X5J4D7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4D7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J4D7_MOUSE|X5J4D7
AELVRPGSSVKLSCKASGYTFTEYTIHWVKQRSGQGLEWIGWFYPGSGSIKYNEKFKDKATLTADKSSSTVYMELSRLTSEDSAVYFCAGHEGGNYDFAWFAYWGQGTLATVS
					

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(Predicted Aligned Error values between residue pairs)

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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	A	79.4	Confident	92.9	Very high	108 Å²	108	81.2 Å²	81.2	89%	0.893	47%	0.468	S	S	*	.				0	141.2	0	0	0	0	0	0	107.9	L109	A1-L109 CarbonylContact C-O 3.54Å; A1-L109 WeakPolarHBondContact CA-O 3.29Å; A1-L109 HydrophobicContact CB-CB 3.97Å; A1-L109 HydrophobicContact CB-CD2 4.34Å; A1-L109 HydrophobicContact CB-CG 4.39Å; A1-L109 WeakPolarHBondContact CB-O 3.43Å
2	E	88.3	Confident	93.2	Very high	77 Å²	77	74.5 Å²	74.5	36%	0.36	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126	-179	-64.6	-155.1	-158.2	0	0	110.5	V4 V10 L109 A110 T111	E2-V4 HydrophobicContact CB-CG1 4.48Å; E2-V10 HydrophobicContact CB-CG2 4.16Å; E2-V10 HydrophobicContact CG-CG2 4.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.36Å; E2-L109 PolarHBondContact N-O 3.28Å; E2-A110 CarbonylContact O-C 3.56Å; E2-A110 WeakPolarHBondContact O-CA 3.29Å; E2-T111 PolarHBondContact O-N 3.39Å
3	L	92.9	Very high	93.4	Very high	134 Å²	134	74.2 Å²	74.2	70%	0.702	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.7	172.8	-174.4	66.9	0	0	0	108.4	T111 S113	L3-T111 HydrophobicContact CD1-CG2 4.07Å; L3-S113 WeakPolarHBondContact CD1-OG 3.31Å
4	V	93.8	Very high	93.4	Very high	18 Å²	18	70.1 Å²	70.1	11%	0.109	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.9	-170	-70.8	0	0	0	0	110.7	E2 V10 L78 T111 V112 S113	E2-V4 HydrophobicContact CB-CG1 4.48Å; V4-V10 HydrophobicContact CG1-CB 4.02Å; V4-V10 HydrophobicContact CG1-CG2 3.84Å; V4-L78 HydrophobicContact CB-CD1 4.17Å; V4-L78 HydrophobicContact CG2-CD1 3.71Å; V4-T111 VanDerWaalsContact CG2-O 3.26Å; V4-T111 WeakPolarHBondContact CG2-O 3.34Å; V4-T111 PolarHBondContact N-O 2.82Å; V4-V112 HydrophobicContact CG2-CB 4.38Å; V4-V112 HydrophobicContact CG2-CG2 3.8Å; V4-V112 WeakPolarHBondContact O-CA 3.11Å; V4-S113 PolarHBondContact O-N 2.63Å; V4-S113 VanDerWaalsContact O-N 3.15Å
5	R	93.8	Very high	93.4	Very high	201 Å²	201	75.5 Å²	75.5	76%	0.758	43%	0.428	S	S	*	.			trans	-86.1	148.3	-177.6	-66.4	-178.8	-178.2	174	0.6	110.3	G7 S8	R5-G7 PolarHBondContact O-N 3.25Å; R5-S8 PolarHBondContact N-OG 3.01Å; R5-S8 WeakPolarHBondContact O-CB 3.5Å; R5-S8 PolarHBondContact O-N 3.25Å; R5-S8 VanDerWaalsContact O-N 3.13Å; R5-S8 PolarHBondContact O-OG 2.95Å
6	P	95.2	Very high	93	Very high	80 Å²	80	71.4 Å²	71.4	52%	0.519	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.7	168.8	-25	33.1	0	0	0	111.8	S8 V112	P6-S8 PolarHBondContact O-N 3.11Å; P6-V112 HydrophobicContact CB-CG1 4.33Å; P6-V112 HydrophobicContact CG-CG1 4.06Å
7	G	94	Very high	92.6	Very high	57 Å²	57	72.8 Å²	72.8	59%	0.588	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-11.7	-178.2	0	0	0	0	0	115.2	R5 L78	R5-G7 PolarHBondContact O-N 3.25Å; G7-L78 PolarHBondContact N-O 3.07Å
8	S	95.4	Very high	92	Very high	41 Å²	41	73.3 Å²	73.3	29%	0.287	45%	0.445	S	S	.	.			trans	-78.8	177	176.7	80.9	0	0	0	0	112.3	R5 P6 R77 L78	R5-S8 PolarHBondContact N-OG 3.01Å; R5-S8 WeakPolarHBondContact O-CB 3.5Å; R5-S8 PolarHBondContact O-N 3.25Å; R5-S8 VanDerWaalsContact O-N 3.13Å; R5-S8 PolarHBondContact O-OG 2.95Å; P6-S8 PolarHBondContact O-N 3.11Å; S8-R77 PolarHBondContact O-N 2.78Å; S8-L78 WeakPolarHBondContact O-CB 3.39Å; S8-L78 WeakPolarHBondContact O-CG 3.46Å; S8-L78 PolarHBondContact O-N 2.83Å
9	S	96	Very high	91.4	Very high	59 Å²	59	71.8 Å²	71.8	41%	0.413	43%	0.431	S	S	.	.			trans	-107.7	158.9	169.8	-57.9	0	0	0	0	110.9	L75 S76	S9-L75 CarbonylContact C-O 3.45Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.05Å
10	V	95.9	Very high	91.2	Very high	6 Å²	6	71.8 Å²	71.8	4%	0.036	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.5	172.3	72.7	0	0	0	0	109.7	E2 V4 L12 E74 L75 L78	E2-V10 HydrophobicContact CB-CG2 4.16Å; E2-V10 HydrophobicContact CG-CG2 4.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.36Å; V4-V10 HydrophobicContact CG1-CB 4.02Å; V4-V10 HydrophobicContact CG1-CG2 3.84Å; V10-L12 HydrophobicContact CG1-CG 4.48Å; V10-L12 HydrophobicContact CG2-CD2 4.01Å; V10-E74 CarbonylContact O-C 3.49Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.32Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 3.49Å; V10-L78 HydrophobicContact CB-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD1 3.68Å; V10-L78 HydrophobicContact CG1-CD2 4.38Å
11	K	96.7	Very high	91.1	Very high	112 Å²	112	68.8 Å²	68.8	49%	0.487	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.2	178	-174.8	176.2	180	175.8	0	110.2	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; K11-M73 WeakPolarHBondContact CA-O 3.45Å
12	L	96.6	Very high	91.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.3	177	-53.6	-176.6	0	0	0	110.1	V10 W28 Y72 M73 Y86 T108	V10-L12 HydrophobicContact CG1-CG 4.48Å; V10-L12 HydrophobicContact CG2-CD2 4.01Å; L12-W28 HydrophobicContact CB-CH2 3.97Å; L12-W28 HydrophobicContact CB-CZ3 4.14Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.19Å; L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 HydrophobicContact CG-CE 4.46Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.23Å; L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 4.28Å; L12-Y86 HydrophobicContact CD1-CD2 3.79Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å; L12-T108 HydrophobicContact CD2-CG2 4.02Å
13	S	95.8	Very high	91.6	Very high	71 Å²	71	67 Å²	67	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.7	177.7	66	0	0	0	0	111.1	V71 Y72	S13-V71 CarbonylContact C-O 3.58Å; S13-V71 WeakPolarHBondContact CA-O 3.3Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	93.8	Very high	91.4	Very high	16 Å²	16	61.9 Å²	61.9	11%	0.108	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	112.9	171.4	170	0	0	0	0	109.3	W28 T70 V71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; C14-V71 HydrophobicContact CB-CG2 3.79Å; C14-V71 PolarHBondContact N-O 2.76Å; C14-V71 PolarHBondContact O-N 3.11Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15	K	93	Very high	91.3	Very high	152 Å²	152	61.6 Å²	61.6	66%	0.661	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.1	178.6	-173.7	174.1	-177.1	179.4	0	109.7
16	A	88.2	Confident	91.2	Very high	10 Å²	10	52.1 Å²	52.1	8%	0.083	32%	0.324	C	S	.	.			trans	-74	146.2	172.5	0	0	0	0	0	111	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.24Å; A16-Y19 HydrophobicContact CB-CE2 3.62Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 3.99Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-S69 WeakPolarHBondContact CB-O 3.3Å; A16-S69 PolarHBondContact N-O 3.29Å
17	S	84.9	Confident	91.1	Very high	95 Å²	95	49.2 Å²	49.2	66%	0.664	30%	0.303	S	S	*	.			trans	-152.5	140.7	176.7	59.4	0	0	0	0	110.1	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.26Å
18	G	81.8	Confident	91.2	Very high	82 Å²	82	46.7 Å²	46.7	85%	0.845	28%	0.276	S	S	*	.	S	Bend	trans	86.7	5.4	176.2	0	0	0	0	0	115.6
