A0A068LN03_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LN03, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 120 aa.

						>A0A068LN03_HUMAN|A0A068LN03
QVQLVESGGSVVQPGKSLRLSCAASGFTFSNYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSENTLYLQMNSLRADDTGVYYCARVVAPRQYYSDYWGQGTLVTVSS
					

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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	Q	84.4	Confident	96	Very high	203 Å²	203	66.1 Å²	66.1	95%	0.949	39%	0.394	S	S	*	.				0	139.3	0	-173	172.4	19.9	0	0	107.8
2	V	91.9	Very high	96	Very high	37 Å²	37	62.5 Å²	62.5	22%	0.224	37%	0.373	C	S	.	.			trans	-80.1	134.7	177.4	174.9	0	0	0	0	109.5	S25 F27 Y109	V2-S25 WeakPolarHBondContact CA-O 3.43Å; V2-F27 HydrophobicContact CG1-CD1 3.75Å; V2-F27 HydrophobicContact CG1-CE1 4.02Å; V2-Y109 HydrophobicContact CB-CD1 3.92Å; V2-Y109 HydrophobicContact CB-CD2 4.33Å; V2-Y109 HydrophobicContact CB-CE1 3.9Å; V2-Y109 HydrophobicContact CB-CE2 4.32Å; V2-Y109 HydrophobicContact CB-CG 4.14Å; V2-Y109 HydrophobicContact CG1-CD1 3.77Å; V2-Y109 HydrophobicContact CG1-CD2 3.73Å; V2-Y109 HydrophobicContact CG1-CE1 4.21Å; V2-Y109 HydrophobicContact CG1-CE2 4.17Å; V2-Y109 HydrophobicContact CG1-CG 3.51Å; V2-Y109 HydrophobicContact CG2-CD1 4.46Å; V2-Y109 HydrophobicContact CG2-CD2 4.31Å; V2-Y109 HydrophobicContact CG2-CE1 4.06Å; V2-Y109 HydrophobicContact CG2-CE2 3.89Å
3	Q	95.8	Very high	96.2	Very high	97 Å²	97	66 Å²	66	45%	0.453	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.8	175.8	-60.9	-177	-30.6	0	0	111.5	A24 S25	Q3-A24 WeakPolarHBondContact O-CA 3.38Å; Q3-S25 PolarHBondContact N-O 3.35Å; Q3-S25 PolarHBondContact O-N 3.31Å
4	L	97.9	Very high	96.3	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.052	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.6	171.9	-66.5	-179.1	0	0	0	106.7	A23 A24 F27 M34 C96 Y109 G111	L4-A23 WeakPolarHBondContact CA-O 3.45Å; L4-A24 HydrophobicContact CD2-CB 3.6Å; L4-F27 HydrophobicContact CD2-CE1 3.9Å; L4-F27 HydrophobicContact CD2-CZ 4.05Å; L4-M34 HydrophobicContact CD1-CE 4.19Å; L4-M34 HydrophobicContact CD2-CE 3.8Å; L4-C96 WeakPolarHBondContact CD1-O 3.47Å; L4-Y109 WeakPolarHBondContact CD1-O 3.34Å; L4-G111 VanDerWaalsContact O-CA 3.31Å; L4-G111 WeakPolarHBondContact O-CA 3.48Å
5	V	98.3	Very high	96.4	Very high	82 Å²	82	65.3 Å²	65.3	50%	0.497	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.5	-172.1	-177	0	0	0	0	109.8	C22 A23	V5-C22 VanDerWaalsContact O-CA 3.31Å; V5-C22 WeakPolarHBondContact O-CA 3.38Å; V5-A23 PolarHBondContact N-O 2.98Å; V5-A23 PolarHBondContact O-N 3.15Å
6	E	98.6	Very high	96.5	Very high	21 Å²	21	68.7 Å²	68.7	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.9	177.5	-60.1	92.8	156.5	0	0	113.4	S21 C22 W36 Y95 C96 G111 Q112 G113 T114	E6-S21 CarbonylContact C-O 3.52Å; E6-S21 VanDerWaalsContact CA-O 3.28Å; E6-S21 WeakPolarHBondContact CA-O 3.33Å; E6-C22 HydrophobicContact CG-CB 4.27Å; E6-W36 HydrophobicContact CB-CH2 4.37Å; E6-W36 HydrophobicContact CG-CH2 3.86Å; E6-W36 HydrophobicContact CG-CZ3 3.9Å; E6-Y95 VanDerWaalsContact OE1-CA 3.3Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.47Å; E6-C96 VanDerWaalsContact CD-SG 3.58Å; E6-C96 HydrophobicContact CG-CB 4.38Å; E6-C96 PolarHBondContact OE1-N 3.16Å; E6-C96 PolarHBondContact OE1-SG 3.14Å; E6-C96 VanDerWaalsContact OE1-SG 3.34Å; E6-G111 WeakPolarHBondContact OE1-CA 3.45Å; E6-G111 WeakPolarHBondContact OE2-CA 3.48Å; E6-Q112 PolarHBondContact OE2-N 3.05Å; E6-Q112 VanDerWaalsContact OE2-N 3.1Å; E6-G113 VanDerWaalsContact CD-N 3.32Å; E6-G113 PolarHBondContact OE1-N 3.18Å; E6-G113 PolarHBondContact OE2-N 3.43Å; E6-T114 HydrophobicContact CB-CG2 3.89Å
7	S	98.4	Very high	96.5	Very high	58 Å²	58	68.3 Å²	68.3	41%	0.406	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	168.6	172.9	60.2	0	0	0	0	112	L20 S21	S7-L20 WeakPolarHBondContact O-CA 3.39Å; S7-S21 PolarHBondContact N-O 3.1Å; S7-S21 PolarHBondContact O-N 3.24Å; S7-S21 PolarHBondContact OG-OG 3.49Å
8	G	97.4	Very high	96.6	Very high	37 Å²	37	66 Å²	66	38%	0.381	39%	0.392	S	S	.	.			trans	94.2	-3.1	179.1	0	0	0	0	0	114.5	L18 L20	G8-L18 WeakPolarHBondContact O-CD1 3.35Å; G8-L18 WeakPolarHBondContact O-CD2 3.24Å; G8-L18 WeakPolarHBondContact O-CG 3.17Å; G8-L20 VanDerWaalsContact C-CD2 3.45Å
9	G	97.4	Very high	96.7	Very high	27 Å²	27	69.2 Å²	69.2	28%	0.278	40%	0.397	S	S	.	.			trans	-60.9	136.7	170.2	0	0	0	0	0	111.9	T114 L115	G9-T114 WeakPolarHBondContact CA-OG1 3.44Å; G9-T114 PolarHBondContact N-OG1 2.99Å; G9-L115 CarbonylContact C-O 3.52Å; G9-L115 VanDerWaalsContact C-O 3.26Å; G9-L115 WeakPolarHBondContact CA-O 3.3Å
10	S	97.4	Very high	96.8	Very high	63 Å²	63	65.8 Å²	65.8	44%	0.441	38%	0.377	S	S	.	.			trans	-162	172.7	-178.9	-166.6	0	0	0	0	111.3	L115 T117	S10-L115 PolarHBondContact N-O 3.12Å; S10-T117 PolarHBondContact O-N 2.75Å
11	V	97.9	Very high	96.9	Very high	92 Å²	92	63.8 Å²	63.8	56%	0.558	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	169	-175.1	0	0	0	0	108.9	T117	V11-T117 CarbonylContact C-O 3.55Å; V11-T117 WeakPolarHBondContact CA-O 3.47Å; V11-T117 HydrophobicContact CG1-CG2 4.41Å
12	V	97	Very high	97.6	Very high	23 Å²	23	54.1 Å²	54.1	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.7	179.8	-63.5	0	0	0	0	111.5	L18 L86 T117 V118 S119	V12-L18 HydrophobicContact CG1-CD1 4.16Å; V12-L86 HydrophobicContact CG2-CD1 3.59Å; V12-T117 PolarHBondContact N-O 2.76Å; V12-V118 HydrophobicContact CG2-CG2 4.1Å; V12-V118 VanDerWaalsContact O-CA 3.28Å; V12-V118 WeakPolarHBondContact O-CA 3.42Å; V12-S119 PolarHBondContact O-N 2.63Å; V12-S119 VanDerWaalsContact O-N 3.1Å
13	Q	97.6	Very high	97.9	Very high	108 Å²	108	54.5 Å²	54.5	51%	0.505	33%	0.329	S	S	.	.			trans	-74.8	152.3	174.3	-71.9	179.2	-10.2	0	0	111.8	K16 S119	Q13-K16 HydrophobicContact CB-CG 4.1Å; Q13-K16 VanDerWaalsContact O-CB 3.31Å; Q13-K16 WeakPolarHBondContact O-CB 3.41Å; Q13-K16 WeakPolarHBondContact O-CG 3.3Å; Q13-K16 PolarHBondContact O-N 3.2Å; Q13-S119 WeakPolarHBondContact CA-O 3.41Å
14	P	97.9	Very high	98	Very high	71 Å²	71	50.4 Å²	50.4	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	142.4	172.3	-25.4	33.5	0	0	0	112.8	K16 L86 V118	P14-K16 PolarHBondContact O-N 2.79Å; P14-L86 WeakPolarHBondContact CA-O 3.34Å; P14-V118 HydrophobicContact CB-CG1 4.36Å; P14-V118 HydrophobicContact CG-CG1 4.09Å
15	G	97.3	Very high	97.9	Very high	50 Å²	50	52.4 Å²	52.4	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-13.2	-178.7	0	0	0	0	0	114.9	L86	G15-L86 PolarHBondContact N-O 3.03Å
