X5J5P4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5P4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J5P4_MOUSE|X5J5P4
PELVKPGASVKISCKASSYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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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	65	Low	89.7	Confident	144 Å²	144	79.5 Å²	79.5	94%	0.935	46%	0.461	S	S	*	.				0	120.1	0	-15.4	31.4	0	0	0	109.5	T102	P1-T102 CarbonylContact C-O 3.59Å; P1-T102 VanDerWaalsContact CA-O 3.22Å; P1-T102 WeakPolarHBondContact CA-O 3.47Å; P1-T102 HydrophobicContact CB-CG2 4.3Å
2	E	79.7	Confident	90.2	Very high	82 Å²	82	73.3 Å²	73.3	38%	0.383	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.7	177.3	-164.2	174.8	170	0	0	109	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.98Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.49Å; E2-T102 PolarHBondContact N-O 2.63Å; E2-L103 HydrophobicContact CB-CD1 4.03Å; E2-L103 HydrophobicContact CG-CD1 4.42Å; E2-T104 PolarHBondContact O-N 3.49Å
3	L	88.4	Confident	90.6	Very high	121 Å²	121	73.2 Å²	73.2	63%	0.634	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.2	179.1	-171	69.6	0	0	0	108.9	T104 S106	L3-T104 WeakPolarHBondContact CA-O 3.37Å; L3-T104 HydrophobicContact CD1-CG2 3.77Å; L3-S106 VanDerWaalsContact CD1-OG 3.25Å; L3-S106 WeakPolarHBondContact CD1-OG 3.4Å
4	V	92.2	Very high	90.9	Very high	19 Å²	19	69 Å²	69	12%	0.115	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.7	-175	-60.1	0	0	0	0	111.5	E2 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.98Å; V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; V4-L103 HydrophobicContact CG1-CD1 4.15Å; V4-L103 HydrophobicContact CG2-CD1 3.81Å; V4-L103 HydrophobicContact CG2-CG 4.47Å; V4-T104 PolarHBondContact N-O 2.65Å; V4-V105 HydrophobicContact CG2-CB 4.29Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.77Å; V4-V105 WeakPolarHBondContact O-CA 3.49Å; V4-S106 PolarHBondContact O-N 3.22Å
5	K	92.1	Very high	91	Very high	157 Å²	157	75.3 Å²	75.3	68%	0.683	43%	0.428	S	S	*	.			trans	-80.8	150.8	176.3	-64.6	-176	179.5	-176.6	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.2Å; K5-A8 PolarHBondContact O-N 3.21Å
6	P	94.3	Very high	90.9	Very high	72 Å²	72	71.9 Å²	71.9	47%	0.468	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	144.2	169.2	-25.4	33.7	0	0	0	112	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; P6-V105 HydrophobicContact CB-CG1 4.49Å; P6-V105 HydrophobicContact CG-CG1 4.16Å; P6-S106 WeakPolarHBondContact CD-O 3.46Å
7	G	93.2	Very high	90.3	Very high	53 Å²	53	75.5 Å²	75.5	55%	0.546	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-14.8	-177.4	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 3.1Å
8	A	94.3	Very high	89.3	Confident	36 Å²	36	73.5 Å²	73.5	30%	0.298	43%	0.433	S	S	.	.			trans	-65.9	164.7	175.4	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.2Å; K5-A8 PolarHBondContact O-N 3.21Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.04Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	95.4	Very high	88	Confident	68 Å²	68	81.9 Å²	81.9	48%	0.476	46%	0.458	S	S	.	.			trans	-116	142.7	169.1	-58.3	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-S76 WeakPolarHBondContact OG-CA 2.97Å
10	V	95.4	Very high	87.6	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.03	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.1	178.6	67.1	0	0	0	0	110.4	E2 I12 Q74 L75 L78 L103	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 4.39Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.78Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.4Å; V10-L103 HydrophobicContact CB-CD1 4.44Å; V10-L103 HydrophobicContact CG1-CD1 4.14Å; V10-L103 HydrophobicContact CG1-CD2 3.85Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å
11	K	96.5	Very high	87.6	Confident	117 Å²	117	75.6 Å²	75.6	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	110.4	174.5	-173.1	176.4	-180	179.6	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12	I	96.2	Very high	88.8	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.8	177.6	-54.2	-177.9	0	0	0	108.3	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 HydrophobicContact CG2-CG1 4.39Å; I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; I12-W28 WeakPolarHBondContact O-CH2 3.37Å; I12-Y72 CarbonylContact O-C 3.51Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.4Å; I12-M73 HydrophobicContact CB-CE 4.44Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.43Å; I12-M73 PolarHBondContact N-O 3.28Å; I12-M73 PolarHBondContact O-N 2.93Å; I12-L75 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD2 3.85Å; I12-Y86 HydrophobicContact CD1-CG 3.79Å; I12-T101 HydrophobicContact CG2-CG2 4.3Å
13	S	95.8	Very high	89.2	Confident	72 Å²	72	70.5 Å²	70.5	50%	0.503	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	150.2	178.2	63.7	0	0	0	0	111.7	A71 Y72	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å
14	C	94.2	Very high	89.3	Confident	14 Å²	14	65.7 Å²	65.7	10%	0.095	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	106.2	172.8	176.2	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 3Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15	K	93.1	Very high	89.3	Confident	163 Å²	163	68 Å²	68	71%	0.709	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.3	178.3	-173.1	172.6	-175.8	177.6	0	109.8
