicContact CG-CB 4.14Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-L103 PolarHBondContact N-O 2.6Å; A84-L103 PolarHBondContact O-N 3.24Å
85	V	97.1	Very high	89.9	Confident	37 Å²	37	52.6 Å²	52.6	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.3	161.4	-169.4	0	0	0	0	108.5	Q31 F87 T101 T102	Q31-V85 PolarHBondContact N-O 2.76Å; Q31-V85 PolarHBondContact O-N 2.82Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.89Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; V85-T101 WeakPolarHBondContact CA-O 3.41Å; V85-T102 HydrophobicContact CG2-CG2 4.46Å
86	Y	97.3	Very high	89.5	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	179	-68.3	-87.8	0	0	0	109.8	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.23Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.04Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-G100 CarbonylContact O-C 3.59Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.45Å; Y86-T101 PolarHBondContact N-O 2.97Å; Y86-T101 PolarHBondContact O-N 3.43Å; Y86-L103 HydrophobicContact CD2-CB 3.96Å; Y86-L103 HydrophobicContact CD2-CD2 4.39Å; Y86-L103 HydrophobicContact CE2-CB 3.8Å; Y86-L103 HydrophobicContact CE2-CD2 3.72Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å
87	F	96.6	Very high	89.4	Confident	32 Å²	32	63 Å²	63	14%	0.14	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.3	-178.6	-59.7	-88.1	0	0	0	110.5	W28 V29 Q31 V85 W97	W28-F87 CarbonylContact C-O 3.35Å; W28-F87 WeakPolarHBondContact CA-O 3.47Å; V29-F87 PolarHBondContact N-O 2.91Å; V29-F87 PolarHBondContact O-N 2.88Å; Q31-F87 HydrophobicContact CB-CD2 4.32Å; Q31-F87 HydrophobicContact CB-CE2 3.77Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.89Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.89Å; F87-W97 HydrophobicContact CG-CE3 4.25Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å
88	C	95.8	Very high	89.3	Confident	13 Å²	13	60.7 Å²	60.7	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149.4	160.3	60.2	0	0	0	0	110.1	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.11Å; M26-C88 HydrophobicContact CG-CB 4.36Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 2.97Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.21Å; C88-G98 PolarHBondContact O-N 3.06Å
89	A	94.8	Very high	89.2	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139	177.3	0	0	0	0	0	112.4	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.33Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.38Å; N27-A89 PolarHBondContact N-O 3.26Å; N27-A89 PolarHBondContact ND2-O 3.16Å; N27-A89 PolarHBondContact O-N 3.1Å; A89-L92 HydrophobicContact CB-CD2 3.68Å; A89-L92 HydrophobicContact CB-CG 4.39Å; A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 WeakPolarHBondContact CA-O 3.37Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.79Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.46Å; A89-W97 HydrophobicContact CB-CZ2 4.46Å; A89-W97 HydrophobicContact CB-CZ3 4.14Å
90	R	89.6	Confident	89.2	Confident	50 Å²	50	68.6 Å²	68.6	19%	0.189	35%	0.346	C	S	.	.	S	Bend	trans	-75	-48.2	178.2	-168.5	-177.9	77.9	-167.9	6.2	112.1	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.26Å; W25-R90 WeakPolarHBondContact O-CA 3.3Å; W25-R90 VanDerWaalsContact O-O 3.06Å; N27-R90 PolarHBondContact ND2-O 3.06Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; R90-Y96 PolarHBondContact N-O 2.98Å
