X5J5P9_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5P9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5P9_MOUSE|X5J5P9
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEIDPSDSYTYYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARGQLGLRGGVDYWGQGTTLTVSS
					

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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	A	77.8	Confident	93.5	Very high	114 Å²	114	75.5 Å²	75.5	94%	0.942	46%	0.457	S	S	*	.				0	141.1	0	0	0	0	0	0	108	T107	A1-T107 CarbonylContact C-O 3.53Å; A1-T107 WeakPolarHBondContact CA-O 3.4Å
2	E	87.1	Confident	93.8	Very high	74 Å²	74	70.1 Å²	70.1	35%	0.346	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.3	-175.9	-163.6	175.2	159.3	0	0	110	V4 V10 T107 L108 T109	E2-V4 HydrophobicContact CG-CG1 3.94Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E2-T107 PolarHBondContact N-O 3.46Å; E2-L108 HydrophobicContact CB-CD1 3.99Å; E2-L108 HydrophobicContact CG-CD1 4.4Å; E2-L108 WeakPolarHBondContact O-CA 3.27Å; E2-T109 PolarHBondContact O-N 3.47Å
3	L	93.8	Very high	94.1	Very high	126 Å²	126	70.8 Å²	70.8	66%	0.66	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.8	178	-179.9	66	0	0	0	108.7	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.24Å; L3-T109 HydrophobicContact CD1-CG2 3.66Å; L3-S111 WeakPolarHBondContact CD1-OG 3.4Å
4	V	95.5	Very high	94.3	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.115	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.2	-175.5	-59.8	0	0	0	0	111.5	E2 A8 L78 L108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 3.94Å; V4-A8 HydrophobicContact CB-CB 4.3Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; V4-L108 HydrophobicContact CG1-CD1 4.31Å; V4-L108 HydrophobicContact CG2-CD1 3.86Å; V4-T109 PolarHBondContact N-O 2.96Å; V4-V110 HydrophobicContact CG2-CB 4.4Å; V4-V110 HydrophobicContact CG2-CG1 4.4Å; V4-V110 HydrophobicContact CG2-CG2 3.83Å; V4-V110 VanDerWaalsContact O-CA 3.31Å; V4-V110 WeakPolarHBondContact O-CA 3.45Å; V4-S111 PolarHBondContact O-N 2.63Å
5	K	95.6	Very high	94.4	Very high	148 Å²	148	72.7 Å²	72.7	64%	0.643	43%	0.427	S	S	*	.			trans	-80.6	151.9	175.9	-66.7	-175.4	177.5	-176.3	0	111	A8	K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.28Å
6	P	96.8	Very high	94.4	Very high	72 Å²	72	68.9 Å²	68.9	47%	0.468	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.7	169.3	-25	33.9	0	0	0	112.1	A8 L78 V110	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.22Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; P6-V110 HydrophobicContact CB-CG1 4.44Å; P6-V110 HydrophobicContact CG-CG1 4.17Å
7	G	95.2	Very high	94.3	Very high	54 Å²	54	71 Å²	71	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-14.8	-176.5	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 3.24Å
8	A	96	Very high	94.1	Very high	35 Å²	35	72.2 Å²	72.2	29%	0.289	46%	0.455	S	S	.	.			trans	-66.8	165.9	176.2	0	0	0	0	0	112.2	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.3Å; K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.28Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.22Å; A8-S77 PolarHBondContact O-N 3Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.35Å; A8-L78 PolarHBondContact O-N 3.07Å
9	S	96.6	Very high	93.9	Very high	67 Å²	67	71.4 Å²	71.4	47%	0.469	44%	0.443	S	S	.	.			trans	-119.9	143.9	169.7	-57.3	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 WeakPolarHBondContact CB-O 3.26Å; S9-S76 WeakPolarHBondContact OG-CA 3.35Å
10	V	96.7	Very high	93.8	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.024	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.3	179.4	63.5	0	0	0	0	110.2	E2 L12 Q74 L75 L78 L108	E2-V10 WeakPolarHBondContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; V10-L12 HydrophobicContact CG2-CD2 3.9Å; V10-L12 HydrophobicContact CG2-CG 4.42Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; V10-L75 HydrophobicContact CG1-CB 3.91Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.47Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 4.21Å; V10-L78 HydrophobicContact CG1-CD1 3.8Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.19Å; V10-L108 HydrophobicContact CG1-CD2 3.86Å; V10-L108 HydrophobicContact CG2-CD1 4.41Å
11	K	97.3	Very high	93.8	Very high	118 Å²	118	69.2 Å²	69.2	51%	0.513	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	108.2	172.3	-172.8	177.4	-179	-179.7	0	109.8	Y72	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12	L	97.4	Very high	94.6	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.052	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.9	173.8	-56.9	-178.9	0	0	0	110	V10 W28 Y72 M73 Y86 T106	V10-L12 HydrophobicContact CG2-CD2 3.9Å; V10-L12 HydrophobicContact CG2-CG 4.42Å; L12-W28 HydrophobicContact CB-CH2 4.09Å; L12-W28 HydrophobicContact CB-CZ3 3.98Å; L12-Y72 CarbonylContact O-C 3.38Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 3.28Å; L12-M73 PolarHBondContact O-N 2.84Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.14Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; L12-T106 HydrophobicContact CD2-CG2 4.25Å
13	S	97.2	Very high	94.9	Very high	79 Å²	79	66.7 Å²	66.7	55%	0.552	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.1	179.6	65.6	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	96.9	Very high	94.8	Very high	14 Å²	14	64.2 Å²	64.2	10%	0.095	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	106.6	175	-179.9	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.5Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 3.09Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.47Å
15	K	96.4	Very high	94.7	Very high	156 Å²	156	65 Å²	65	68%	0.678	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.1	179.7	-173.2	174.2	-176.9	178	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	94.1	Very high	94.7	Very high	13 Å²	13	58 Å²	58	11%	0.107	36%	0.363	C	S	.	.			trans	-76.2	147.5	174.3	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; A16-F21 HydrophobicContact CB-CB 4.25Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 3.92Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 2.94Å
17	S	92.6	Very high	94.7	Very high	104 Å²	104	54.7 Å²	54.7	73%	0.727	34%	0.341	S	S	*	.			trans	-150.2	149.4	174.5	61.8	0	0	0	0	110.3	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.33Å; S17-Y19 PolarHBondContact O-N 2.93Å