16	A	88.3	Confident	89.4	Confident	21 Å²	21	61.2 Å²	61.2	17%	0.174	36%	0.357	C	S	.	.			trans	-85.5	144.2	174.6	0	0	0	0	0	110.7	F21 M26 S69	A16-F21 HydrophobicContact CB-CB 4.14Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.34Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-M26 HydrophobicContact CB-CE 4.44Å; A16-S69 PolarHBondContact N-O 2.79Å
17	S	80.7	Confident	89.4	Confident	134 Å²	134	58.3 Å²	58.3	94%	0.937	34%	0.337	S	S	*	.			trans	-88.4	-13.8	176.8	54.2	0	0	0	0	113.7
18	S	71.9	Confident	89.6	Confident	39 Å²	39	55.9 Å²	55.9	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-103.3	148	-168.5	72.3	0	0	0	0	113.7	A20 F21	S18-A20 PolarHBondContact O-N 2.93Å; S18-A20 VanDerWaalsContact O-N 3.1Å; S18-F21 PolarHBondContact O-N 2.98Å
19	Y	66.3	Low	89.7	Confident	233 Å²	233	54.3 Å²	54.3	91%	0.914	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-54.7	-25.6	171.4	-173	-100.1	0	0	0	114.2	F21	Y19-F21 PolarHBondContact O-N 2.94Å
20	A	80	Confident	89.7	Confident	26 Å²	26	51.1 Å²	51.1	22%	0.215	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-81.3	13.6	-177.7	0	0	0	0	0	115	S18 S22 S23 S24	S18-A20 PolarHBondContact O-N 2.93Å; S18-A20 VanDerWaalsContact O-N 3.1Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 2.86Å; A20-S23 WeakPolarHBondContact CA-OG 3.3Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 2.77Å; A20-S24 WeakPolarHBondContact O-CB 3.41Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 2.92Å
21	F	87.3	Confident	89.7	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-58.5	-43.3	-179	175.3	-104.2	0	0	0	112.4	A16 S18 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.14Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.34Å; A16-F21 HydrophobicContact CB-CG 4.17Å; S18-F21 PolarHBondContact O-N 2.98Å; Y19-F21 PolarHBondContact O-N 2.94Å; F21-S23 PolarHBondContact O-N 3.26Å; F21-M26 HydrophobicContact CD2-CE 4.23Å; F21-M26 HydrophobicContact CE2-CE 4.12Å; F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.27Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.83Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.61Å; F21-P45 WeakPolarHBondContact O-CD 3.25Å; F21-P45 VanDerWaalsContact O-CG 3.28Å; F21-P45 WeakPolarHBondContact O-CG 3.19Å; F21-A64 HydrophobicContact CE1-CB 4.27Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 3.98Å; F21-A71 HydrophobicContact CZ-CB 4.05Å
22	S	89.4	Confident	89.6	Confident	54 Å²	54	51.2 Å²	51.2	38%	0.378	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-73.6	-13.3	179.3	54.6	0	0	0	0	114.1	A20 G46	A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 2.86Å; S22-G46 WeakPolarHBondContact O-CA 3.45Å; S22-G46 PolarHBondContact O-N 3.13Å
23	S	89.3	Confident	89.1	Confident	65 Å²	65	56.6 Å²	56.6	46%	0.455	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-114.6	12.4	-176.3	59.4	0	0	0	0	114	A20 F21 Y44	A20-S23 WeakPolarHBondContact CA-OG 3.3Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 2.77Å; F21-S23 PolarHBondContact O-N 3.26Å; S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.3Å; S23-Y44 WeakPolarHBondContact O-CE2 3.13Å; S23-Y44 PolarHBondContact O-OH 2.9Å
24	S	88.8	Confident	88.8	Confident	20 Å²	20	57.5 Å²	57.5	14%	0.14	33%	0.332	C	S	.	.	S	Bend	trans	-133.6	144	-177.9	-54.9	0	0	0	0	111.5	A20 P45	A20-S24 WeakPolarHBondContact O-CB 3.41Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 2.92Å; S24-P45 WeakPolarHBondContact O-CD 3.49Å
25	W	92.5	Very high	88.6	Confident	68 Å²	68	63.2 Å²	63.2	26%	0.258	36%	0.356	S	S	.	.			trans	-64.4	138.9	170.3	-71.9	97.5	0	0	0	110.8	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.15Å; W25-R42 HydrophobicContact CE3-CB 3.96Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.79Å; W25-Y44 AromaticContact CD1-CD2 3.97Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.37Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 HydrophobicContact CG-CD2 4.04Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.34Å; W25-Y44 AromaticContact NE1-CD2 3.84Å; W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3Å; W25-D49 WeakPolarHBondContact CZ3-O 3.35Å; W25-R90 CarbonylContact O-C 3.55Å; W25-R90 WeakPolarHBondContact O-CA 3.28Å
26	M	94	Very high	88.4	Confident	13 Å²	13	58.1 Å²	58.1	6%	0.064	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113	168.7	-173.1	62.4	69.1	0	0	108.9	A16 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.44Å; F21-M26 HydrophobicContact CD2-CE 4.23Å; F21-M26 HydrophobicContact CE2-CE 4.12Å; M26-R42 CarbonylContact O-C 3.37Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 3.47Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 3.71Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.84Å
27	N	95.6	Very high	88.6	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.059	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.7	178.7	-58.4	-91.1	0	0	0	110.3	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.37Å; N27-W39 VanDerWaalsContact OD1-NE1 3.14Å; N27-G41 CarbonylContact C-O 3.52Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.25Å; N27-C88 CarbonylContact O-C 3.57Å; N27-C88 WeakPolarHBondContact O-CA 3.3Å; N27-A89 WeakPolarHBondContact CA-O 3.34Å; N27-A89 HydrophobicContact CB-CB 4.5Å; N27-A89 VanDerWaalsContact CB-O 3.26Å; N27-A89 WeakPolarHBondContact CB-O 3Å; N27-A89 PolarHBondContact N-O 3.25Å; N27-A89 PolarHBondContact ND2-O 3.02Å; N27-A89 PolarHBondContact O-N 2.81Å; N27-R90 PolarHBondContact ND2-O 2.84Å; N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.17Å