16	K	97.9	Very high	97.8	Very high	120 Å²	120	51.1 Å²	51.1	52%	0.522	33%	0.33	S	S	.	.			trans	-76.1	172.1	174.6	-59	-61.8	-176.7	179.8	0	111.8	Q13 P14 S85 L86	Q13-K16 HydrophobicContact CB-CG 4.1Å; Q13-K16 VanDerWaalsContact O-CB 3.31Å; Q13-K16 WeakPolarHBondContact O-CB 3.41Å; Q13-K16 WeakPolarHBondContact O-CG 3.3Å; Q13-K16 PolarHBondContact O-N 3.2Å; P14-K16 PolarHBondContact O-N 2.79Å; K16-S85 PolarHBondContact O-N 3.49Å; K16-L86 WeakPolarHBondContact O-CB 3.28Å; K16-L86 PolarHBondContact O-N 2.95Å
17	S	97.9	Very high	97.5	Very high	62 Å²	62	51.6 Å²	51.6	43%	0.434	33%	0.332	S	S	.	.			trans	-115.8	152.9	178.4	-59.6	0	0	0	0	111.6	M83 N84	S17-M83 CarbonylContact C-O 3.26Å; S17-M83 WeakPolarHBondContact CA-O 3.02Å; S17-M83 WeakPolarHBondContact CB-O 3.27Å; S17-N84 WeakPolarHBondContact CB-OD1 3.21Å; S17-N84 WeakPolarHBondContact OG-CA 3.42Å; S17-N84 PolarHBondContact OG-OD1 3.45Å
18	L	97.6	Very high	97.3	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.1	173.9	-168.2	68.6	0	0	0	109	G8 V12 L20 M83 L86 V116	G8-L18 WeakPolarHBondContact O-CD1 3.35Å; G8-L18 WeakPolarHBondContact O-CD2 3.24Å; G8-L18 WeakPolarHBondContact O-CG 3.17Å; V12-L18 HydrophobicContact CG1-CD1 4.16Å; L18-L20 HydrophobicContact CD2-CD2 3.85Å; L18-L20 HydrophobicContact CG-CD2 4.38Å; L18-M83 PolarHBondContact N-O 2.81Å; L18-M83 PolarHBondContact O-N 2.9Å; L18-L86 HydrophobicContact CB-CD1 3.87Å; L18-V116 HydrophobicContact CD2-CB 4.47Å; L18-V116 HydrophobicContact CD2-CG1 3.97Å; L18-V116 HydrophobicContact CD2-CG2 3.73Å
19	R	98.5	Very high	97.2	Very high	127 Å²	127	50.8 Å²	50.8	48%	0.479	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.6	169.8	-171.2	176	174.7	-176.8	-4.5	109.5	Y80 L81	R19-Y80 VanDerWaalsContact NH2-CD1 3.26Å; R19-L81 WeakPolarHBondContact CA-O 3.48Å
20	L	98.8	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.3	170.1	-54.9	-176.7	0	0	0	110	S7 G8 L18 W36 Y80 L81 M83 Y94 T114 V116	S7-L20 WeakPolarHBondContact O-CA 3.39Å; G8-L20 VanDerWaalsContact C-CD2 3.45Å; L18-L20 HydrophobicContact CD2-CD2 3.85Å; L18-L20 HydrophobicContact CG-CD2 4.38Å; L20-W36 HydrophobicContact CB-CH2 3.76Å; L20-W36 HydrophobicContact CB-CZ2 3.89Å; L20-W36 HydrophobicContact CB-CZ3 4.41Å; L20-W36 HydrophobicContact CD1-CE3 4.46Å; L20-W36 HydrophobicContact CD1-CH2 4.22Å; L20-W36 HydrophobicContact CD1-CZ3 4.03Å; L20-Y80 VanDerWaalsContact O-CA 3.29Å; L20-Y80 WeakPolarHBondContact O-CA 3.37Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 PolarHBondContact N-O 3.21Å; L20-L81 PolarHBondContact O-N 3.01Å; L20-M83 HydrophobicContact CD1-SD 3.59Å; L20-M83 VanDerWaalsContact CD1-SD 3.59Å; L20-M83 HydrophobicContact CD2-SD 4.5Å; L20-M83 HydrophobicContact CG-SD 3.66Å; L20-Y94 HydrophobicContact CD1-CD1 3.93Å; L20-Y94 HydrophobicContact CD1-CD2 4.31Å; L20-Y94 HydrophobicContact CD1-CG 3.69Å; L20-T114 HydrophobicContact CD1-CG2 4.12Å; L20-T114 HydrophobicContact CD2-CG2 3.9Å; L20-V116 HydrophobicContact CD1-CG2 4.14Å; L20-V116 HydrophobicContact CD2-CG2 3.91Å
21	S	98.8	Very high	96.9	Very high	25 Å²	25	53.3 Å²	53.3	18%	0.175	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.9	169.5	54.1	0	0	0	0	110.6	E6 S7 L79	E6-S21 CarbonylContact C-O 3.52Å; E6-S21 VanDerWaalsContact CA-O 3.28Å; E6-S21 WeakPolarHBondContact CA-O 3.33Å; S7-S21 PolarHBondContact N-O 3.1Å; S7-S21 PolarHBondContact O-N 3.24Å; S7-S21 PolarHBondContact OG-OG 3.49Å; S21-L79 CarbonylContact C-O 3.47Å; S21-L79 WeakPolarHBondContact CA-O 3.48Å
22	C	98.6	Very high	96.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	109.5	173.4	162.2	0	0	0	0	109.1	V5 E6 W36 T78 L79 C96	V5-C22 VanDerWaalsContact O-CA 3.31Å; V5-C22 WeakPolarHBondContact O-CA 3.38Å; E6-C22 HydrophobicContact CG-CB 4.27Å; C22-W36 HydrophobicContact CB-CH2 4.02Å; C22-W36 HydrophobicContact CB-CZ2 3.88Å; C22-T78 WeakPolarHBondContact O-CA 3.28Å; C22-L79 HydrophobicContact CB-CB 4.19Å; C22-L79 PolarHBondContact N-O 2.95Å; C22-L79 PolarHBondContact O-N 3.42Å; C22-C96 HydrophobicContact CB-CB 3.45Å; C22-C96 VanDerWaalsContact CB-CB 3.45Å; C22-C96 WeakPolarHBondContact CB-SG 3.3Å; C22-C96 WeakPolarHBondContact SG-CB 3.44Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.78Å
23	A	98.4	Very high	96.5	Very high	45 Å²	45	51.4 Å²	51.4	37%	0.372	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.1	176.7	0	0	0	0	0	109.8	L4 V5	L4-A23 WeakPolarHBondContact CA-O 3.45Å; V5-A23 PolarHBondContact N-O 2.98Å; V5-A23 PolarHBondContact O-N 3.15Å
24	A	97.6	Very high	96.4	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.6	-178.3	0	0	0	0	0	111.9	Q3 L4 F27 F29 N77	Q3-A24 WeakPolarHBondContact O-CA 3.38Å; L4-A24 HydrophobicContact CD2-CB 3.6Å; A24-F27 HydrophobicContact CB-CE1 3.82Å; A24-F27 HydrophobicContact CB-CZ 3.75Å; A24-F29 HydrophobicContact CB-CD2 3.54Å; A24-F29 HydrophobicContact CB-CE2 4.07Å; A24-F29 HydrophobicContact CB-CG 4.4Å; A24-N77 WeakPolarHBondContact CB-O 3.3Å; A24-N77 PolarHBondContact N-O 2.76Å; A24-N77 WeakPolarHBondContact O-CB 3.49Å
25	S	97	Very high	96.4	Very high	52 Å²	52	43.3 Å²	43.3	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.6	174.8	75.4	0	0	0	0	111.9	V2 Q3	V2-S25 WeakPolarHBondContact CA-O 3.43Å; Q3-S25 PolarHBondContact N-O 3.35Å; Q3-S25 PolarHBondContact O-N 3.31Å
26	G	95.3	Very high	96.4	Very high	56 Å²	56	41 Å²	41	58%	0.577	24%	0.235	S	C	*	.	S	Bend	trans	82.7	6.9	179.2	0	0	0	0	0	115.6
27	F	93.1	Very high	96.4	Very high	31 Å²	31	35.7 Å²	35.7	14%	0.136	21%	0.213	C	C	.	.	S	Bend	trans	-153.1	162.9	168.7	67.3	-79.1	0	0	0	111.1	V2 L4 A24 F29 Y32 M34 R98	V2-F27 HydrophobicContact CG1-CD1 3.75Å; V2-F27 HydrophobicContact CG1-CE1 4.02Å; L4-F27 HydrophobicContact CD2-CE1 3.9Å; L4-F27 HydrophobicContact CD2-CZ 4.05Å; A24-F27 HydrophobicContact CB-CE1 3.82Å; A24-F27 HydrophobicContact CB-CZ 3.75Å; F27-F29 HydrophobicContact CE2-CB 4.4Å; F27-F29 HydrophobicContact CE2-CD2 4.28Å; F27-F29 HydrophobicContact CZ-CD2 4.22Å; F27-F29 PolarHBondContact O-N 2.81Å; F27-Y32 AromaticContact CD2-CD2 3.59Å; F27-Y32 HydrophobicContact CD2-CD2 3.59Å; F27-Y32 AromaticContact CD2-CE2 3.96Å; F27-Y32 HydrophobicContact CD2-CE2 3.96Å; F27-Y32 HydrophobicContact CD2-CG 4.44Å; F27-Y32 AromaticContact CE2-CD2 3.99Å; F27-Y32 HydrophobicContact CE2-CD2 3.99Å; F27-Y32 HydrophobicContact CE2-CG 4.48Å; F27-M34 HydrophobicContact CE2-SD 4.45Å; F27-M34 HydrophobicContact CZ-CE 4.49Å; F27-M34 HydrophobicContact CZ-SD 4.23Å; F27-R98 HydrophobicContact CE2-CG 4.2Å; F27-R98 HydrophobicContact CZ-CG 4.43Å
