X5J4I3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4I3_MOUSE|X5J4I3
SVLVRPGVSVKLSCKASGYSFTTSWVHWAKQRPGQGLEWIGETHPKSGQINYNEKFKGKATLTVDTSSSTAYVDLSSLTSEDSAVYYCARESSGDYRYFDVWGAGTTVTVSS
					

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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	S	88.1	Confident	96.5	Very high	127 Å²	127	81.3 Å²	81.3	89%	0.888	47%	0.469	S	S	*	.				0	157.6	0	47.3	0	0	0	0	108.9	T107	S1-T107 CarbonylContact C-O 3.36Å; S1-T107 WeakPolarHBondContact CA-O 3.24Å; S1-T107 WeakPolarHBondContact CB-O 3.38Å
2	V	95.6	Very high	96.5	Very high	44 Å²	44	75.2 Å²	75.2	27%	0.267	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.5	179.7	-169.6	0	0	0	0	107.9	V4 V10 L12 T106 T107 V108 T109	V2-V4 HydrophobicContact CG1-CG1 3.85Å; V2-V10 HydrophobicContact CG1-CG1 4.28Å; V2-V10 HydrophobicContact CG1-CG2 4.41Å; V2-L12 HydrophobicContact CG2-CD2 4.18Å; V2-T106 HydrophobicContact CG2-CG2 3.92Å; V2-T107 PolarHBondContact N-O 3.49Å; V2-V108 HydrophobicContact CB-CG2 4.39Å; V2-V108 CarbonylContact O-C 3.5Å; V2-V108 WeakPolarHBondContact O-CA 3.33Å; V2-T109 PolarHBondContact O-N 3.36Å
3	L	97.3	Very high	96.4	Very high	123 Å²	123	75.3 Å²	75.3	64%	0.644	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.1	175.2	178.8	63.8	0	0	0	108.9	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.47Å; L3-T109 HydrophobicContact CD1-CG2 3.81Å; L3-S111 WeakPolarHBondContact CD1-OG 3.33Å
4	V	97.3	Very high	96	Very high	22 Å²	22	70.4 Å²	70.4	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158	-175.7	-65.1	0	0	0	0	112.6	V2 V8 V10 L78 V108 T109 V110 S111	V2-V4 HydrophobicContact CG1-CG1 3.85Å; V4-V8 HydrophobicContact CB-CG2 3.55Å; V4-V8 HydrophobicContact CG1-CG2 3.93Å; V4-V8 HydrophobicContact CG2-CG2 4.1Å; V4-V10 HydrophobicContact CB-CG2 4.47Å; V4-V10 HydrophobicContact CG1-CG2 3.57Å; V4-V10 HydrophobicContact CG2-CG2 4.36Å; V4-L78 HydrophobicContact CG2-CD1 3.83Å; V4-V108 HydrophobicContact CG2-CG1 4.39Å; V4-T109 PolarHBondContact N-O 2.61Å; V4-V110 HydrophobicContact CG2-CB 4.34Å; V4-V110 HydrophobicContact CG2-CG1 4.39Å; V4-V110 HydrophobicContact CG2-CG2 3.82Å; V4-V110 WeakPolarHBondContact O-CA 3.25Å; V4-S111 PolarHBondContact O-N 2.96Å
5	R	97.6	Very high	95.6	Very high	180 Å²	180	75.5 Å²	75.5	68%	0.679	43%	0.428	S	S	*	.			trans	-81.8	153.8	171.1	-68.4	-177	178.8	170.9	1.5	111.1	V8	R5-V8 WeakPolarHBondContact O-CG2 3.3Å
6	P	98	Very high	94.8	Very high	74 Å²	74	71.6 Å²	71.6	48%	0.481	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	144.8	171.9	-24.1	33.4	0	0	0	112.5	V8 L78 V110	P6-V8 VanDerWaalsContact C-N 3.34Å; P6-V8 PolarHBondContact O-N 3Å; P6-L78 CarbonylContact C-O 3.47Å; P6-L78 WeakPolarHBondContact CA-O 3.41Å; P6-V110 HydrophobicContact CB-CG1 4.3Å; P6-V110 HydrophobicContact CG-CG1 4.09Å
7	G	97.3	Very high	93.8	Very high	52 Å²	52	73.5 Å²	73.5	54%	0.536	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-12	177.3	0	0	0	0	0	115.3	L78	G7-L78 PolarHBondContact N-O 3.24Å
8	V	97.3	Very high	92.5	Very high	60 Å²	60	74.1 Å²	74.1	36%	0.364	45%	0.451	S	S	.	.			trans	-83	155.9	177.2	-46.1	0	0	0	0	111.7	V4 R5 P6 L78	V4-V8 HydrophobicContact CB-CG2 3.55Å; V4-V8 HydrophobicContact CG1-CG2 3.93Å; V4-V8 HydrophobicContact CG2-CG2 4.1Å; R5-V8 WeakPolarHBondContact O-CG2 3.3Å; P6-V8 VanDerWaalsContact C-N 3.34Å; P6-V8 PolarHBondContact O-N 3Å; V8-L78 WeakPolarHBondContact O-CB 3.18Å; V8-L78 WeakPolarHBondContact O-CG 3.12Å; V8-L78 PolarHBondContact O-N 3.29Å
9	S	97.7	Very high	91.2	Very high	81 Å²	81	74.5 Å²	74.5	57%	0.566	44%	0.444	S	S	*	.			trans	-97.5	148.7	172.4	-56.4	0	0	0	0	110.7	L75 S76 S77	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.21Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; S9-S76 WeakPolarHBondContact OG-CA 3.44Å; S9-S77 PolarHBondContact OG-N 2.76Å
10	V	97.6	Very high	90	Very high	16 Å²	16	73.6 Å²	73.6	10%	0.097	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.2	177.6	172.8	0	0	0	0	110	V2 V4 L12 L75 L78	V2-V10 HydrophobicContact CG1-CG1 4.28Å; V2-V10 HydrophobicContact CG1-CG2 4.41Å; V4-V10 HydrophobicContact CB-CG2 4.47Å; V4-V10 HydrophobicContact CG1-CG2 3.57Å; V4-V10 HydrophobicContact CG2-CG2 4.36Å; V10-L12 HydrophobicContact CG1-CD2 3.6Å; V10-L12 HydrophobicContact CG1-CG 4.14Å; V10-L75 PolarHBondContact N-O 3.07Å; V10-L75 PolarHBondContact O-N 2.91Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG2-CD1 3.54Å
11	K	97.8	Very high	88.8	Confident	115 Å²	115	70.2 Å²	70.2	50%	0.5	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.7	169.3	-170.3	167.8	-165.7	156.4	0	110.1	Y72 D74	K11-Y72 HydrophobicContact CD-CD1 4.22Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.18Å; K11-D74 WeakPolarHBondContact CB-OD1 3.27Å; K11-D74 WeakPolarHBondContact CD-OD1 3.08Å; K11-D74 WeakPolarHBondContact CE-OD2 3.49Å; K11-D74 WeakPolarHBondContact CG-OD1 3.4Å; K11-D74 IonicContact NZ-OD2 2.78Å; K11-D74 PolarHBondContact NZ-OD2 3.03Å
12	L	97.1	Very high	87.9	Confident	8 Å²	8	67.3 Å²	67.3	4%	0.042	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.8	171.9	-54.8	-180	0	0	0	109.4	V2 V10 W28 Y72 V73 L75 Y86 T106 V108	V2-L12 HydrophobicContact CG2-CD2 4.18Å; V10-L12 HydrophobicContact CG1-CD2 3.6Å; V10-L12 HydrophobicContact CG1-CG 4.14Å; L12-W28 HydrophobicContact CB-CH2 4.23Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; L12-Y72 WeakPolarHBondContact O-CB 3.47Å; L12-V73 HydrophobicContact CB-CG1 3.82Å; L12-V73 HydrophobicContact CD1-CG1 4.17Å; L12-V73 HydrophobicContact CG-CG1 4.31Å; L12-V73 PolarHBondContact N-O 2.96Å; L12-V73 PolarHBondContact O-N 3.39Å; L12-L75 HydrophobicContact CD1-CD1 4.17Å; L12-Y86 HydrophobicContact CD1-CD1 4.21Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; L12-T106 HydrophobicContact CD2-CG2 3.99Å; L12-V108 HydrophobicContact CD1-CG2 3.98Å; L12-V108 HydrophobicContact CD2-CG2 4.04Å
13	S	94.6	Very high	86.8	Confident	77 Å²	77	69.2 Å²	69.2	54%	0.538	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.6	177.7	63.9	0	0	0	0	111.3	A71 Y72	S13-A71 CarbonylContact C-O 3.49Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	91.6	Very high	86.1	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.041	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	107.2	176.3	177.3	0	0	0	0	108.4	F21 W28 T70 A71 C88	C14-F21 WeakPolarHBondContact O-CE2 3.4Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.74Å; C14-T70 CarbonylContact O-C 3.46Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; C14-A71 HydrophobicContact CB-CB 4.41Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 3.5Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.83Å
15	K	89.4	Confident	85.7	Confident	148 Å²	148	64.8 Å²	64.8	64%	0.643	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.7	-177	-170.5	175	-179.9	178.3	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.36Å
16	A	82.8	Confident	85.4	Confident	12 Å²	12	56.3 Å²	56.3	10%	0.099	35%	0.351	C	S	.	.			trans	-61.5	143.3	171.2	0	0	0	0	0	111.3	Y19 F21 S69 W102	A16-Y19 HydrophobicContact CB-CD2 4.09Å; A16-Y19 HydrophobicContact CB-CE2 3.37Å; A16-Y19 WeakPolarHBondContact CB-O 3.49Å; A16-F21 HydrophobicContact CB-CD2 4.39Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; A16-S69 PolarHBondContact N-O 3.23Å; A16-W102 HydrophobicContact CB-CE3 4.42Å; A16-W102 HydrophobicContact CB-CH2 4.39Å; A16-W102 HydrophobicContact CB-CZ3 3.71Å
17	S	77	Confident	85.2	Confident	105 Å²	105	53.2 Å²	53.2	73%	0.734	33%	0.33	S	S	*	.	S	Bend	trans	-119	115.9	170.3	-173.4	0	0	0	0	109.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CE1 3.37Å
18	G	71.4	Confident	85.1	Confident	84 Å²	84	51 Å²	51	87%	0.866	31%	0.306	S	S	*	.	S	Bend	trans	87.3	4.6	174.1	0	0	0	0	0	117