91	E	81.1	Confident	89.4	Confident	99 Å²	99	67.6 Å²	67.6	46%	0.463	34%	0.337	S	S	.	.	S	Bend	trans	-130.4	133.5	-177.6	-71.7	159.1	-133.4	0	0	108.8	G95	E91-G95 WeakPolarHBondContact O-CA 3.02Å; E91-G95 PolarHBondContact O-N 3.27Å
92	L	77.3	Confident	89.7	Confident	69 Å²	69	64.1 Å²	64.1	36%	0.361	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	145.4	177.2	-67.4	177.9	0	0	0	110	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.76Å; N27-L92 HydrophobicContact CB-CG 4.17Å; V29-L92 HydrophobicContact CG2-CD1 4.13Å; V29-L92 HydrophobicContact CG2-CD2 4.35Å; W39-L92 VanDerWaalsContact CD1-CD1 3.47Å; A89-L92 HydrophobicContact CB-CD2 3.68Å; A89-L92 HydrophobicContact CB-CG 4.39Å; L92-W97 HydrophobicContact CD2-CH2 3.29Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.16Å
93	P	63.3	Low	89.7	Confident	107 Å²	107	63.7 Å²	63.7	70%	0.695	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.6	-16.2	0.1	33.9	-32.5	0	0	0	114.8	W97	P93-W97 PolarHBondContact O-NE1 3.02Å
94	R	70.8	Confident	89.7	Confident	246 Å²	246	64.8 Å²	64.8	93%	0.928	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	13	-173	-70.4	-174	176.5	162.5	-0.6	114.8
95	G	80.2	Confident	89.5	Confident	18 Å²	18	64.9 Å²	64.9	19%	0.186	33%	0.328	C	S	.	.	S	Bend	trans	-82.5	-160.8	-177.9	0	0	0	0	0	114.2	E91	E91-G95 WeakPolarHBondContact O-CA 3.02Å; E91-G95 PolarHBondContact O-N 3.27Å
96	Y	88.8	Confident	89.1	Confident	163 Å²	163	65.3 Å²	65.3	64%	0.639	33%	0.333	S	S	*	.			trans	-80.8	126.7	-179.3	-60.9	-87.9	0	0	0	111.1	A89 R90	A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 WeakPolarHBondContact CA-O 3.37Å; R90-Y96 PolarHBondContact N-O 2.98Å
97	W	92.8	Very high	88	Confident	91 Å²	91	72.9 Å²	72.9	35%	0.345	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-112.3	143.5	179.6	-67.5	81.7	0	0	0	111.1	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.35Å; V29-W97 HydrophobicContact CB-CZ3 3.95Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.18Å; V29-W97 HydrophobicContact CG2-CH2 3.96Å; V29-W97 HydrophobicContact CG2-CZ3 3.86Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.3Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.89Å; F87-W97 HydrophobicContact CG-CE3 4.25Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.79Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.46Å; A89-W97 HydrophobicContact CB-CZ2 4.46Å; A89-W97 HydrophobicContact CB-CZ3 4.14Å; L92-W97 HydrophobicContact CD2-CH2 3.29Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.16Å; P93-W97 PolarHBondContact O-NE1 3.02Å
98	G	92.8	Very high	87.6	Confident	28 Å²	28	74.9 Å²	74.9	29%	0.289	40%	0.398	S	S	.	.			trans	-70.9	164.6	165.1	0	0	0	0	0	111.7	C88 G100	C88-G98 PolarHBondContact O-N 3.06Å; G98-G100 PolarHBondContact O-N 3.04Å; G98-G100 VanDerWaalsContact O-N 3.17Å
99	Q	92.9	Very high	87.2	Confident	199 Å²	199	78.2 Å²	78.2	93%	0.93	41%	0.414	S	S	*	.			trans	-63.8	-20.6	179.5	-65.8	-179.5	-5.9	0	0	113.5
100	G	94.3	Very high	86.8	Confident	30 Å²	30	82.4 Å²	82.4	31%	0.309	44%	0.437	S	S	.	.			trans	87.9	148.9	-178.3	0	0	0	0	0	113	Y86 G98	Y86-G100 CarbonylContact O-C 3.59Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.45Å; G98-G100 PolarHBondContact O-N 3.04Å; G98-G100 VanDerWaalsContact O-N 3.17Å