28	T	94.4	Very high	96.4	Very high	78 Å²	78	33.3 Å²	33.3	48%	0.479	19%	0.194	S	C	.	.			trans	-74.1	95.1	174.2	-51.3	0	0	0	0	110.1	S30 N31 Y32	T28-S30 WeakPolarHBondContact CG2-OG 3.46Å; T28-S30 PolarHBondContact O-N 2.95Å; T28-N31 HydrophobicContact CG2-CB 4.46Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.91Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å
29	F	94.8	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.4	-36.1	-175.6	179.8	-102.4	0	0	0	113.7	A24 F27 N31 Y32 M34 R72 N77 L79	A24-F29 HydrophobicContact CB-CD2 3.54Å; A24-F29 HydrophobicContact CB-CE2 4.07Å; A24-F29 HydrophobicContact CB-CG 4.4Å; F27-F29 HydrophobicContact CE2-CB 4.4Å; F27-F29 HydrophobicContact CE2-CD2 4.28Å; F27-F29 HydrophobicContact CZ-CD2 4.22Å; F27-F29 PolarHBondContact O-N 2.81Å; F29-N31 PolarHBondContact O-N 2.79Å; F29-N31 VanDerWaalsContact O-N 3.16Å; F29-Y32 PolarHBondContact O-N 2.93Å; F29-M34 HydrophobicContact CD2-CG 4.28Å; F29-M34 HydrophobicContact CD2-SD 4.2Å; F29-M34 HydrophobicContact CE2-CE 4.15Å; F29-M34 HydrophobicContact CE2-CG 3.53Å; F29-M34 HydrophobicContact CE2-SD 3.91Å; F29-M34 HydrophobicContact CZ-CG 4Å; F29-R72 HydrophobicContact CE1-CB 4.13Å; F29-R72 HydrophobicContact CZ-CB 4.21Å; F29-R72 PolarHBondContact O-NH2 2.89Å; F29-R72 VanDerWaalsContact O-NH2 3.14Å; F29-N77 HydrophobicContact CB-CB 3.89Å; F29-N77 VanDerWaalsContact CB-OD1 3.3Å; F29-N77 WeakPolarHBondContact CB-OD1 3.14Å; F29-N77 HydrophobicContact CD1-CB 4.49Å; F29-N77 HydrophobicContact CG-CB 4.17Å; F29-L79 HydrophobicContact CE2-CB 4.43Å; F29-L79 HydrophobicContact CZ-CB 4.17Å
30	S	94.8	Very high	96.4	Very high	43 Å²	43	30 Å²	30	30%	0.301	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.3	-6.9	179.3	62.6	0	0	0	0	115.3	T28 Y53 N74	T28-S30 WeakPolarHBondContact CG2-OG 3.46Å; T28-S30 PolarHBondContact O-N 2.95Å; S30-Y53 WeakPolarHBondContact O-CB 3.36Å; S30-N74 WeakPolarHBondContact CA-OD1 3.32Å; S30-N74 WeakPolarHBondContact CB-OD1 3.28Å
31	N	92.9	Very high	96.2	Very high	100 Å²	100	35 Å²	35	54%	0.535	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-95.7	-7.8	178.6	-66.9	-2.7	0	0	0	112.9	T28 F29	T28-N31 HydrophobicContact CG2-CB 4.46Å; T28-N31 WeakPolarHBondContact O-CB 3.48Å; T28-N31 PolarHBondContact O-N 2.91Å; F29-N31 PolarHBondContact O-N 2.79Å; F29-N31 VanDerWaalsContact O-N 3.16Å
32	Y	93	Very high	96	Very high	73 Å²	73	38.2 Å²	38.2	29%	0.286	26%	0.255	S	S	.	.	S	Bend	trans	-127.8	144.1	-171.8	-60.4	-87.8	0	0	0	111.8	F27 T28 F29 Y53 R98 V99	F27-Y32 AromaticContact CD2-CD2 3.59Å; F27-Y32 HydrophobicContact CD2-CD2 3.59Å; F27-Y32 AromaticContact CD2-CE2 3.96Å; F27-Y32 HydrophobicContact CD2-CE2 3.96Å; F27-Y32 HydrophobicContact CD2-CG 4.44Å; F27-Y32 AromaticContact CE2-CD2 3.99Å; F27-Y32 HydrophobicContact CE2-CD2 3.99Å; F27-Y32 HydrophobicContact CE2-CG 4.48Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å; F29-Y32 PolarHBondContact O-N 2.93Å; Y32-Y53 WeakPolarHBondContact O-CA 3.37Å; Y32-Y53 WeakPolarHBondContact O-CB 3.49Å; Y32-R98 HydrophobicContact CD1-CG 4.03Å; Y32-R98 HydrophobicContact CG-CG 3.9Å; Y32-R98 VanDerWaalsContact CZ-NH1 3.31Å; Y32-V99 WeakPolarHBondContact CD1-O 3.45Å
33	G	94.2	Very high	95.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	28%	0.279	C	S	.	.			trans	-71.4	161.6	162.4	0	0	0	0	0	110.3	I51 V99	G33-I51 CarbonylContact C-O 3.58Å; G33-I51 WeakPolarHBondContact CA-O 3.37Å; G33-V99 WeakPolarHBondContact O-CB 3.5Å; G33-V99 VanDerWaalsContact O-CG2 3.27Å; G33-V99 WeakPolarHBondContact O-CG2 3.42Å; G33-V99 PolarHBondContact O-N 3.43Å
34	M	96.4	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.5	-178.7	-60.5	-64.4	-63.3	0	0	111.6	L4 F27 F29 V50 I51 L79 A97 R98	L4-M34 HydrophobicContact CD1-CE 4.19Å; L4-M34 HydrophobicContact CD2-CE 3.8Å; F27-M34 HydrophobicContact CE2-SD 4.45Å; F27-M34 HydrophobicContact CZ-CE 4.49Å; F27-M34 HydrophobicContact CZ-SD 4.23Å; F29-M34 HydrophobicContact CD2-CG 4.28Å; F29-M34 HydrophobicContact CD2-SD 4.2Å; F29-M34 HydrophobicContact CE2-CE 4.15Å; F29-M34 HydrophobicContact CE2-CG 3.53Å; F29-M34 HydrophobicContact CE2-SD 3.91Å; F29-M34 HydrophobicContact CZ-CG 4Å; M34-V50 WeakPolarHBondContact O-CA 3.28Å; M34-V50 WeakPolarHBondContact O-CG2 3.31Å; M34-I51 HydrophobicContact CB-CG2 4.46Å; M34-I51 PolarHBondContact N-O 2.88Å; M34-I51 PolarHBondContact O-N 2.78Å; M34-L79 HydrophobicContact CB-CD1 3.78Å; M34-L79 HydrophobicContact CB-CD2 3.67Å; M34-L79 HydrophobicContact CB-CG 4.25Å; M34-L79 HydrophobicContact CG-CD1 4.44Å; M34-A97 WeakPolarHBondContact CA-O 3.47Å; M34-R98 HydrophobicContact SD-CB 4.22Å; M34-R98 HydrophobicContact SD-CG 4.25Å
35	H	96.6	Very high	95.6	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	150.7	177.5	-73.1	-57.1	0	0	0	112.1	V37 W47 A49 V50 C96 A97 V99 S107	H35-V37 HydrophobicContact CB-CG2 4.29Å; H35-W47 AromaticContact CE1-NE1 3.35Å; H35-W47 PolarHBondContact CE1-NE1 2.93Å; H35-W47 AromaticContact ND1-CD1 3.65Å; H35-W47 AromaticContact ND1-NE1 3.01Å; H35-W47 PolarHBondContact ND1-NE1 3.36Å; H35-A49 WeakPolarHBondContact CA-O 3.33Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.19Å; H35-V50 VanDerWaalsContact ND1-CB 3.31Å; H35-V50 WeakPolarHBondContact ND1-CB 3.41Å; H35-V50 VanDerWaalsContact ND1-CG2 3.27Å; H35-V50 WeakPolarHBondContact ND1-CG2 3.15Å; H35-C96 VanDerWaalsContact O-CA 3.27Å; H35-C96 WeakPolarHBondContact O-CA 3.24Å; H35-A97 HydrophobicContact CB-CB 4.31Å; H35-A97 PolarHBondContact N-O 2.84Å; H35-A97 PolarHBondContact O-N 2.89Å; H35-V99 WeakPolarHBondContact NE2-CG2 3.16Å; H35-S107 PolarHBondContact CD2-OG 2.9Å
36	W	98.3	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.2	150.5	-80.6	101.2	0	0	0	109.2	E6 L20 C22 V48 A49 L79 L81 Y95 C96	E6-W36 HydrophobicContact CB-CH2 4.37Å; E6-W36 HydrophobicContact CG-CH2 3.86Å; E6-W36 HydrophobicContact CG-CZ3 3.9Å; L20-W36 HydrophobicContact CB-CH2 3.76Å; L20-W36 HydrophobicContact CB-CZ2 3.89Å; L20-W36 HydrophobicContact CB-CZ3 4.41Å; L20-W36 HydrophobicContact CD1-CE3 4.46Å; L20-W36 HydrophobicContact CD1-CH2 4.22Å; L20-W36 HydrophobicContact CD1-CZ3 4.03Å; C22-W36 HydrophobicContact CB-CH2 4.02Å; C22-W36 HydrophobicContact CB-CZ2 3.88Å; W36-V48 HydrophobicContact CB-CB 4.17Å; W36-V48 HydrophobicContact CB-CG1 4.5Å; W36-V48 WeakPolarHBondContact O-CB 3.42Å; W36-V48 PolarHBondContact O-N 3.01Å; W36-A49 PolarHBondContact N-O 3.4Å; W36-A49 PolarHBondContact O-N 2.64Å; W36-L79 HydrophobicContact CG-CD2 4.39Å; W36-L79 VanDerWaalsContact NE1-CD2 3.3Å; W36-L81 HydrophobicContact CB-CD2 4.19Å; W36-L81 HydrophobicContact CD2-CB 4.23Å; W36-L81 HydrophobicContact CD2-CD2 4.23Å; W36-L81 HydrophobicContact CG-CB 4.18Å; W36-L81 HydrophobicContact CG-CD1 4.47Å; W36-L81 HydrophobicContact CG-CD2 3.96Å; W36-L81 HydrophobicContact CG-CG 4.45Å; W36-L81 HydrophobicContact CZ2-CB 4.43Å; W36-Y95 WeakPolarHBondContact CA-O 3.31Å; W36-C96 HydrophobicContact CD2-CB 4.46Å; W36-C96 HydrophobicContact CE3-CB 4.37Å; W36-C96 HydrophobicContact CH2-CB 4.31Å; W36-C96 HydrophobicContact CZ2-CB 4.39Å; W36-C96 HydrophobicContact CZ3-CB 4.29Å