28	W	96.9	Very high	89.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	172.2	-70.5	91.4	0	0	0	109.9	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; I12-W28 WeakPolarHBondContact O-CH2 3.37Å; C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.35Å; W28-I40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å; W28-M73 HydrophobicContact CB-SD 3.96Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.11Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; W28-F87 CarbonylContact C-O 3.58Å; W28-F87 WeakPolarHBondContact CA-O 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	96.3	Very high	90.4	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.4	-172.3	-175.5	0	0	0	0	109.3	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.12Å; V29-F87 PolarHBondContact O-N 3.15Å; V29-L92 HydrophobicContact CG2-CD1 4.17Å; V29-L92 HydrophobicContact CG2-CD2 4.43Å; V29-W97 HydrophobicContact CB-CH2 4.34Å; V29-W97 HydrophobicContact CB-CZ3 3.98Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.2Å; V29-W97 HydrophobicContact CG2-CH2 3.96Å; V29-W97 HydrophobicContact CG2-CZ3 3.91Å
30	K	96	Very high	91.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.6	173.5	-177.9	179.5	-177.1	174.8	0	109.4	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.07Å; K30-E38 PolarHBondContact O-N 2.8Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; K30-E81 WeakPolarHBondContact CE-O 3.48Å; K30-E81 PolarHBondContact NZ-O 2.92Å; K30-D82 IonicContact NZ-OD1 2.88Å; K30-D82 PolarHBondContact NZ-OD1 3.24Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.5Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å
31	Q	95.6	Very high	92.7	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.4	170.3	-168.6	-179.4	36.7	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-F87 HydrophobicContact CB-CD2 4.28Å; Q31-F87 HydrophobicContact CB-CE2 3.73Å
32	R	92.6	Very high	93.1	Very high	50 Å²	50	50.2 Å²	50.2	19%	0.189	29%	0.289	C	S	.	.			trans	-92	146.2	172.4	-59.2	-174	-142.6	-157.4	-2.7	109.9	G34 K35 E38 A84	R32-G34 PolarHBondContact O-N 2.73Å; R32-K35 HydrophobicContact CB-CB 4.1Å; R32-K35 HydrophobicContact CB-CD 4.38Å; R32-K35 HydrophobicContact CB-CG 4.24Å; R32-K35 PolarHBondContact O-N 2.69Å; R32-E38 IonicContact CZ-OE2 3.77Å; R32-E38 IonicContact NE-OE2 2.93Å; R32-E38 PolarHBondContact NE-OE2 3.26Å; R32-E38 IonicContact NH2-OE1 2.69Å; R32-E38 IonicContact NH2-OE2 3.33Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; R32-A84 HydrophobicContact CG-CB 4.26Å
33	P	87.6	Confident	93.5	Very high	118 Å²	118	47.9 Å²	47.9	77%	0.766	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.4	173	-25.8	34.3	0	0	0	111.3	K35	P33-K35 PolarHBondContact O-N 2.89Å
34	G	88.6	Confident	93.8	Very high	92 Å²	92	47.8 Å²	47.8	95%	0.948	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	6.2	-179.6	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.73Å
35	K	89.7	Confident	94	Very high	134 Å²	134	47 Å²	47	58%	0.583	26%	0.257	S	S	*	.	S	Bend	trans	-119.8	162	174.6	-56.3	-161	179.7	-172.4	0	111.7	R32 P33	R32-K35 HydrophobicContact CB-CB 4.1Å; R32-K35 HydrophobicContact CB-CD 4.38Å; R32-K35 HydrophobicContact CB-CG 4.24Å; R32-K35 PolarHBondContact O-N 2.69Å; P33-K35 PolarHBondContact O-N 2.89Å
36	G	89.3	Confident	94	Very high	56 Å²	56	44.9 Å²	44.9	58%	0.577	26%	0.256	S	S	*	.			trans	-67.5	175	173.8	0	0	0	0	0	113.4
37	L	92.9	Very high	94	Very high	94 Å²	94	49.8 Å²	49.8	49%	0.492	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.8	174.9	-63.5	174.6	0	0	0	110.6	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; L37-W97 HydrophobicContact CD1-CH2 3.81Å; L37-W97 HydrophobicContact CD1-CZ2 4.34Å; L37-W97 HydrophobicContact CD1-CZ3 4.49Å
38	E	95.2	Very high	94	Very high	40 Å²	40	51.1 Å²	51.1	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.8	174.1	-58.2	-171.9	98.2	0	0	109.2	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.07Å; K30-E38 PolarHBondContact O-N 2.8Å; R32-E38 IonicContact CZ-OE2 3.77Å; R32-E38 IonicContact NE-OE2 2.93Å; R32-E38 PolarHBondContact NE-OE2 3.26Å; R32-E38 IonicContact NH2-OE1 2.69Å; R32-E38 IonicContact NH2-OE2 3.33Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; E38-I40 PolarHBondContact O-N 3.4Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.31Å
39	W	95.6	Very high	94	Very high	68 Å²	68	55.3 Å²	55.3	26%	0.258	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.7	175.2	-177.3	79.1	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.37Å; N27-W39 VanDerWaalsContact OD1-NE1 3.14Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.36Å; W39-R42 HydrophobicContact CZ2-CB 3.99Å; W39-R42 HydrophobicContact CZ2-CG 3.8Å; W39-N51 HydrophobicContact CH2-CB 4.4Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.31Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 2.96Å; W39-L92 VanDerWaalsContact CD1-CD1 3.49Å
40	I	97.1	Very high	94	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-48.1	-176.5	-59.6	175.5	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.35Å; W28-I40 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 3.4Å; I40-N53 WeakPolarHBondContact O-CB 3.39Å; I40-N53 PolarHBondContact O-N 2.66Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.03Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.74Å; I40-M73 HydrophobicContact CD1-CE 4.16Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	96.9	Very high	94	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-179	-172.9	0	0	0	0	0	111.6	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.52Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.36Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å