101	T	96	Very high	86.6	Confident	51 Å²	51	84.4 Å²	84.4	31%	0.313	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.3	178	-60	0	0	0	0	108.9	I12 V85 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.36Å; V85-T101 WeakPolarHBondContact CA-O 3.41Å; Y86-T101 PolarHBondContact N-O 2.97Å; Y86-T101 PolarHBondContact O-N 3.43Å; T101-L103 PolarHBondContact O-N 3.36Å
102	T	96.3	Very high	86.9	Confident	59 Å²	59	83.4 Å²	83.4	36%	0.362	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.1	173.4	-47.3	0	0	0	0	109.9	P1 E2 V85	P1-T102 CarbonylContact C-O 3.51Å; P1-T102 WeakPolarHBondContact CA-O 3.37Å; P1-T102 HydrophobicContact CB-CG2 4.39Å; E2-T102 PolarHBondContact N-O 3.47Å; V85-T102 HydrophobicContact CG2-CG2 4.46Å
103	L	94.9	Very high	87.6	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.8	172.2	-178.1	69.1	0	0	0	108.9	E2 V4 V10 L75 L78 S83 A84 Y86 T101	E2-L103 HydrophobicContact CB-CD1 4.05Å; E2-L103 HydrophobicContact CG-CD1 4.45Å; V4-L103 HydrophobicContact CG1-CD1 3.98Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.43Å; V10-L103 HydrophobicContact CB-CD1 4.43Å; V10-L103 HydrophobicContact CG1-CD1 4.12Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.25Å; L75-L103 HydrophobicContact CD1-CD2 4.2Å; L78-L103 HydrophobicContact CD1-CD2 4.11Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; S83-L103 CarbonylContact C-O 3.59Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.31Å; A84-L103 PolarHBondContact N-O 2.6Å; A84-L103 PolarHBondContact O-N 3.24Å; Y86-L103 HydrophobicContact CD2-CB 3.96Å; Y86-L103 HydrophobicContact CD2-CD2 4.39Å; Y86-L103 HydrophobicContact CE2-CB 3.8Å; Y86-L103 HydrophobicContact CE2-CD2 3.72Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å; T101-L103 PolarHBondContact O-N 3.36Å
104	T	94.9	Very high	89.3	Confident	59 Å²	59	82.8 Å²	82.8	36%	0.362	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.3	175.2	-57.2	0	0	0	0	108.7	E2 L3 V4	E2-T104 PolarHBondContact O-N 3.42Å; L3-T104 WeakPolarHBondContact CA-O 3.48Å; L3-T104 HydrophobicContact CD1-CG2 3.89Å; V4-T104 PolarHBondContact N-O 3.34Å
105	V	92.9	Very high	90.7	Very high	7 Å²	7	70.2 Å²	70.2	4%	0.042	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.5	175.4	-170.6	0	0	0	0	107.9	V4 P6 L78 T79 D82 S83	V4-V105 HydrophobicContact CG2-CB 4.22Å; V4-V105 HydrophobicContact CG2-CG1 4.3Å; V4-V105 HydrophobicContact CG2-CG2 3.73Å; V4-V105 CarbonylContact O-C 3.52Å; V4-V105 WeakPolarHBondContact O-CA 3.44Å; P6-V105 HydrophobicContact CG-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG1 4.3Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.42Å; T79-V105 WeakPolarHBondContact O-CB 3.34Å; T79-V105 VanDerWaalsContact O-CG2 3.29Å; T79-V105 WeakPolarHBondContact O-CG2 3.35Å; D82-V105 HydrophobicContact CB-CG2 4.22Å; S83-V105 PolarHBondContact OG-N 2.79Å
106	S	88.1	Confident	91.6	Very high	46 Å²	46	74.6 Å²	74.6	32%	0.322	42%	0.42	S	S	.	.			trans	-63.5	142	177.8	62.2	0	0	0	0	110.1	V4 P6	V4-S106 PolarHBondContact O-N 2.62Å; V4-S106 PolarHBondContact O-OG 3.02Å; P6-S106 WeakPolarHBondContact CD-O 3.4Å; P6-S106 WeakPolarHBondContact CG-O 3.33Å
107	S	74.8	Confident	91.9	Very high	161 Å²	161	66.5 Å²	66.5	100%	1.126	40%	0.4	S	S	*	.			trans	-72.2	0	171.2	53.4	0	0	0	0	112.3

Retrieved 107 of 107 residues in 21.6 ms (Link to these results)

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