18	G	91.1	Very high	94.8	Very high	92 Å²	92	52.3 Å²	52.3	95%	0.948	32%	0.315	S	S	*	.	S	Bend	trans	79	9.6	176	0	0	0	0	0	116
19	Y	89.5	Confident	94.9	Very high	58 Å²	58	51 Å²	51	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	-156.6	166	174.4	67.3	-83.1	0	0	0	111.6	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.33Å; S17-Y19 PolarHBondContact O-N 2.93Å; Y19-F21 HydrophobicContact CE2-CD2 4.5Å; Y19-F21 PolarHBondContact O-N 2.92Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.6Å; Y19-Y24 HydrophobicContact CD2-CD2 3.6Å; Y19-Y24 HydrophobicContact CD2-CE2 4.12Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y19-R90 HydrophobicContact CE2-CG 4.17Å
20	T	93.6	Very high	94.9	Very high	90 Å²	90	48 Å²	48	55%	0.552	28%	0.282	S	S	*	.			trans	-69.5	106.2	171.6	-56.6	0	0	0	0	109.6	T22 S23	T20-T22 PolarHBondContact O-N 3.33Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CB-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.99Å
21	F	93.8	Very high	94.9	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.031	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.5	-172.6	179.4	-129	0	0	0	113.8	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.25Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 3.92Å; A16-F21 HydrophobicContact CB-CG 4.05Å; Y19-F21 HydrophobicContact CE2-CD2 4.5Å; Y19-F21 PolarHBondContact O-N 2.92Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.92Å; F21-M26 HydrophobicContact CE2-CE 3.99Å; F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CB 4.46Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.05Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; F21-P45 WeakPolarHBondContact O-CG 3.31Å; F21-V64 HydrophobicContact CE1-CB 4.28Å; F21-V64 HydrophobicContact CE1-CG1 4.26Å; F21-V64 HydrophobicContact CZ-CG1 4.04Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.46Å; F21-A71 HydrophobicContact CZ-CB 4.03Å
22	T	94.4	Very high	94.8	Very high	57 Å²	57	48 Å²	48	35%	0.35	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-79.4	0.3	-179.3	59.3	0	0	0	0	114.8	T20 P45 K66	T20-T22 PolarHBondContact O-N 3.33Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T22-P45 HydrophobicContact CG2-CB 4.5Å; T22-K66 HydrophobicContact CG2-CD 4.44Å
23	S	92.1	Very high	94.5	Very high	77 Å²	77	53.2 Å²	53.2	54%	0.538	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-91.4	-6.6	-179.9	-61.1	0	0	0	0	113.9	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.99Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.92Å
24	Y	91.6	Very high	94.2	Very high	74 Å²	74	53.9 Å²	53.9	29%	0.29	34%	0.335	S	S	.	.	S	Bend	trans	-140.8	153.5	-174.9	-64.9	-86.9	0	0	0	111.1	Y19 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.6Å; Y19-Y24 HydrophobicContact CD2-CD2 3.6Å; Y19-Y24 HydrophobicContact CD2-CE2 4.12Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; Y24-P45 WeakPolarHBondContact O-CG 3.39Å; Y24-R90 HydrophobicContact CD1-CG 4.19Å; Y24-R90 HydrophobicContact CD2-CG 4.4Å; Y24-R90 HydrophobicContact CG-CG 3.81Å
25	W	94.3	Very high	94	Very high	35 Å²	35	57.7 Å²	57.7	13%	0.133	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.8	173.3	-69.3	61.6	0	0	0	109.8	E42 D44 Y49 G91 L93	W25-E42 HydrophobicContact CE3-CB 3.94Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.75Å; W25-D44 HydrophobicContact CD2-CB 3.88Å; W25-D44 HydrophobicContact CE3-CB 3.99Å; W25-D44 HydrophobicContact CH2-CB 3.84Å; W25-D44 HydrophobicContact CZ2-CB 3.65Å; W25-D44 WeakPolarHBondContact CZ2-OD2 3.39Å; W25-D44 HydrophobicContact CZ3-CB 3.99Å; W25-D44 PolarHBondContact NE1-OD2 2.84Å; W25-Y49 AromaticContact CH2-CD1 3.57Å; W25-Y49 HydrophobicContact CH2-CD1 3.57Å; W25-Y49 HydrophobicContact CH2-CE1 4.27Å; W25-Y49 HydrophobicContact CH2-CG 4.44Å; W25-Y49 HydrophobicContact CZ3-CD1 4Å; W25-G91 PolarHBondContact N-O 2.78Å; W25-G91 PolarHBondContact O-N 2.8Å; W25-G91 VanDerWaalsContact O-N 3.14Å; W25-L93 HydrophobicContact CD2-CB 4.48Å; W25-L93 HydrophobicContact CD2-CD1 4.31Å; W25-L93 HydrophobicContact CE3-CD1 4.31Å; W25-L93 HydrophobicContact CH2-CD1 3.55Å; W25-L93 HydrophobicContact CZ2-CB 4.29Å; W25-L93 HydrophobicContact CZ2-CD1 3.6Å; W25-L93 HydrophobicContact CZ2-CG 4.41Å; W25-L93 HydrophobicContact CZ3-CD1 3.94Å
26	M	96.1	Very high	93.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.1	170.9	-173.6	62.9	65.6	0	0	109.5	F21 E42 I43 A71 C88 A89	F21-M26 HydrophobicContact CE2-CE 3.99Å; M26-E42 CarbonylContact O-C 3.56Å; M26-E42 VanDerWaalsContact O-CA 3.24Å; M26-E42 WeakPolarHBondContact O-CA 3.31Å; M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 3.24Å; M26-I43 PolarHBondContact O-N 3.05Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.58Å; M26-C88 HydrophobicContact SD-CB 3.74Å; M26-A89 VanDerWaalsContact SD-O 3.38Å
27	H	96.3	Very high	93.9	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.5	176.5	-52	-93.4	0	0	0	110.6	W39 G41 E42 C88 A89 G91 Q92	H27-W39 AromaticContact ND1-NE1 3.51Å; H27-G41 WeakPolarHBondContact CA-O 3.46Å; H27-E42 IonicContact CE1-OE2 3.46Å; H27-E42 PolarHBondContact CE1-OE2 3.14Å; H27-E42 WeakPolarHBondContact ND1-CB 3.39Å; H27-E42 IonicContact ND1-OE2 2.68Å; H27-E42 PolarHBondContact ND1-OE2 2.93Å; H27-E42 IonicContact NE2-OE2 3.33Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.26Å; H27-C88 WeakPolarHBondContact O-CA 3.48Å; H27-A89 HydrophobicContact CB-CB 4.18Å; H27-A89 PolarHBondContact CD2-O 3.35Å; H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 2.85Å; H27-G91 WeakPolarHBondContact NE2-CA 3.16Å; H27-Q92 PolarHBondContact CE1-O 3.23Å; H27-Q92 PolarHBondContact NE2-O 2.79Å
28	W	97.4	Very high	94	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.019	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.5	172.9	-70.7	89.9	0	0	0	110.3	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.09Å; L12-W28 HydrophobicContact CB-CZ3 3.98Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.22Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.23Å; W28-I40 PolarHBondContact O-N 3.02Å; W28-G41 PolarHBondContact N-O 2.67Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.18Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.6Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	96.8	Very high	94.2	Very high	8 Å²	8	51.6 Å²	51.6	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.4	-172.7	-176.1	0	0	0	0	109.6	L37 E38 Y86 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.44Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.08Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 2.9Å; V29-W102 HydrophobicContact CB-CH2 4.16Å; V29-W102 HydrophobicContact CB-CZ3 3.85Å; V29-W102 HydrophobicContact CG1-CH2 4.12Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.78Å; V29-W102 HydrophobicContact CG2-CZ3 3.85Å