42	R	96.3	Very high	94.1	Very high	91 Å²	91	60.4 Å²	60.4	34%	0.343	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.5	174	66.6	-176.5	-173.6	-169.2	-0.3	111.5	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.15Å; W25-R42 HydrophobicContact CE3-CB 3.96Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.79Å; M26-R42 CarbonylContact O-C 3.37Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.43Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.25Å; W39-R42 HydrophobicContact CZ2-CB 3.99Å; W39-R42 HydrophobicContact CZ2-CG 3.8Å; R42-T50 WeakPolarHBondContact O-CA 3Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 2.87Å; R42-N51 PolarHBondContact O-N 3.4Å
43	I	96.5	Very high	94.2	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.4	173.3	-176.9	166.8	0	0	0	109.7	M26 P45 D49 T50 L62 T63 A64	M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 3.47Å; I43-P45 WeakPolarHBondContact O-CD 3.27Å; I43-D49 CarbonylContact C-O 3.58Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.26Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.46Å; I43-L62 HydrophobicContact CD1-CB 4.42Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; I43-T63 VanDerWaalsContact CD1-C 3.49Å; I43-A64 HydrophobicContact CD1-CB 3.98Å
44	Y	95	Very high	94.5	Very high	62 Å²	62	57.7 Å²	57.7	24%	0.243	35%	0.346	C	S	.	.			trans	-97.6	106.6	168.4	-168.4	-102.8	0	0	0	108.3	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.3Å; S23-Y44 WeakPolarHBondContact O-CE2 3.13Å; S23-Y44 PolarHBondContact O-OH 2.9Å; W25-Y44 AromaticContact CD1-CD2 3.97Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.37Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 HydrophobicContact CG-CD2 4.04Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.34Å; W25-Y44 AromaticContact NE1-CD2 3.84Å; Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.47Å; Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.33Å; Y44-G48 PolarHBondContact O-N 2.88Å; Y44-D49 PolarHBondContact N-O 3.14Å
45	P	94.3	Very high	94.7	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18	-172	-25.2	37.8	0	0	0	114.6	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.27Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.83Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.61Å; F21-P45 WeakPolarHBondContact O-CD 3.25Å; F21-P45 VanDerWaalsContact O-CG 3.28Å; F21-P45 WeakPolarHBondContact O-CG 3.19Å; S24-P45 WeakPolarHBondContact O-CD 3.49Å; I43-P45 WeakPolarHBondContact O-CD 3.27Å; P45-A64 HydrophobicContact CB-CB 3.69Å; P45-A64 HydrophobicContact CG-CB 4.01Å; P45-K66 VanDerWaalsContact O-CD 3.24Å; P45-K66 WeakPolarHBondContact O-CD 3.36Å; P45-K66 WeakPolarHBondContact O-CG 3.46Å
46	G	92.6	Very high	94.9	Very high	23 Å²	23	54.9 Å²	54.9	24%	0.237	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-52.7	-179.2	0	0	0	0	0	113.1	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.45Å; S22-G46 PolarHBondContact O-N 3.13Å; Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; G46-K66 PolarHBondContact O-NZ 3.02Å
47	D	94.3	Very high	95.1	Very high	117 Å²	117	60 Å²	60	63%	0.626	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-10.8	-177.8	57.1	19.3	0	0	0	113.5	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.47Å; D47-D49 WeakPolarHBondContact OD1-CB 3.03Å; D47-D49 PolarHBondContact OD1-N 3.17Å
48	G	94.3	Very high	95	Very high	39 Å²	39	58.9 Å²	58.9	40%	0.402	33%	0.325	S	S	.	.			trans	84.3	11.2	-179	0	0	0	0	0	114.1	Y44	Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.33Å; Y44-G48 PolarHBondContact O-N 2.88Å
49	D	96.4	Very high	95	Very high	90 Å²	90	58.9 Å²	58.9	48%	0.481	33%	0.325	S	S	.	.			trans	-60.7	141.7	176.7	-172	23.9	0	0	0	110.9	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3Å; W25-D49 WeakPolarHBondContact CZ3-O 3.35Å; I43-D49 CarbonylContact C-O 3.58Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.26Å; Y44-D49 PolarHBondContact N-O 3.14Å; D47-D49 WeakPolarHBondContact OD1-CB 3.03Å; D47-D49 PolarHBondContact OD1-N 3.17Å
50	T	97.3	Very high	95.1	Very high	49 Å²	49	55.8 Å²	55.8	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.2	-175.9	55	0	0	0	0	112	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51	N	96.3	Very high	95.1	Very high	79 Å²	79	59.1 Å²	59.1	42%	0.422	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.7	171.1	-172.2	-121.9	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.4Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.31Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 2.87Å; R42-N51 PolarHBondContact O-N 3.4Å
52	Y	97.1	Very high	95.2	Very high	58 Å²	58	59.5 Å²	59.5	23%	0.227	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.4	-174.1	-66.7	-91.3	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; Y52-A60 HydrophobicContact CE1-CB 4.45Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.19Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å
53	N	95.8	Very high	95.2	Very high	50 Å²	50	58 Å²	58	27%	0.267	34%	0.337	S	S	.	.			trans	-69.8	134.4	157.9	-177.4	-23.8	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 2.96Å; I40-N53 WeakPolarHBondContact O-CB 3.39Å; I40-N53 PolarHBondContact O-N 2.66Å; N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; N53-K57 PolarHBondContact O-N 3.05Å