19	Y	80.6	Confident	91.3	Very high	45 Å²	45	45 Å²	45	18%	0.176	26%	0.264	C	S	.	.	S	Bend	trans	-151.6	163.7	176.4	55.9	-93.8	0	0	0	112.2	A16 S17 F21 Y24 I26 Y103	A16-Y19 HydrophobicContact CB-CE1 4.24Å; A16-Y19 HydrophobicContact CB-CE2 3.62Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; S17-Y19 WeakPolarHBondContact O-CD1 3.26Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-Y24 AromaticContact CD2-CD1 3.85Å; Y19-Y24 HydrophobicContact CD2-CD1 3.85Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CE1 4.22Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 AromaticContact CD2-CG 3.45Å; Y19-Y24 HydrophobicContact CD2-CG 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CG 3.45Å; Y19-Y24 AromaticContact CE2-CD1 3.97Å; Y19-Y24 HydrophobicContact CE2-CD1 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 4.17Å; Y19-Y24 AromaticContact CE2-CG 3.68Å; Y19-Y24 HydrophobicContact CE2-CG 3.68Å; Y19-Y24 HydrophobicContact CG-CD1 4.27Å; Y19-Y24 HydrophobicContact CG-CD2 4.11Å; Y19-Y24 HydrophobicContact CG-CE1 4.19Å; Y19-Y24 HydrophobicContact CG-CE2 4.06Å; Y19-Y24 HydrophobicContact CG-CG 4.23Å; Y19-I26 HydrophobicContact CE2-CD1 4.21Å; Y19-Y103 HydrophobicContact CD1-CD2 4.04Å; Y19-Y103 HydrophobicContact CD1-CE2 4.19Å; Y19-Y103 HydrophobicContact CD1-CG 4.37Å; Y19-Y103 HydrophobicContact CE1-CD2 4.1Å; Y19-Y103 HydrophobicContact CE1-CG 4.18Å
20	T	87.8	Confident	91.2	Very high	71 Å²	71	42.2 Å²	42.2	44%	0.436	24%	0.244	S	C	.	.			trans	-69	99.5	173.7	-50.3	0	0	0	0	109.7	T22 E23 Y24	T20-T22 PolarHBondContact O-N 3.42Å; T20-E23 VanDerWaalsContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CB-OE2 3.43Å; T20-E23 HydrophobicContact CG2-CB 4.34Å; T20-E23 HydrophobicContact CG2-CG 3.74Å; T20-E23 PolarHBondContact O-N 2.93Å; T20-E23 PolarHBondContact OG1-OE2 2.96Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å
21	F	88.6	Confident	91.2	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.035	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.7	-173.9	176.3	-118	0	0	0	114.5	A16 Y19 E23 Y24 I26 P45 A64 V71	A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 3.99Å; A16-F21 HydrophobicContact CB-CG 4.17Å; Y19-F21 PolarHBondContact O-N 2.88Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 2.92Å; F21-Y24 PolarHBondContact O-N 2.83Å; F21-I26 HydrophobicContact CE2-CG1 4.08Å; F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD1-CG 4.11Å; F21-P45 HydrophobicContact CD2-CG 4.28Å; F21-P45 HydrophobicContact CE1-CB 3.63Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 4.05Å; F21-P45 HydrophobicContact CZ-CG 3.53Å; F21-A64 HydrophobicContact CE1-CB 4.32Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; F21-V71 HydrophobicContact CE2-CG1 3.74Å; F21-V71 HydrophobicContact CZ-CG1 3.52Å
22	T	90.6	Very high	91.1	Very high	53 Å²	53	42.9 Å²	42.9	33%	0.325	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-75.3	-12.5	-178.4	49.1	0	0	0	0	114.6	T20 Y44 G46 K66	T20-T22 PolarHBondContact O-N 3.42Å; T22-Y44 WeakPolarHBondContact O-CE2 3.3Å; T22-Y44 PolarHBondContact O-OH 3.04Å; T22-G46 WeakPolarHBondContact O-CA 3.04Å; T22-G46 PolarHBondContact O-N 3.44Å; T22-G46 VanDerWaalsContact O-N 3.12Å; T22-K66 HydrophobicContact CG2-CD 4.43Å
23	E	88.6	Confident	90.6	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-96.9	-1.3	178.8	-65.5	173.2	175.8	0	0	112.2	T20 F21 G93	T20-E23 VanDerWaalsContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CB-OE2 3.43Å; T20-E23 HydrophobicContact CG2-CB 4.34Å; T20-E23 HydrophobicContact CG2-CG 3.74Å; T20-E23 PolarHBondContact O-N 2.93Å; T20-E23 PolarHBondContact OG1-OE2 2.96Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 2.92Å; E23-G93 PolarHBondContact O-N 2.8Å
24	Y	88.6	Confident	90.3	Very high	26 Å²	26	49.6 Å²	49.6	10%	0.102	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.5	-175.1	-82.6	-113.2	0	0	0	112.1	Y19 T20 F21 Y44 P45 H91 E92 Y103	Y19-Y24 AromaticContact CD2-CD1 3.85Å; Y19-Y24 HydrophobicContact CD2-CD1 3.85Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CE1 4.22Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 AromaticContact CD2-CG 3.45Å; Y19-Y24 HydrophobicContact CD2-CG 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CG 3.45Å; Y19-Y24 AromaticContact CE2-CD1 3.97Å; Y19-Y24 HydrophobicContact CE2-CD1 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 4.17Å; Y19-Y24 AromaticContact CE2-CG 3.68Å; Y19-Y24 HydrophobicContact CE2-CG 3.68Å; Y19-Y24 HydrophobicContact CG-CD1 4.27Å; Y19-Y24 HydrophobicContact CG-CD2 4.11Å; Y19-Y24 HydrophobicContact CG-CE1 4.19Å; Y19-Y24 HydrophobicContact CG-CE2 4.06Å; Y19-Y24 HydrophobicContact CG-CG 4.23Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å; F21-Y24 PolarHBondContact O-N 2.83Å; Y24-Y44 WeakPolarHBondContact O-CD2 3.35Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-H91 CarbonylContact C-O 3.48Å; Y24-H91 VanDerWaalsContact CA-O 3.3Å; Y24-H91 WeakPolarHBondContact CA-O 3Å; Y24-H91 WeakPolarHBondContact CD1-O 3.43Å; Y24-E92 HydrophobicContact CE1-CB 4.16Å; Y24-E92 HydrophobicContact CE2-CB 4.23Å; Y24-E92 HydrophobicContact CE2-CG 4.29Å; Y24-Y103 AromaticContact CE1-CD2 3.97Å; Y24-Y103 HydrophobicContact CE1-CD2 3.97Å; Y24-Y103 AromaticContact CE1-CE2 3.86Å; Y24-Y103 HydrophobicContact CE1-CE2 3.86Å
25	T	90.6	Very high	90.2	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.08	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.7	167.7	-61.2	0	0	0	0	108.8	W42 Y44 G90 H91	T25-W42 HydrophobicContact CG2-CB 3.74Å; T25-W42 HydrophobicContact CG2-CD2 3.68Å; T25-W42 HydrophobicContact CG2-CE3 3.57Å; T25-W42 HydrophobicContact CG2-CG 3.76Å; T25-W42 HydrophobicContact CG2-CZ3 4.38Å; T25-Y44 WeakPolarHBondContact OG1-CD2 3.47Å; T25-G90 WeakPolarHBondContact O-CA 3.45Å; T25-H91 WeakPolarHBondContact CB-CE1 3.38Å; T25-H91 PolarHBondContact N-O 3.05Å; T25-H91 PolarHBondContact O-N 3.4Å
26	I	92.3	Very high	90.1	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.1	-178.3	-45.5	-59.8	0	0	0	109.7	Y19 F21 W42 F43 V71 C88 A89	Y19-I26 HydrophobicContact CE2-CD1 4.21Å; F21-I26 HydrophobicContact CE2-CG1 4.08Å; I26-W42 CarbonylContact O-C 3.57Å; I26-W42 WeakPolarHBondContact O-CA 3.31Å; I26-W42 WeakPolarHBondContact O-CB 3.45Å; I26-F43 PolarHBondContact N-O 2.9Å; I26-F43 PolarHBondContact O-N 3.49Å; I26-V71 HydrophobicContact CB-CG1 4Å; I26-V71 HydrophobicContact CB-CG2 4.19Å; I26-V71 HydrophobicContact CG1-CG1 3.94Å; I26-V71 HydrophobicContact CG2-CG1 4.31Å; I26-V71 HydrophobicContact CG2-CG2 3.58Å; I26-C88 HydrophobicContact CG2-CB 4.19Å; I26-A89 CarbonylContact C-O 3.59Å; I26-A89 WeakPolarHBondContact CA-O 3.46Å
27	H	93.9	Very high	90.3	Very high	19 Å²	19	53.2 Å²	53.2	9%	0.088	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.4	179.6	-65.1	-119.7	0	0	0	110.8	W39 G41 W42 C88 A89 H91 F101	H27-W39 AromaticContact CG-NE1 3.87Å; H27-W39 AromaticContact ND1-CD1 3.8Å; H27-W39 AromaticContact ND1-CE2 4Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 3.15Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; H27-G41 CarbonylContact C-O 3.34Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; H27-W42 HydrophobicContact CB-CB 4.37Å; H27-W42 AromaticContact CE1-CD1 3.69Å; H27-W42 AromaticContact ND1-CD1 3.98Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; H27-A89 PolarHBondContact N-O 3.45Å; H27-A89 PolarHBondContact O-N 3.34Å; H27-H91 AromaticContact CD2-ND1 3.59Å; H27-H91 AromaticContact CE1-CE1 3.98Å; H27-H91 AromaticContact NE2-CE1 3.05Å; H27-H91 PolarHBondContact NE2-CE1 2.83Å; H27-H91 AromaticContact NE2-ND1 2.98Å; H27-H91 PolarHBondContact NE2-ND1 2.95Å; H27-F101 HydrophobicContact CB-CD1 4.38Å; H27-F101 HydrophobicContact CB-CE1 3.58Å; H27-F101 HydrophobicContact CB-CZ 4.24Å; H27-F101 AromaticContact CD2-CE1 3.57Å; H27-F101 AromaticContact CE1-CE1 3.94Å; H27-F101 AromaticContact CG-CE1 3.35Å; H27-F101 AromaticContact ND1-CE1 3.59Å; H27-F101 AromaticContact ND1-CZ 3.93Å; H27-F101 AromaticContact NE2-CE1 3.94Å