19	Y	67.1	Low	85.1	Confident	81 Å²	81	49 Å²	49	32%	0.318	30%	0.295	S	S	.	.	S	Bend	trans	-158.7	175.3	174.4	56.9	-91.5	0	0	0	110.6	A16 S17 W102	A16-Y19 HydrophobicContact CB-CD2 4.09Å; A16-Y19 HydrophobicContact CB-CE2 3.37Å; A16-Y19 WeakPolarHBondContact CB-O 3.49Å; S17-Y19 WeakPolarHBondContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CE1 3.37Å; Y19-W102 HydrophobicContact CD2-CH2 4.08Å; Y19-W102 HydrophobicContact CD2-CZ2 4.31Å; Y19-W102 HydrophobicContact CE1-CZ2 4.15Å; Y19-W102 HydrophobicContact CE2-CE3 4.34Å; Y19-W102 AromaticContact CE2-CH2 2.92Å; Y19-W102 HydrophobicContact CE2-CH2 2.92Å; Y19-W102 AromaticContact CE2-CZ2 3.2Å; Y19-W102 HydrophobicContact CE2-CZ2 3.2Å; Y19-W102 AromaticContact CE2-CZ3 3.42Å; Y19-W102 HydrophobicContact CE2-CZ3 3.42Å; Y19-W102 VanDerWaalsContact CE2-CZ3 3.42Å; Y19-W102 AromaticContact CZ-CE2 3.61Å; Y19-W102 AromaticContact CZ-CH2 3.26Å; Y19-W102 AromaticContact CZ-CZ2 3.08Å; Y19-W102 AromaticContact CZ-CZ3 3.56Å; Y19-W102 WeakPolarHBondContact OH-CH2 3.08Å; Y19-W102 WeakPolarHBondContact OH-CZ2 3.46Å; Y19-W102 WeakPolarHBondContact OH-CZ3 3.42Å
20	S	66.8	Low	85	Confident	56 Å²	56	45.3 Å²	45.3	39%	0.392	27%	0.27	S	S	.	.			trans	-105.6	147.4	178.5	67.1	0	0	0	0	113.3	T22 S69	S20-T22 PolarHBondContact O-N 2.81Å; S20-T22 VanDerWaalsContact OG-CG2 3.24Å; S20-T22 WeakPolarHBondContact OG-CG2 3.49Å; S20-T22 PolarHBondContact OG-OG1 2.79Å; S20-S69 WeakPolarHBondContact CA-OG 3.34Å
21	F	65.7	Low	85	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.013	28%	0.28	C	S	.	.	S	Bend	trans	-73.8	54.2	170.9	-76.1	-62.4	0	0	0	111.6	C14 A16 V26 P45 V64 S69 A71 W102	C14-F21 WeakPolarHBondContact O-CE2 3.4Å; A16-F21 HydrophobicContact CB-CD2 4.39Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; F21-V26 HydrophobicContact CD1-CG2 3.35Å; F21-V26 HydrophobicContact CE1-CB 4.15Å; F21-V26 HydrophobicContact CE1-CG1 3.79Å; F21-V26 HydrophobicContact CE1-CG2 3.23Å; F21-V26 HydrophobicContact CG-CG2 4.31Å; F21-V26 HydrophobicContact CZ-CG1 4.19Å; F21-V26 HydrophobicContact CZ-CG2 4.19Å; F21-P45 HydrophobicContact CB-CB 4.23Å; F21-P45 HydrophobicContact CB-CG 3.9Å; F21-P45 WeakPolarHBondContact O-CB 3.23Å; F21-P45 VanDerWaalsContact O-CG 3.25Å; F21-P45 WeakPolarHBondContact O-CG 3.36Å; F21-V64 HydrophobicContact CB-CG1 4.02Å; F21-V64 HydrophobicContact CD2-CG1 4.11Å; F21-V64 HydrophobicContact CG-CG1 4.23Å; F21-S69 VanDerWaalsContact CD2-O 3.27Å; F21-S69 WeakPolarHBondContact CD2-O 3.43Å; F21-S69 WeakPolarHBondContact CE2-O 3.44Å; F21-S69 PolarHBondContact N-OG 2.9Å; F21-A71 HydrophobicContact CE1-CB 4.38Å; F21-A71 HydrophobicContact CE2-CB 4Å; F21-A71 VanDerWaalsContact CE2-N 3.3Å; F21-A71 HydrophobicContact CZ-CB 3.73Å; F21-W102 AromaticContact CD1-CH2 3.53Å; F21-W102 HydrophobicContact CD1-CH2 3.53Å; F21-W102 AromaticContact CD1-CZ3 3.57Å; F21-W102 HydrophobicContact CD1-CZ3 3.57Å; F21-W102 AromaticContact CE1-CE3 3.76Å; F21-W102 HydrophobicContact CE1-CE3 3.76Å; F21-W102 AromaticContact CE1-CH2 3.16Å; F21-W102 HydrophobicContact CE1-CH2 3.16Å; F21-W102 HydrophobicContact CE1-CZ2 4.44Å; F21-W102 AromaticContact CE1-CZ3 2.82Å; F21-W102 HydrophobicContact CE1-CZ3 2.82Å; F21-W102 AromaticContact CE2-CZ3 3.95Å; F21-W102 HydrophobicContact CE2-CZ3 3.95Å; F21-W102 HydrophobicContact CG-CZ3 4.41Å; F21-W102 AromaticContact CZ-CE3 3.7Å; F21-W102 HydrophobicContact CZ-CE3 3.7Å; F21-W102 AromaticContact CZ-CH2 3.9Å; F21-W102 HydrophobicContact CZ-CH2 3.9Å; F21-W102 AromaticContact CZ-CZ3 3.05Å; F21-W102 HydrophobicContact CZ-CZ3 3.05Å
22	T	68.3	Low	84.9	Confident	67 Å²	67	45 Å²	45	41%	0.411	27%	0.266	S	S	.	.	S	Bend	trans	-97.4	-24.9	-173.5	47.9	0	0	0	0	114	S20	S20-T22 PolarHBondContact O-N 2.81Å; S20-T22 VanDerWaalsContact OG-CG2 3.24Å; S20-T22 WeakPolarHBondContact OG-CG2 3.49Å; S20-T22 PolarHBondContact OG-OG1 2.79Å
23	T	73.2	Confident	84.8	Confident	84 Å²	84	50.3 Å²	50.3	52%	0.515	30%	0.302	S	S	.	.	S	Bend	trans	-140.2	1.2	-168.6	55.5	0	0	0	0	115.6
24	S	81.8	Confident	84.8	Confident	5 Å²	5	51.1 Å²	51.1	4%	0.035	32%	0.322	C	S	.	.	S	Bend	trans	-123.4	143.2	-176	-61.7	0	0	0	0	112.4	P45 R90 E91	S24-P45 WeakPolarHBondContact O-CD 3.39Å; S24-P45 WeakPolarHBondContact O-CG 3.24Å; S24-R90 PolarHBondContact OG-NE 2.85Å; S24-R90 PolarHBondContact OG-NH2 3.17Å; S24-R90 VanDerWaalsContact OG-NH2 3.07Å; S24-E91 VanDerWaalsContact CB-O 3.27Å; S24-E91 WeakPolarHBondContact CB-O 3.4Å; S24-E91 PolarHBondContact OG-O 2.85Å
25	W	89.1	Confident	84.9	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.178	34%	0.341	C	S	.	.			trans	-61.7	141.8	174.7	-70.3	95.5	0	0	0	111.2	H27 E42 H44 Q49 R90 E91	W25-H27 VanDerWaalsContact CB-NE2 3.3Å; W25-H27 WeakPolarHBondContact CB-NE2 3.35Å; W25-E42 HydrophobicContact CD2-CG 4.42Å; W25-E42 HydrophobicContact CE3-CB 4.03Å; W25-E42 HydrophobicContact CE3-CG 3.53Å; W25-E42 HydrophobicContact CZ3-CG 3.74Å; W25-H44 HydrophobicContact CD2-CB 3.74Å; W25-H44 AromaticContact CE2-CD2 3.84Å; W25-H44 HydrophobicContact CE3-CB 3.62Å; W25-H44 VanDerWaalsContact CE3-N 3.3Å; W25-H44 HydrophobicContact CH2-CB 3.67Å; W25-H44 HydrophobicContact CZ2-CB 3.76Å; W25-H44 HydrophobicContact CZ3-CB 3.58Å; W25-H44 AromaticContact NE1-CD2 3.79Å; W25-Q49 HydrophobicContact CH2-CB 3.83Å; W25-Q49 HydrophobicContact CH2-CG 3.74Å; W25-Q49 HydrophobicContact CZ3-CB 4.38Å; W25-Q49 HydrophobicContact CZ3-CG 4.45Å; W25-R90 WeakPolarHBondContact O-CA 3.27Å; W25-E91 HydrophobicContact CB-CB 4.1Å; W25-E91 PolarHBondContact O-N 3.41Å
26	V	91.4	Very high	85.1	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.5	176.3	-167.3	0	0	0	0	108.4	F21 E42 T43 P45 V64 A71 A89	F21-V26 HydrophobicContact CD1-CG2 3.35Å; F21-V26 HydrophobicContact CE1-CB 4.15Å; F21-V26 HydrophobicContact CE1-CG1 3.79Å; F21-V26 HydrophobicContact CE1-CG2 3.23Å; F21-V26 HydrophobicContact CG-CG2 4.31Å; F21-V26 HydrophobicContact CZ-CG1 4.19Å; F21-V26 HydrophobicContact CZ-CG2 4.19Å; V26-E42 CarbonylContact O-C 3.56Å; V26-E42 WeakPolarHBondContact O-CA 3.33Å; V26-T43 HydrophobicContact CB-CG2 4.16Å; V26-T43 PolarHBondContact N-O 3.12Å; V26-T43 PolarHBondContact O-N 2.87Å; V26-P45 HydrophobicContact CG2-CG 4.01Å; V26-V64 HydrophobicContact CG2-CG2 4.39Å; V26-A71 HydrophobicContact CB-CB 4.36Å; V26-A71 HydrophobicContact CG1-CB 3.64Å; V26-A89 CarbonylContact C-O 3.52Å; V26-A89 WeakPolarHBondContact CA-O 3.05Å
27	H	94	Very high	85.7	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.042	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.2	-175.6	-54.2	-104.3	0	0	0	109.6	W25 W39 G41 E42 C88 A89 E91 F99	W25-H27 VanDerWaalsContact CB-NE2 3.3Å; W25-H27 WeakPolarHBondContact CB-NE2 3.35Å; H27-W39 AromaticContact ND1-NE1 3.6Å; H27-G41 WeakPolarHBondContact CA-O 3.17Å; H27-E42 HydrophobicContact CB-CB 4.49Å; H27-E42 IonicContact CE1-OE2 3.12Å; H27-E42 PolarHBondContact CE1-OE2 2.95Å; H27-E42 WeakPolarHBondContact ND1-CB 3.32Å; H27-E42 IonicContact ND1-OE2 3.84Å; H27-E42 PolarHBondContact ND1-OE2 3.25Å; H27-E42 IonicContact NE2-OE2 3.25Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 2.91Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 2.79Å; H27-E91 WeakPolarHBondContact NE2-CB 3.48Å; H27-F99 HydrophobicContact CB-CE1 4.39Å; H27-F99 AromaticContact CD2-CD1 3.85Å; H27-F99 AromaticContact CD2-CE1 3.41Å; H27-F99 VanDerWaalsContact CD2-CE1 3.41Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.42Å; H27-F99 AromaticContact CE1-CE1 3.46Å; H27-F99 VanDerWaalsContact CE1-CE1 3.46Å; H27-F99 WeakPolarHBondContact CE1-CE1 3.5Å; H27-F99 AromaticContact CE1-CZ 3.95Å; H27-F99 AromaticContact CG-CE1 3.51Å; H27-F99 AromaticContact ND1-CE1 3.53Å; H27-F99 AromaticContact ND1-CZ 3.86Å; H27-F99 AromaticContact NE2-CE1 3.42Å; H27-F99 WeakPolarHBondContact NE2-CE1 3.34Å