54	G	94	Very high	95.2	Very high	61 Å²	61	59.5 Å²	59.5	63%	0.629	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-51.6	-33.9	-179.3	0	0	0	0	0	113.8	F56 K57	G54-F56 PolarHBondContact O-N 3Å; G54-K57 PolarHBondContact O-N 3.02Å
55	K	92	Very high	95.2	Very high	156 Å²	156	59.2 Å²	59.2	68%	0.678	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.8	177.3	-69	-177.3	177.2	-179.8	0	114.4	N53	N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	94.2	Very high	95	Very high	10 Å²	10	64.8 Å²	64.8	4%	0.044	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-110.5	-1.5	-174.7	-63.2	-86.1	0	0	0	112.8	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.31Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.03Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; G54-F56 PolarHBondContact O-N 3Å; F56-G58 PolarHBondContact O-N 3.3Å; F56-K59 WeakPolarHBondContact O-CB 3.22Å; F56-K59 PolarHBondContact O-N 3.2Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 3.3Å
57	K	92.4	Very high	94.9	Very high	165 Å²	165	68.9 Å²	68.9	72%	0.717	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-62.7	123.9	175.7	-166.1	174.4	-176.4	179.3	0	109.2	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.05Å; G54-K57 PolarHBondContact O-N 3.02Å; K57-K59 PolarHBondContact O-N 3.27Å
58	G	92	Very high	94.8	Very high	69 Å²	69	65 Å²	65	71%	0.711	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-17.8	-175	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.3Å
59	K	95	Very high	94.8	Very high	41 Å²	41	64.9 Å²	64.9	18%	0.178	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-39.9	173.6	-177	65.8	174.8	-170.7	0	112.3	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.22Å; F56-K59 PolarHBondContact O-N 3.2Å; K57-K59 PolarHBondContact O-N 3.27Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.22Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 2.99Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 PolarHBondContact NZ-O 3.07Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 PolarHBondContact O-OG 2.89Å; K59-S77 VanDerWaalsContact NZ-C 3.33Å; K59-S77 PolarHBondContact NZ-O 2.95Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD2 3.41Å; K59-D82 PolarHBondContact NZ-OD2 3.3Å
60	A	97.1	Very high	94.7	Very high	3 Å²	3	61 Å²	61	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.7	-179.6	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.74Å; Y52-A60 HydrophobicContact CE1-CB 4.45Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.19Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 3.3Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.48Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61	T	97.9	Very high	94.6	Very high	70 Å²	70	58.7 Å²	58.7	43%	0.429	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.9	169.3	-59.1	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.99Å
62	L	97.9	Very high	94.7	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.3	179	-53.4	-175.4	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.46Å; I43-L62 HydrophobicContact CD1-CB 4.42Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 3.11Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.4Å
63	T	97.3	Very high	94.7	Very high	60 Å²	60	54.6 Å²	54.6	37%	0.368	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163.3	175.4	55.2	0	0	0	0	110	I43 T61 Y72	I43-T63 VanDerWaalsContact CD1-C 3.49Å; T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 3.22Å
64	A	95.9	Very high	94.8	Very high	36 Å²	36	56.3 Å²	56.3	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.2	176	0	0	0	0	0	111	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.27Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; I43-A64 HydrophobicContact CD1-CB 3.98Å; P45-A64 HydrophobicContact CB-CB 3.69Å; P45-A64 HydrophobicContact CG-CB 4.01Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å
65	D	94.3	Very high	94.9	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110	169.8	174.5	10.6	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.03Å; D65-S67 PolarHBondContact OD2-OG 2.76Å; D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.34Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66	K	91.2	Very high	95.1	Very high	121 Å²	121	47.6 Å²	47.6	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.5	179.4	-73.3	-178.9	-89.8	-166.6	0	112.1	P45 G46 S68 S69	P45-K66 VanDerWaalsContact O-CD 3.24Å; P45-K66 WeakPolarHBondContact O-CD 3.36Å; P45-K66 WeakPolarHBondContact O-CG 3.46Å; G46-K66 PolarHBondContact O-NZ 3.02Å; K66-S68 PolarHBondContact O-N 3.45Å; K66-S69 PolarHBondContact O-N 2.94Å
67	S	90.4	Very high	95.1	Very high	108 Å²	108	50.9 Å²	50.9	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-38.7	-175.6	71.9	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.03Å; D65-S67 PolarHBondContact OD2-OG 2.76Å
68	S	92.7	Very high	95.2	Very high	35 Å²	35	43 Å²	43	25%	0.245	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	1.8	178	65.3	0	0	0	0	113.8	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.34Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; K66-S68 PolarHBondContact O-N 3.45Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.86Å
69	S	92.8	Very high	95.3	Very high	37 Å²	37	42.7 Å²	42.7	26%	0.259	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.9	-173.2	-62.5	0	0	0	0	113	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.79Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.94Å