37	V	98	Very high	95.6	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.7	178.8	179.2	0	0	0	0	107.9	H35 L45 E46 Y94 Y95 W110	H35-V37 HydrophobicContact CB-CG2 4.29Å; V37-L45 HydrophobicContact CG1-CB 3.88Å; V37-L45 HydrophobicContact CG1-CD2 3.94Å; V37-L45 HydrophobicContact CG1-CG 4.41Å; V37-E46 CarbonylContact C-O 3.55Å; V37-E46 WeakPolarHBondContact CA-O 3.12Å; V37-E46 WeakPolarHBondContact CG1-O 3.3Å; V37-Y94 CarbonylContact O-C 3.51Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; V37-Y95 PolarHBondContact N-O 3.29Å; V37-Y95 PolarHBondContact O-N 2.7Å; V37-W110 HydrophobicContact CB-CH2 3.99Å; V37-W110 HydrophobicContact CB-CZ3 3.7Å; V37-W110 HydrophobicContact CG1-CH2 3.92Å; V37-W110 HydrophobicContact CG1-CZ3 3.83Å; V37-W110 HydrophobicContact CG2-CH2 3.7Å; V37-W110 HydrophobicContact CG2-CZ3 3.83Å
38	R	98.1	Very high	95.8	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.045	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.9	-178.9	176.7	179.1	71.8	-169	10.1	110.5	E46 V48 D89 D90 V93 Y94	R38-E46 IonicContact CZ-OE2 3.2Å; R38-E46 PolarHBondContact N-O 3.1Å; R38-E46 IonicContact NE-OE2 3.1Å; R38-E46 PolarHBondContact NE-OE2 2.84Å; R38-E46 IonicContact NH2-OE2 3.88Å; R38-E46 PolarHBondContact NH2-OE2 2.69Å; R38-E46 PolarHBondContact O-N 3.27Å; R38-V48 HydrophobicContact CB-CG2 3.59Å; R38-D89 PolarHBondContact NH1-O 2.82Å; R38-D89 PolarHBondContact NH2-O 2.86Å; R38-D90 IonicContact NH1-OD1 3.43Å; R38-D90 PolarHBondContact NH1-OD1 2.87Å; R38-D90 VanDerWaalsContact NH1-OD1 3.1Å; R38-V93 CarbonylContact C-O 3.53Å; R38-V93 WeakPolarHBondContact CA-O 3.38Å; R38-Y94 HydrophobicContact CB-CD1 4.18Å; R38-Y94 HydrophobicContact CB-CE1 4.03Å; R38-Y94 WeakPolarHBondContact CD-OH 3.29Å; R38-Y94 HydrophobicContact CG-CD2 4.35Å; R38-Y94 HydrophobicContact CG-CE1 4.17Å; R38-Y94 HydrophobicContact CG-CE2 3.95Å; R38-Y94 PolarHBondContact NH1-OH 2.99Å
39	Q	98.2	Very high	96	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.3	165.3	-167.2	174.8	25.1	0	0	109.6	K43 L45 G92 V93 Y95	Q39-K43 WeakPolarHBondContact CG-O 3.46Å; Q39-K43 PolarHBondContact NE2-O 3.2Å; Q39-L45 HydrophobicContact CB-CD2 4.1Å; Q39-G92 CarbonylContact O-C 3.5Å; Q39-G92 WeakPolarHBondContact O-CA 3.43Å; Q39-V93 PolarHBondContact N-O 3.1Å; Q39-V93 PolarHBondContact O-N 2.92Å; Q39-Y95 HydrophobicContact CB-CE2 3.87Å
40	A	96.7	Very high	96.1	Very high	9 Å²	9	45.7 Å²	45.7	7%	0.074	27%	0.266	C	S	.	.			trans	-77.8	154.8	172	0	0	0	0	0	110.7	G42 K43	A40-G42 PolarHBondContact O-N 2.87Å; A40-K43 HydrophobicContact CB-CB 4.18Å; A40-K43 HydrophobicContact CB-CD 4.02Å; A40-K43 HydrophobicContact CB-CG 4.19Å; A40-K43 PolarHBondContact O-N 2.97Å
41	P	94.8	Very high	96.2	Very high	105 Å²	105	43.7 Å²	43.7	68%	0.682	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	126.5	177.8	-25.9	34.7	0	0	0	112	K43	P41-K43 PolarHBondContact O-N 2.93Å
42	G	95.2	Very high	96.2	Very high	94 Å²	94	41.1 Å²	41.1	97%	0.969	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	8.1	-179.4	0	0	0	0	0	115.4	A40	A40-G42 PolarHBondContact O-N 2.87Å
43	K	94.7	Very high	96.2	Very high	116 Å²	116	43.3 Å²	43.3	50%	0.504	24%	0.244	S	C	.	.			trans	-113.6	163.9	177.6	-60.7	-163.9	-175.6	173.5	0	112.6	Q39 A40 P41 E46	Q39-K43 WeakPolarHBondContact CG-O 3.46Å; Q39-K43 PolarHBondContact NE2-O 3.2Å; A40-K43 HydrophobicContact CB-CB 4.18Å; A40-K43 HydrophobicContact CB-CD 4.02Å; A40-K43 HydrophobicContact CB-CG 4.19Å; A40-K43 PolarHBondContact O-N 2.97Å; P41-K43 PolarHBondContact O-N 2.93Å; K43-E46 WeakPolarHBondContact CD-OE1 3.35Å; K43-E46 IonicContact NZ-OE1 2.97Å
44	G	95.3	Very high	96	Very high	51 Å²	51	47.2 Å²	47.2	53%	0.526	26%	0.264	S	S	.	.			trans	-73.3	-177.1	169	0	0	0	0	0	112.8	E46	G44-E46 PolarHBondContact O-N 3.03Å
45	L	95.7	Very high	95.8	Very high	104 Å²	104	48.2 Å²	48.2	55%	0.545	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.3	174	-66.5	171.9	0	0	0	110.5	V37 Q39 Y95 W110	V37-L45 HydrophobicContact CG1-CB 3.88Å; V37-L45 HydrophobicContact CG1-CD2 3.94Å; V37-L45 HydrophobicContact CG1-CG 4.41Å; Q39-L45 HydrophobicContact CB-CD2 4.1Å; L45-Y95 HydrophobicContact CD2-CD2 4.31Å; L45-Y95 HydrophobicContact CD2-CE2 4.25Å; L45-W110 HydrophobicContact CD1-CH2 4.12Å; L45-W110 HydrophobicContact CD1-CZ3 4.41Å
46	E	96.1	Very high	95.6	Very high	55 Å²	55	51.1 Å²	51.1	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.5	177.2	-63.6	178.9	168.5	0	0	109	V37 R38 K43 G44	V37-E46 CarbonylContact C-O 3.55Å; V37-E46 WeakPolarHBondContact CA-O 3.12Å; V37-E46 WeakPolarHBondContact CG1-O 3.3Å; R38-E46 IonicContact CZ-OE2 3.2Å; R38-E46 PolarHBondContact N-O 3.1Å; R38-E46 IonicContact NE-OE2 3.1Å; R38-E46 PolarHBondContact NE-OE2 2.84Å; R38-E46 IonicContact NH2-OE2 3.88Å; R38-E46 PolarHBondContact NH2-OE2 2.69Å; R38-E46 PolarHBondContact O-N 3.27Å; K43-E46 WeakPolarHBondContact CD-OE1 3.35Å; K43-E46 IonicContact NZ-OE1 2.97Å; G44-E46 PolarHBondContact O-N 3.03Å
47	W	96.4	Very high	95.4	Very high	94 Å²	94	54.8 Å²	54.8	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.9	173.3	178.3	86.6	0	0	0	110.7	H35 V50 Y59 A61	H35-W47 AromaticContact CE1-NE1 3.35Å; H35-W47 PolarHBondContact CE1-NE1 2.93Å; H35-W47 AromaticContact ND1-CD1 3.65Å; H35-W47 AromaticContact ND1-NE1 3.01Å; H35-W47 PolarHBondContact ND1-NE1 3.36Å; W47-V50 HydrophobicContact CZ2-CB 3.92Å; W47-V50 HydrophobicContact CZ2-CG1 3.78Å; W47-Y59 VanDerWaalsContact CH2-C 3.5Å; W47-A61 HydrophobicContact CE3-CB 3.89Å; W47-A61 HydrophobicContact CZ3-CB 4.03Å; W47-A61 VanDerWaalsContact O-CB 3.3Å; W47-A61 WeakPolarHBondContact O-CB 3.34Å