28	W	96.4	Very high	90.8	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135	168.5	-75.5	96.2	0	0	0	110.1	L12 C14 I40 G41 L62 V71 M73 F87 C88	L12-W28 HydrophobicContact CB-CH2 3.97Å; L12-W28 HydrophobicContact CB-CZ3 4.14Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 HydrophobicContact CB-CG2 4.45Å; W28-I40 WeakPolarHBondContact O-CB 3.3Å; W28-I40 PolarHBondContact O-N 2.68Å; W28-G41 PolarHBondContact N-O 3.32Å; W28-L62 HydrophobicContact CG-CD2 4.19Å; W28-V71 HydrophobicContact CZ2-CG2 3.93Å; W28-M73 HydrophobicContact CB-SD 4.01Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.26Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.24Å; W28-M73 HydrophobicContact CE3-CE 3.85Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.33Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-F87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å
29	V	95.8	Very high	91.4	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.6	-176.5	-174.7	0	0	0	0	109.1	L37 E38 Y86 F87 W104	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 2.97Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.08Å; V29-F87 PolarHBondContact N-O 3.04Å; V29-F87 PolarHBondContact O-N 3.29Å; V29-W104 HydrophobicContact CB-CH2 4.29Å; V29-W104 HydrophobicContact CB-CZ3 4.18Å; V29-W104 HydrophobicContact CG1-CH2 4.3Å; V29-W104 HydrophobicContact CG1-CZ3 4.44Å; V29-W104 HydrophobicContact CG2-CH2 4Å; V29-W104 HydrophobicContact CG2-CZ3 4.23Å
30	K	95.5	Very high	92.2	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.2	175.8	-179.8	-175.7	-179.8	-172.9	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.86Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; K30-F56 HydrophobicContact CD-CE1 4.21Å; K30-F56 HydrophobicContact CD-CZ 4.24Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.62Å; K30-A84 HydrophobicContact CD-CB 4.1Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.02Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 HydrophobicContact CG-CD1 4.18Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å
31	Q	95.8	Very high	92.6	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.36	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.7	170.9	-165.5	-180	25	0	0	110.1	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; Q31-A84 WeakPolarHBondContact O-CA 3.29Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.01Å; Q31-V85 PolarHBondContact N-O 3.29Å; Q31-V85 PolarHBondContact O-N 3.03Å; Q31-F87 HydrophobicContact CB-CD2 4.39Å; Q31-F87 HydrophobicContact CB-CE2 3.79Å
32	R	93.5	Very high	92.9	Very high	54 Å²	54	47 Å²	47	20%	0.204	27%	0.27	C	S	.	.			trans	-85	150.7	169.9	-66.3	-176.8	-125.1	-165.7	-1.9	110	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.38Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.08Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 VanDerWaalsContact CZ-OE1 3.31Å; R32-E38 IonicContact NE-OE1 3.99Å; R32-E38 PolarHBondContact NE-OE1 2.89Å; R32-E38 IonicContact NH2-OE1 3.61Å; R32-E38 PolarHBondContact NH2-OE1 3.07Å; R32-E38 IonicContact NH2-OE2 3.31Å; R32-E81 PolarHBondContact NH1-O 2.91Å; R32-E81 IonicContact NH1-OE2 2.83Å; R32-A84 HydrophobicContact CG-CB 4.11Å
33	S	87.5	Confident	93	Very high	126 Å²	126	45.7 Å²	45.7	88%	0.881	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	126.8	175.1	-171.1	0	0	0	0	110.3	Q35	S33-Q35 PolarHBondContact O-N 2.8Å
34	G	88.2	Confident	93.3	Very high	88 Å²	88	44.1 Å²	44.1	91%	0.907	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	6.2	-178.3	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.38Å
35	Q	91	Very high	93.5	Very high	102 Å²	102	42.9 Å²	42.9	48%	0.477	25%	0.246	S	C	.	.	S	Bend	trans	-117.2	162.6	176.7	-57.6	-172.7	-3	0	0	111.7	R32 S33	R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.08Å; S33-Q35 PolarHBondContact O-N 2.8Å
36	G	91.1	Very high	93.5	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	26%	0.259	S	S	*	.			trans	-69.2	176.2	174.2	0	0	0	0	0	113.4
37	L	93.4	Very high	93.5	Very high	97 Å²	97	47.2 Å²	47.2	51%	0.508	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.2	174	-65.2	175.2	0	0	0	110.6	V29 Q31 W104	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; L37-W104 HydrophobicContact CD1-CH2 3.93Å
38	E	95.3	Very high	93.4	Very high	34 Å²	34	48 Å²	48	16%	0.159	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.5	174.1	-61.4	-170.2	-92.8	0	0	109.4	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 2.97Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 VanDerWaalsContact CZ-OE1 3.31Å; R32-E38 IonicContact NE-OE1 3.99Å; R32-E38 PolarHBondContact NE-OE1 2.89Å; R32-E38 IonicContact NH2-OE1 3.61Å; R32-E38 PolarHBondContact NH2-OE1 3.07Å; R32-E38 IonicContact NH2-OE2 3.31Å; E38-I40 PolarHBondContact O-N 3.01Å; E38-F56 HydrophobicContact CB-CZ 4.46Å
39	W	95.2	Very high	93.3	Very high	73 Å²	73	50.5 Å²	50.5	28%	0.277	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.8	175.4	178.1	69.7	0	0	0	111	H27 G41 W42 K51 N53	H27-W39 AromaticContact CG-NE1 3.87Å; H27-W39 AromaticContact ND1-CD1 3.8Å; H27-W39 AromaticContact ND1-CE2 4Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 3.15Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-W42 HydrophobicContact CZ2-CB 4.33Å; W39-W42 AromaticContact CZ2-CD1 3.4Å; W39-W42 VanDerWaalsContact CZ2-CD1 3.4Å; W39-W42 HydrophobicContact CZ2-CG 4.12Å; W39-K51 HydrophobicContact CH2-CB 4.38Å; W39-K51 HydrophobicContact CH2-CD 4.15Å; W39-K51 HydrophobicContact CH2-CG 4.05Å; W39-N53 HydrophobicContact CE3-CB 3.74Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.13Å; W39-N53 PolarHBondContact O-ND2 3Å
40	I	96.9	Very high	93.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-46.3	-177.8	-67.9	160.1	0	0	0	111.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 HydrophobicContact CB-CG2 4.45Å; W28-I40 WeakPolarHBondContact O-CB 3.3Å; W28-I40 PolarHBondContact O-N 2.68Å; K30-I40 HydrophobicContact CB-CD1 3.86Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; E38-I40 PolarHBondContact O-N 3.01Å; I40-N53 WeakPolarHBondContact O-CB 3.44Å; I40-N53 PolarHBondContact O-N 2.83Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4.09Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.85Å; I40-F56 HydrophobicContact CG2-CD1 4.38Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; I40-A60 HydrophobicContact CG2-CB 3.85Å; I40-M73 HydrophobicContact CD1-CE 4.11Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.96Å; I40-Y86 HydrophobicContact CD1-CD1 3.8Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å