70	T	95.1	Very high	95.2	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.1	-173.7	-56.4	0	0	0	0	110.9	C14 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.44Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.15Å
71	A	95.8	Very high	94.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	150.9	168.5	0	0	0	0	0	109.7	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 3Å; F21-A71 HydrophobicContact CE2-CB 3.98Å; F21-A71 HydrophobicContact CZ-CB 4.05Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 3.71Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å
72	Y	97.3	Very high	94.7	Very high	50 Å²	50	48 Å²	48	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.3	177.8	-52.8	-87.9	0	0	0	111.1	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; I12-Y72 CarbonylContact O-C 3.51Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.4Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.11Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 3.22Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.15Å
73	M	97.8	Very high	94.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.2	166.3	176	-175.9	68.4	0	0	108.3	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CB-CE 4.44Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.43Å; I12-M73 PolarHBondContact N-O 3.28Å; I12-M73 PolarHBondContact O-N 2.93Å; W28-M73 HydrophobicContact CB-SD 3.96Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.11Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; I40-M73 HydrophobicContact CD1-CE 4.16Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.48Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.4Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.26Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.04Å
74	Q	97.6	Very high	94.5	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.2	170.1	-174.9	173.3	-2.4	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.99Å
75	L	96.6	Very high	94.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	171.8	-64.8	168.5	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.78Å; V10-L75 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.42Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.22Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.26Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-L103 HydrophobicContact CD1-CD2 4.18Å
76	S	95.5	Very high	94.7	Very high	34 Å²	34	44.1 Å²	44.1	24%	0.238	26%	0.257	C	S	.	.			trans	-104.5	158.3	-179.3	56.3	0	0	0	0	112.4	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 2.97Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 2.99Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 PolarHBondContact NZ-O 3.07Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 PolarHBondContact O-OG 2.89Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	95	Very high	94.9	Very high	78 Å²	78	39.9 Å²	39.9	55%	0.545	24%	0.239	S	C	.	.	S	Bend	trans	49.1	50.1	170.7	-55.8	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 VanDerWaalsContact NZ-C 3.33Å; K59-S77 PolarHBondContact NZ-O 2.95Å
78	L	94.9	Very high	95.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.207	C	C	.	.			trans	-58.5	141.6	-170.8	-70.6	173.1	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; G7-L78 PolarHBondContact N-O 3.1Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.04Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 WeakPolarHBondContact CA-OD2 3.24Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; L78-V105 HydrophobicContact CB-CG1 4.25Å; L78-V105 HydrophobicContact CB-CG2 4.08Å; L78-V105 HydrophobicContact CD1-CG2 4.37Å
79	T	94.3	Very high	95.1	Very high	61 Å²	61	33.7 Å²	33.7	37%	0.374	20%	0.196	S	C	.	.			trans	-121.1	169.4	173.2	69.8	0	0	0	0	110.2	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.77Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 2.92Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 3.23Å; T79-V105 WeakPolarHBondContact O-CB 3.46Å; T79-V105 WeakPolarHBondContact O-CG2 3.34Å
80	S	92.2	Very high	94.8	Very high	87 Å²	87	34.9 Å²	34.9	61%	0.608	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-54.3	-31.2	175.5	53	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.25Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.13Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 3.3Å
81	E	91.1	Very high	94	Very high	127 Å²	127	39 Å²	39	59%	0.593	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-67.4	-16.7	176.8	-59.9	-169.1	-175.4	0	0	114.2	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.48Å; K30-E81 PolarHBondContact NZ-O 2.92Å; T79-E81 PolarHBondContact O-N 2.77Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 2.92Å; E81-S83 VanDerWaalsContact C-N 3.25Å
82	D	93.9	Very high	92.8	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-81.1	-5.7	175	-63	-46.7	0	0	0	113.1	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 2.88Å; K30-D82 PolarHBondContact NZ-OD1 3.24Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD2 3.41Å; K59-D82 PolarHBondContact NZ-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.24Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 3.23Å; S80-D82 PolarHBondContact O-N 3.25Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V105 HydrophobicContact CB-CG2 4.22Å