48	V	97.8	Very high	95.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-54.6	-175.9	177.5	0	0	0	0	111.6	W36 R38 A61 V64 F68 L81 Y94	W36-V48 HydrophobicContact CB-CB 4.17Å; W36-V48 HydrophobicContact CB-CG1 4.5Å; W36-V48 WeakPolarHBondContact O-CB 3.42Å; W36-V48 PolarHBondContact O-N 3.01Å; R38-V48 HydrophobicContact CB-CG2 3.59Å; V48-A61 PolarHBondContact O-N 2.87Å; V48-V64 HydrophobicContact CG1-CG1 4.33Å; V48-V64 HydrophobicContact CG1-CG2 4.02Å; V48-F68 HydrophobicContact CG1-CD2 3.96Å; V48-F68 HydrophobicContact CG1-CE2 4.38Å; V48-L81 HydrophobicContact CG1-CD2 4.15Å; V48-Y94 HydrophobicContact CG2-CE1 4.29Å
49	A	97.8	Very high	95.2	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	160.9	-177.3	0	0	0	0	0	112	H35 W36 Y59 Y60 I70 L81	H35-A49 WeakPolarHBondContact CA-O 3.33Å; W36-A49 PolarHBondContact N-O 3.4Å; W36-A49 PolarHBondContact O-N 2.64Å; A49-Y59 CarbonylContact C-O 3.55Å; A49-Y59 WeakPolarHBondContact CA-O 3.37Å; A49-Y59 WeakPolarHBondContact CB-O 3.12Å; A49-Y60 HydrophobicContact CB-CD1 3.77Å; A49-Y60 HydrophobicContact CB-CE1 4.13Å; A49-I70 HydrophobicContact CB-CB 4.15Å; A49-I70 HydrophobicContact CB-CD1 3.97Å; A49-I70 HydrophobicContact CB-CG2 4.29Å; A49-L81 HydrophobicContact CB-CD1 4.42Å
50	V	96.8	Very high	95.2	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.4	169.8	72.8	0	0	0	0	110.8	M34 H35 W47 K58 Y59 V99	M34-V50 WeakPolarHBondContact O-CA 3.28Å; M34-V50 WeakPolarHBondContact O-CG2 3.31Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.19Å; H35-V50 VanDerWaalsContact ND1-CB 3.31Å; H35-V50 WeakPolarHBondContact ND1-CB 3.41Å; H35-V50 VanDerWaalsContact ND1-CG2 3.27Å; H35-V50 WeakPolarHBondContact ND1-CG2 3.15Å; W47-V50 HydrophobicContact CZ2-CB 3.92Å; W47-V50 HydrophobicContact CZ2-CG1 3.78Å; V50-K58 VanDerWaalsContact O-CA 3.31Å; V50-K58 WeakPolarHBondContact O-CA 3.27Å; V50-Y59 HydrophobicContact CG1-CD2 3.65Å; V50-Y59 HydrophobicContact CG1-CG 4.22Å; V50-Y59 PolarHBondContact N-O 3.03Å; V50-Y59 PolarHBondContact O-N 2.92Å; V50-V99 HydrophobicContact CG2-CG2 3.93Å
51	I	96.7	Very high	95.3	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.5	169.8	-174	163.8	0	0	0	109.4	G33 M34 N57 K58 I70 R72 L79	G33-I51 CarbonylContact C-O 3.58Å; G33-I51 WeakPolarHBondContact CA-O 3.37Å; M34-I51 HydrophobicContact CB-CG2 4.46Å; M34-I51 PolarHBondContact N-O 2.88Å; M34-I51 PolarHBondContact O-N 2.78Å; I51-N57 WeakPolarHBondContact CA-O 3.36Å; I51-K58 HydrophobicContact CB-CG 4.43Å; I51-K58 HydrophobicContact CD1-CD 4.21Å; I51-K58 HydrophobicContact CD1-CG 4.12Å; I51-K58 HydrophobicContact CG1-CG 4Å; I51-I70 HydrophobicContact CB-CD1 3.97Å; I51-I70 HydrophobicContact CB-CG1 4.11Å; I51-I70 HydrophobicContact CB-CG2 3.96Å; I51-I70 HydrophobicContact CG2-CD1 3.63Å; I51-I70 HydrophobicContact CG2-CG1 3.84Å; I51-R72 HydrophobicContact CD1-CB 4.35Å; I51-R72 HydrophobicContact CD1-CG 3.75Å; I51-R72 HydrophobicContact CG1-CG 4.37Å; I51-L79 HydrophobicContact CG2-CD1 3.43Å; I51-L79 VanDerWaalsContact CG2-CD1 3.43Å
52	W	94	Very high	95.4	Very high	45 Å²	45	65.1 Å²	65.1	17%	0.17	35%	0.353	C	S	.	.			trans	-76.2	165.1	178.4	-74.5	87.9	0	0	0	112.6	D54 G55 N57 Y59 R72 V99 P102	W52-D54 PolarHBondContact O-N 3.01Å; W52-D54 VanDerWaalsContact O-N 3.11Å; W52-G55 WeakPolarHBondContact O-CA 3.5Å; W52-G55 PolarHBondContact O-N 3.4Å; W52-N57 HydrophobicContact CB-CB 4.15Å; W52-N57 HydrophobicContact CG-CB 3.83Å; W52-N57 PolarHBondContact N-O 3.31Å; W52-Y59 AromaticContact NE1-CE2 3.68Å; W52-R72 WeakPolarHBondContact O-CD 3.21Å; W52-V99 HydrophobicContact CH2-CG1 3.86Å; W52-V99 HydrophobicContact CZ3-CG1 4.11Å; W52-P102 HydrophobicContact CH2-CB 3.57Å; W52-P102 HydrophobicContact CH2-CG 4.22Å; W52-P102 HydrophobicContact CZ2-CB 4.16Å; W52-P102 HydrophobicContact CZ3-CB 3.87Å; W52-P102 HydrophobicContact CZ3-CG 4.04Å
53	Y	92.6	Very high	95.4	Very high	120 Å²	120	63.8 Å²	63.8	47%	0.471	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.6	-171.4	71.2	-96.6	0	0	0	114.6	S30 Y32 R72	S30-Y53 WeakPolarHBondContact O-CB 3.36Å; Y32-Y53 WeakPolarHBondContact O-CA 3.37Å; Y32-Y53 WeakPolarHBondContact O-CB 3.49Å; Y53-R72 VanDerWaalsContact O-CZ 3.31Å; Y53-R72 PolarHBondContact O-NH1 3.35Å; Y53-R72 PolarHBondContact O-NH2 3.02Å
54	D	89.9	Confident	95.6	Very high	83 Å²	83	58.3 Å²	58.3	44%	0.444	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.2	175	64	-8.7	0	0	0	112.2	W52 S56	W52-D54 PolarHBondContact O-N 3.01Å; W52-D54 VanDerWaalsContact O-N 3.11Å; D54-S56 PolarHBondContact O-N 3.43Å; D54-S56 PolarHBondContact OD1-N 2.99Å; D54-S56 PolarHBondContact OD1-OG 3.43Å; D54-S56 WeakPolarHBondContact OD2-CB 3.32Å; D54-S56 PolarHBondContact OD2-OG 2.79Å
55	G	92.5	Very high	95.6	Very high	21 Å²	21	62.6 Å²	62.6	22%	0.216	31%	0.309	C	S	.	.	S	Bend	trans	75.2	-0.4	-176.7	0	0	0	0	0	115.5	W52 K58	W52-G55 WeakPolarHBondContact O-CA 3.5Å; W52-G55 PolarHBondContact O-N 3.4Å; G55-K58 VanDerWaalsContact O-CE 3.3Å; G55-K58 WeakPolarHBondContact O-CE 3.43Å
56	S	91.3	Very high	95.7	Very high	71 Å²	71	61.6 Å²	61.6	50%	0.497	32%	0.323	S	S	.	.			trans	-72.1	-44.5	-172.6	66.9	0	0	0	0	112.1	D54	D54-S56 PolarHBondContact O-N 3.43Å; D54-S56 PolarHBondContact OD1-N 2.99Å; D54-S56 PolarHBondContact OD1-OG 3.43Å; D54-S56 WeakPolarHBondContact OD2-CB 3.32Å; D54-S56 PolarHBondContact OD2-OG 2.79Å
57	N	94.1	Very high	95.8	Very high	76 Å²	76	60.1 Å²	60.1	41%	0.406	32%	0.316	S	S	.	.			trans	-102.1	128.1	-175.9	-73.5	-46.5	0	0	0	110.4	I51 W52 Y59	I51-N57 WeakPolarHBondContact CA-O 3.36Å; W52-N57 HydrophobicContact CB-CB 4.15Å; W52-N57 HydrophobicContact CG-CB 3.83Å; W52-N57 PolarHBondContact N-O 3.31Å; N57-Y59 HydrophobicContact CB-CE2 4.13Å
58	K	96.8	Very high	95.9	Very high	89 Å²	89	55.9 Å²	55.9	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.3	179.6	-57.5	177.4	-169.3	-175	0	109.5	V50 I51 G55 Y60 I70	V50-K58 VanDerWaalsContact O-CA 3.31Å; V50-K58 WeakPolarHBondContact O-CA 3.27Å; I51-K58 HydrophobicContact CB-CG 4.43Å; I51-K58 HydrophobicContact CD1-CD 4.21Å; I51-K58 HydrophobicContact CD1-CG 4.12Å; I51-K58 HydrophobicContact CG1-CG 4Å; G55-K58 VanDerWaalsContact O-CE 3.3Å; G55-K58 WeakPolarHBondContact O-CE 3.43Å; K58-Y60 HydrophobicContact CB-CE2 4Å; K58-I70 HydrophobicContact CB-CG2 4.2Å; K58-I70 HydrophobicContact CD-CG2 4.23Å; K58-I70 HydrophobicContact CG-CG2 4.2Å; K58-I70 PolarHBondContact NZ-O 2.92Å