28	W	96.4	Very high	86.6	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.019	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.4	170.8	-73.4	92.1	0	0	0	109.8	L12 C14 I40 G41 L62 A71 V73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.23Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.74Å; W28-I40 HydrophobicContact CB-CB 4.09Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 HydrophobicContact CB-CG2 4.48Å; W28-I40 WeakPolarHBondContact O-CB 3.42Å; W28-I40 PolarHBondContact O-N 3.06Å; W28-G41 PolarHBondContact N-O 2.85Å; W28-L62 HydrophobicContact CB-CD2 4.34Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.42Å; W28-V73 HydrophobicContact CD2-CB 3.79Å; W28-V73 HydrophobicContact CD2-CG1 3.62Å; W28-V73 HydrophobicContact CE3-CB 4.11Å; W28-V73 HydrophobicContact CE3-CG1 3.39Å; W28-V73 HydrophobicContact CG-CB 4.15Å; W28-V73 HydrophobicContact CG-CG1 4.38Å; W28-V73 HydrophobicContact CH2-CB 4.49Å; W28-V73 HydrophobicContact CH2-CG1 3.75Å; W28-V73 HydrophobicContact CZ2-CB 4.22Å; W28-V73 HydrophobicContact CZ2-CG1 3.98Å; W28-V73 HydrophobicContact CZ3-CB 4.44Å; W28-V73 HydrophobicContact CZ3-CG1 3.46Å; W28-V73 VanDerWaalsContact CZ3-CG1 3.46Å; W28-Y87 WeakPolarHBondContact CA-O 3.15Å; W28-C88 HydrophobicContact CD2-CB 4.2Å; W28-C88 HydrophobicContact CE3-CB 4.07Å; W28-C88 HydrophobicContact CH2-CB 4.07Å; W28-C88 HydrophobicContact CZ2-CB 4.17Å; W28-C88 HydrophobicContact CZ3-CB 4.01Å
29	A	96.6	Very high	87.8	Confident	18 Å²	18	52.7 Å²	52.7	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.8	174.9	0	0	0	0	0	110.2	L37 E38 Y86 Y87	A29-L37 HydrophobicContact CB-CD2 4.03Å; A29-E38 CarbonylContact C-O 3.56Å; A29-E38 VanDerWaalsContact CA-O 3.23Å; A29-E38 WeakPolarHBondContact CA-O 3.2Å; A29-E38 WeakPolarHBondContact CB-O 2.98Å; A29-Y86 WeakPolarHBondContact O-CA 3.39Å; A29-Y87 PolarHBondContact N-O 3.07Å; A29-Y87 PolarHBondContact O-N 2.82Å
30	K	96.3	Very high	89.3	Confident	5 Å²	5	48.9 Å²	48.9	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.3	169.4	75.4	173.6	-164.5	-178.6	0	111.3	R32 E38 I40 F56 E81 D82 A84 V85 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.13Å; K30-E38 WeakPolarHBondContact CE-OE1 3.49Å; K30-E38 HydrophobicContact CG-CB 4.05Å; K30-E38 PolarHBondContact N-O 3.42Å; K30-E38 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.81Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; K30-F56 HydrophobicContact CG-CE1 4.34Å; K30-F56 HydrophobicContact CG-CZ 4.06Å; K30-E81 PolarHBondContact NZ-O 2.78Å; K30-D82 IonicContact NZ-OD1 3.69Å; K30-A84 HydrophobicContact CB-CB 4.03Å; K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 4.47Å; K30-V85 CarbonylContact C-O 3.51Å; K30-V85 WeakPolarHBondContact CA-O 3.31Å; K30-Y86 HydrophobicContact CB-CD1 3.82Å; K30-Y86 HydrophobicContact CB-CE1 3.67Å; K30-Y86 HydrophobicContact CB-CG 4.35Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å
31	Q	96.9	Very high	90.7	Very high	68 Å²	68	46.2 Å²	46.2	32%	0.318	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.9	174.3	-169.9	-179.6	31.3	0	0	109.8	Q35 L37 A84 V85 Y87	Q31-Q35 WeakPolarHBondContact CG-O 3.17Å; Q31-L37 HydrophobicContact CB-CD2 3.98Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 3.14Å; Q31-Y87 HydrophobicContact CB-CD2 4.48Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.07Å
32	R	96.4	Very high	92.1	Very high	55 Å²	55	47.6 Å²	47.6	21%	0.208	28%	0.281	C	S	.	.			trans	-82.8	153.2	170.5	-61.2	-168	-175.2	113	-10.4	110.4	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.13Å; R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 3.12Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 IonicContact NH1-OE1 3.17Å; R32-E38 PolarHBondContact NH1-OE1 2.86Å; R32-E38 VanDerWaalsContact NH1-OE1 3.12Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 2.76Å; R32-E81 PolarHBondContact NH2-O 3Å; R32-A84 HydrophobicContact CG-CB 4.24Å
33	P	93.5	Very high	93.3	Very high	121 Å²	121	44.7 Å²	44.7	79%	0.786	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127	172.5	-25.4	34.7	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 2.89Å
34	G	94.4	Very high	94.1	Very high	93 Å²	93	42.2 Å²	42.2	96%	0.959	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	4.9	-179.5	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.82Å
35	Q	94.7	Very high	94.4	Very high	95 Å²	95	42.8 Å²	42.8	44%	0.444	25%	0.249	S	C	.	.	S	Bend	trans	-112.8	160.6	177.2	-60	-171	-4.8	0	0	111.9	Q31 R32 P33	Q31-Q35 WeakPolarHBondContact CG-O 3.17Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 3.12Å; P33-Q35 PolarHBondContact O-N 2.89Å
36	G	93.9	Very high	94.3	Very high	54 Å²	54	48.5 Å²	48.5	56%	0.557	28%	0.276	S	S	*	.			trans	-68.3	172.1	171.2	0	0	0	0	0	112.8	E38	G36-E38 PolarHBondContact O-N 3.37Å
37	L	94.4	Very high	94.1	Very high	115 Å²	115	52 Å²	52	60%	0.602	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.1	171.4	-80.2	161.3	0	0	0	110.3	A29 Q31 Y87	A29-L37 HydrophobicContact CB-CD2 4.03Å; Q31-L37 HydrophobicContact CB-CD2 3.98Å; L37-Y87 HydrophobicContact CD2-CD2 3.73Å; L37-Y87 HydrophobicContact CD2-CE2 4Å
38	E	96.4	Very high	93.8	Very high	39 Å²	39	54 Å²	54	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.9	171.3	-63.1	-172.2	-91.2	0	0	108.9	A29 K30 R32 G36 F56	A29-E38 CarbonylContact C-O 3.56Å; A29-E38 VanDerWaalsContact CA-O 3.23Å; A29-E38 WeakPolarHBondContact CA-O 3.2Å; A29-E38 WeakPolarHBondContact CB-O 2.98Å; K30-E38 WeakPolarHBondContact CE-OE1 3.49Å; K30-E38 HydrophobicContact CG-CB 4.05Å; K30-E38 PolarHBondContact N-O 3.42Å; K30-E38 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 IonicContact NH1-OE1 3.17Å; R32-E38 PolarHBondContact NH1-OE1 2.86Å; R32-E38 VanDerWaalsContact NH1-OE1 3.12Å; G36-E38 PolarHBondContact O-N 3.37Å; E38-F56 HydrophobicContact CB-CE2 4.35Å; E38-F56 HydrophobicContact CB-CZ 4.21Å
39	W	96.4	Very high	93.7	Very high	86 Å²	86	58.5 Å²	58.5	33%	0.326	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.6	176.5	-177.9	74.4	0	0	0	110.9	H27 G41 E42 N51 N53	H27-W39 AromaticContact ND1-NE1 3.6Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.97Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.89Å; W39-E42 HydrophobicContact CZ2-CG 3.74Å; W39-E42 WeakPolarHBondContact CZ2-OE2 3.14Å; W39-N51 HydrophobicContact CH2-CB 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.74Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 WeakPolarHBondContact O-CB 3.46Å; W39-N53 PolarHBondContact O-ND2 3.14Å
40	I	97.8	Very high	93.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-47.6	-178	-64.7	171.9	0	0	0	110.1	W28 K30 N53 F56 A60 L62 Y86	W28-I40 HydrophobicContact CB-CB 4.09Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 HydrophobicContact CB-CG2 4.48Å; W28-I40 WeakPolarHBondContact O-CB 3.42Å; W28-I40 PolarHBondContact O-N 3.06Å; K30-I40 HydrophobicContact CB-CD1 4.23Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 3.25Å; I40-F56 HydrophobicContact CB-CD1 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.39Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 3.97Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 3.91Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.13Å; I40-F56 HydrophobicContact CG1-CZ 4.01Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CG 4Å; I40-A60 HydrophobicContact CG2-CB 3.61Å; I40-L62 HydrophobicContact CG2-CD2 4.42Å; I40-Y86 HydrophobicContact CD1-CD1 3.84Å; I40-Y86 HydrophobicContact CD1-CE1 3.94Å