83	S	95.3	Very high	91	Very high	36 Å²	36	44.9 Å²	44.9	25%	0.252	25%	0.253	S	S	.	.			trans	-65.4	113.8	172.5	-55.7	0	0	0	0	110.6	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.13Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 3.3Å; E81-S83 VanDerWaalsContact C-N 3.25Å; S83-L103 CarbonylContact C-O 3.55Å; S83-L103 VanDerWaalsContact CA-O 3.27Å; S83-L103 WeakPolarHBondContact CA-O 3.24Å; S83-V105 PolarHBondContact OG-N 3.22Å
84	A	96.2	Very high	89.4	Confident	6 Å²	6	56.5 Å²	56.5	5%	0.05	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	173.1	-171.6	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; R32-A84 HydrophobicContact CG-CB 4.26Å; D82-A84 PolarHBondContact O-N 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-L103 PolarHBondContact N-O 2.9Å; A84-L103 PolarHBondContact O-N 3.42Å
85	V	96.9	Very high	88.4	Confident	37 Å²	37	53.2 Å²	53.2	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.2	161.7	-170.1	0	0	0	0	108.4	Q31 F87 T101	Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.89Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.91Å; V85-F87 HydrophobicContact CG1-CE2 3.5Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; V85-T101 WeakPolarHBondContact CA-O 3.18Å
86	Y	97.1	Very high	87.9	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127	179.1	-68.4	-88.4	0	0	0	110	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.85Å; I12-Y86 HydrophobicContact CD1-CG 3.79Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.5Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.04Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G100 CarbonylContact O-C 3.57Å; Y86-G100 VanDerWaalsContact O-CA 3.26Å; Y86-G100 WeakPolarHBondContact O-CA 3.5Å; Y86-T101 PolarHBondContact N-O 3.37Å; Y86-T101 PolarHBondContact O-N 3.05Å; Y86-L103 HydrophobicContact CD2-CB 3.93Å; Y86-L103 HydrophobicContact CD2-CD2 4.36Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.68Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å
87	F	95.8	Very high	87.6	Confident	32 Å²	32	64 Å²	64	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	-178.9	-59.9	-88.2	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 CarbonylContact C-O 3.58Å; W28-F87 WeakPolarHBondContact CA-O 3.35Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.12Å; V29-F87 PolarHBondContact O-N 3.15Å; Q31-F87 HydrophobicContact CB-CD2 4.28Å; Q31-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.91Å; V85-F87 HydrophobicContact CG1-CE2 3.5Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.86Å; F87-W97 HydrophobicContact CG-CE3 4.2Å; F87-W97 HydrophobicContact CG-CZ3 4.36Å
88	C	94.5	Very high	87.5	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.8	159.8	60.1	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.84Å; N27-C88 CarbonylContact O-C 3.57Å; N27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G98 PolarHBondContact O-N 3Å
89	A	92.6	Very high	87.3	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	137.9	177.2	0	0	0	0	0	112.1	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.34Å; N27-A89 HydrophobicContact CB-CB 4.5Å; N27-A89 VanDerWaalsContact CB-O 3.26Å; N27-A89 WeakPolarHBondContact CB-O 3Å; N27-A89 PolarHBondContact N-O 3.25Å; N27-A89 PolarHBondContact ND2-O 3.02Å; N27-A89 PolarHBondContact O-N 2.81Å; A89-L92 HydrophobicContact CB-CD2 3.71Å; A89-L92 HydrophobicContact CB-CG 4.38Å; A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 VanDerWaalsContact CA-O 3.22Å; A89-Y96 WeakPolarHBondContact CA-O 3.4Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.87Å; A89-W97 HydrophobicContact CB-CG 4.25Å; A89-W97 HydrophobicContact CB-CH2 4.45Å; A89-W97 HydrophobicContact CB-CZ2 4.41Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å
90	R	86.7	Confident	87.3	Confident	61 Å²	61	69.4 Å²	69.4	23%	0.23	35%	0.349	C	S	.	.	S	Bend	trans	-77.1	-46.1	-179.9	-161.9	179.8	88	178.3	7.3	112.6	W25 N27 Y96	W25-R90 CarbonylContact O-C 3.55Å; W25-R90 WeakPolarHBondContact O-CA 3.28Å; N27-R90 PolarHBondContact ND2-O 2.84Å; R90-Y96 PolarHBondContact N-O 3.1Å
91	E	76.9	Confident	87.5	Confident	96 Å²	96	67.6 Å²	67.6	45%	0.449	34%	0.335	S	S	.	.	S	Bend	trans	-131.5	129.4	-178.5	-69.1	158.9	-140.6	0	0	108.2	G95	E91-G95 WeakPolarHBondContact O-CA 3.49Å; E91-G95 PolarHBondContact O-N 3.32Å
92	L	71.3	Confident	87.7	Confident	68 Å²	68	64.3 Å²	64.3	36%	0.356	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	142.3	176.5	-68.4	177.1	0	0	0	109.5	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.17Å; V29-L92 HydrophobicContact CG2-CD1 4.17Å; V29-L92 HydrophobicContact CG2-CD2 4.43Å; W39-L92 VanDerWaalsContact CD1-CD1 3.49Å; A89-L92 HydrophobicContact CB-CD2 3.71Å; A89-L92 HydrophobicContact CB-CG 4.38Å; L92-W97 HydrophobicContact CD2-CH2 3.38Å; L92-W97 HydrophobicContact CD2-CZ2 3.13Å; L92-W97 HydrophobicContact CD2-CZ3 4.3Å
93	P	58.6	Low	87.8	Confident	107 Å²	107	63.9 Å²	63.9	70%	0.695	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.1	-15.3	2.1	34.1	-32.4	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 3.1Å
94	R	65.5	Low	87.8	Confident	244 Å²	244	64.8 Å²	64.8	92%	0.921	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	11	-172.2	-70.7	-174.8	176.8	153.9	-1	115.1
95	G	75.4	Confident	87.6	Confident	16 Å²	16	65 Å²	65	17%	0.165	33%	0.326	C	S	.	.	S	Bend	trans	-81.2	-165.8	-179.1	0	0	0	0	0	114.1	E91	E91-G95 WeakPolarHBondContact O-CA 3.49Å; E91-G95 PolarHBondContact O-N 3.32Å