30	K	96.5	Very high	94.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.8	175.7	-179.2	179.3	-179.7	177.1	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; K30-E81 PolarHBondContact NZ-O 2.03Å; K30-D82 IonicContact NZ-OD1 2.85Å; K30-D82 PolarHBondContact NZ-OD1 2.96Å; K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.51Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 2.96Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å
31	Q	97	Very high	94.7	Very high	66 Å²	66	44.6 Å²	44.6	31%	0.308	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.3	170.2	-165.9	-179.6	26.5	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.05Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; Q31-V85 PolarHBondContact N-O 2.95Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.82Å
32	R	95	Very high	94.8	Very high	57 Å²	57	44.3 Å²	44.3	22%	0.215	26%	0.263	C	S	.	.			trans	-85.6	150.5	171.4	-70.5	174.5	176.2	148.1	-9	110.4	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.9Å; R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.82Å; R32-E38 IonicContact NH1-OE1 3.89Å; R32-E38 PolarHBondContact NH1-OE1 2.82Å; R32-E81 PolarHBondContact NE-O 2.78Å; R32-E81 PolarHBondContact NH2-O 2.89Å; R32-A84 HydrophobicContact CG-CB 4.15Å
33	P	91	Very high	94.9	Very high	119 Å²	119	41.7 Å²	41.7	77%	0.773	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.1	173.5	-25.4	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.81Å
34	G	92.1	Very high	95.1	Very high	93 Å²	93	39 Å²	39	96%	0.959	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	4.8	-179.7	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.9Å
35	Q	92.9	Very high	95.4	Very high	95 Å²	95	35.5 Å²	35.5	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	-113.1	162.3	176.3	-56.5	-170.9	8.9	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.82Å; P33-Q35 PolarHBondContact O-N 2.81Å
36	G	93	Very high	95.4	Very high	53 Å²	53	36.4 Å²	36.4	55%	0.546	22%	0.224	S	C	.	.			trans	-68.6	176.2	173.7	0	0	0	0	0	113.1
37	L	94.3	Very high	95.4	Very high	96 Å²	96	41 Å²	41	50%	0.503	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.2	173.4	-64.4	176	0	0	0	110.3	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W102 HydrophobicContact CD1-CH2 3.82Å; L37-W102 HydrophobicContact CD1-CZ2 4.34Å; L37-W102 HydrophobicContact CD1-CZ3 4.38Å
38	E	95.6	Very high	95.4	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.7	174.4	-66.7	-171.4	-129.5	0	0	109.7	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.44Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.08Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact NH1-OE1 3.89Å; R32-E38 PolarHBondContact NH1-OE1 2.82Å; E38-I40 PolarHBondContact O-N 3.19Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.36Å
39	W	95.3	Very high	95.3	Very high	53 Å²	53	50 Å²	50	20%	0.201	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.9	177.2	-177.1	80.2	0	0	0	110.9	H27 G41 E42 Y51 N53	H27-W39 AromaticContact ND1-NE1 3.51Å; W39-G41 VanDerWaalsContact CH2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.81Å; W39-E42 HydrophobicContact CH2-CG 4.35Å; W39-E42 HydrophobicContact CZ2-CB 3.84Å; W39-E42 HydrophobicContact CZ2-CG 3.72Å; W39-Y51 AromaticContact CH2-CD1 3.31Å; W39-Y51 HydrophobicContact CH2-CD1 3.31Å; W39-Y51 AromaticContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CG 4.28Å; W39-Y51 HydrophobicContact CZ2-CD1 4.21Å; W39-Y51 AromaticContact CZ3-CD1 3.97Å; W39-Y51 HydrophobicContact CZ3-CD1 3.97Å; W39-Y51 AromaticContact CZ3-CE1 3.95Å; W39-Y51 HydrophobicContact CZ3-CE1 3.95Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.87Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.12Å
40	I	97.1	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-49.5	-176	-58.4	171.3	0	0	0	110.3	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.22Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.23Å; W28-I40 PolarHBondContact O-N 3.02Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.19Å; I40-N53 WeakPolarHBondContact O-CB 3.16Å; I40-N53 PolarHBondContact O-N 2.72Å; I40-F56 HydrophobicContact CB-CB 4.47Å; I40-F56 HydrophobicContact CB-CD1 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.2Å; I40-F56 HydrophobicContact CB-CG 4.12Å; I40-F56 HydrophobicContact CG1-CD1 4.08Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.02Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.63Å; I40-F56 HydrophobicContact CG2-CD1 4Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.7Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.81Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å
41	G	96.3	Very high	95.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	175.1	-170.9	0	0	0	0	0	112.1	H27 W28 W39 Y51	H27-G41 WeakPolarHBondContact CA-O 3.46Å; W28-G41 PolarHBondContact N-O 2.67Å; W39-G41 VanDerWaalsContact CH2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.81Å; G41-Y51 CarbonylContact C-O 3.57Å; G41-Y51 WeakPolarHBondContact CA-O 3.33Å
42	E	96	Very high	95.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.6	174.4	63	-172.2	150.5	0	0	110.7	W25 M26 H27 W39 T50 Y51 G94	W25-E42 HydrophobicContact CE3-CB 3.94Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.75Å; M26-E42 CarbonylContact O-C 3.56Å; M26-E42 VanDerWaalsContact O-CA 3.24Å; M26-E42 WeakPolarHBondContact O-CA 3.31Å; H27-E42 IonicContact CE1-OE2 3.46Å; H27-E42 PolarHBondContact CE1-OE2 3.14Å; H27-E42 WeakPolarHBondContact ND1-CB 3.39Å; H27-E42 IonicContact ND1-OE2 2.68Å; H27-E42 PolarHBondContact ND1-OE2 2.93Å; H27-E42 IonicContact NE2-OE2 3.33Å; W39-E42 HydrophobicContact CH2-CG 4.35Å; W39-E42 HydrophobicContact CZ2-CB 3.84Å; W39-E42 HydrophobicContact CZ2-CG 3.72Å; E42-T50 WeakPolarHBondContact O-CA 3.45Å; E42-Y51 PolarHBondContact N-O 2.94Å; E42-Y51 PolarHBondContact O-N 3.25Å; E42-G94 PolarHBondContact OE1-N 3.22Å; E42-G94 PolarHBondContact OE2-N 2.93Å; E42-G94 VanDerWaalsContact OE2-N 3.11Å