41	G	96.8	Very high	93.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.5	179.8	-174.5	0	0	0	0	0	111.5	H27 W28 W39 N51 L62	H27-G41 WeakPolarHBondContact CA-O 3.17Å; W28-G41 PolarHBondContact N-O 2.85Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.97Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.47Å; G41-L62 VanDerWaalsContact C-CD1 3.43Å
42	E	94.9	Very high	93.6	Very high	33 Å²	33	62.8 Å²	62.8	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.8	177.9	67.4	-164.8	-162.1	0	0	111.4	W25 V26 H27 W39 I50 N51	W25-E42 HydrophobicContact CD2-CG 4.42Å; W25-E42 HydrophobicContact CE3-CB 4.03Å; W25-E42 HydrophobicContact CE3-CG 3.53Å; W25-E42 HydrophobicContact CZ3-CG 3.74Å; V26-E42 CarbonylContact O-C 3.56Å; V26-E42 WeakPolarHBondContact O-CA 3.33Å; H27-E42 HydrophobicContact CB-CB 4.49Å; H27-E42 IonicContact CE1-OE2 3.12Å; H27-E42 PolarHBondContact CE1-OE2 2.95Å; H27-E42 WeakPolarHBondContact ND1-CB 3.32Å; H27-E42 IonicContact ND1-OE2 3.84Å; H27-E42 PolarHBondContact ND1-OE2 3.25Å; H27-E42 IonicContact NE2-OE2 3.25Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.89Å; W39-E42 HydrophobicContact CZ2-CG 3.74Å; W39-E42 WeakPolarHBondContact CZ2-OE2 3.14Å; E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.19Å; E42-I50 WeakPolarHBondContact O-CG2 3.13Å; E42-N51 HydrophobicContact CG-CB 3.92Å; E42-N51 PolarHBondContact N-O 2.91Å; E42-N51 PolarHBondContact O-N 3.07Å; E42-N51 PolarHBondContact OE1-ND2 3.06Å
43	T	93.9	Very high	93.7	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.3	177.3	178.3	0	0	0	0	110.7	V26 P45 Q49 L62 V64	V26-T43 HydrophobicContact CB-CG2 4.16Å; V26-T43 PolarHBondContact N-O 3.12Å; V26-T43 PolarHBondContact O-N 2.87Å; T43-P45 WeakPolarHBondContact O-CD 3.33Å; T43-Q49 CarbonylContact C-O 3.55Å; T43-Q49 VanDerWaalsContact CA-O 3.28Å; T43-Q49 WeakPolarHBondContact CA-O 3.28Å; T43-L62 HydrophobicContact CG2-CB 4.32Å; T43-V64 HydrophobicContact CG2-CG2 3.33Å
44	H	90.8	Very high	93.8	Very high	32 Å²	32	62.6 Å²	62.6	15%	0.148	35%	0.354	C	S	.	.			trans	-95.1	112.3	175.6	-172.5	-104.2	0	0	0	109.6	W25 K46 S47 G48 Q49	W25-H44 HydrophobicContact CD2-CB 3.74Å; W25-H44 AromaticContact CE2-CD2 3.84Å; W25-H44 HydrophobicContact CE3-CB 3.62Å; W25-H44 VanDerWaalsContact CE3-N 3.3Å; W25-H44 HydrophobicContact CH2-CB 3.67Å; W25-H44 HydrophobicContact CZ2-CB 3.76Å; W25-H44 HydrophobicContact CZ3-CB 3.58Å; W25-H44 AromaticContact NE1-CD2 3.79Å; H44-K46 VanDerWaalsContact C-N 3.29Å; H44-K46 PolarHBondContact O-N 2.84Å; H44-K46 VanDerWaalsContact O-N 3.17Å; H44-S47 WeakPolarHBondContact CB-OG 3.32Å; H44-S47 PolarHBondContact ND1-N 3.47Å; H44-S47 PolarHBondContact ND1-OG 2.82Å; H44-S47 PolarHBondContact O-N 2.85Å; H44-G48 WeakPolarHBondContact O-CA 3.38Å; H44-G48 PolarHBondContact O-N 2.68Å; H44-Q49 HydrophobicContact CB-CB 4.33Å; H44-Q49 PolarHBondContact N-O 2.68Å
45	P	87.8	Confident	93.8	Very high	17 Å²	17	65.6 Å²	65.6	11%	0.11	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33	-170.3	-26.8	34.3	0	0	0	115.2	F21 S24 V26 T43 V64 T66	F21-P45 HydrophobicContact CB-CB 4.23Å; F21-P45 HydrophobicContact CB-CG 3.9Å; F21-P45 WeakPolarHBondContact O-CB 3.23Å; F21-P45 VanDerWaalsContact O-CG 3.25Å; F21-P45 WeakPolarHBondContact O-CG 3.36Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å; S24-P45 WeakPolarHBondContact O-CG 3.24Å; V26-P45 HydrophobicContact CG2-CG 4.01Å; T43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-V64 HydrophobicContact CB-CB 4.43Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CG-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG2 4.35Å; P45-T66 HydrophobicContact CB-CG2 3.91Å
46	K	85.9	Confident	93.9	Very high	168 Å²	168	61.5 Å²	61.5	73%	0.73	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-39.3	-175.8	-176.2	-179.3	-179.7	-178.4	0	113.3	H44	H44-K46 VanDerWaalsContact C-N 3.29Å; H44-K46 PolarHBondContact O-N 2.84Å; H44-K46 VanDerWaalsContact O-N 3.17Å
47	S	88.7	Confident	93.9	Very high	75 Å²	75	64.7 Å²	64.7	52%	0.524	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.5	-178.2	58.4	0	0	0	0	112.6	H44 Q49	H44-S47 WeakPolarHBondContact CB-OG 3.32Å; H44-S47 PolarHBondContact ND1-N 3.47Å; H44-S47 PolarHBondContact ND1-OG 2.82Å; H44-S47 PolarHBondContact O-N 2.85Å; S47-Q49 PolarHBondContact O-N 2.78Å; S47-Q49 WeakPolarHBondContact OG-CB 3.37Å; S47-Q49 PolarHBondContact OG-N 2.82Å
48	G	87.9	Confident	93.9	Very high	49 Å²	49	62.5 Å²	62.5	51%	0.505	33%	0.325	S	S	.	.			trans	66.6	10.9	-171.1	0	0	0	0	0	113.2	H44	H44-G48 WeakPolarHBondContact O-CA 3.38Å; H44-G48 PolarHBondContact O-N 2.68Å
49	Q	92.9	Very high	93.9	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	33%	0.325	S	S	.	.			trans	-65.2	138.3	177.4	-172.7	179.1	-4.1	0	0	109.4	W25 T43 H44 S47	W25-Q49 HydrophobicContact CH2-CB 3.83Å; W25-Q49 HydrophobicContact CH2-CG 3.74Å; W25-Q49 HydrophobicContact CZ3-CB 4.38Å; W25-Q49 HydrophobicContact CZ3-CG 4.45Å; T43-Q49 CarbonylContact C-O 3.55Å; T43-Q49 VanDerWaalsContact CA-O 3.28Å; T43-Q49 WeakPolarHBondContact CA-O 3.28Å; H44-Q49 HydrophobicContact CB-CB 4.33Å; H44-Q49 PolarHBondContact N-O 2.68Å; S47-Q49 PolarHBondContact O-N 2.78Å; S47-Q49 WeakPolarHBondContact OG-CB 3.37Å; S47-Q49 PolarHBondContact OG-N 2.82Å
50	I	95.6	Very high	94	Very high	60 Å²	60	58.6 Å²	58.6	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.6	178.7	-53.9	172.7	0	0	0	108.6	E42 Y52 L62	E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.19Å; E42-I50 WeakPolarHBondContact O-CG2 3.13Å; I50-Y52 HydrophobicContact CB-CE2 4.08Å; I50-Y52 HydrophobicContact CG2-CD2 3.8Å; I50-Y52 HydrophobicContact CG2-CE1 4.13Å; I50-Y52 HydrophobicContact CG2-CE2 3.26Å; I50-Y52 HydrophobicContact CG2-CG 4.42Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-L62 WeakPolarHBondContact CD1-O 3.37Å; I50-L62 HydrophobicContact CG2-CB 4.24Å; I50-L62 HydrophobicContact CG2-CD1 4.12Å; I50-L62 HydrophobicContact CG2-CG 4.43Å
51	N	96.2	Very high	94	Very high	55 Å²	55	62.2 Å²	62.2	29%	0.294	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.8	169.5	-54.7	-44.5	0	0	0	108.4	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.21Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.47Å; E42-N51 HydrophobicContact CG-CB 3.92Å; E42-N51 PolarHBondContact N-O 2.91Å; E42-N51 PolarHBondContact O-N 3.07Å; E42-N51 PolarHBondContact OE1-ND2 3.06Å
52	Y	97.3	Very high	94	Very high	66 Å²	66	62.3 Å²	62.3	26%	0.259	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.5	-179.6	-72.8	-81.2	0	0	0	110.7	I50 A60 L62	I50-Y52 HydrophobicContact CB-CE2 4.08Å; I50-Y52 HydrophobicContact CG2-CD2 3.8Å; I50-Y52 HydrophobicContact CG2-CE1 4.13Å; I50-Y52 HydrophobicContact CG2-CE2 3.26Å; I50-Y52 HydrophobicContact CG2-CG 4.42Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CG 3.84Å; Y52-L62 PolarHBondContact OH-N 2.92Å
53	N	97.2	Very high	94	Very high	45 Å²	45	63.3 Å²	63.3	24%	0.241	34%	0.341	C	S	.	.			trans	-73.2	129.9	152.9	-178.2	-24.7	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.74Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 WeakPolarHBondContact O-CB 3.46Å; W39-N53 PolarHBondContact O-ND2 3.14Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 3.25Å; N53-K55 PolarHBondContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.35Å; N53-F56 HydrophobicContact CB-CD2 3.94Å; N53-F56 PolarHBondContact O-N 3.31Å; N53-K57 PolarHBondContact O-N 2.88Å
54	E	96.3	Very high	93.9	Very high	128 Å²	128	64.7 Å²	64.7	60%	0.598	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-55.3	-29.4	-177.8	-70.1	-63	142.2	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 3.48Å; E54-K57 PolarHBondContact O-N 2.91Å; E54-K57 IonicContact OE1-NZ 3.91Å; E54-K57 PolarHBondContact OE1-NZ 2.92Å; E54-K57 WeakPolarHBondContact OE2-CD 3.42Å; E54-K57 IonicContact OE2-NZ 2.68Å; E54-K57 PolarHBondContact OE2-NZ 3.06Å