59	Y	96.8	Very high	96	Very high	127 Å²	127	58.9 Å²	58.9	50%	0.498	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.2	175.2	-53.4	-92.4	0	0	0	109.7	W47 A49 V50 W52 N57	W47-Y59 VanDerWaalsContact CH2-C 3.5Å; A49-Y59 CarbonylContact C-O 3.55Å; A49-Y59 WeakPolarHBondContact CA-O 3.37Å; A49-Y59 WeakPolarHBondContact CB-O 3.12Å; V50-Y59 HydrophobicContact CG1-CD2 3.65Å; V50-Y59 HydrophobicContact CG1-CG 4.22Å; V50-Y59 PolarHBondContact N-O 3.03Å; V50-Y59 PolarHBondContact O-N 2.92Å; W52-Y59 AromaticContact NE1-CE2 3.68Å; N57-Y59 HydrophobicContact CB-CE2 4.13Å
60	Y	98.2	Very high	96	Very high	55 Å²	55	58.9 Å²	58.9	22%	0.216	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.8	-175.2	-59	-87.8	0	0	0	109.7	A49 K58 F68 I70	A49-Y60 HydrophobicContact CB-CD1 3.77Å; A49-Y60 HydrophobicContact CB-CE1 4.13Å; K58-Y60 HydrophobicContact CB-CE2 4Å; Y60-F68 VanDerWaalsContact CE1-O 3.25Å; Y60-F68 WeakPolarHBondContact CE1-O 3.31Å; Y60-I70 HydrophobicContact CE1-CB 4.17Å; Y60-I70 HydrophobicContact CE1-CG2 3.81Å; Y60-I70 PolarHBondContact OH-N 2.93Å; Y60-I70 VanDerWaalsContact OH-N 3.12Å
61	A	97.4	Very high	96.1	Very high	15 Å²	15	60.3 Å²	60.3	12%	0.124	33%	0.328	C	S	.	.			trans	-66.2	146.7	169.2	0	0	0	0	0	110.2	W47 V48 S63 V64 K65	W47-A61 HydrophobicContact CE3-CB 3.89Å; W47-A61 HydrophobicContact CZ3-CB 4.03Å; W47-A61 VanDerWaalsContact O-CB 3.3Å; W47-A61 WeakPolarHBondContact O-CB 3.34Å; V48-A61 PolarHBondContact O-N 2.87Å; A61-S63 PolarHBondContact O-N 2.82Å; A61-S63 VanDerWaalsContact O-N 3.15Å; A61-V64 HydrophobicContact CB-CG2 4.24Å; A61-V64 WeakPolarHBondContact O-CG2 3.4Å; A61-V64 PolarHBondContact O-N 2.94Å; A61-K65 PolarHBondContact O-N 2.78Å
62	D	97.3	Very high	96.1	Very high	142 Å²	142	61.9 Å²	61.9	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.6	-177.7	-69.5	-32.9	0	0	0	112.5	V64	D62-V64 PolarHBondContact O-N 3.06Å
63	S	95.8	Very high	96.3	Very high	66 Å²	66	62.2 Å²	62.2	46%	0.462	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.1	177.3	56.9	0	0	0	0	114.3	A61 R67	A61-S63 PolarHBondContact O-N 2.82Å; A61-S63 VanDerWaalsContact O-N 3.15Å; S63-R67 PolarHBondContact O-NH2 3.28Å
64	V	97.8	Very high	96.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-7.4	-175.9	-57.2	0	0	0	0	113.5	V48 A61 D62 G66 R67 F68	V48-V64 HydrophobicContact CG1-CG1 4.33Å; V48-V64 HydrophobicContact CG1-CG2 4.02Å; A61-V64 HydrophobicContact CB-CG2 4.24Å; A61-V64 WeakPolarHBondContact O-CG2 3.4Å; A61-V64 PolarHBondContact O-N 2.94Å; D62-V64 PolarHBondContact O-N 3.06Å; V64-G66 PolarHBondContact O-N 3.05Å; V64-R67 PolarHBondContact O-N 3.2Å; V64-F68 HydrophobicContact CB-CB 4.06Å; V64-F68 HydrophobicContact CB-CD1 4.31Å; V64-F68 HydrophobicContact CB-CD2 3.62Å; V64-F68 HydrophobicContact CB-CE2 4.06Å; V64-F68 HydrophobicContact CB-CG 3.75Å; V64-F68 HydrophobicContact CG1-CD2 3.64Å; V64-F68 HydrophobicContact CG1-CE2 3.57Å; V64-F68 HydrophobicContact CG1-CG 4.21Å; V64-F68 HydrophobicContact CG1-CZ 4.07Å; V64-F68 HydrophobicContact CG2-CB 4.3Å; V64-F68 HydrophobicContact CG2-CD2 4.16Å; V64-F68 HydrophobicContact CG2-CG 4.41Å; V64-F68 PolarHBondContact O-N 2.87Å
65	K	96.8	Very high	96.8	Very high	141 Å²	141	60.8 Å²	60.8	61%	0.613	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	132.3	-178.1	-166.6	173.3	-175.7	177.2	0	110.9	A61 R67	A61-K65 PolarHBondContact O-N 2.78Å; K65-R67 PolarHBondContact O-N 3.24Å
66	G	97.3	Very high	97	Very high	83 Å²	83	64.9 Å²	64.9	86%	0.856	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-7	-176.6	0	0	0	0	0	115.1	V64	V64-G66 PolarHBondContact O-N 3.05Å
67	R	98.2	Very high	97.3	Very high	25 Å²	25	64.4 Å²	64.4	9%	0.094	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-40	177.1	-61.6	-169	-58.8	116.7	0.5	112.3	S63 V64 K65 N84 S85 D90	S63-R67 PolarHBondContact O-NH2 3.28Å; V64-R67 PolarHBondContact O-N 3.2Å; K65-R67 PolarHBondContact O-N 3.24Å; R67-N84 WeakPolarHBondContact CB-O 3.25Å; R67-N84 VanDerWaalsContact O-CB 3.29Å; R67-N84 WeakPolarHBondContact O-CB 3.29Å; R67-N84 PolarHBondContact O-N 3.35Å; R67-N84 PolarHBondContact O-ND2 3.01Å; R67-S85 PolarHBondContact NH1-O 2.91Å; R67-D90 IonicContact CZ-OD1 3.87Å; R67-D90 IonicContact CZ-OD2 3.4Å; R67-D90 IonicContact NH1-OD1 3.2Å; R67-D90 IonicContact NH1-OD2 2.69Å; R67-D90 PolarHBondContact NH1-OD2 3.43Å; R67-D90 IonicContact NH2-OD1 3.9Å; R67-D90 PolarHBondContact NH2-OD1 2.98Å; R67-D90 IonicContact NH2-OD2 2.79Å; R67-D90 PolarHBondContact NH2-OD2 2.92Å
68	F	98.5	Very high	97.5	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146	-177.1	-67.2	12.1	0	0	0	110.6	V48 Y60 V64 L81 Q82 M83 L86 D90 Y94	V48-F68 HydrophobicContact CG1-CD2 3.96Å; V48-F68 HydrophobicContact CG1-CE2 4.38Å; Y60-F68 VanDerWaalsContact CE1-O 3.25Å; Y60-F68 WeakPolarHBondContact CE1-O 3.31Å; V64-F68 HydrophobicContact CB-CB 4.06Å; V64-F68 HydrophobicContact CB-CD1 4.31Å; V64-F68 HydrophobicContact CB-CD2 3.62Å; V64-F68 HydrophobicContact CB-CE2 4.06Å; V64-F68 HydrophobicContact CB-CG 3.75Å; V64-F68 HydrophobicContact CG1-CD2 3.64Å; V64-F68 HydrophobicContact CG1-CE2 3.57Å; V64-F68 HydrophobicContact CG1-CG 4.21Å; V64-F68 HydrophobicContact CG1-CZ 4.07Å; V64-F68 HydrophobicContact CG2-CB 4.3Å; V64-F68 HydrophobicContact CG2-CD2 4.16Å; V64-F68 HydrophobicContact CG2-CG 4.41Å; V64-F68 PolarHBondContact O-N 2.87Å; F68-L81 HydrophobicContact CB-CD1 4.25Å; F68-L81 HydrophobicContact CD2-CD2 4.1Å; F68-L81 HydrophobicContact CD2-CG 4.43Å; F68-Q82 CarbonylContact C-O 3.55Å; F68-Q82 VanDerWaalsContact CA-O 3.24Å; F68-Q82 WeakPolarHBondContact CA-O 2.99Å; F68-M83 HydrophobicContact CD1-CB 3.93Å; F68-M83 HydrophobicContact CD1-CG 4.19Å; F68-M83 HydrophobicContact CD2-CG 3.91Å; F68-M83 HydrophobicContact CE1-CB 3.76Å; F68-M83 HydrophobicContact CE1-CG 4.13Å; F68-M83 HydrophobicContact CE2-CB 4.36Å; F68-M83 HydrophobicContact CE2-CE 3.89Å; F68-M83 HydrophobicContact CE2-CG 3.83Å; F68-M83 HydrophobicContact CE2-SD 4.45Å; F68-M83 HydrophobicContact CG-CB 4.35Å; F68-M83 HydrophobicContact CG-CG 4.11Å; F68-M83 HydrophobicContact CZ-CB 3.99Å; F68-M83 HydrophobicContact CZ-CE 3.78Å; F68-M83 HydrophobicContact CZ-CG 3.96Å; F68-L86 HydrophobicContact CE1-CD2 3.89Å; F68-L86 HydrophobicContact CZ-CD2 3.73Å; F68-D90 HydrophobicContact CZ-CB 4.19Å; F68-Y94 HydrophobicContact CE2-CE1 4.35Å
69	T	98.6	Very high	97.6	Very high	65 Å²	65	57.3 Å²	57.3	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.9	178.6	-56.2	0	0	0	0	109.5	Q82	T69-Q82 PolarHBondContact N-O 2.99Å; T69-Q82 PolarHBondContact O-N 2.8Å