41	G	95.7	Very high	93.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	175.8	-169.6	0	0	0	0	0	112	H27 W28 W39 K51	H27-G41 CarbonylContact C-O 3.34Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; W28-G41 PolarHBondContact N-O 3.32Å; W39-G41 PolarHBondContact NE1-O 2.82Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.45Å
42	W	94.6	Very high	93.3	Very high	62 Å²	62	58 Å²	58	24%	0.235	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154	169.7	63.6	-113.3	0	0	0	111.4	T25 I26 H27 W39 S49 I50 K51	T25-W42 HydrophobicContact CG2-CB 3.74Å; T25-W42 HydrophobicContact CG2-CD2 3.68Å; T25-W42 HydrophobicContact CG2-CE3 3.57Å; T25-W42 HydrophobicContact CG2-CG 3.76Å; T25-W42 HydrophobicContact CG2-CZ3 4.38Å; I26-W42 CarbonylContact O-C 3.57Å; I26-W42 WeakPolarHBondContact O-CA 3.31Å; I26-W42 WeakPolarHBondContact O-CB 3.45Å; H27-W42 HydrophobicContact CB-CB 4.37Å; H27-W42 AromaticContact CE1-CD1 3.69Å; H27-W42 AromaticContact ND1-CD1 3.98Å; W39-W42 HydrophobicContact CZ2-CB 4.33Å; W39-W42 AromaticContact CZ2-CD1 3.4Å; W39-W42 VanDerWaalsContact CZ2-CD1 3.4Å; W39-W42 HydrophobicContact CZ2-CG 4.12Å; W42-S49 VanDerWaalsContact CZ3-O 3.29Å; W42-S49 WeakPolarHBondContact CZ3-O 3.33Å; W42-I50 WeakPolarHBondContact O-CA 3.18Å; W42-I50 WeakPolarHBondContact O-CG1 3.44Å; W42-K51 HydrophobicContact CD2-CB 3.97Å; W42-K51 HydrophobicContact CG-CB 4.28Å; W42-K51 HydrophobicContact CH2-CB 4.5Å; W42-K51 HydrophobicContact CZ2-CB 3.67Å; W42-K51 HydrophobicContact CZ2-CD 4.37Å; W42-K51 PolarHBondContact N-O 2.87Å; W42-K51 PolarHBondContact O-N 2.79Å
43	F	94.2	Very high	93.5	Very high	26 Å²	26	57.5 Å²	57.5	11%	0.114	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.5	174.1	-171.4	-87.7	0	0	0	109.1	I26 P45 I50 L62 A64	I26-F43 PolarHBondContact N-O 2.9Å; I26-F43 PolarHBondContact O-N 3.49Å; F43-P45 HydrophobicContact CD1-CB 4.48Å; F43-P45 HydrophobicContact CD1-CG 4.1Å; F43-P45 HydrophobicContact CE1-CB 4.27Å; F43-P45 HydrophobicContact CE1-CG 4.37Å; F43-P45 WeakPolarHBondContact O-CD 3.37Å; F43-I50 HydrophobicContact CD2-CB 4.12Å; F43-I50 HydrophobicContact CD2-CD1 4.06Å; F43-I50 HydrophobicContact CD2-CG1 4.17Å; F43-L62 HydrophobicContact CB-CB 4.28Å; F43-L62 HydrophobicContact CB-CD1 4.48Å; F43-L62 HydrophobicContact CD2-CB 4.39Å; F43-A64 HydrophobicContact CD1-CB 3.76Å; F43-A64 HydrophobicContact CE1-CB 3.31Å; F43-A64 HydrophobicContact CZ-CB 4.05Å
44	Y	93.4	Very high	93.8	Very high	62 Å²	62	58 Å²	58	24%	0.243	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.7	175.2	179.5	-125.7	0	0	0	109.4	T22 Y24 T25 G46 S47 G48 S49	T22-Y44 WeakPolarHBondContact O-CE2 3.3Å; T22-Y44 PolarHBondContact O-OH 3.04Å; Y24-Y44 WeakPolarHBondContact O-CD2 3.35Å; T25-Y44 WeakPolarHBondContact OG1-CD2 3.47Å; Y44-G46 PolarHBondContact O-N 2.77Å; Y44-S47 VanDerWaalsContact CD1-OG 3.25Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.41Å; Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.45Å; Y44-G48 PolarHBondContact O-N 2.8Å; Y44-S49 PolarHBondContact N-O 3.08Å; Y44-S49 PolarHBondContact O-N 2.83Å
45	P	92.2	Very high	94.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.1	-174.2	-17.7	31.4	0	0	0	114.3	F21 Y24 F43 K66 V71	F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD1-CG 4.11Å; F21-P45 HydrophobicContact CD2-CG 4.28Å; F21-P45 HydrophobicContact CE1-CB 3.63Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 4.05Å; F21-P45 HydrophobicContact CZ-CG 3.53Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; F43-P45 HydrophobicContact CD1-CB 4.48Å; F43-P45 HydrophobicContact CD1-CG 4.1Å; F43-P45 HydrophobicContact CE1-CB 4.27Å; F43-P45 HydrophobicContact CE1-CG 4.37Å; F43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-K66 WeakPolarHBondContact O-CE 3.47Å; P45-K66 PolarHBondContact O-NZ 3.05Å; P45-V71 HydrophobicContact CG-CG1 4.48Å
46	G	91.5	Very high	94.3	Very high	34 Å²	34	56.9 Å²	56.9	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-58.2	177.1	0	0	0	0	0	112.4	T22 Y44	T22-G46 WeakPolarHBondContact O-CA 3.04Å; T22-G46 PolarHBondContact O-N 3.44Å; T22-G46 VanDerWaalsContact O-N 3.12Å; Y44-G46 PolarHBondContact O-N 2.77Å
47	S	92.6	Very high	94.5	Very high	73 Å²	73	59.2 Å²	59.2	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.2	179.9	66.2	0	0	0	0	114.5	Y44 S49	Y44-S47 VanDerWaalsContact CD1-OG 3.25Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.41Å; S47-S49 VanDerWaalsContact C-N 3.25Å; S47-S49 VanDerWaalsContact OG-CB 3.25Å; S47-S49 WeakPolarHBondContact OG-CB 3.39Å; S47-S49 PolarHBondContact OG-N 3.11Å; S47-S49 VanDerWaalsContact OG-N 3.1Å; S47-S49 PolarHBondContact OG-OG 2.55Å
48	G	92.4	Very high	94.5	Very high	34 Å²	34	60.8 Å²	60.8	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	11.9	-167.8	0	0	0	0	0	113.7	Y44	Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.45Å; Y44-G48 PolarHBondContact O-N 2.8Å
49	S	93.5	Very high	94.5	Very high	57 Å²	57	61.2 Å²	61.2	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	144.3	176	-65.1	0	0	0	0	111.1	W42 Y44 S47	W42-S49 VanDerWaalsContact CZ3-O 3.29Å; W42-S49 WeakPolarHBondContact CZ3-O 3.33Å; Y44-S49 PolarHBondContact N-O 3.08Å; Y44-S49 PolarHBondContact O-N 2.83Å; S47-S49 VanDerWaalsContact C-N 3.25Å; S47-S49 VanDerWaalsContact OG-CB 3.25Å; S47-S49 WeakPolarHBondContact OG-CB 3.39Å; S47-S49 PolarHBondContact OG-N 3.11Å; S47-S49 VanDerWaalsContact OG-N 3.1Å; S47-S49 PolarHBondContact OG-OG 2.55Å
50	I	95.3	Very high	94.6	Very high	68 Å²	68	57.8 Å²	57.8	35%	0.349	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.8	-176	-168.7	170.6	0	0	0	110.3	W42 F43 Y52 L62	W42-I50 WeakPolarHBondContact O-CA 3.18Å; W42-I50 WeakPolarHBondContact O-CG1 3.44Å; F43-I50 HydrophobicContact CD2-CB 4.12Å; F43-I50 HydrophobicContact CD2-CD1 4.06Å; F43-I50 HydrophobicContact CD2-CG1 4.17Å; I50-Y52 HydrophobicContact CD1-CD2 4.42Å; I50-Y52 HydrophobicContact CD1-CE1 4.15Å; I50-Y52 HydrophobicContact CD1-CE2 3.44Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.44Å; I50-Y52 WeakPolarHBondContact CD1-OH 2.96Å; I50-Y52 HydrophobicContact CG1-CD2 4.34Å; I50-Y52 HydrophobicContact CG1-CE2 3.8Å; I50-Y52 HydrophobicContact CG2-CE2 4.46Å; I50-L62 HydrophobicContact CD1-CB 3.67Å; I50-L62 HydrophobicContact CD1-CD1 4.25Å; I50-L62 HydrophobicContact CD1-CG 4.06Å; I50-L62 HydrophobicContact CG1-CB 4.44Å; I50-L62 HydrophobicContact CG1-CD1 4.24Å
51	K	95.6	Very high	94.7	Very high	120 Å²	120	61.1 Å²	61.1	52%	0.522	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	170.5	-167.7	-178.3	180	175.8	0	109.7	W39 G41 W42	W39-K51 HydrophobicContact CH2-CB 4.38Å; W39-K51 HydrophobicContact CH2-CD 4.15Å; W39-K51 HydrophobicContact CH2-CG 4.05Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.45Å; W42-K51 HydrophobicContact CD2-CB 3.97Å; W42-K51 HydrophobicContact CG-CB 4.28Å; W42-K51 HydrophobicContact CH2-CB 4.5Å; W42-K51 HydrophobicContact CZ2-CB 3.67Å; W42-K51 HydrophobicContact CZ2-CD 4.37Å; W42-K51 PolarHBondContact N-O 2.87Å; W42-K51 PolarHBondContact O-N 2.79Å
52	Y	96.9	Very high	94.8	Very high	52 Å²	52	61.5 Å²	61.5	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	154.5	174.9	-65.7	-82.3	0	0	0	110.9	I50 K57 A60 L62	I50-Y52 HydrophobicContact CD1-CD2 4.42Å; I50-Y52 HydrophobicContact CD1-CE1 4.15Å; I50-Y52 HydrophobicContact CD1-CE2 3.44Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.44Å; I50-Y52 WeakPolarHBondContact CD1-OH 2.96Å; I50-Y52 HydrophobicContact CG1-CD2 4.34Å; I50-Y52 HydrophobicContact CG1-CE2 3.8Å; I50-Y52 HydrophobicContact CG2-CE2 4.46Å; Y52-K57 HydrophobicContact CD2-CG 4.49Å; Y52-A60 HydrophobicContact CE1-CB 4.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.37Å; Y52-A60 PolarHBondContact OH-O 2.01Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.75Å; Y52-L62 PolarHBondContact OH-N 3.13Å; Y52-L62 VanDerWaalsContact OH-N 3.1Å