55	K	94.6	Very high	93.9	Very high	155 Å²	155	65.8 Å²	65.8	67%	0.674	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.6	174.6	-68.4	-175.3	179.6	-178.8	0	114.2	N53	N53-K55 PolarHBondContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.35Å
56	F	96.4	Very high	93.9	Very high	9 Å²	9	68.3 Å²	68.3	4%	0.039	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-107.6	-2.6	-174.6	-65.6	-85	0	0	0	112.9	K30 E38 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.81Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; K30-F56 HydrophobicContact CG-CE1 4.34Å; K30-F56 HydrophobicContact CG-CZ 4.06Å; E38-F56 HydrophobicContact CB-CE2 4.35Å; E38-F56 HydrophobicContact CB-CZ 4.21Å; I40-F56 HydrophobicContact CB-CD1 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.39Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 3.97Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 3.91Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.13Å; I40-F56 HydrophobicContact CG1-CZ 4.01Å; I40-F56 HydrophobicContact CG2-CB 3.89Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CG 4Å; N53-F56 HydrophobicContact CB-CD2 3.94Å; N53-F56 PolarHBondContact O-N 3.31Å; E54-F56 PolarHBondContact O-N 3.48Å; F56-G58 PolarHBondContact O-N 2.82Å; F56-K59 WeakPolarHBondContact O-CA 3.48Å; F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 3.09Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.45Å
57	K	94.5	Very high	94	Very high	121 Å²	121	65.4 Å²	65.4	53%	0.526	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-63	124.4	175.7	-161	174.1	-170.1	171.4	0	109.4	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 2.91Å; E54-K57 IonicContact OE1-NZ 3.91Å; E54-K57 PolarHBondContact OE1-NZ 2.92Å; E54-K57 WeakPolarHBondContact OE2-CD 3.42Å; E54-K57 IonicContact OE2-NZ 2.68Å; E54-K57 PolarHBondContact OE2-NZ 3.06Å; K57-K59 PolarHBondContact O-N 2.82Å
58	G	94.2	Very high	94	Very high	69 Å²	69	63.8 Å²	63.8	71%	0.711	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-17.9	-173.1	0	0	0	0	0	115	F56 S76	F56-G58 PolarHBondContact O-N 2.82Å; G58-S76 PolarHBondContact O-OG 2.01Å
59	K	96.5	Very high	93.9	Very high	41 Å²	41	62.3 Å²	62.3	18%	0.178	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-37.5	173.3	-173.6	64	173.9	-173.1	0	112.5	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CA 3.48Å; F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 3.09Å; K57-K59 PolarHBondContact O-N 2.82Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; K59-S76 VanDerWaalsContact CD-O 3.3Å; K59-S76 WeakPolarHBondContact CD-O 3.46Å; K59-S76 WeakPolarHBondContact CE-O 3.09Å; K59-S76 PolarHBondContact NZ-O 3.35Å; K59-S76 PolarHBondContact O-N 3.17Å; K59-S76 PolarHBondContact O-OG 3.06Å; K59-S77 PolarHBondContact NZ-O 3.1Å; K59-D82 VanDerWaalsContact CE-CG 3.43Å; K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD1 3.95Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	97.9	Very high	93.9	Very high	2 Å²	2	58 Å²	58	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.3	-178.2	0	0	0	0	0	110.8	I40 Y52 F56 V73 D74 L75	I40-A60 HydrophobicContact CG2-CB 3.61Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.45Å; A60-V73 HydrophobicContact CB-CG2 3.95Å; A60-D74 CarbonylContact C-O 3.56Å; A60-D74 WeakPolarHBondContact CA-O 3.39Å; A60-L75 HydrophobicContact CB-CD2 4.07Å
61	T	97.9	Very high	93.7	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.9	167.6	-60.2	0	0	0	0	108.6	T63 V73 D74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-V73 WeakPolarHBondContact O-CA 3.38Å; T61-D74 PolarHBondContact N-O 3.3Å; T61-D74 PolarHBondContact O-N 3.14Å
62	L	97	Very high	93.7	Very high	2 Å²	2	55 Å²	55	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.2	-179	-52.2	-173.6	0	0	0	110.4	W28 I40 G41 T43 I50 Y52 V73	W28-L62 HydrophobicContact CB-CD2 4.34Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; I40-L62 HydrophobicContact CG2-CD2 4.42Å; G41-L62 VanDerWaalsContact C-CD1 3.43Å; T43-L62 HydrophobicContact CG2-CB 4.32Å; I50-L62 WeakPolarHBondContact CD1-O 3.37Å; I50-L62 HydrophobicContact CG2-CB 4.24Å; I50-L62 HydrophobicContact CG2-CD1 4.12Å; I50-L62 HydrophobicContact CG2-CG 4.43Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CG 3.84Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-V73 HydrophobicContact CD2-CB 3.85Å; L62-V73 HydrophobicContact CD2-CG2 3.59Å
63	T	94.3	Very high	93.7	Very high	53 Å²	53	51.9 Å²	51.9	33%	0.325	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.8	176.1	57.7	0	0	0	0	111.6	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-A71 CarbonylContact O-C 3.56Å; T63-A71 WeakPolarHBondContact O-CA 2.82Å; T63-Y72 PolarHBondContact N-O 3.29Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 2.92Å
64	V	91.9	Very high	93.7	Very high	35 Å²	35	52 Å²	52	21%	0.212	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130	173.1	-175.1	0	0	0	0	109.3	F21 V26 T43 P45 T66 A71	F21-V64 HydrophobicContact CB-CG1 4.02Å; F21-V64 HydrophobicContact CD2-CG1 4.11Å; F21-V64 HydrophobicContact CG-CG1 4.23Å; V26-V64 HydrophobicContact CG2-CG2 4.39Å; T43-V64 HydrophobicContact CG2-CG2 3.33Å; P45-V64 HydrophobicContact CB-CB 4.43Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CG-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG2 4.35Å; V64-T66 HydrophobicContact CG1-CG2 4.3Å; V64-A71 HydrophobicContact CG2-CB 4.12Å
65	D	90.6	Very high	93.8	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104	164.8	175.6	6.8	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.98Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.94Å; D65-S68 PolarHBondContact OD1-N 3.25Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.95Å; D65-S69 WeakPolarHBondContact O-CA 3.44Å; D65-S69 PolarHBondContact O-N 3.31Å; D65-T70 PolarHBondContact N-O 3.29Å; D65-T70 PolarHBondContact O-N 3.18Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å
66	T	87.9	Confident	94	Very high	70 Å²	70	40.5 Å²	40.5	43%	0.429	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.7	-179.6	52.4	0	0	0	0	112.4	P45 V64 S69	P45-T66 HydrophobicContact CB-CG2 3.91Å; V64-T66 HydrophobicContact CG1-CG2 4.3Å; T66-S69 PolarHBondContact O-N 2.88Å
67	S	87.8	Confident	94	Very high	107 Å²	107	43.5 Å²	43.5	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-41.7	-179.6	75.9	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.98Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.94Å
68	S	88.9	Confident	94.1	Very high	40 Å²	40	37.8 Å²	37.8	28%	0.28	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.7	176.4	68.5	0	0	0	0	113.5	D65 T70	D65-S68 PolarHBondContact OD1-N 3.25Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.95Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-OG1 2.78Å; S68-T70 WeakPolarHBondContact OG-CB 3.5Å; S68-T70 PolarHBondContact OG-OG1 2.96Å
69	S	87	Confident	94.3	Very high	18 Å²	18	37.4 Å²	37.4	13%	0.126	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	55.4	-168.3	-65.6	0	0	0	0	111.5	A16 S20 F21 D65 T66	A16-S69 PolarHBondContact N-O 3.23Å; S20-S69 WeakPolarHBondContact CA-OG 3.34Å; F21-S69 VanDerWaalsContact CD2-O 3.27Å; F21-S69 WeakPolarHBondContact CD2-O 3.43Å; F21-S69 WeakPolarHBondContact CE2-O 3.44Å; F21-S69 PolarHBondContact N-OG 2.9Å; D65-S69 WeakPolarHBondContact O-CA 3.44Å; D65-S69 PolarHBondContact O-N 3.31Å; T66-S69 PolarHBondContact O-N 2.88Å
70	T	91.3	Very high	94.3	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	177.8	-48.1	0	0	0	0	110.5	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.46Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; K15-T70 HydrophobicContact CB-CG2 4.36Å; D65-T70 PolarHBondContact N-O 3.29Å; D65-T70 PolarHBondContact O-N 3.18Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-OG1 2.78Å; S68-T70 WeakPolarHBondContact OG-CB 3.5Å; S68-T70 PolarHBondContact OG-OG1 2.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.18Å; T70-Y72 WeakPolarHBondContact O-CE2 2.97Å