43	I	97.3	Very high	95.3	Very high	1 Å²	1	56 Å²	56	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	174.3	-175.2	159.1	0	0	0	109.5	M26 P45 Y49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 3.24Å; M26-I43 PolarHBondContact O-N 3.05Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; I43-Y49 CarbonylContact C-O 3.59Å; I43-Y49 WeakPolarHBondContact CA-O 3.21Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.62Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.14Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.21Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å
44	D	96.2	Very high	95.5	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.112	31%	0.314	C	S	.	.			trans	-83.7	113.9	169.4	-167.8	-32.7	0	0	0	108.7	W25 S46 D47 S48 Y49	W25-D44 HydrophobicContact CD2-CB 3.88Å; W25-D44 HydrophobicContact CE3-CB 3.99Å; W25-D44 HydrophobicContact CH2-CB 3.84Å; W25-D44 HydrophobicContact CZ2-CB 3.65Å; W25-D44 WeakPolarHBondContact CZ2-OD2 3.39Å; W25-D44 HydrophobicContact CZ3-CB 3.99Å; W25-D44 PolarHBondContact NE1-OD2 2.84Å; D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 WeakPolarHBondContact OD1-CA 3.43Å; D44-S46 WeakPolarHBondContact OD1-CB 3.31Å; D44-S46 PolarHBondContact OD1-N 2.86Å; D44-S46 PolarHBondContact OD1-OG 2.68Å; D44-S46 PolarHBondContact OD2-OG 2.78Å; D44-D47 WeakPolarHBondContact CB-OD1 3.29Å; D44-S48 WeakPolarHBondContact O-CA 3.26Å; D44-S48 PolarHBondContact O-N 3.46Å; D44-Y49 PolarHBondContact N-O 3.47Å
45	P	96.2	Very high	95.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.8	179.2	-16.9	32.6	0	0	0	113.7	F21 T22 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CB 4.46Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.05Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; F21-P45 WeakPolarHBondContact O-CG 3.31Å; T22-P45 HydrophobicContact CG2-CB 4.5Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; Y24-P45 WeakPolarHBondContact O-CG 3.39Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.28Å; P45-K66 WeakPolarHBondContact O-CD 3.48Å; P45-K66 WeakPolarHBondContact O-CE 3.27Å
46	S	95.3	Very high	95.6	Very high	54 Å²	54	55.8 Å²	55.8	38%	0.378	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-43.2	179.9	74.4	0	0	0	0	112.8	D44 K66	D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 WeakPolarHBondContact OD1-CA 3.43Å; D44-S46 WeakPolarHBondContact OD1-CB 3.31Å; D44-S46 PolarHBondContact OD1-N 2.86Å; D44-S46 PolarHBondContact OD1-OG 2.68Å; D44-S46 PolarHBondContact OD2-OG 2.78Å; S46-K66 PolarHBondContact O-NZ 3.5Å
47	D	95.7	Very high	95.6	Very high	101 Å²	101	60 Å²	60	54%	0.54	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	1.2	-176.6	67.5	3.1	0	0	0	113.8	D44 Y49	D44-D47 WeakPolarHBondContact CB-OD1 3.29Å; D47-Y49 PolarHBondContact O-N 3.4Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.38Å; D47-Y49 PolarHBondContact OD1-N 2.9Å
48	S	96.3	Very high	95.5	Very high	58 Å²	58	58.6 Å²	58.6	41%	0.406	30%	0.295	S	S	.	.			trans	64.7	18.7	-177	-50	0	0	0	0	114	D44	D44-S48 WeakPolarHBondContact O-CA 3.26Å; D44-S48 PolarHBondContact O-N 3.46Å
49	Y	96.4	Very high	95.5	Very high	135 Å²	135	59 Å²	59	53%	0.529	30%	0.296	S	S	.	.			trans	-63.6	138.5	173.1	-173.5	-88.3	0	0	0	110.3	W25 I43 D44 D47	W25-Y49 AromaticContact CH2-CD1 3.57Å; W25-Y49 HydrophobicContact CH2-CD1 3.57Å; W25-Y49 HydrophobicContact CH2-CE1 4.27Å; W25-Y49 HydrophobicContact CH2-CG 4.44Å; W25-Y49 HydrophobicContact CZ3-CD1 4Å; I43-Y49 CarbonylContact C-O 3.59Å; I43-Y49 WeakPolarHBondContact CA-O 3.21Å; D44-Y49 PolarHBondContact N-O 3.47Å; D47-Y49 PolarHBondContact O-N 3.4Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.38Å; D47-Y49 PolarHBondContact OD1-N 2.9Å
50	T	96.8	Very high	95.6	Very high	45 Å²	45	56.6 Å²	56.6	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.1	-177.4	51.1	0	0	0	0	111.6	E42 I43 Y52 L62	E42-T50 WeakPolarHBondContact O-CA 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.62Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; T50-L62 HydrophobicContact CG2-CB 4.01Å
51	Y	95.8	Very high	95.7	Very high	121 Å²	121	59.8 Å²	59.8	48%	0.475	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.4	169.7	-173.6	-111.9	0	0	0	109.2	W39 G41 E42	W39-Y51 AromaticContact CH2-CD1 3.31Å; W39-Y51 HydrophobicContact CH2-CD1 3.31Å; W39-Y51 AromaticContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CG 4.28Å; W39-Y51 HydrophobicContact CZ2-CD1 4.21Å; W39-Y51 AromaticContact CZ3-CD1 3.97Å; W39-Y51 HydrophobicContact CZ3-CD1 3.97Å; W39-Y51 AromaticContact CZ3-CE1 3.95Å; W39-Y51 HydrophobicContact CZ3-CE1 3.95Å; G41-Y51 CarbonylContact C-O 3.57Å; G41-Y51 WeakPolarHBondContact CA-O 3.33Å; E42-Y51 PolarHBondContact N-O 2.94Å; E42-Y51 PolarHBondContact O-N 3.25Å
52	Y	96.2	Very high	95.8	Very high	44 Å²	44	60.2 Å²	60.2	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.8	-174.4	-67.1	-89.9	0	0	0	110.7	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.16Å
53	N	95.3	Very high	95.9	Very high	49 Å²	49	63 Å²	63	26%	0.262	33%	0.327	S	S	.	.			trans	-68	134.8	157.8	-177.2	-25.1	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.87Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.12Å; I40-N53 WeakPolarHBondContact O-CB 3.16Å; I40-N53 PolarHBondContact O-N 2.72Å; N53-K55 PolarHBondContact O-N 3.17Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.08Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.88Å; N53-K57 PolarHBondContact O-N 2.97Å
54	Q	94.7	Very high	95.9	Very high	133 Å²	133	64.2 Å²	64.2	62%	0.621	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-54.3	-32.9	-177.8	-63.6	-58.3	-30.2	0	0	112.9	F56 K57	Q54-F56 PolarHBondContact O-N 3.1Å; Q54-K57 PolarHBondContact O-N 3.35Å