53	N	96.2	Very high	94.8	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.241	33%	0.326	C	S	.	.			trans	-75.3	134.7	153.7	-178.7	-24.2	0	0	0	108.2	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.74Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.13Å; W39-N53 PolarHBondContact O-ND2 3Å; I40-N53 WeakPolarHBondContact O-CB 3.44Å; I40-N53 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact O-N 3.48Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.41Å; N53-K57 PolarHBondContact O-N 2.88Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	E	95.6	Very high	94.9	Very high	136 Å²	136	61.8 Å²	61.8	64%	0.636	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-54	-32.5	-178.3	-65.8	-58.3	146	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 2.95Å; E54-F56 VanDerWaalsContact O-N 3.17Å; E54-K57 PolarHBondContact O-N 3.02Å; E54-K57 IonicContact OE1-NZ 3.83Å; E54-K57 WeakPolarHBondContact OE2-CD 2.92Å; E54-K57 IonicContact OE2-NZ 3.59Å
55	K	93.6	Very high	95	Very high	156 Å²	156	61.5 Å²	61.5	68%	0.678	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-59.9	-26.3	175.6	-70.6	-175.5	176.9	-178	0	114.4	N53	N53-K55 PolarHBondContact O-N 3.48Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56	F	95.5	Very high	95	Very high	10 Å²	10	66.9 Å²	66.9	4%	0.044	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-116.3	-4.1	-172.2	-62.9	-84.1	0	0	0	113.3	K30 E38 I40 N53 E54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.21Å; K30-F56 HydrophobicContact CD-CZ 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4.09Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.85Å; I40-F56 HydrophobicContact CG2-CD1 4.38Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.41Å; E54-F56 PolarHBondContact O-N 2.95Å; E54-F56 VanDerWaalsContact O-N 3.17Å; F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.75Å; F56-K59 PolarHBondContact O-N 3.31Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.87Å
57	K	94.3	Very high	95	Very high	105 Å²	105	70.5 Å²	70.5	46%	0.457	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.6	-173.4	-172.9	178.3	-177.8	177.6	0	113.7	Y52 N53 E54	Y52-K57 HydrophobicContact CD2-CG 4.49Å; N53-K57 PolarHBondContact O-N 2.88Å; N53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 3.02Å; E54-K57 IonicContact OE1-NZ 3.83Å; E54-K57 WeakPolarHBondContact OE2-CD 2.92Å; E54-K57 IonicContact OE2-NZ 3.59Å
58	D	94.8	Very high	95.1	Very high	130 Å²	130	68.8 Å²	68.8	70%	0.695	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.3	178.5	-59.3	-37.8	0	0	0	113.1	F56 R77	F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.75Å; D58-R77 PolarHBondContact O-NH2 2.86Å
59	K	95.6	Very high	95.2	Very high	42 Å²	42	69 Å²	69	18%	0.183	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-38.8	-172.3	-162.6	168.9	-166.9	168.4	0	113.1	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.31Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; K59-S76 WeakPolarHBondContact CE-O 3.14Å; K59-S76 VanDerWaalsContact CG-O 3.3Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.89Å; K59-S76 PolarHBondContact O-OG 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 3.17Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.91Å
60	A	97.3	Very high	95.3	Very high	2 Å²	2	66.8 Å²	66.8	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.7	-176.5	0	0	0	0	0	111.1	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.85Å; Y52-A60 HydrophobicContact CE1-CB 4.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.37Å; Y52-A60 PolarHBondContact OH-O 2.01Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.87Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.43Å; A60-E74 CarbonylContact C-O 3.48Å; A60-E74 WeakPolarHBondContact CA-O 3.48Å; A60-L75 HydrophobicContact CB-CD2 3.8Å
61	T	97.8	Very high	95.3	Very high	70 Å²	70	63.5 Å²	63.5	43%	0.429	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.2	169.2	-58.9	0	0	0	0	108.4	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.19Å; T61-E74 PolarHBondContact N-O 2.81Å; T61-E74 PolarHBondContact O-N 2.88Å
62	L	97.3	Very high	95.3	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.6	176.6	-41.6	179.6	0	0	0	110.7	W28 F43 I50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.19Å; F43-L62 HydrophobicContact CB-CB 4.28Å; F43-L62 HydrophobicContact CB-CD1 4.48Å; F43-L62 HydrophobicContact CD2-CB 4.39Å; I50-L62 HydrophobicContact CD1-CB 3.67Å; I50-L62 HydrophobicContact CD1-CD1 4.25Å; I50-L62 HydrophobicContact CD1-CG 4.06Å; I50-L62 HydrophobicContact CG1-CB 4.44Å; I50-L62 HydrophobicContact CG1-CD1 4.24Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.75Å; Y52-L62 PolarHBondContact OH-N 3.13Å; Y52-L62 VanDerWaalsContact OH-N 3.1Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.15Å
63	T	96.4	Very high	95.4	Very high	62 Å²	62	58 Å²	58	38%	0.38	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166.6	176.7	56.9	0	0	0	0	110.5	T61 V71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-V71 CarbonylContact O-C 3.59Å; T63-V71 WeakPolarHBondContact O-CA 3.39Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 3.16Å
64	A	95.4	Very high	95.4	Very high	32 Å²	32	59.9 Å²	59.9	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.4	174.7	0	0	0	0	0	111.6	F21 F43 T70 V71	F21-A64 HydrophobicContact CE1-CB 4.32Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; F43-A64 HydrophobicContact CD1-CB 3.76Å; F43-A64 HydrophobicContact CE1-CB 3.31Å; F43-A64 HydrophobicContact CZ-CB 4.05Å; A64-T70 CarbonylContact C-O 3.41Å; A64-T70 WeakPolarHBondContact CA-O 3.3Å; A64-V71 HydrophobicContact CB-CG1 4.06Å
65	D	95.1	Very high	95.5	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.2	163.8	175.6	8	0	0	0	108.6	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 3.11Å; D65-S67 PolarHBondContact OD2-OG 2.98Å; D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.99Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	92.5	Very high	95.7	Very high	113 Å²	113	47.3 Å²	47.3	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.5	-179.3	-58.4	-175.5	-173.2	-165.4	0	111.9	T22 P45 S69	T22-K66 HydrophobicContact CG2-CD 4.43Å; P45-K66 WeakPolarHBondContact O-CE 3.47Å; P45-K66 PolarHBondContact O-NZ 3.05Å; K66-S69 PolarHBondContact O-N 3.35Å
67	S	92.1	Very high	95.6	Very high	110 Å²	110	54.3 Å²	54.3	77%	0.769	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-37.9	-177.9	73.1	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 3.11Å; D65-S67 PolarHBondContact OD2-OG 2.98Å
68	S	94.3	Very high	95.7	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.1	176.8	64.6	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.99Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 2.92Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.09Å; S68-T70 PolarHBondContact OG-OG1 3.5Å