71	A	92.7	Very high	94.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.3	169.2	0	0	0	0	0	109.9	S13 C14 F21 V26 W28 T63 V64	S13-A71 CarbonylContact C-O 3.49Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; C14-A71 HydrophobicContact CB-CB 4.41Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 3.5Å; F21-A71 HydrophobicContact CE1-CB 4.38Å; F21-A71 HydrophobicContact CE2-CB 4Å; F21-A71 VanDerWaalsContact CE2-N 3.3Å; F21-A71 HydrophobicContact CZ-CB 3.73Å; V26-A71 HydrophobicContact CB-CB 4.36Å; V26-A71 HydrophobicContact CG1-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 4.42Å; T63-A71 CarbonylContact O-C 3.56Å; T63-A71 WeakPolarHBondContact O-CA 2.82Å; V64-A71 HydrophobicContact CG2-CB 4.12Å
72	Y	95.4	Very high	94.1	Very high	53 Å²	53	42.6 Å²	42.6	21%	0.208	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.1	179.4	-52.5	-92.1	0	0	0	111.4	K11 L12 S13 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.22Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.18Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; L12-Y72 WeakPolarHBondContact O-CB 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; T63-Y72 PolarHBondContact N-O 3.29Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 2.92Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.18Å; T70-Y72 WeakPolarHBondContact O-CE2 2.97Å
73	V	97.5	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.6	161.7	60.9	0	0	0	0	108.8	L12 W28 A60 T61 L62 L75	L12-V73 HydrophobicContact CB-CG1 3.82Å; L12-V73 HydrophobicContact CD1-CG1 4.17Å; L12-V73 HydrophobicContact CG-CG1 4.31Å; L12-V73 PolarHBondContact N-O 2.96Å; L12-V73 PolarHBondContact O-N 3.39Å; W28-V73 HydrophobicContact CD2-CB 3.79Å; W28-V73 HydrophobicContact CD2-CG1 3.62Å; W28-V73 HydrophobicContact CE3-CB 4.11Å; W28-V73 HydrophobicContact CE3-CG1 3.39Å; W28-V73 HydrophobicContact CG-CB 4.15Å; W28-V73 HydrophobicContact CG-CG1 4.38Å; W28-V73 HydrophobicContact CH2-CB 4.49Å; W28-V73 HydrophobicContact CH2-CG1 3.75Å; W28-V73 HydrophobicContact CZ2-CB 4.22Å; W28-V73 HydrophobicContact CZ2-CG1 3.98Å; W28-V73 HydrophobicContact CZ3-CB 4.44Å; W28-V73 HydrophobicContact CZ3-CG1 3.46Å; W28-V73 VanDerWaalsContact CZ3-CG1 3.46Å; A60-V73 HydrophobicContact CB-CG2 3.95Å; T61-V73 WeakPolarHBondContact O-CA 3.38Å; L62-V73 HydrophobicContact CD2-CB 3.85Å; L62-V73 HydrophobicContact CD2-CG2 3.59Å; V73-L75 HydrophobicContact CG2-CD2 3.76Å; V73-L75 HydrophobicContact CG2-CG 4.11Å
74	D	98.1	Very high	94.3	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.262	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.8	171	-72.6	-80.1	0	0	0	108	K11 A60 T61	K11-D74 WeakPolarHBondContact CB-OD1 3.27Å; K11-D74 WeakPolarHBondContact CD-OD1 3.08Å; K11-D74 WeakPolarHBondContact CE-OD2 3.49Å; K11-D74 WeakPolarHBondContact CG-OD1 3.4Å; K11-D74 IonicContact NZ-OD2 2.78Å; K11-D74 PolarHBondContact NZ-OD2 3.03Å; A60-D74 CarbonylContact C-O 3.56Å; A60-D74 WeakPolarHBondContact CA-O 3.39Å; T61-D74 PolarHBondContact N-O 3.3Å; T61-D74 PolarHBondContact O-N 3.14Å
75	L	98.1	Very high	94.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	179.4	-60.3	168.5	0	0	0	109.4	S9 V10 L12 K59 A60 V73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.21Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; V10-L75 PolarHBondContact N-O 3.07Å; V10-L75 PolarHBondContact O-N 2.91Å; L12-L75 HydrophobicContact CD1-CD1 4.17Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; A60-L75 HydrophobicContact CB-CD2 4.07Å; V73-L75 HydrophobicContact CG2-CD2 3.76Å; V73-L75 HydrophobicContact CG2-CG 4.11Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 3.9Å; L75-Y86 HydrophobicContact CD1-CE1 3.42Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.42Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; L75-Y86 HydrophobicContact CD1-CG 4.48Å; L75-Y86 HydrophobicContact CD2-CE1 4.09Å; L75-Y86 HydrophobicContact CG-CE1 4.4Å
76	S	97.6	Very high	94.9	Very high	37 Å²	37	39.2 Å²	39.2	26%	0.259	24%	0.239	S	C	.	.			trans	-93.8	147.4	-175.1	63.5	0	0	0	0	113	S9 G58 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.44Å; G58-S76 PolarHBondContact O-OG 2.01Å; K59-S76 VanDerWaalsContact CD-O 3.3Å; K59-S76 WeakPolarHBondContact CD-O 3.46Å; K59-S76 WeakPolarHBondContact CE-O 3.09Å; K59-S76 PolarHBondContact NZ-O 3.35Å; K59-S76 PolarHBondContact O-N 3.17Å; K59-S76 PolarHBondContact O-OG 3.06Å; S76-L78 PolarHBondContact O-N 2.87Å
77	S	97	Very high	95.3	Very high	72 Å²	72	38.2 Å²	38.2	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	46.9	56.1	166.5	-56.4	0	0	0	0	113.7	S9 K59	S9-S77 PolarHBondContact OG-N 2.76Å; K59-S77 PolarHBondContact NZ-O 3.1Å
78	L	97.6	Very high	95.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.197	C	C	.	.			trans	-62	139.8	-170.2	-69.9	178	0	0	0	113	V4 P6 G7 V8 V10 L75 S76 D82 V108 V110	V4-L78 HydrophobicContact CG2-CD1 3.83Å; P6-L78 CarbonylContact C-O 3.47Å; P6-L78 WeakPolarHBondContact CA-O 3.41Å; G7-L78 PolarHBondContact N-O 3.24Å; V8-L78 WeakPolarHBondContact O-CB 3.18Å; V8-L78 WeakPolarHBondContact O-CG 3.12Å; V8-L78 PolarHBondContact O-N 3.29Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG2-CD1 3.54Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 PolarHBondContact O-N 2.87Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V108 HydrophobicContact CD1-CG1 4.15Å; L78-V110 HydrophobicContact CB-CG1 4.38Å; L78-V110 HydrophobicContact CB-CG2 3.92Å; L78-V110 HydrophobicContact CD1-CG2 4.28Å
79	T	97.2	Very high	95.6	Very high	61 Å²	61	32.5 Å²	32.5	37%	0.374	19%	0.188	S	C	.	.			trans	-116.7	171.1	173.7	71.3	0	0	0	0	110.2	E81 D82 V110	T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-E81 PolarHBondContact OG1-N 3.04Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; T79-V110 WeakPolarHBondContact O-CB 2.85Å; T79-V110 VanDerWaalsContact O-CG2 3.32Å; T79-V110 WeakPolarHBondContact O-CG2 3.37Å
80	S	96.3	Very high	95.6	Very high	86 Å²	86	34 Å²	34	60%	0.601	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.1	-32.5	175.6	51	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.04Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.91Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	94.8	Very high	95.2	Very high	132 Å²	132	35.5 Å²	35.5	62%	0.617	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-68.2	-14.1	177.5	-60	-172.2	171.2	0	0	114.3	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.78Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 2.76Å; R32-E81 PolarHBondContact NH2-O 3Å; T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-E81 PolarHBondContact OG1-N 3.04Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	96.9	Very high	94.2	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-87.2	-3.4	174.9	-61.5	-50.7	0	0	0	112.6	K30 K59 L78 T79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 3.69Å; K59-D82 VanDerWaalsContact CE-CG 3.43Å; K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.28Å; K59-D82 IonicContact NZ-OD1 3.95Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; S80-D82 PolarHBondContact O-N 3.04Å; D82-A84 PolarHBondContact O-N 2.9Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.96Å; D82-V110 HydrophobicContact CB-CG2 4.44Å
83	S	97.9	Very high	92.8	Very high	33 Å²	33	38.1 Å²	38.1	23%	0.231	22%	0.224	C	C	.	.			trans	-64.9	112.8	173	-58.8	0	0	0	0	110.4	S80 E81 V108 V110	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.91Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V108 CarbonylContact C-O 3.58Å; S83-V108 VanDerWaalsContact CA-O 3.26Å; S83-V108 WeakPolarHBondContact CA-O 3.31Å; S83-V110 PolarHBondContact OG-N 2.87Å