70	I	98.7	Very high	97.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.6	173.9	-165.6	170.7	0	0	0	109.5	A49 I51 K58 Y60 L79 Y80 L81	A49-I70 HydrophobicContact CB-CB 4.15Å; A49-I70 HydrophobicContact CB-CD1 3.97Å; A49-I70 HydrophobicContact CB-CG2 4.29Å; I51-I70 HydrophobicContact CB-CD1 3.97Å; I51-I70 HydrophobicContact CB-CG1 4.11Å; I51-I70 HydrophobicContact CB-CG2 3.96Å; I51-I70 HydrophobicContact CG2-CD1 3.63Å; I51-I70 HydrophobicContact CG2-CG1 3.84Å; K58-I70 HydrophobicContact CB-CG2 4.2Å; K58-I70 HydrophobicContact CD-CG2 4.23Å; K58-I70 HydrophobicContact CG-CG2 4.2Å; K58-I70 PolarHBondContact NZ-O 2.92Å; Y60-I70 HydrophobicContact CE1-CB 4.17Å; Y60-I70 HydrophobicContact CE1-CG2 3.81Å; Y60-I70 PolarHBondContact OH-N 2.93Å; Y60-I70 VanDerWaalsContact OH-N 3.12Å; I70-L79 HydrophobicContact CD1-CD1 4.06Å; I70-L79 HydrophobicContact CG1-CD1 4.01Å; I70-Y80 WeakPolarHBondContact CA-O 3.21Å; I70-Y80 WeakPolarHBondContact CG1-O 3.47Å; I70-L81 HydrophobicContact CB-CD1 4.22Å
71	S	98.5	Very high	97.7	Very high	37 Å²	37	50.3 Å²	50.3	26%	0.259	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.2	174.9	61.3	0	0	0	0	110.1	Y80	S71-Y80 PolarHBondContact N-O 3.34Å; S71-Y80 PolarHBondContact O-N 3.05Å; S71-Y80 WeakPolarHBondContact OG-CB 3.43Å
72	R	97.9	Very high	97.8	Very high	34 Å²	34	52.2 Å²	52.2	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.6	-177.7	65	-166.6	-67.3	-88.2	2.8	110.5	F29 I51 W52 Y53 N74 T78 L79	F29-R72 HydrophobicContact CE1-CB 4.13Å; F29-R72 HydrophobicContact CZ-CB 4.21Å; F29-R72 PolarHBondContact O-NH2 2.89Å; F29-R72 VanDerWaalsContact O-NH2 3.14Å; I51-R72 HydrophobicContact CD1-CB 4.35Å; I51-R72 HydrophobicContact CD1-CG 3.75Å; I51-R72 HydrophobicContact CG1-CG 4.37Å; W52-R72 WeakPolarHBondContact O-CD 3.21Å; Y53-R72 VanDerWaalsContact O-CZ 3.31Å; Y53-R72 PolarHBondContact O-NH1 3.35Å; Y53-R72 PolarHBondContact O-NH2 3.02Å; R72-N74 VanDerWaalsContact NH1-CG 3.35Å; R72-N74 PolarHBondContact NH1-ND2 3.41Å; R72-N74 VanDerWaalsContact NH1-ND2 3.18Å; R72-N74 PolarHBondContact NH1-OD1 3.22Å; R72-N74 PolarHBondContact NH2-OD1 3.47Å; R72-T78 CarbonylContact C-O 3.56Å; R72-T78 WeakPolarHBondContact CA-O 3.35Å; R72-L79 HydrophobicContact CB-CD1 4.17Å
73	D	97.6	Very high	97.8	Very high	52 Å²	52	45.5 Å²	45.5	28%	0.278	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.3	171.5	-167.2	-38.5	0	0	0	108.9	S75 E76 N77 T78 Y80	D73-S75 WeakPolarHBondContact OD1-CA 3.38Å; D73-S75 WeakPolarHBondContact OD1-CB 3.31Å; D73-S75 PolarHBondContact OD1-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 3.03Å; D73-E76 HydrophobicContact CB-CB 4.13Å; D73-E76 HydrophobicContact CB-CG 4.36Å; D73-E76 PolarHBondContact OD1-N 2.95Å; D73-E76 VanDerWaalsContact OD1-N 3.16Å; D73-N77 WeakPolarHBondContact O-CA 3.18Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 VanDerWaalsContact O-N 3.12Å; D73-T78 PolarHBondContact N-O 2.6Å; D73-T78 PolarHBondContact O-N 3.1Å; D73-Y80 HydrophobicContact CB-CE2 4.09Å
74	N	96.6	Very high	98	Very high	70 Å²	70	44.8 Å²	44.8	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.8	178.3	-85.8	-28.2	0	0	0	113	S30 R72 E76 N77	S30-N74 WeakPolarHBondContact CA-OD1 3.32Å; S30-N74 WeakPolarHBondContact CB-OD1 3.28Å; R72-N74 VanDerWaalsContact NH1-CG 3.35Å; R72-N74 PolarHBondContact NH1-ND2 3.41Å; R72-N74 VanDerWaalsContact NH1-ND2 3.18Å; R72-N74 PolarHBondContact NH1-OD1 3.22Å; R72-N74 PolarHBondContact NH2-OD1 3.47Å; N74-E76 VanDerWaalsContact C-N 3.34Å; N74-N77 PolarHBondContact O-OD1 3.42Å
75	S	96.1	Very high	98	Very high	103 Å²	103	47.9 Å²	47.9	72%	0.72	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-32.8	179	71.6	0	0	0	0	111.5	D73	D73-S75 WeakPolarHBondContact OD1-CA 3.38Å; D73-S75 WeakPolarHBondContact OD1-CB 3.31Å; D73-S75 PolarHBondContact OD1-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 3.03Å
76	E	96.8	Very high	98	Very high	107 Å²	107	41.3 Å²	41.3	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.1	178.1	-58	-175.1	153.3	0	0	113.5	D73 N74 T78 Y80	D73-E76 HydrophobicContact CB-CB 4.13Å; D73-E76 HydrophobicContact CB-CG 4.36Å; D73-E76 PolarHBondContact OD1-N 2.95Å; D73-E76 VanDerWaalsContact OD1-N 3.16Å; N74-E76 VanDerWaalsContact C-N 3.34Å; E76-T78 PolarHBondContact O-N 2.86Å; E76-T78 VanDerWaalsContact O-N 3.15Å; E76-T78 PolarHBondContact O-OG1 2.92Å; E76-Y80 PolarHBondContact OE2-OH 2.02Å
77	N	97.6	Very high	98	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	38.7	-171.7	-59.4	-51.4	0	0	0	113.2	A24 F29 D73 N74	A24-N77 WeakPolarHBondContact CB-O 3.3Å; A24-N77 PolarHBondContact N-O 2.76Å; A24-N77 WeakPolarHBondContact O-CB 3.49Å; F29-N77 HydrophobicContact CB-CB 3.89Å; F29-N77 VanDerWaalsContact CB-OD1 3.3Å; F29-N77 WeakPolarHBondContact CB-OD1 3.14Å; F29-N77 HydrophobicContact CD1-CB 4.49Å; F29-N77 HydrophobicContact CG-CB 4.17Å; D73-N77 WeakPolarHBondContact O-CA 3.18Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 VanDerWaalsContact O-N 3.12Å; N74-N77 PolarHBondContact O-OD1 3.42Å
78	T	98.3	Very high	98	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.092	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.5	-169.1	-62.3	0	0	0	0	111.7	C22 R72 D73 E76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.28Å; R72-T78 CarbonylContact C-O 3.56Å; R72-T78 WeakPolarHBondContact CA-O 3.35Å; D73-T78 PolarHBondContact N-O 2.6Å; D73-T78 PolarHBondContact O-N 3.1Å; E76-T78 PolarHBondContact O-N 2.86Å; E76-T78 VanDerWaalsContact O-N 3.15Å; E76-T78 PolarHBondContact O-OG1 2.92Å; T78-Y80 HydrophobicContact CG2-CD1 4.21Å; T78-Y80 HydrophobicContact CG2-CD2 4.37Å; T78-Y80 HydrophobicContact CG2-CE1 3.6Å; T78-Y80 HydrophobicContact CG2-CE2 3.77Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.2Å
79	L	98.6	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.3	172.6	-175.8	71.2	0	0	0	109.8	S21 C22 F29 M34 W36 I51 I70 R72 C96	S21-L79 CarbonylContact C-O 3.47Å; S21-L79 WeakPolarHBondContact CA-O 3.48Å; C22-L79 HydrophobicContact CB-CB 4.19Å; C22-L79 PolarHBondContact N-O 2.95Å; C22-L79 PolarHBondContact O-N 3.42Å; F29-L79 HydrophobicContact CE2-CB 4.43Å; F29-L79 HydrophobicContact CZ-CB 4.17Å; M34-L79 HydrophobicContact CB-CD1 3.78Å; M34-L79 HydrophobicContact CB-CD2 3.67Å; M34-L79 HydrophobicContact CB-CG 4.25Å; M34-L79 HydrophobicContact CG-CD1 4.44Å; W36-L79 HydrophobicContact CG-CD2 4.39Å; W36-L79 VanDerWaalsContact NE1-CD2 3.3Å; I51-L79 HydrophobicContact CG2-CD1 3.43Å; I51-L79 VanDerWaalsContact CG2-CD1 3.43Å; I70-L79 HydrophobicContact CD1-CD1 4.06Å; I70-L79 HydrophobicContact CG1-CD1 4.01Å; R72-L79 HydrophobicContact CB-CD1 4.17Å; L79-C96 HydrophobicContact CD2-CB 4.04Å