69	S	93.8	Very high	95.7	Very high	40 Å²	40	46.2 Å²	46.2	28%	0.28	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.2	-174.4	-62.5	0	0	0	0	112.8	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.3Å; A16-S69 PolarHBondContact N-O 3.29Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.07Å; K66-S69 PolarHBondContact O-N 3.35Å
70	T	95.5	Very high	95.6	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.5	-174	-57.1	0	0	0	0	110.5	C14 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; A64-T70 CarbonylContact C-O 3.41Å; A64-T70 WeakPolarHBondContact CA-O 3.3Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.84Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 2.92Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.09Å; S68-T70 PolarHBondContact OG-OG1 3.5Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.43Å
71	V	95.1	Very high	95.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.6	164.6	-64.1	0	0	0	0	110.4	S13 C14 F21 I26 W28 P45 T63 A64	S13-V71 CarbonylContact C-O 3.58Å; S13-V71 WeakPolarHBondContact CA-O 3.3Å; C14-V71 HydrophobicContact CB-CG2 3.79Å; C14-V71 PolarHBondContact N-O 2.76Å; C14-V71 PolarHBondContact O-N 3.11Å; F21-V71 HydrophobicContact CE2-CG1 3.74Å; F21-V71 HydrophobicContact CZ-CG1 3.52Å; I26-V71 HydrophobicContact CB-CG1 4Å; I26-V71 HydrophobicContact CB-CG2 4.19Å; I26-V71 HydrophobicContact CG1-CG1 3.94Å; I26-V71 HydrophobicContact CG2-CG1 4.31Å; I26-V71 HydrophobicContact CG2-CG2 3.58Å; W28-V71 HydrophobicContact CZ2-CG2 3.93Å; P45-V71 HydrophobicContact CG-CG1 4.48Å; T63-V71 CarbonylContact O-C 3.59Å; T63-V71 WeakPolarHBondContact O-CA 3.39Å; A64-V71 HydrophobicContact CB-CG1 4.06Å
72	Y	97.1	Very high	95.2	Very high	57 Å²	57	51.2 Å²	51.2	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.8	176	-55.5	-89.6	0	0	0	110.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.19Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 3.16Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.43Å
73	M	97.6	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	166.1	176.2	179.6	67.8	0	0	108.4	K11 L12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.45Å; L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 HydrophobicContact CG-CE 4.46Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.23Å; W28-M73 HydrophobicContact CB-SD 4.01Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.26Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.24Å; W28-M73 HydrophobicContact CE3-CE 3.85Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.33Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 4.11Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.96Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.19Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.15Å; M73-L75 HydrophobicContact CE-CD1 3.68Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 3.89Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.2Å; M73-L75 HydrophobicContact SD-CD1 4.46Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.13Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.02Å; M73-Y86 HydrophobicContact CE-CG 4.17Å
74	E	97.7	Very high	95.1	Very high	83 Å²	83	50 Å²	50	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.2	168.4	-173.2	174	177.2	0	0	109.2	V10 A60 T61	V10-E74 CarbonylContact O-C 3.49Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.32Å; A60-E74 CarbonylContact C-O 3.48Å; A60-E74 WeakPolarHBondContact CA-O 3.48Å; T61-E74 PolarHBondContact N-O 2.81Å; T61-E74 PolarHBondContact O-N 2.88Å
75	L	96.9	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.5	172.3	-67	166.1	0	0	0	108.4	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.45Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 3.49Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; A60-L75 HydrophobicContact CB-CD2 3.8Å; M73-L75 HydrophobicContact CE-CD1 3.68Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 3.89Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.2Å; M73-L75 HydrophobicContact SD-CD1 4.46Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.13Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.47Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.47Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å
76	S	96.8	Very high	95.3	Very high	29 Å²	29	48 Å²	48	20%	0.203	26%	0.26	C	S	.	.			trans	-107	160.8	180	64.3	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.05Å; K59-S76 WeakPolarHBondContact CE-O 3.14Å; K59-S76 VanDerWaalsContact CG-O 3.3Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.89Å; K59-S76 PolarHBondContact O-OG 3.31Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å
77	R	95.4	Very high	95.4	Very high	157 Å²	157	44 Å²	44	59%	0.592	24%	0.243	S	C	*	.	S	Bend	trans	53.8	50.5	172.5	-58.9	178.3	-77.2	179.3	-3.4	111.8	S8 D58	S8-R77 PolarHBondContact O-N 2.78Å; D58-R77 PolarHBondContact O-NH2 2.86Å
78	L	95.4	Very high	95.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.21	C	C	.	.			trans	-64.9	139.5	-173.5	-68.9	171.2	0	0	0	112.1	V4 G7 S8 V10 L75 S76 D82 V112	V4-L78 HydrophobicContact CB-CD1 4.17Å; V4-L78 HydrophobicContact CG2-CD1 3.71Å; G7-L78 PolarHBondContact N-O 3.07Å; S8-L78 WeakPolarHBondContact O-CB 3.39Å; S8-L78 WeakPolarHBondContact O-CG 3.46Å; S8-L78 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD1 3.68Å; V10-L78 HydrophobicContact CG1-CD2 4.38Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.71Å; L78-V112 HydrophobicContact CB-CG1 4.22Å; L78-V112 HydrophobicContact CB-CG2 4Å
79	T	95	Very high	95.4	Very high	59 Å²	59	37.6 Å²	37.6	36%	0.362	20%	0.198	S	C	.	.			trans	-122.3	167.1	174.5	66	0	0	0	0	109.5	E81 D82 V112	T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.07Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.23Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.01Å; T79-V112 WeakPolarHBondContact O-CB 2.96Å; T79-V112 VanDerWaalsContact O-CG2 3.31Å; T79-V112 WeakPolarHBondContact O-CG2 3.39Å
80	S	93.1	Very high	95.1	Very high	89 Å²	89	35.7 Å²	35.7	62%	0.622	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-53.1	-31.5	176.6	52.7	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 3.09Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.06Å; S80-S83 VanDerWaalsContact O-OG 3.07Å
81	E	91.9	Very high	94.6	Very high	125 Å²	125	37.9 Å²	37.9	58%	0.584	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66	-16.6	176.4	-62.4	-170.9	-177.9	0	0	114.5	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NH1-O 2.91Å; R32-E81 IonicContact NH1-OE2 2.83Å; T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.07Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	94.4	Very high	93.8	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-82	-8.1	174.1	-58.5	-50.6	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V112	K30-D82 IonicContact NZ-OD1 3.62Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 3.17Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.91Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.71Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.23Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.01Å; S80-D82 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V112 HydrophobicContact CB-CG2 4.15Å