84	A	97.9	Very high	91.1	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	170.3	-172.5	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 T107 V108	K30-A84 HydrophobicContact CB-CB 4.03Å; K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 4.47Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; R32-A84 HydrophobicContact CG-CB 4.24Å; D82-A84 PolarHBondContact O-N 2.9Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-T107 WeakPolarHBondContact O-CA 3.43Å; A84-V108 PolarHBondContact N-O 3.3Å; A84-V108 PolarHBondContact O-N 2.9Å
85	V	97.9	Very high	89.3	Confident	32 Å²	32	46.1 Å²	46.1	19%	0.194	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.4	160.7	-170.5	0	0	0	0	108.4	K30 Q31 Y87	K30-V85 CarbonylContact C-O 3.51Å; K30-V85 WeakPolarHBondContact CA-O 3.31Å; Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 3.14Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.69Å; V85-Y87 HydrophobicContact CG1-CE2 3.72Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.4Å
86	Y	97.6	Very high	87.5	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	178.3	-69.9	-99.3	0	0	0	109.7	L12 A29 K30 I40 L75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.21Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; A29-Y86 WeakPolarHBondContact O-CA 3.39Å; K30-Y86 HydrophobicContact CB-CD1 3.82Å; K30-Y86 HydrophobicContact CB-CE1 3.67Å; K30-Y86 HydrophobicContact CB-CG 4.35Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å; I40-Y86 HydrophobicContact CD1-CD1 3.84Å; I40-Y86 HydrophobicContact CD1-CE1 3.94Å; L75-Y86 HydrophobicContact CD1-CD1 3.9Å; L75-Y86 HydrophobicContact CD1-CE1 3.42Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.42Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; L75-Y86 HydrophobicContact CD1-CG 4.48Å; L75-Y86 HydrophobicContact CD2-CE1 4.09Å; L75-Y86 HydrophobicContact CG-CE1 4.4Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.96Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.44Å; Y86-T106 PolarHBondContact N-O 2.98Å; Y86-T106 PolarHBondContact O-N 2.61Å; Y86-V108 HydrophobicContact CD2-CB 4Å; Y86-V108 HydrophobicContact CD2-CG2 3.68Å; Y86-V108 HydrophobicContact CE2-CB 3.78Å; Y86-V108 HydrophobicContact CE2-CG2 3.88Å
87	Y	95.9	Very high	86	Confident	50 Å²	50	63.4 Å²	63.4	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.7	-178.1	-57.1	-84.7	0	0	0	110.3	W28 A29 Q31 L37 V85 V101 A104	W28-Y87 WeakPolarHBondContact CA-O 3.15Å; A29-Y87 PolarHBondContact N-O 3.07Å; A29-Y87 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.48Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.07Å; L37-Y87 HydrophobicContact CD2-CD2 3.73Å; L37-Y87 HydrophobicContact CD2-CE2 4Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.69Å; V85-Y87 HydrophobicContact CG1-CE2 3.72Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.4Å; Y87-V101 HydrophobicContact CD1-CG1 4.31Å; Y87-A104 WeakPolarHBondContact CE1-O 3.43Å
88	C	93.5	Very high	84.8	Confident	14 Å²	14	65.8 Å²	65.8	10%	0.095	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.3	164.3	59.9	0	0	0	0	109.4	C14 H27 W28 W102	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.83Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 2.91Å; W28-C88 HydrophobicContact CD2-CB 4.2Å; W28-C88 HydrophobicContact CE3-CB 4.07Å; W28-C88 HydrophobicContact CH2-CB 4.07Å; W28-C88 HydrophobicContact CZ2-CB 4.17Å; W28-C88 HydrophobicContact CZ3-CB 4.01Å; C88-W102 PolarHBondContact O-N 3.02Å
89	A	90.6	Very high	83.8	Confident	12 Å²	12	71.4 Å²	71.4	10%	0.099	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.5	175.6	0	0	0	0	0	110.9	V26 H27 F99 D100 V101	V26-A89 CarbonylContact C-O 3.52Å; V26-A89 WeakPolarHBondContact CA-O 3.05Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 2.79Å; A89-F99 HydrophobicContact CB-CB 4.01Å; A89-F99 HydrophobicContact CB-CD1 4.36Å; A89-F99 HydrophobicContact CB-CG 4.44Å; A89-D100 CarbonylContact C-O 3.58Å; A89-D100 WeakPolarHBondContact CA-O 3.18Å; A89-D100 WeakPolarHBondContact CB-O 3.13Å; A89-V101 HydrophobicContact CB-CG2 4.37Å
90	R	86.6	Confident	82.8	Confident	49 Å²	49	71 Å²	71	19%	0.185	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.7	167.5	162.5	-176.4	177.9	-160.3	8.6	110.8	S24 W25 S92 F99 D100 W102	S24-R90 PolarHBondContact OG-NE 2.85Å; S24-R90 PolarHBondContact OG-NH2 3.17Å; S24-R90 VanDerWaalsContact OG-NH2 3.07Å; W25-R90 WeakPolarHBondContact O-CA 3.27Å; R90-S92 PolarHBondContact O-N 3.47Å; R90-F99 WeakPolarHBondContact O-CA 3.42Å; R90-D100 PolarHBondContact N-O 2.97Å; R90-D100 PolarHBondContact O-N 3.43Å; R90-W102 HydrophobicContact CB-CD2 4.3Å; R90-W102 HydrophobicContact CB-CH2 3.65Å; R90-W102 HydrophobicContact CB-CZ2 2.94Å; R90-W102 HydrophobicContact CG-CH2 4.25Å; R90-W102 HydrophobicContact CG-CZ2 3.62Å
91	E	82	Confident	81.8	Confident	42 Å²	42	71.1 Å²	71.1	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	115	159.9	-172.2	179.7	-169.4	0	0	110	S24 W25 H27 R97 F99	S24-E91 VanDerWaalsContact CB-O 3.27Å; S24-E91 WeakPolarHBondContact CB-O 3.4Å; S24-E91 PolarHBondContact OG-O 2.85Å; W25-E91 HydrophobicContact CB-CB 4.1Å; W25-E91 PolarHBondContact O-N 3.41Å; H27-E91 WeakPolarHBondContact NE2-CB 3.48Å; E91-R97 WeakPolarHBondContact OE1-CD 3.41Å; E91-R97 IonicContact OE1-NE 3.47Å; E91-R97 PolarHBondContact OE1-NE 2.86Å; E91-F99 HydrophobicContact CB-CE1 4.37Å
92	S	73	Confident	80.8	Confident	17 Å²	17	67 Å²	67	12%	0.119	33%	0.334	C	S	.	.			trans	-69.5	133.9	172.3	-174.9	0	0	0	0	110.1	R90 Y98	R90-S92 PolarHBondContact O-N 3.47Å; S92-Y98 PolarHBondContact N-O 3.23Å; S92-Y98 VanDerWaalsContact N-O 3.1Å; S92-Y98 PolarHBondContact OG-OH 2.99Å
93	S	65.1	Low	79.9	Confident	90 Å²	90	68.7 Å²	68.7	63%	0.629	36%	0.355	S	S	*	.			trans	-93.7	96.8	175.9	57.1	0	0	0	0	109.8
94	G	62.7	Low	79.4	Confident	52 Å²	52	71.8 Å²	71.8	54%	0.536	38%	0.382	S	S	.	.	S	Bend	trans	-161.2	-171.6	175.3	0	0	0	0	0	111.1	Y96	G94-Y96 PolarHBondContact O-N 3.38Å
95	D	59.6	Low	79.2	Confident	165 Å²	165	73 Å²	73	88%	0.882	40%	0.395	S	S	*	.	S	Bend	trans	-62	-15.5	-178.7	-68.6	-34.9	0	0	0	113.9
96	Y	60.9	Low	79.1	Confident	187 Å²	187	73.7 Å²	73.7	73%	0.733	40%	0.399	S	S	*	.	S	Bend	trans	-124.3	123.2	175.3	-60.3	-80.4	0	0	0	110.1	G94 Y98	G94-Y96 PolarHBondContact O-N 3.38Å; Y96-Y98 VanDerWaalsContact O-CD1 3.28Å; Y96-Y98 WeakPolarHBondContact O-CD1 3.38Å; Y96-Y98 PolarHBondContact O-N 3.23Å
97	R	66.1	Low	79.1	Confident	216 Å²	216	76.4 Å²	76.4	82%	0.815	42%	0.417	S	S	*	.			trans	-77.5	109.6	170.9	-70.9	-174	175.3	104.3	3.1	109.4	E91	E91-R97 WeakPolarHBondContact OE1-CD 3.41Å; E91-R97 IonicContact OE1-NE 3.47Å; E91-R97 PolarHBondContact OE1-NE 2.86Å
98	Y	70.6	Confident	79.2	Confident	122 Å²	122	74 Å²	74	48%	0.478	41%	0.407	S	S	.	.			trans	-134.6	157.5	170.5	62.5	-86.4	0	0	0	110.8	S92 Y96 D100	S92-Y98 PolarHBondContact N-O 3.23Å; S92-Y98 VanDerWaalsContact N-O 3.1Å; S92-Y98 PolarHBondContact OG-OH 2.99Å; Y96-Y98 VanDerWaalsContact O-CD1 3.28Å; Y96-Y98 WeakPolarHBondContact O-CD1 3.38Å; Y96-Y98 PolarHBondContact O-N 3.23Å; Y98-D100 WeakPolarHBondContact CE2-OD1 3.2Å