55	K	93.3	Very high	96	Very high	159 Å²	159	65.8 Å²	65.8	69%	0.691	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-61	-28.7	177.4	-68.4	-174.8	178.8	-178	0	114	N53	N53-K55 PolarHBondContact O-N 3.17Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.08Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	95.1	Very high	95.9	Very high	12 Å²	12	70.6 Å²	70.6	5%	0.053	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-108	-1.7	-175.1	-62.7	-84.9	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.36Å; I40-F56 HydrophobicContact CB-CB 4.47Å; I40-F56 HydrophobicContact CB-CD1 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.2Å; I40-F56 HydrophobicContact CB-CG 4.12Å; I40-F56 HydrophobicContact CG1-CD1 4.08Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.02Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.63Å; I40-F56 HydrophobicContact CG2-CD1 4Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.7Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.88Å; Q54-F56 PolarHBondContact O-N 3.1Å; F56-G58 PolarHBondContact O-N 2.83Å; F56-K59 WeakPolarHBondContact O-CB 3.18Å; F56-K59 PolarHBondContact O-N 2.86Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 2.97Å
57	K	93.1	Very high	95.9	Very high	141 Å²	141	73.3 Å²	73.3	61%	0.613	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-63	123.3	176.3	-165.9	174.3	-177.3	-179.4	0	109.3	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.97Å; Q54-K57 PolarHBondContact O-N 3.35Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 2.88Å
58	G	92.4	Very high	95.9	Very high	67 Å²	67	70.2 Å²	70.2	69%	0.691	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-16.9	-174.8	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 2.83Å
59	K	95.4	Very high	95.9	Very high	42 Å²	42	69.3 Å²	69.3	18%	0.183	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-42.1	173.9	-174.4	69.3	176	-166.9	0	112.2	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.18Å; F56-K59 PolarHBondContact O-N 2.86Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 2.88Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.06Å; K59-S76 PolarHBondContact NZ-O 3.31Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 3.22Å; K59-S77 PolarHBondContact NZ-O 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD2 3.24Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	97.6	Very high	96	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.2	179.8	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 2.97Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.26Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61	T	98.2	Very high	96.1	Very high	68 Å²	68	61.1 Å²	61.1	42%	0.417	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.5	168.4	-60.5	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-Q74 PolarHBondContact N-O 3.27Å; T61-Q74 PolarHBondContact O-N 3.17Å
62	L	98.4	Very high	96.2	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.6	179.5	-51.8	-175.8	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.02Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.14Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; T50-L62 HydrophobicContact CG2-CB 4.01Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.16Å; L62-Y72 WeakPolarHBondContact CA-O 3.2Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	98.3	Very high	96.3	Very high	60 Å²	60	55.7 Å²	55.7	37%	0.368	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.1	175.9	53.8	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.25Å
64	V	97.9	Very high	96.4	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.17	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145	176.3	-71.9	0	0	0	0	110.7	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.28Å; F21-V64 HydrophobicContact CE1-CG1 4.26Å; F21-V64 HydrophobicContact CZ-CG1 4.04Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.21Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.28Å; V64-T70 WeakPolarHBondContact CA-O 3.14Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
65	D	97.2	Very high	96.5	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.6	163.7	174.2	9.9	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.45Å; D65-S67 PolarHBondContact OD2-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 3.47Å; D65-S68 VanDerWaalsContact OD2-CB 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; D65-S69 WeakPolarHBondContact O-CA 3.43Å; D65-S69 PolarHBondContact O-N 3.24Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 3.2Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	94.9	Very high	96.7	Very high	101 Å²	101	45.4 Å²	45.4	44%	0.439	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.2	-177.9	-54.6	-175.5	-160.8	-174.4	0	111.7	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.44Å; P45-K66 WeakPolarHBondContact O-CD 3.48Å; P45-K66 WeakPolarHBondContact O-CE 3.27Å; S46-K66 PolarHBondContact O-NZ 3.5Å; K66-S69 PolarHBondContact O-N 2.85Å
67	S	94.6	Very high	96.7	Very high	111 Å²	111	48.6 Å²	48.6	78%	0.776	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.2	-177.5	73.2	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.45Å; D65-S67 PolarHBondContact OD2-OG 3.26Å
68	S	96.6	Very high	96.9	Very high	36 Å²	36	42 Å²	42	25%	0.252	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.6	176.8	68.1	0	0	0	0	113.8	D65 T70	D65-S68 PolarHBondContact OD1-N 3.47Å; D65-S68 VanDerWaalsContact OD2-CB 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-OG1 3.41Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 3.2Å
69	S	96.7	Very high	97	Very high	39 Å²	39	41.8 Å²	41.8	27%	0.273	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	43.9	-172.6	-63	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 2.94Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.43Å; D65-S69 PolarHBondContact O-N 3.24Å; K66-S69 PolarHBondContact O-N 2.85Å
70	T	97.9	Very high	97	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	-174.6	-50.6	0	0	0	0	111	C14 K15 V64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.5Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; V64-T70 WeakPolarHBondContact CA-O 3.14Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 3.2Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-OG1 3.41Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 3.2Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
71	A	97.9	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.3	166.1	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 3.09Å; F21-A71 HydrophobicContact CE2-CB 4.46Å; F21-A71 HydrophobicContact CZ-CB 4.03Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.58Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
72	Y	98.3	Very high	96.6	Very high	51 Å²	51	47.1 Å²	47.1	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.1	177.8	-57.7	-86.5	0	0	0	111.1	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.38Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.2Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.25Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