83	S	95.6	Very high	92.2	Very high	39 Å²	39	41.8 Å²	41.8	27%	0.273	23%	0.226	S	C	.	.			trans	-62	111.2	174.4	-59.3	0	0	0	0	110.4	S80 E81 A110 V112	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.06Å; S80-S83 VanDerWaalsContact O-OG 3.07Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-A110 VanDerWaalsContact CA-O 3.3Å; S83-A110 WeakPolarHBondContact CA-O 3.43Å; S83-V112 PolarHBondContact OG-N 2.72Å
84	A	96.5	Very high	90.3	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.033	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	166.6	-170.6	0	0	0	0	0	111.5	K30 Q31 R32 D82 Y86 A110	K30-A84 HydrophobicContact CD-CB 4.1Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; Q31-A84 WeakPolarHBondContact O-CA 3.29Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.01Å; R32-A84 HydrophobicContact CG-CB 4.11Å; D82-A84 PolarHBondContact O-N 3.44Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-A110 PolarHBondContact N-O 3.23Å; A84-A110 PolarHBondContact O-N 2.7Å
85	V	96.9	Very high	88.2	Confident	43 Å²	43	45.7 Å²	45.7	26%	0.261	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129	162.5	-171.1	0	0	0	0	108.4	Q31 F87 L109	Q31-V85 PolarHBondContact N-O 3.29Å; Q31-V85 PolarHBondContact O-N 3.03Å; V85-F87 HydrophobicContact CB-CE2 3.78Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.84Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; V85-L109 HydrophobicContact CG2-CB 4.45Å; V85-L109 HydrophobicContact CG2-CD1 4.08Å
86	Y	96.9	Very high	86	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.5	179.8	-69.3	-88.7	0	0	0	110.1	L12 V29 K30 I40 M73 L75 D82 A84 G107 T108 A110	L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 4.28Å; L12-Y86 HydrophobicContact CD1-CD2 3.79Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.08Å; K30-Y86 HydrophobicContact CB-CD1 4.02Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 HydrophobicContact CG-CD1 4.18Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å; I40-Y86 HydrophobicContact CD1-CD1 3.8Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.02Å; M73-Y86 HydrophobicContact CE-CG 4.17Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.47Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.47Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-G107 CarbonylContact O-C 3.47Å; Y86-G107 WeakPolarHBondContact O-CA 3.25Å; Y86-T108 PolarHBondContact N-O 3.46Å; Y86-T108 PolarHBondContact O-N 2.99Å; Y86-A110 HydrophobicContact CD2-CB 4.03Å; Y86-A110 HydrophobicContact CE2-CB 3.89Å
87	F	95.6	Very high	83.8	Confident	30 Å²	30	61.2 Å²	61.2	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.7	-178	-59.1	-86.8	0	0	0	110.4	W28 V29 Q31 V85 W104 G107	W28-F87 WeakPolarHBondContact CA-O 3.39Å; V29-F87 PolarHBondContact N-O 3.04Å; V29-F87 PolarHBondContact O-N 3.29Å; Q31-F87 HydrophobicContact CB-CD2 4.39Å; Q31-F87 HydrophobicContact CB-CE2 3.79Å; V85-F87 HydrophobicContact CB-CE2 3.78Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.84Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W104 HydrophobicContact CB-CE3 3.72Å; F87-W104 HydrophobicContact CB-CZ3 3.65Å; F87-W104 HydrophobicContact CD1-CE3 4.38Å; F87-W104 HydrophobicContact CG-CE3 4.13Å; F87-W104 HydrophobicContact CG-CZ3 4.1Å; F87-G107 VanDerWaalsContact CD1-CA 3.41Å
88	C	93.9	Very high	81.6	Confident	11 Å²	11	62.6 Å²	62.6	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.7	161.5	59.9	0	0	0	0	109.7	C14 I26 H27 W28 G105	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.88Å; I26-C88 HydrophobicContact CG2-CB 4.19Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å; C88-G105 PolarHBondContact O-N 3.35Å
89	A	91.6	Very high	79.5	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.8	176.3	0	0	0	0	0	112.3	I26 H27 F101 Y103 W104	I26-A89 CarbonylContact C-O 3.59Å; I26-A89 WeakPolarHBondContact CA-O 3.46Å; H27-A89 PolarHBondContact N-O 3.45Å; H27-A89 PolarHBondContact O-N 3.34Å; A89-F101 HydrophobicContact CB-CB 3.85Å; A89-F101 HydrophobicContact CB-CD1 3.38Å; A89-F101 HydrophobicContact CB-CE1 4.11Å; A89-F101 HydrophobicContact CB-CG 3.7Å; A89-Y103 CarbonylContact C-O 3.58Å; A89-Y103 WeakPolarHBondContact CA-O 3.25Å; A89-W104 HydrophobicContact CB-CD2 3.89Å; A89-W104 HydrophobicContact CB-CE3 4.13Å; A89-W104 HydrophobicContact CB-CG 4.32Å; A89-W104 HydrophobicContact CB-CH2 4.44Å; A89-W104 HydrophobicContact CB-CZ2 4.25Å; A89-W104 HydrophobicContact CB-CZ3 4.4Å
90	G	88.9	Confident	77.6	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.01	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.8	-178.4	0	0	0	0	0	113.2	T25 F101 A102 Y103	T25-G90 WeakPolarHBondContact O-CA 3.45Å; G90-F101 CarbonylContact O-C 3.53Å; G90-A102 PolarHBondContact O-N 3.37Å; G90-Y103 PolarHBondContact N-O 3.47Å; G90-Y103 PolarHBondContact O-N 3.07Å
91	H	84.6	Confident	76.2	Confident	54 Å²	54	72.2 Å²	72.2	25%	0.25	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.5	163.4	79.7	-85.4	0	0	0	110.9	Y24 T25 H27	Y24-H91 CarbonylContact C-O 3.48Å; Y24-H91 VanDerWaalsContact CA-O 3.3Å; Y24-H91 WeakPolarHBondContact CA-O 3Å; Y24-H91 WeakPolarHBondContact CD1-O 3.43Å; T25-H91 WeakPolarHBondContact CB-CE1 3.38Å; T25-H91 PolarHBondContact N-O 3.05Å; T25-H91 PolarHBondContact O-N 3.4Å; H27-H91 AromaticContact CD2-ND1 3.59Å; H27-H91 AromaticContact CE1-CE1 3.98Å; H27-H91 AromaticContact NE2-CE1 3.05Å; H27-H91 PolarHBondContact NE2-CE1 2.83Å; H27-H91 AromaticContact NE2-ND1 2.98Å; H27-H91 PolarHBondContact NE2-ND1 2.95Å
92	E	78.8	Confident	75	Confident	97 Å²	97	69 Å²	69	45%	0.453	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128	-177.6	-173.4	177.8	-165.6	0	0	111.3	Y24 G94	Y24-E92 HydrophobicContact CE1-CB 4.16Å; Y24-E92 HydrophobicContact CE2-CB 4.23Å; Y24-E92 HydrophobicContact CE2-CG 4.29Å; E92-G94 PolarHBondContact O-N 2.79Å; E92-G94 VanDerWaalsContact O-N 3.09Å
93	G	63.8	Low	74.1	Confident	43 Å²	43	74 Å²	74	44%	0.443	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	13.4	-170	0	0	0	0	0	116.7	E23	E23-G93 PolarHBondContact O-N 2.8Å
94	G	57.4	Low	73.7	Confident	58 Å²	58	77.6 Å²	77.6	60%	0.598	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-13.9	-171.7	0	0	0	0	0	116.5	E92	E92-G94 PolarHBondContact O-N 2.79Å; E92-G94 VanDerWaalsContact O-N 3.09Å
95	N	53.2	Low	73.3	Confident	107 Å²	107	78.7 Å²	78.7	57%	0.572	41%	0.406	S	S	*	.			trans	-109.3	116.5	179.5	-95.9	-45.5	0	0	0	110.4	D97	N95-D97 PolarHBondContact O-N 2.94Å
96	Y	51.5	Low	73	Confident	227 Å²	227	86.2 Å²	86.2	89%	0.89	44%	0.438	S	S	*	.			trans	-71.7	-2.8	168.8	-65	-79.4	0	0	0	112.5
97	D	50.4	Low	72.8	Confident	128 Å²	128	87.5 Å²	87.5	68%	0.684	45%	0.452	S	S	*	.	S	Bend	trans	-74.9	125.9	167.8	-89.8	-30.5	0	0	0	109.9	N95 A99	N95-D97 PolarHBondContact O-N 2.94Å; D97-A99 PolarHBondContact O-N 3.1Å
98	F	48.5	Very low	72.8	Confident	185 Å²	185	88.1 Å²	88.1	81%	0.811	46%	0.458	S	S	*	.			trans	-58.7	60	-173.4	-70.9	-102.4	0	0	0	114.4	W100	F98-W100 VanDerWaalsContact C-N 3.31Å; F98-W100 PolarHBondContact O-N 2.85Å
99	A	51.7	Low	72.9	Confident	69 Å²	69	91.4 Å²	91.4	57%	0.57	48%	0.475	S	S	*	.			trans	-77.1	87.7	167.1	0	0	0	0	0	108.3	D97 F101	D97-A99 PolarHBondContact O-N 3.1Å; A99-F101 PolarHBondContact O-N 3.1Å
100	W	54.9	Low	73	Confident	220 Å²	220	91.5 Å²	91.5	83%	0.833	48%	0.475	S	S	*	.			trans	-44.4	127.3	171.7	-67	18.5	0	0	0	109.8	F98 A102	F98-W100 VanDerWaalsContact C-N 3.31Å; F98-W100 PolarHBondContact O-N 2.85Å; W100-A102 VanDerWaalsContact C-N 3.34Å; W100-A102 WeakPolarHBondContact O-CA 3.49Å; W100-A102 PolarHBondContact O-N 3.49Å