99	F	76.8	Confident	79.5	Confident	120 Å²	120	76.1 Å²	76.1	53%	0.526	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.7	178	-68.9	-55.7	0	0	0	110.6	H27 A89 R90 E91 V101	H27-F99 HydrophobicContact CB-CE1 4.39Å; H27-F99 AromaticContact CD2-CD1 3.85Å; H27-F99 AromaticContact CD2-CE1 3.41Å; H27-F99 VanDerWaalsContact CD2-CE1 3.41Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.42Å; H27-F99 AromaticContact CE1-CE1 3.46Å; H27-F99 VanDerWaalsContact CE1-CE1 3.46Å; H27-F99 WeakPolarHBondContact CE1-CE1 3.5Å; H27-F99 AromaticContact CE1-CZ 3.95Å; H27-F99 AromaticContact CG-CE1 3.51Å; H27-F99 AromaticContact ND1-CE1 3.53Å; H27-F99 AromaticContact ND1-CZ 3.86Å; H27-F99 AromaticContact NE2-CE1 3.42Å; H27-F99 WeakPolarHBondContact NE2-CE1 3.34Å; A89-F99 HydrophobicContact CB-CB 4.01Å; A89-F99 HydrophobicContact CB-CD1 4.36Å; A89-F99 HydrophobicContact CB-CG 4.44Å; R90-F99 WeakPolarHBondContact O-CA 3.42Å; E91-F99 HydrophobicContact CB-CE1 4.37Å; F99-V101 PolarHBondContact O-N 3.44Å
100	D	75.3	Confident	79.8	Confident	53 Å²	53	76 Å²	76	28%	0.283	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.2	165.6	-72.1	-44.4	0	0	0	108	A89 R90 Y98 W102	A89-D100 CarbonylContact C-O 3.58Å; A89-D100 WeakPolarHBondContact CA-O 3.18Å; A89-D100 WeakPolarHBondContact CB-O 3.13Å; R90-D100 PolarHBondContact N-O 2.97Å; R90-D100 PolarHBondContact O-N 3.43Å; Y98-D100 WeakPolarHBondContact CE2-OD1 3.2Å; D100-W102 VanDerWaalsContact C-CD1 3.49Å; D100-W102 PolarHBondContact O-NE1 3.46Å; D100-W102 VanDerWaalsContact O-NE1 3.09Å
101	V	76.1	Confident	80.2	Confident	88 Å²	88	76.2 Å²	76.2	53%	0.533	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.5	177.1	-177.9	0	0	0	0	109.6	Y87 A89 F99 G103	Y87-V101 HydrophobicContact CD1-CG1 4.31Å; A89-V101 HydrophobicContact CB-CG2 4.37Å; F99-V101 PolarHBondContact O-N 3.44Å; V101-G103 WeakPolarHBondContact CG1-O 3.37Å; V101-G103 PolarHBondContact O-N 3.3Å
102	W	74.2	Confident	80.6	Confident	44 Å²	44	81.6 Å²	81.6	17%	0.167	47%	0.469	C	S	.	.			trans	-101.8	41.5	-166.3	-67.5	1.2	0	0	0	114.4	A16 Y19 F21 C88 R90 D100	A16-W102 HydrophobicContact CB-CE3 4.42Å; A16-W102 HydrophobicContact CB-CH2 4.39Å; A16-W102 HydrophobicContact CB-CZ3 3.71Å; Y19-W102 HydrophobicContact CD2-CH2 4.08Å; Y19-W102 HydrophobicContact CD2-CZ2 4.31Å; Y19-W102 HydrophobicContact CE1-CZ2 4.15Å; Y19-W102 HydrophobicContact CE2-CE3 4.34Å; Y19-W102 AromaticContact CE2-CH2 2.92Å; Y19-W102 HydrophobicContact CE2-CH2 2.92Å; Y19-W102 AromaticContact CE2-CZ2 3.2Å; Y19-W102 HydrophobicContact CE2-CZ2 3.2Å; Y19-W102 AromaticContact CE2-CZ3 3.42Å; Y19-W102 HydrophobicContact CE2-CZ3 3.42Å; Y19-W102 VanDerWaalsContact CE2-CZ3 3.42Å; Y19-W102 AromaticContact CZ-CE2 3.61Å; Y19-W102 AromaticContact CZ-CH2 3.26Å; Y19-W102 AromaticContact CZ-CZ2 3.08Å; Y19-W102 AromaticContact CZ-CZ3 3.56Å; Y19-W102 WeakPolarHBondContact OH-CH2 3.08Å; Y19-W102 WeakPolarHBondContact OH-CZ2 3.46Å; Y19-W102 WeakPolarHBondContact OH-CZ3 3.42Å; F21-W102 AromaticContact CD1-CH2 3.53Å; F21-W102 HydrophobicContact CD1-CH2 3.53Å; F21-W102 AromaticContact CD1-CZ3 3.57Å; F21-W102 HydrophobicContact CD1-CZ3 3.57Å; F21-W102 AromaticContact CE1-CE3 3.76Å; F21-W102 HydrophobicContact CE1-CE3 3.76Å; F21-W102 AromaticContact CE1-CH2 3.16Å; F21-W102 HydrophobicContact CE1-CH2 3.16Å; F21-W102 HydrophobicContact CE1-CZ2 4.44Å; F21-W102 AromaticContact CE1-CZ3 2.82Å; F21-W102 HydrophobicContact CE1-CZ3 2.82Å; F21-W102 AromaticContact CE2-CZ3 3.95Å; F21-W102 HydrophobicContact CE2-CZ3 3.95Å; F21-W102 HydrophobicContact CG-CZ3 4.41Å; F21-W102 AromaticContact CZ-CE3 3.7Å; F21-W102 HydrophobicContact CZ-CE3 3.7Å; F21-W102 AromaticContact CZ-CH2 3.9Å; F21-W102 HydrophobicContact CZ-CH2 3.9Å; F21-W102 AromaticContact CZ-CZ3 3.05Å; F21-W102 HydrophobicContact CZ-CZ3 3.05Å; C88-W102 PolarHBondContact O-N 3.02Å; R90-W102 HydrophobicContact CB-CD2 4.3Å; R90-W102 HydrophobicContact CB-CH2 3.65Å; R90-W102 HydrophobicContact CB-CZ2 2.94Å; R90-W102 HydrophobicContact CG-CH2 4.25Å; R90-W102 HydrophobicContact CG-CZ2 3.62Å; D100-W102 VanDerWaalsContact C-CD1 3.49Å; D100-W102 PolarHBondContact O-NE1 3.46Å; D100-W102 VanDerWaalsContact O-NE1 3.09Å
103	G	77.9	Confident	81	Confident	48 Å²	48	84.8 Å²	84.8	50%	0.495	49%	0.486	S	S	.	.	S	Bend	trans	145.2	179.5	175	0	0	0	0	0	112.2	V101 G105	V101-G103 WeakPolarHBondContact CG1-O 3.37Å; V101-G103 PolarHBondContact O-N 3.3Å; G103-G105 PolarHBondContact O-N 2.98Å; G103-G105 VanDerWaalsContact O-N 3.12Å
104	A	87.7	Confident	81.8	Confident	97 Å²	97	84.5 Å²	84.5	80%	0.802	48%	0.479	S	S	*	.	S	Bend	trans	-72.9	1.1	179.7	0	0	0	0	0	114	Y87	Y87-A104 WeakPolarHBondContact CE1-O 3.43Å
105	G	93.1	Very high	82.9	Confident	30 Å²	30	86.3 Å²	86.3	31%	0.309	48%	0.476	S	S	.	.			trans	76.5	170.1	-170.9	0	0	0	0	0	113.1	Y86 G103	Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.44Å; G103-G105 PolarHBondContact O-N 2.98Å; G103-G105 VanDerWaalsContact O-N 3.12Å
106	T	96.4	Very high	84.2	Confident	47 Å²	47	81.7 Å²	81.7	29%	0.288	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.7	177.5	-62.6	0	0	0	0	109.9	V2 L12 Y86 V108	V2-T106 HydrophobicContact CG2-CG2 3.92Å; L12-T106 HydrophobicContact CD2-CG2 3.99Å; Y86-T106 PolarHBondContact N-O 2.98Å; Y86-T106 PolarHBondContact O-N 2.61Å; T106-V108 PolarHBondContact O-N 3.47Å
107	T	97.8	Very high	85.7	Confident	62 Å²	62	75.1 Å²	75.1	38%	0.38	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.4	170.2	-45.4	0	0	0	0	109.9	S1 V2 A84	S1-T107 CarbonylContact C-O 3.36Å; S1-T107 WeakPolarHBondContact CA-O 3.24Å; S1-T107 WeakPolarHBondContact CB-O 3.38Å; V2-T107 PolarHBondContact N-O 3.49Å; A84-T107 WeakPolarHBondContact O-CA 3.43Å
108	V	98.1	Very high	87	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.9	166.4	179.3	0	0	0	0	107.9	V2 V4 L12 L78 S83 A84 Y86 T106 V110	V2-V108 HydrophobicContact CB-CG2 4.39Å; V2-V108 CarbonylContact O-C 3.5Å; V2-V108 WeakPolarHBondContact O-CA 3.33Å; V4-V108 HydrophobicContact CG2-CG1 4.39Å; L12-V108 HydrophobicContact CD1-CG2 3.98Å; L12-V108 HydrophobicContact CD2-CG2 4.04Å; L78-V108 HydrophobicContact CD1-CG1 4.15Å; S83-V108 CarbonylContact C-O 3.58Å; S83-V108 VanDerWaalsContact CA-O 3.26Å; S83-V108 WeakPolarHBondContact CA-O 3.31Å; A84-V108 PolarHBondContact N-O 3.3Å; A84-V108 PolarHBondContact O-N 2.9Å; Y86-V108 HydrophobicContact CD2-CB 4Å; Y86-V108 HydrophobicContact CD2-CG2 3.68Å; Y86-V108 HydrophobicContact CE2-CB 3.78Å; Y86-V108 HydrophobicContact CE2-CG2 3.88Å; T106-V108 PolarHBondContact O-N 3.47Å; V108-V110 HydrophobicContact CG1-CG2 4.33Å
109	T	98.1	Very high	88.2	Confident	57 Å²	57	61.7 Å²	61.7	35%	0.35	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.5	177.1	-56.9	0	0	0	0	108.7	V2 L3 V4	V2-T109 PolarHBondContact O-N 3.36Å; L3-T109 WeakPolarHBondContact CA-O 3.47Å; L3-T109 HydrophobicContact CD1-CG2 3.81Å; V4-T109 PolarHBondContact N-O 2.61Å
110	V	97.8	Very high	89.1	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.055	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.4	179.8	-171.2	0	0	0	0	108.4	V4 P6 L78 T79 D82 S83 V108	V4-V110 HydrophobicContact CG2-CB 4.34Å; V4-V110 HydrophobicContact CG2-CG1 4.39Å; V4-V110 HydrophobicContact CG2-CG2 3.82Å; V4-V110 WeakPolarHBondContact O-CA 3.25Å; P6-V110 HydrophobicContact CB-CG1 4.3Å; P6-V110 HydrophobicContact CG-CG1 4.09Å; L78-V110 HydrophobicContact CB-CG1 4.38Å; L78-V110 HydrophobicContact CB-CG2 3.92Å; L78-V110 HydrophobicContact CD1-CG2 4.28Å; T79-V110 WeakPolarHBondContact O-CB 2.85Å; T79-V110 VanDerWaalsContact O-CG2 3.32Å; T79-V110 WeakPolarHBondContact O-CG2 3.37Å; D82-V110 HydrophobicContact CB-CG2 4.44Å; S83-V110 PolarHBondContact OG-N 2.87Å; V108-V110 HydrophobicContact CG1-CG2 4.33Å
111	S	95.9	Very high	90.2	Very high	55 Å²	55	57.6 Å²	57.6	39%	0.385	40%	0.403	S	S	.	.			trans	-142.6	149	-178.5	66.3	0	0	0	0	111.8	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.33Å; V4-S111 PolarHBondContact O-N 2.96Å
112	S	89.4	Confident	91.5	Very high	154 Å²	154	54.8 Å²	54.8	100%	1.077	39%	0.392	S	S	*	.			trans	-73	0	175	57.9	0	0	0	0	112.6

Retrieved 112 of 112 residues in 37.5 ms (Link to these results)

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