73	M	98.3	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120	167.8	175.9	174.7	68.4	0	0	108.8	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 3.28Å; L12-M73 PolarHBondContact O-N 2.84Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.18Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.6Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.26Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 4.08Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.16Å; M73-L75 HydrophobicContact CG-CD2 4.33Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74	Q	98.1	Very high	96.5	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.5	170	-174.9	173.2	0.3	0	0	109.4	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 3.27Å; T61-Q74 PolarHBondContact O-N 3.17Å
75	L	97.4	Very high	96.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.1	171.9	-63.8	168.4	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86 L108	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 WeakPolarHBondContact CB-O 3.26Å; V10-L75 HydrophobicContact CG1-CB 3.91Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.47Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 2.99Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; M73-L75 HydrophobicContact CE-CD1 4.08Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.16Å; M73-L75 HydrophobicContact CG-CD2 4.33Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.21Å; L75-L108 HydrophobicContact CD1-CD2 4.03Å
76	S	96.3	Very high	96.6	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	26%	0.256	C	S	.	.			trans	-106.6	157.3	-178.6	56.7	0	0	0	0	112.6	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.35Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.06Å; K59-S76 PolarHBondContact NZ-O 3.31Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 3.22Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.39Å
77	S	95.8	Very high	96.7	Very high	79 Å²	79	41.1 Å²	41.1	55%	0.552	24%	0.243	S	C	*	.	S	Bend	trans	48.9	50.4	171.1	-56.4	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 3Å; K59-S77 PolarHBondContact NZ-O 3.29Å
78	L	96.4	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.212	C	C	.	.			trans	-59.8	141.8	-170.8	-71.1	172.1	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L108 V110	V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; G7-L78 PolarHBondContact N-O 3.24Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.35Å; A8-L78 PolarHBondContact O-N 3.07Å; V10-L78 HydrophobicContact CB-CD1 4.21Å; V10-L78 HydrophobicContact CG1-CD1 3.8Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.39Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; L78-L108 HydrophobicContact CD1-CD2 4.14Å; L78-L108 HydrophobicContact CD2-CD2 4.02Å; L78-V110 HydrophobicContact CB-CG1 4.11Å; L78-V110 HydrophobicContact CB-CG2 4.02Å; L78-V110 HydrophobicContact CD1-CG2 4.25Å
79	T	95.8	Very high	96.7	Very high	62 Å²	62	35 Å²	35	38%	0.38	20%	0.2	S	C	.	.			trans	-119.8	169.1	172.9	68.8	0	0	0	0	110.2	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 3.14Å; T79-D82 PolarHBondContact OG1-OD2 3.11Å; T79-V110 VanDerWaalsContact O-CB 3.29Å; T79-V110 WeakPolarHBondContact O-CB 3.02Å; T79-V110 WeakPolarHBondContact O-CG1 3.34Å; T79-V110 WeakPolarHBondContact O-CG2 3.36Å
80	S	94.5	Very high	96.5	Very high	82 Å²	82	34.7 Å²	34.7	57%	0.573	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-54.6	-31.9	175.7	51	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 2.91Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.94Å
81	E	93	Very high	96	Very high	131 Å²	131	34.3 Å²	34.3	61%	0.612	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-67.9	-13.7	176.9	-60	-173.5	-179.9	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.03Å; R32-E81 PolarHBondContact NE-O 2.78Å; R32-E81 PolarHBondContact NH2-O 2.89Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.14Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	95.5	Very high	95.3	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.064	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-83	-6.6	173.4	-63.5	-47.2	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 2.85Å; K30-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD2 3.24Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 3.14Å; T79-D82 PolarHBondContact OG1-OD2 3.11Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.44Å; D82-V110 HydrophobicContact CB-CG2 4.23Å
83	S	97	Very high	94.3	Very high	34 Å²	34	41.6 Å²	41.6	24%	0.238	23%	0.229	C	C	.	.			trans	-64.5	115.8	173.2	-55.2	0	0	0	0	110.6	S80 E81 L108 V110	S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 2.91Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.94Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-L108 CarbonylContact C-O 3.52Å; S83-L108 VanDerWaalsContact CA-O 3.24Å; S83-L108 WeakPolarHBondContact CA-O 3.42Å; S83-V110 PolarHBondContact OG-N 2.85Å
84	A	97.4	Very high	92.9	Very high	6 Å²	6	43.9 Å²	43.9	5%	0.05	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	170.9	-172.5	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L108	K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.51Å; Q31-A84 WeakPolarHBondContact O-CA 3.05Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; R32-A84 HydrophobicContact CG-CB 4.15Å; D82-A84 PolarHBondContact O-N 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L108 PolarHBondContact N-O 2.66Å; A84-L108 PolarHBondContact O-N 3.37Å
85	V	98	Very high	91.4	Very high	35 Å²	35	43.1 Å²	43.1	21%	0.212	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.5	160.5	-169.3	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.95Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.56Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å