101	F	62.3	Low	73.3	Confident	66 Å²	66	93.9 Å²	93.9	29%	0.289	49%	0.49	S	S	.	.			trans	11.8	73.4	165.6	-65.4	-52.6	0	0	0	114.7	H27 A89 G90 A99 Y103 W104	H27-F101 HydrophobicContact CB-CD1 4.38Å; H27-F101 HydrophobicContact CB-CE1 3.58Å; H27-F101 HydrophobicContact CB-CZ 4.24Å; H27-F101 AromaticContact CD2-CE1 3.57Å; H27-F101 AromaticContact CE1-CE1 3.94Å; H27-F101 AromaticContact CG-CE1 3.35Å; H27-F101 AromaticContact ND1-CE1 3.59Å; H27-F101 AromaticContact ND1-CZ 3.93Å; H27-F101 AromaticContact NE2-CE1 3.94Å; A89-F101 HydrophobicContact CB-CB 3.85Å; A89-F101 HydrophobicContact CB-CD1 3.38Å; A89-F101 HydrophobicContact CB-CE1 4.11Å; A89-F101 HydrophobicContact CB-CG 3.7Å; G90-F101 CarbonylContact O-C 3.53Å; A99-F101 PolarHBondContact O-N 3.1Å; F101-Y103 PolarHBondContact O-N 2.84Å; F101-Y103 VanDerWaalsContact O-N 3.08Å; F101-W104 HydrophobicContact CB-CZ2 3.97Å; F101-W104 HydrophobicContact CD2-CH2 4.34Å; F101-W104 AromaticContact CD2-CZ2 3.49Å; F101-W104 HydrophobicContact CD2-CZ2 3.49Å; F101-W104 VanDerWaalsContact CD2-CZ2 3.49Å; F101-W104 HydrophobicContact CE2-CZ2 4.18Å; F101-W104 AromaticContact CG-CZ2 3.85Å; F101-W104 HydrophobicContact CG-CZ2 3.85Å; F101-W104 PolarHBondContact O-NE1 2.61Å
102	A	67.1	Low	73.7	Confident	57 Å²	57	91.8 Å²	91.8	47%	0.471	48%	0.481	S	S	.	.	S	Bend	trans	-61.4	-25.4	-168.4	0	0	0	0	0	112.4	G90 W100	G90-A102 PolarHBondContact O-N 3.37Å; W100-A102 VanDerWaalsContact C-N 3.34Å; W100-A102 WeakPolarHBondContact O-CA 3.49Å; W100-A102 PolarHBondContact O-N 3.49Å
103	Y	76.8	Confident	74.1	Confident	113 Å²	113	92.5 Å²	92.5	44%	0.443	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.2	179.5	-58	-78	0	0	0	110.2	Y19 Y24 A89 G90 F101	Y19-Y103 HydrophobicContact CD1-CD2 4.04Å; Y19-Y103 HydrophobicContact CD1-CE2 4.19Å; Y19-Y103 HydrophobicContact CD1-CG 4.37Å; Y19-Y103 HydrophobicContact CE1-CD2 4.1Å; Y19-Y103 HydrophobicContact CE1-CG 4.18Å; Y24-Y103 AromaticContact CE1-CD2 3.97Å; Y24-Y103 HydrophobicContact CE1-CD2 3.97Å; Y24-Y103 AromaticContact CE1-CE2 3.86Å; Y24-Y103 HydrophobicContact CE1-CE2 3.86Å; A89-Y103 CarbonylContact C-O 3.58Å; A89-Y103 WeakPolarHBondContact CA-O 3.25Å; G90-Y103 PolarHBondContact N-O 3.47Å; G90-Y103 PolarHBondContact O-N 3.07Å; F101-Y103 PolarHBondContact O-N 2.84Å; F101-Y103 VanDerWaalsContact O-N 3.08Å
104	W	87.3	Confident	74.6	Confident	113 Å²	113	95 Å²	95	43%	0.428	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.1	171	-75.8	78.1	0	0	0	110.3	V29 L37 F87 A89 F101	V29-W104 HydrophobicContact CB-CH2 4.29Å; V29-W104 HydrophobicContact CB-CZ3 4.18Å; V29-W104 HydrophobicContact CG1-CH2 4.3Å; V29-W104 HydrophobicContact CG1-CZ3 4.44Å; V29-W104 HydrophobicContact CG2-CH2 4Å; V29-W104 HydrophobicContact CG2-CZ3 4.23Å; L37-W104 HydrophobicContact CD1-CH2 3.93Å; F87-W104 HydrophobicContact CB-CE3 3.72Å; F87-W104 HydrophobicContact CB-CZ3 3.65Å; F87-W104 HydrophobicContact CD1-CE3 4.38Å; F87-W104 HydrophobicContact CG-CE3 4.13Å; F87-W104 HydrophobicContact CG-CZ3 4.1Å; A89-W104 HydrophobicContact CB-CD2 3.89Å; A89-W104 HydrophobicContact CB-CE3 4.13Å; A89-W104 HydrophobicContact CB-CG 4.32Å; A89-W104 HydrophobicContact CB-CH2 4.44Å; A89-W104 HydrophobicContact CB-CZ2 4.25Å; A89-W104 HydrophobicContact CB-CZ3 4.4Å; F101-W104 HydrophobicContact CB-CZ2 3.97Å; F101-W104 HydrophobicContact CD2-CH2 4.34Å; F101-W104 AromaticContact CD2-CZ2 3.49Å; F101-W104 HydrophobicContact CD2-CZ2 3.49Å; F101-W104 VanDerWaalsContact CD2-CZ2 3.49Å; F101-W104 HydrophobicContact CE2-CZ2 4.18Å; F101-W104 AromaticContact CG-CZ2 3.85Å; F101-W104 HydrophobicContact CG-CZ2 3.85Å; F101-W104 PolarHBondContact O-NE1 2.61Å
105	G	88.1	Confident	75.5	Confident	28 Å²	28	96.9 Å²	96.9	29%	0.289	49%	0.494	S	S	.	.			trans	-70.2	160.4	165.6	0	0	0	0	0	111.4	C88 G107	C88-G105 PolarHBondContact O-N 3.35Å; G105-G107 PolarHBondContact O-N 2.93Å; G105-G107 VanDerWaalsContact O-N 3.11Å
106	Q	90.7	Very high	76.8	Confident	200 Å²	200	96.4 Å²	96.4	94%	0.935	49%	0.49	S	S	*	.			trans	-62.9	-18.3	178.9	-67.7	-176.5	-27.3	0	0	113.9
107	G	92.6	Very high	78.3	Confident	29 Å²	29	88.7 Å²	88.7	30%	0.299	47%	0.466	S	S	.	.			trans	84.3	151	-177.9	0	0	0	0	0	113.2	Y86 F87 G105	Y86-G107 CarbonylContact O-C 3.47Å; Y86-G107 WeakPolarHBondContact O-CA 3.25Å; F87-G107 VanDerWaalsContact CD1-CA 3.41Å; G105-G107 PolarHBondContact O-N 2.93Å; G105-G107 VanDerWaalsContact O-N 3.11Å
108	T	95.2	Very high	80	Confident	43 Å²	43	86.3 Å²	86.3	26%	0.264	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.8	177.9	-60.6	0	0	0	0	109.2	L12 Y86 A110	L12-T108 HydrophobicContact CD2-CG2 4.02Å; Y86-T108 PolarHBondContact N-O 3.46Å; Y86-T108 PolarHBondContact O-N 2.99Å; T108-A110 PolarHBondContact O-N 3.12Å
109	L	95.4	Very high	82.1	Confident	81 Å²	81	79.7 Å²	79.7	42%	0.424	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.3	169.8	176.7	64.9	0	0	0	109.5	A1 E2 V85	A1-L109 CarbonylContact C-O 3.54Å; A1-L109 WeakPolarHBondContact CA-O 3.29Å; A1-L109 HydrophobicContact CB-CB 3.97Å; A1-L109 HydrophobicContact CB-CD2 4.34Å; A1-L109 HydrophobicContact CB-CG 4.39Å; A1-L109 WeakPolarHBondContact CB-O 3.43Å; E2-L109 PolarHBondContact N-O 3.28Å; V85-L109 HydrophobicContact CG2-CB 4.45Å; V85-L109 HydrophobicContact CG2-CD1 4.08Å
110	A	94.4	Very high	84.3	Confident	3 Å²	3	80.4 Å²	80.4	3%	0.025	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.1	165.5	0	0	0	0	0	109	E2 S83 A84 Y86 T108	E2-A110 CarbonylContact O-C 3.56Å; E2-A110 WeakPolarHBondContact O-CA 3.29Å; S83-A110 VanDerWaalsContact CA-O 3.3Å; S83-A110 WeakPolarHBondContact CA-O 3.43Å; A84-A110 PolarHBondContact N-O 3.23Å; A84-A110 PolarHBondContact O-N 2.7Å; Y86-A110 HydrophobicContact CD2-CB 4.03Å; Y86-A110 HydrophobicContact CE2-CB 3.89Å; T108-A110 PolarHBondContact O-N 3.12Å
111	T	94.2	Very high	86.5	Confident	50 Å²	50	69.7 Å²	69.7	31%	0.307	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.7	-178.2	-57.3	0	0	0	0	109.4	E2 L3 V4	E2-T111 PolarHBondContact O-N 3.39Å; L3-T111 HydrophobicContact CD1-CG2 4.07Å; V4-T111 VanDerWaalsContact CG2-O 3.26Å; V4-T111 WeakPolarHBondContact CG2-O 3.34Å; V4-T111 PolarHBondContact N-O 2.82Å
112	V	93.3	Very high	88.6	Confident	11 Å²	11	70 Å²	70	7%	0.067	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.1	179.4	-169.1	0	0	0	0	108.7	V4 P6 L78 T79 D82 S83	V4-V112 HydrophobicContact CG2-CB 4.38Å; V4-V112 HydrophobicContact CG2-CG2 3.8Å; V4-V112 WeakPolarHBondContact O-CA 3.11Å; P6-V112 HydrophobicContact CB-CG1 4.33Å; P6-V112 HydrophobicContact CG-CG1 4.06Å; L78-V112 HydrophobicContact CB-CG1 4.22Å; L78-V112 HydrophobicContact CB-CG2 4Å; T79-V112 WeakPolarHBondContact O-CB 2.96Å; T79-V112 VanDerWaalsContact O-CG2 3.31Å; T79-V112 WeakPolarHBondContact O-CG2 3.39Å; D82-V112 HydrophobicContact CB-CG2 4.15Å; S83-V112 PolarHBondContact OG-N 2.72Å
113	S	87.8	Confident	90.5	Very high	112 Å²	112	71.2 Å²	71.2	78%	0.783	39%	0.388	S	S	*	.			trans	-142.6	0	-178.5	69.6	0	0	0	0	112.9	L3 V4	L3-S113 WeakPolarHBondContact CD1-OG 3.31Å; V4-S113 PolarHBondContact O-N 2.63Å; V4-S113 VanDerWaalsContact O-N 3.15Å

Retrieved 113 of 113 residues in 23.8 ms (Link to these results)

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