96	Y	85.8	Confident	87.2	Confident	169 Å²	169	65.5 Å²	65.5	66%	0.663	33%	0.331	S	S	*	.			trans	-76.5	125.6	179.8	-57.9	-80.1	0	0	0	111.4	A89 R90	A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 VanDerWaalsContact CA-O 3.22Å; A89-Y96 WeakPolarHBondContact CA-O 3.4Å; R90-Y96 PolarHBondContact N-O 3.1Å
97	W	90.8	Very high	86	Confident	93 Å²	93	73.2 Å²	73.2	35%	0.352	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-107.5	143	176.8	-68.7	80.6	0	0	0	110.9	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.34Å; V29-W97 HydrophobicContact CB-CZ3 3.98Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.2Å; V29-W97 HydrophobicContact CG2-CH2 3.96Å; V29-W97 HydrophobicContact CG2-CZ3 3.91Å; L37-W97 HydrophobicContact CD1-CH2 3.81Å; L37-W97 HydrophobicContact CD1-CZ2 4.34Å; L37-W97 HydrophobicContact CD1-CZ3 4.49Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.86Å; F87-W97 HydrophobicContact CG-CE3 4.2Å; F87-W97 HydrophobicContact CG-CZ3 4.36Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.87Å; A89-W97 HydrophobicContact CB-CG 4.25Å; A89-W97 HydrophobicContact CB-CH2 4.45Å; A89-W97 HydrophobicContact CB-CZ2 4.41Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å; L92-W97 HydrophobicContact CD2-CH2 3.38Å; L92-W97 HydrophobicContact CD2-CZ2 3.13Å; L92-W97 HydrophobicContact CD2-CZ3 4.3Å; P93-W97 PolarHBondContact O-NE1 3.1Å
98	G	91.2	Very high	85.5	Confident	27 Å²	27	75.3 Å²	75.3	28%	0.278	40%	0.397	S	S	.	.			trans	-70.9	164.5	165.2	0	0	0	0	0	111.6	C88 G100	C88-G98 PolarHBondContact O-N 3Å; G98-G100 PolarHBondContact O-N 3.49Å; G98-G100 VanDerWaalsContact O-N 3.16Å
99	Q	92.1	Very high	85.1	Confident	201 Å²	201	78.6 Å²	78.6	94%	0.939	41%	0.414	S	S	*	.			trans	-63.3	-20.5	178.9	-67.7	-177.1	-14.6	0	0	113.6
100	G	93.6	Very high	84.6	Confident	26 Å²	26	82.9 Å²	82.9	27%	0.268	44%	0.437	S	S	.	.			trans	88.3	147.3	-177.5	0	0	0	0	0	112.8	Y86 G98	Y86-G100 CarbonylContact O-C 3.57Å; Y86-G100 VanDerWaalsContact O-CA 3.26Å; Y86-G100 WeakPolarHBondContact O-CA 3.5Å; G98-G100 PolarHBondContact O-N 3.49Å; G98-G100 VanDerWaalsContact O-N 3.16Å
101	T	95.8	Very high	84.5	Confident	49 Å²	49	84.2 Å²	84.2	30%	0.301	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.3	177.5	-59.7	0	0	0	0	108.8	I12 V85 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.3Å; V85-T101 WeakPolarHBondContact CA-O 3.18Å; Y86-T101 PolarHBondContact N-O 3.37Å; Y86-T101 PolarHBondContact O-N 3.05Å; T101-L103 PolarHBondContact O-N 3.36Å
102	T	96.3	Very high	85	Confident	58 Å²	58	83.5 Å²	83.5	36%	0.356	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.5	172.7	-49.4	0	0	0	0	109.9	P1 E2	P1-T102 CarbonylContact C-O 3.59Å; P1-T102 VanDerWaalsContact CA-O 3.22Å; P1-T102 WeakPolarHBondContact CA-O 3.47Å; P1-T102 HydrophobicContact CB-CG2 4.3Å; E2-T102 PolarHBondContact N-O 2.63Å
103	L	94.9	Very high	85.9	Confident	1 Å²	1	84.5 Å²	84.5	1%	0.005	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.9	172	-178.6	69.1	0	0	0	108.9	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.03Å; E2-L103 HydrophobicContact CG-CD1 4.42Å; V4-L103 HydrophobicContact CG1-CD1 4.15Å; V4-L103 HydrophobicContact CG2-CD1 3.81Å; V4-L103 HydrophobicContact CG2-CG 4.47Å; V10-L103 HydrophobicContact CB-CD1 4.44Å; V10-L103 HydrophobicContact CG1-CD1 4.14Å; V10-L103 HydrophobicContact CG1-CD2 3.85Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å; L75-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; S83-L103 CarbonylContact C-O 3.55Å; S83-L103 VanDerWaalsContact CA-O 3.27Å; S83-L103 WeakPolarHBondContact CA-O 3.24Å; A84-L103 PolarHBondContact N-O 2.9Å; A84-L103 PolarHBondContact O-N 3.42Å; Y86-L103 HydrophobicContact CD2-CB 3.93Å; Y86-L103 HydrophobicContact CD2-CD2 4.36Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.68Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å; T101-L103 PolarHBondContact O-N 3.36Å; L103-V105 HydrophobicContact CG-CG2 4.45Å
104	T	95	Very high	87.8	Confident	56 Å²	56	82.9 Å²	82.9	34%	0.344	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.3	175.4	-57.5	0	0	0	0	109	E2 L3 V4	E2-T104 PolarHBondContact O-N 3.49Å; L3-T104 WeakPolarHBondContact CA-O 3.37Å; L3-T104 HydrophobicContact CD1-CG2 3.77Å; V4-T104 PolarHBondContact N-O 2.65Å
105	V	93.1	Very high	89.6	Confident	10 Å²	10	70.5 Å²	70.5	6%	0.061	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.8	176.8	-169.9	0	0	0	0	108.5	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.29Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.77Å; V4-V105 WeakPolarHBondContact O-CA 3.49Å; P6-V105 HydrophobicContact CB-CG1 4.49Å; P6-V105 HydrophobicContact CG-CG1 4.16Å; L78-V105 HydrophobicContact CB-CG1 4.25Å; L78-V105 HydrophobicContact CB-CG2 4.08Å; L78-V105 HydrophobicContact CD1-CG2 4.37Å; T79-V105 WeakPolarHBondContact O-CB 3.46Å; T79-V105 WeakPolarHBondContact O-CG2 3.34Å; D82-V105 HydrophobicContact CB-CG2 4.22Å; S83-V105 PolarHBondContact OG-N 3.22Å; L103-V105 HydrophobicContact CG-CG2 4.45Å
106	S	88.6	Confident	90.7	Very high	47 Å²	47	75.1 Å²	75.1	33%	0.329	42%	0.42	S	S	.	.			trans	-126.2	139.6	-177.6	65.7	0	0	0	0	111.5	L3 V4 P6	L3-S106 VanDerWaalsContact CD1-OG 3.25Å; L3-S106 WeakPolarHBondContact CD1-OG 3.4Å; V4-S106 PolarHBondContact O-N 3.22Å; P6-S106 WeakPolarHBondContact CD-O 3.46Å
107	S	71.9	Confident	91.2	Very high	164 Å²	164	66.5 Å²	66.5	100%	1.147	40%	0.398	S	S	*	.			trans	-66.4	0	170.3	55.8	0	0	0	0	112.2

Retrieved 107 of 107 residues in 43.2 ms (Link to these results)

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