86	Y	97.9	Very high	89.7	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.5	177.9	-69.6	-90.1	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G105 T106 L108	L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.14Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 2.96Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.81Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.21Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.44Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G105 CarbonylContact O-C 3.54Å; Y86-G105 WeakPolarHBondContact O-CA 3.48Å; Y86-T106 PolarHBondContact N-O 3.09Å; Y86-T106 PolarHBondContact O-N 2.97Å; Y86-L108 HydrophobicContact CD2-CB 3.87Å; Y86-L108 HydrophobicContact CD2-CD2 4.36Å; Y86-L108 HydrophobicContact CE2-CB 3.75Å; Y86-L108 HydrophobicContact CE2-CD2 3.71Å; Y86-L108 HydrophobicContact CE2-CG 4.35Å
87	Y	97.3	Very high	88	Confident	45 Å²	45	54.2 Å²	54.2	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.5	-178.9	-58.5	-88.2	0	0	0	110.2	W28 V29 Q31 V85 W102 G105	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.82Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.56Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å; Y87-W102 HydrophobicContact CD1-CE3 4.5Å; Y87-W102 HydrophobicContact CG-CE3 4.17Å; Y87-W102 HydrophobicContact CG-CZ3 4.33Å; Y87-G105 VanDerWaalsContact CD1-CA 3.41Å
88	C	96.3	Very high	86.5	Confident	17 Å²	17	52.1 Å²	52.1	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	151.2	159.8	63.1	0	0	0	0	109.5	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.47Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.26Å; H27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G103 PolarHBondContact O-N 2.96Å
89	A	94.8	Very high	85.3	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140	-172.4	0	0	0	0	0	110.4	M26 H27 V99 Y101 W102	M26-A89 VanDerWaalsContact SD-O 3.38Å; H27-A89 HydrophobicContact CB-CB 4.18Å; H27-A89 PolarHBondContact CD2-O 3.35Å; H27-A89 PolarHBondContact N-O 2.86Å; H27-A89 PolarHBondContact O-N 2.85Å; A89-V99 HydrophobicContact CB-CG1 3.35Å; A89-V99 HydrophobicContact CB-CG2 4.45Å; A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 VanDerWaalsContact CA-O 3.31Å; A89-Y101 WeakPolarHBondContact CA-O 3.47Å; A89-W102 HydrophobicContact CB-CD2 3.98Å; A89-W102 HydrophobicContact CB-CE3 4.01Å; A89-W102 HydrophobicContact CB-CH2 4.41Å; A89-W102 HydrophobicContact CB-CZ2 4.38Å; A89-W102 HydrophobicContact CB-CZ3 4.24Å
90	R	92	Very high	84.3	Confident	33 Å²	33	55 Å²	55	13%	0.125	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.5	177.4	-172.2	-165.2	79.2	177.5	11	110.3	Y19 Y24 V99 D100 Y101	Y19-R90 HydrophobicContact CE2-CG 4.17Å; Y24-R90 HydrophobicContact CD1-CG 4.19Å; Y24-R90 HydrophobicContact CD2-CG 4.4Å; Y24-R90 HydrophobicContact CG-CG 3.81Å; R90-V99 VanDerWaalsContact O-CG1 3.29Å; R90-V99 WeakPolarHBondContact O-CG1 3.48Å; R90-D100 IonicContact CZ-OD2 3.86Å; R90-D100 IonicContact NE-OD2 3.94Å; R90-D100 IonicContact NH2-OD2 2.91Å; R90-D100 PolarHBondContact NH2-OD2 3.06Å; R90-D100 PolarHBondContact O-N 3.33Å; R90-Y101 PolarHBondContact N-O 3.2Å; R90-Y101 VanDerWaalsContact NH2-CD2 3.29Å
91	G	87.8	Confident	83.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-178.1	177.2	0	0	0	0	0	113.4	W25 H27	W25-G91 PolarHBondContact N-O 2.78Å; W25-G91 PolarHBondContact O-N 2.8Å; W25-G91 VanDerWaalsContact O-N 3.14Å; H27-G91 WeakPolarHBondContact NE2-CA 3.16Å
92	Q	82.9	Confident	83.9	Confident	114 Å²	114	57.2 Å²	57.2	53%	0.533	31%	0.308	S	S	.	.	S	Bend	trans	-90	166.3	165.6	-47.2	-174.4	-30.3	0	0	110.1	H27 G94 L95 R96	H27-Q92 PolarHBondContact CE1-O 3.23Å; H27-Q92 PolarHBondContact NE2-O 2.79Å; Q92-G94 PolarHBondContact O-N 2.64Å; Q92-L95 PolarHBondContact O-N 2.83Å; Q92-R96 VanDerWaalsContact CB-O 3.31Å; Q92-R96 WeakPolarHBondContact CB-O 3.43Å; Q92-R96 PolarHBondContact OE1-O 3.15Å
93	L	78.7	Confident	83.9	Confident	90 Å²	90	58 Å²	58	47%	0.471	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-42.1	126.9	179.1	174.7	66.1	0	0	0	112.5	W25 L95 R96	W25-L93 HydrophobicContact CD2-CB 4.48Å; W25-L93 HydrophobicContact CD2-CD1 4.31Å; W25-L93 HydrophobicContact CE3-CD1 4.31Å; W25-L93 HydrophobicContact CH2-CD1 3.55Å; W25-L93 HydrophobicContact CZ2-CB 4.29Å; W25-L93 HydrophobicContact CZ2-CD1 3.6Å; W25-L93 HydrophobicContact CZ2-CG 4.41Å; W25-L93 HydrophobicContact CZ3-CD1 3.94Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-R96 WeakPolarHBondContact O-CB 3.14Å; L93-R96 WeakPolarHBondContact O-CG 3.16Å; L93-R96 PolarHBondContact O-N 2.88Å; L93-R96 VanDerWaalsContact O-N 3.16Å
94	G	68	Low	83.7	Confident	48 Å²	48	65.3 Å²	65.3	50%	0.495	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	62.2	28.1	174.9	0	0	0	0	0	113.9	E42 Q92 R96	E42-G94 PolarHBondContact OE1-N 3.22Å; E42-G94 PolarHBondContact OE2-N 2.93Å; E42-G94 VanDerWaalsContact OE2-N 3.11Å; Q92-G94 PolarHBondContact O-N 2.64Å; G94-R96 PolarHBondContact O-N 3.37Å
95	L	66.6	Low	83.6	Confident	73 Å²	73	66.3 Å²	66.3	38%	0.382	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	60.9	18.6	-176.4	-50.4	173.3	0	0	0	113.7	Q92 L93 G97 G98 V99	Q92-L95 PolarHBondContact O-N 2.83Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-G97 PolarHBondContact O-N 3.42Å; L95-G98 PolarHBondContact O-N 2.97Å; L95-V99 HydrophobicContact CD2-CG2 3.44Å; L95-V99 VanDerWaalsContact CD2-CG2 3.44Å
96	R	61.3	Low	83.6	Confident	193 Å²	193	67.4 Å²	67.4	73%	0.728	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	123.3	175	-74.8	-176.7	168.4	-129.5	-1	108.9	Q92 L93 G94 G98	Q92-R96 VanDerWaalsContact CB-O 3.31Å; Q92-R96 WeakPolarHBondContact CB-O 3.43Å; Q92-R96 PolarHBondContact OE1-O 3.15Å; L93-R96 WeakPolarHBondContact O-CB 3.14Å; L93-R96 WeakPolarHBondContact O-CG 3.16Å; L93-R96 PolarHBondContact O-N 2.88Å; L93-R96 VanDerWaalsContact O-N 3.16Å; G94-R96 PolarHBondContact O-N 3.37Å; R96-G98 VanDerWaalsContact C-N 3.34Å
97	G	61.5	Low	83.5	Confident	77 Å²	77	70.2 Å²	70.2	79%	0.794	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-2.2	-175.6	0	0	0	0	0	115.6	L95	L95-G97 PolarHBondContact O-N 3.42Å
98	G	63.5	Low	83.5	Confident	34 Å²	34	68.1 Å²	68.1	35%	0.351	38%	0.376	S	S	.	.			trans	93.2	172.9	177.4	0	0	0	0	0	114.5	L95 R96	L95-G98 PolarHBondContact O-N 2.97Å; R96-G98 VanDerWaalsContact C-N 3.34Å
99	V	70.8	Confident	83.5	Confident	39 Å²	39	70 Å²	70	24%	0.236	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.4	170.9	-175.1	0	0	0	0	107.8	A89 R90 L95 Y101 W102	A89-V99 HydrophobicContact CB-CG1 3.35Å; A89-V99 HydrophobicContact CB-CG2 4.45Å; R90-V99 VanDerWaalsContact O-CG1 3.29Å; R90-V99 WeakPolarHBondContact O-CG1 3.48Å; L95-V99 HydrophobicContact CD2-CG2 3.44Å; L95-V99 VanDerWaalsContact CD2-CG2 3.44Å; V99-Y101 WeakPolarHBondContact CG1-O 3.42Å; V99-W102 HydrophobicContact CB-CZ2 4.2Å; V99-W102 HydrophobicContact CG1-CD2 4.34Å; V99-W102 HydrophobicContact CG1-CG 4.37Å; V99-W102 HydrophobicContact CG1-CZ2 4.19Å; V99-W102 VanDerWaalsContact CG1-NE1 3.33Å; V99-W102 HydrophobicContact CG2-CZ2 4.08Å
100	D	75.1	Confident	83.6	Confident	87 Å²	87	70.1 Å²	70.1	47%	0.465	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-32.7	-176.3	-61	-35.1	0	0	0	112.3	R90	R90-D100 IonicContact CZ-OD2 3.86Å; R90-D100 IonicContact NE-OD2 3.94Å; R90-D100 IonicContact NH2-OD2 2.91Å; R90-D100 PolarHBondContact NH2-OD2 3.06Å; R90-D100 PolarHBondContact O-N 3.33Å
101	Y	87.3	Confident	83.7	Confident	150 Å²	150	71.1 Å²	71.1	59%	0.588	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.2	-172.9	-67.2	-89.6	0	0	0	111.9	A89 R90 V99	A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 VanDerWaalsContact CA-O 3.31Å; A89-Y101 WeakPolarHBondContact CA-O 3.47Å; R90-Y101 PolarHBondContact N-O 3.2Å; R90-Y101 VanDerWaalsContact NH2-CD2 3.29Å; V99-Y101 WeakPolarHBondContact CG1-O 3.42Å
102	W	93	Very high	83.5	Confident	109 Å²	109	78.4 Å²	78.4	41%	0.413	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	177	-69.5	75.8	0	0	0	110.4	V29 L37 Y87 A89 V99	V29-W102 HydrophobicContact CB-CH2 4.16Å; V29-W102 HydrophobicContact CB-CZ3 3.85Å; V29-W102 HydrophobicContact CG1-CH2 4.12Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.78Å; V29-W102 HydrophobicContact CG2-CZ3 3.85Å; L37-W102 HydrophobicContact CD1-CH2 3.82Å; L37-W102 HydrophobicContact CD1-CZ2 4.34Å; L37-W102 HydrophobicContact CD1-CZ3 4.38Å; Y87-W102 HydrophobicContact CD1-CE3 4.5Å; Y87-W102 HydrophobicContact CG-CE3 4.17Å; Y87-W102 HydrophobicContact CG-CZ3 4.33Å; A89-W102 HydrophobicContact CB-CD2 3.98Å; A89-W102 HydrophobicContact CB-CE3 4.01Å; A89-W102 HydrophobicContact CB-CH2 4.41Å; A89-W102 HydrophobicContact CB-CZ2 4.38Å; A89-W102 HydrophobicContact CB-CZ3 4.24Å; V99-W102 HydrophobicContact CB-CZ2 4.2Å; V99-W102 HydrophobicContact CG1-CD2 4.34Å; V99-W102 HydrophobicContact CG1-CG 4.37Å; V99-W102 HydrophobicContact CG1-CZ2 4.19Å; V99-W102 VanDerWaalsContact CG1-NE1 3.33Å; V99-W102 HydrophobicContact CG2-CZ2 4.08Å
103	G	94	Very high	83.6	Confident	28 Å²	28	76.7 Å²	76.7	29%	0.289	45%	0.447	S	S	.	.			trans	-67.6	161.5	164.3	0	0	0	0	0	111.1	C88 G105	C88-G103 PolarHBondContact O-N 2.96Å; G103-G105 PolarHBondContact O-N 2.61Å; G103-G105 VanDerWaalsContact O-N 3.1Å
104	Q	94.5	Very high	83.8	Confident	188 Å²	188	75.9 Å²	75.9	88%	0.879	45%	0.446	S	S	*	.			trans	-62.5	-18.3	178.7	-65.3	-62.1	-39.7	0	0	113.6
105	G	95.3	Very high	84.7	Confident	27 Å²	27	77.5 Å²	77.5	28%	0.278	44%	0.443	S	S	.	.			trans	84.2	153.2	-176.5	0	0	0	0	0	112.8	Y86 Y87 G103	Y86-G105 CarbonylContact O-C 3.54Å; Y86-G105 WeakPolarHBondContact O-CA 3.48Å; Y87-G105 VanDerWaalsContact CD1-CA 3.41Å; G103-G105 PolarHBondContact O-N 2.61Å; G103-G105 VanDerWaalsContact O-N 3.1Å
106	T	96.5	Very high	85.8	Confident	57 Å²	57	77.8 Å²	77.8	35%	0.35	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.1	176	-67.4	0	0	0	0	109.2	L12 Y86 L108	L12-T106 HydrophobicContact CD2-CG2 4.25Å; Y86-T106 PolarHBondContact N-O 3.09Å; Y86-T106 PolarHBondContact O-N 2.97Å; T106-L108 PolarHBondContact O-N 3.33Å
107	T	97.3	Very high	87.3	Confident	63 Å²	63	70.6 Å²	70.6	39%	0.387	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.5	172	-48	0	0	0	0	110.1	A1 E2	A1-T107 CarbonylContact C-O 3.53Å; A1-T107 WeakPolarHBondContact CA-O 3.4Å; E2-T107 PolarHBondContact N-O 3.46Å
108	L	96.8	Very high	89	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	168.4	178.3	68.5	0	0	0	108	E2 V4 V10 L75 L78 S83 A84 Y86 T106 V110	E2-L108 HydrophobicContact CB-CD1 3.99Å; E2-L108 HydrophobicContact CG-CD1 4.4Å; E2-L108 WeakPolarHBondContact O-CA 3.27Å; V4-L108 HydrophobicContact CG1-CD1 4.31Å; V4-L108 HydrophobicContact CG2-CD1 3.86Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.19Å; V10-L108 HydrophobicContact CG1-CD2 3.86Å; V10-L108 HydrophobicContact CG2-CD1 4.41Å; L75-L108 HydrophobicContact CD1-CD2 4.03Å; L78-L108 HydrophobicContact CD1-CD2 4.14Å; L78-L108 HydrophobicContact CD2-CD2 4.02Å; S83-L108 CarbonylContact C-O 3.52Å; S83-L108 VanDerWaalsContact CA-O 3.24Å; S83-L108 WeakPolarHBondContact CA-O 3.42Å; A84-L108 PolarHBondContact N-O 2.66Å; A84-L108 PolarHBondContact O-N 3.37Å; Y86-L108 HydrophobicContact CD2-CB 3.87Å; Y86-L108 HydrophobicContact CD2-CD2 4.36Å; Y86-L108 HydrophobicContact CE2-CB 3.75Å; Y86-L108 HydrophobicContact CE2-CD2 3.71Å; Y86-L108 HydrophobicContact CE2-CG 4.35Å; T106-L108 PolarHBondContact O-N 3.33Å; L108-V110 HydrophobicContact CG-CG2 4.34Å
109	T	97	Very high	90.9	Very high	57 Å²	57	72.7 Å²	72.7	35%	0.35	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	176.1	-58	0	0	0	0	108.7	E2 L3 V4	E2-T109 PolarHBondContact O-N 3.47Å; L3-T109 WeakPolarHBondContact CA-O 3.24Å; L3-T109 HydrophobicContact CD1-CG2 3.66Å; V4-T109 PolarHBondContact N-O 2.96Å
110	V	96.1	Very high	92.4	Very high	5 Å²	5	75.3 Å²	75.3	3%	0.03	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	106.2	178.1	-170.6	0	0	0	0	108.9	V4 P6 L78 T79 D82 S83 L108	V4-V110 HydrophobicContact CG2-CB 4.4Å; V4-V110 HydrophobicContact CG2-CG1 4.4Å; V4-V110 HydrophobicContact CG2-CG2 3.83Å; V4-V110 VanDerWaalsContact O-CA 3.31Å; V4-V110 WeakPolarHBondContact O-CA 3.45Å; P6-V110 HydrophobicContact CB-CG1 4.44Å; P6-V110 HydrophobicContact CG-CG1 4.17Å; L78-V110 HydrophobicContact CB-CG1 4.11Å; L78-V110 HydrophobicContact CB-CG2 4.02Å; L78-V110 HydrophobicContact CD1-CG2 4.25Å; T79-V110 VanDerWaalsContact O-CB 3.29Å; T79-V110 WeakPolarHBondContact O-CB 3.02Å; T79-V110 WeakPolarHBondContact O-CG1 3.34Å; T79-V110 WeakPolarHBondContact O-CG2 3.36Å; D82-V110 HydrophobicContact CB-CG2 4.23Å; S83-V110 PolarHBondContact OG-N 2.85Å; L108-V110 HydrophobicContact CG-CG2 4.34Å
111	S	93.6	Very high	93.8	Very high	54 Å²	54	74.3 Å²	74.3	38%	0.378	42%	0.418	S	S	.	.			trans	-145.8	152	-179.7	66.7	0	0	0	0	111.7	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.4Å; V4-S111 PolarHBondContact O-N 2.63Å
112	S	85	Confident	94.4	Very high	153 Å²	153	67.5 Å²	67.5	100%	1.07	40%	0.402	S	S	*	.			trans	-76.2	0	175.6	56.6	0	0	0	0	112.7

Retrieved 112 of 112 residues in 169 ms (Link to these results)

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