80	Y	98.8	Very high	97.8	Very high	35 Å²	35	48.7 Å²	48.7	14%	0.137	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.2	179.2	-60.2	-77.8	0	0	0	111.7	R19 L20 I70 S71 D73 E76 T78	R19-Y80 VanDerWaalsContact NH2-CD1 3.26Å; L20-Y80 VanDerWaalsContact O-CA 3.29Å; L20-Y80 WeakPolarHBondContact O-CA 3.37Å; I70-Y80 WeakPolarHBondContact CA-O 3.21Å; I70-Y80 WeakPolarHBondContact CG1-O 3.47Å; S71-Y80 PolarHBondContact N-O 3.34Å; S71-Y80 PolarHBondContact O-N 3.05Å; S71-Y80 WeakPolarHBondContact OG-CB 3.43Å; D73-Y80 HydrophobicContact CB-CE2 4.09Å; E76-Y80 PolarHBondContact OE2-OH 2.02Å; T78-Y80 HydrophobicContact CG2-CD1 4.21Å; T78-Y80 HydrophobicContact CG2-CD2 4.37Å; T78-Y80 HydrophobicContact CG2-CE1 3.6Å; T78-Y80 HydrophobicContact CG2-CE2 3.77Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.2Å
81	L	98.8	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	105.9	168.1	-170.3	68	0	0	0	109	R19 L20 W36 V48 A49 F68 I70 M83 Y94	R19-L81 WeakPolarHBondContact CA-O 3.48Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 PolarHBondContact N-O 3.21Å; L20-L81 PolarHBondContact O-N 3.01Å; W36-L81 HydrophobicContact CB-CD2 4.19Å; W36-L81 HydrophobicContact CD2-CB 4.23Å; W36-L81 HydrophobicContact CD2-CD2 4.23Å; W36-L81 HydrophobicContact CG-CB 4.18Å; W36-L81 HydrophobicContact CG-CD1 4.47Å; W36-L81 HydrophobicContact CG-CD2 3.96Å; W36-L81 HydrophobicContact CG-CG 4.45Å; W36-L81 HydrophobicContact CZ2-CB 4.43Å; V48-L81 HydrophobicContact CG1-CD2 4.15Å; A49-L81 HydrophobicContact CB-CD1 4.42Å; F68-L81 HydrophobicContact CB-CD1 4.25Å; F68-L81 HydrophobicContact CD2-CD2 4.1Å; F68-L81 HydrophobicContact CD2-CG 4.43Å; I70-L81 HydrophobicContact CB-CD1 4.22Å; L81-M83 HydrophobicContact CD2-CG 3.88Å; L81-M83 HydrophobicContact CD2-SD 4Å; L81-M83 HydrophobicContact CG-CG 3.84Å; L81-M83 HydrophobicContact CG-SD 4.46Å; L81-Y94 HydrophobicContact CD2-CD1 4.25Å; L81-Y94 HydrophobicContact CD2-CE1 4.32Å
82	Q	98.8	Very high	97.8	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.5	168.7	-178.7	62.9	34.6	0	0	108.3	F68 T69 N84	F68-Q82 CarbonylContact C-O 3.55Å; F68-Q82 VanDerWaalsContact CA-O 3.24Å; F68-Q82 WeakPolarHBondContact CA-O 2.99Å; T69-Q82 PolarHBondContact N-O 2.99Å; T69-Q82 PolarHBondContact O-N 2.8Å; Q82-N84 PolarHBondContact NE2-OD1 3.25Å
83	M	98.6	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.7	-176.9	-62.1	165	63.2	0	0	108.5	S17 L18 L20 F68 L81 L86 Y94 V116	S17-M83 CarbonylContact C-O 3.26Å; S17-M83 WeakPolarHBondContact CA-O 3.02Å; S17-M83 WeakPolarHBondContact CB-O 3.27Å; L18-M83 PolarHBondContact N-O 2.81Å; L18-M83 PolarHBondContact O-N 2.9Å; L20-M83 HydrophobicContact CD1-SD 3.59Å; L20-M83 VanDerWaalsContact CD1-SD 3.59Å; L20-M83 HydrophobicContact CD2-SD 4.5Å; L20-M83 HydrophobicContact CG-SD 3.66Å; F68-M83 HydrophobicContact CD1-CB 3.93Å; F68-M83 HydrophobicContact CD1-CG 4.19Å; F68-M83 HydrophobicContact CD2-CG 3.91Å; F68-M83 HydrophobicContact CE1-CB 3.76Å; F68-M83 HydrophobicContact CE1-CG 4.13Å; F68-M83 HydrophobicContact CE2-CB 4.36Å; F68-M83 HydrophobicContact CE2-CE 3.89Å; F68-M83 HydrophobicContact CE2-CG 3.83Å; F68-M83 HydrophobicContact CE2-SD 4.45Å; F68-M83 HydrophobicContact CG-CB 4.35Å; F68-M83 HydrophobicContact CG-CG 4.11Å; F68-M83 HydrophobicContact CZ-CB 3.99Å; F68-M83 HydrophobicContact CZ-CE 3.78Å; F68-M83 HydrophobicContact CZ-CG 3.96Å; L81-M83 HydrophobicContact CD2-CG 3.88Å; L81-M83 HydrophobicContact CD2-SD 4Å; L81-M83 HydrophobicContact CG-CG 3.84Å; L81-M83 HydrophobicContact CG-SD 4.46Å; M83-L86 HydrophobicContact CB-CD1 4.34Å; M83-L86 HydrophobicContact CB-CD2 4.05Å; M83-L86 HydrophobicContact CB-CG 4.29Å; M83-L86 HydrophobicContact CE-CD2 3.53Å; M83-Y94 HydrophobicContact CE-CE1 3.82Å; M83-Y94 HydrophobicContact CE-CE2 3.98Å; M83-Y94 VanDerWaalsContact CE-CZ 3.45Å; M83-Y94 WeakPolarHBondContact CE-OH 3.17Å; M83-Y94 HydrophobicContact SD-CE1 4.35Å; M83-V116 HydrophobicContact CE-CG1 4.09Å; M83-V116 HydrophobicContact CE-CG2 4.3Å
84	N	98.4	Very high	97.9	Very high	51 Å²	51	46.2 Å²	46.2	27%	0.273	25%	0.254	S	S	.	.			trans	-101.6	155.4	178.4	-56.3	-51.2	0	0	0	111.8	S17 R67 Q82 L86	S17-N84 WeakPolarHBondContact CB-OD1 3.21Å; S17-N84 WeakPolarHBondContact OG-CA 3.42Å; S17-N84 PolarHBondContact OG-OD1 3.45Å; R67-N84 WeakPolarHBondContact CB-O 3.25Å; R67-N84 VanDerWaalsContact O-CB 3.29Å; R67-N84 WeakPolarHBondContact O-CB 3.29Å; R67-N84 PolarHBondContact O-N 3.35Å; R67-N84 PolarHBondContact O-ND2 3.01Å; Q82-N84 PolarHBondContact NE2-OD1 3.25Å; N84-L86 PolarHBondContact O-N 2.93Å
85	S	97.8	Very high	98	Very high	66 Å²	66	44.9 Å²	44.9	46%	0.462	24%	0.244	S	C	.	.	S	Bend	trans	50.4	55.3	174.7	-54.4	0	0	0	0	112	K16 R67	K16-S85 PolarHBondContact O-N 3.49Å; R67-S85 PolarHBondContact NH1-O 2.91Å
86	L	98.2	Very high	98	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.21	C	C	.	.			trans	-63.4	144	-175.8	-80.8	166.5	0	0	0	112.5	V12 P14 G15 K16 L18 F68 M83 N84 D90 V118	V12-L86 HydrophobicContact CG2-CD1 3.59Å; P14-L86 WeakPolarHBondContact CA-O 3.34Å; G15-L86 PolarHBondContact N-O 3.03Å; K16-L86 WeakPolarHBondContact O-CB 3.28Å; K16-L86 PolarHBondContact O-N 2.95Å; L18-L86 HydrophobicContact CB-CD1 3.87Å; F68-L86 HydrophobicContact CE1-CD2 3.89Å; F68-L86 HydrophobicContact CZ-CD2 3.73Å; M83-L86 HydrophobicContact CB-CD1 4.34Å; M83-L86 HydrophobicContact CB-CD2 4.05Å; M83-L86 HydrophobicContact CB-CG 4.29Å; M83-L86 HydrophobicContact CE-CD2 3.53Å; N84-L86 PolarHBondContact O-N 2.93Å; L86-D90 HydrophobicContact CD2-CB 3.55Å; L86-V118 HydrophobicContact CB-CG1 4.26Å; L86-V118 HydrophobicContact CB-CG2 3.99Å; L86-V118 HydrophobicContact CD1-CG2 4.49Å; L86-V118 HydrophobicContact CD2-CG2 4.28Å; L86-V118 HydrophobicContact CG-CG2 4.5Å
87	R	97.6	Very high	98	Very high	143 Å²	143	34.9 Å²	34.9	54%	0.54	19%	0.186	S	C	.	.			trans	-119.7	160.8	179.9	-59.4	176.6	-178.5	177.8	-1.1	109.7	D89 D90 V118	R87-D89 PolarHBondContact O-N 3.05Å; R87-D90 PolarHBondContact N-OD2 3.12Å; R87-D90 WeakPolarHBondContact O-CA 3.32Å; R87-D90 VanDerWaalsContact O-CB 3.3Å; R87-D90 WeakPolarHBondContact O-CB 3.27Å; R87-D90 PolarHBondContact O-N 2.81Å; R87-V118 VanDerWaalsContact O-CB 3.32Å; R87-V118 WeakPolarHBondContact O-CB 3.35Å; R87-V118 WeakPolarHBondContact O-CG1 3.43Å; R87-V118 WeakPolarHBondContact O-CG2 3.37Å
88	A	96.7	Very high	97.8	Very high	62 Å²	62	32.9 Å²	32.9	51%	0.512	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-53	-40.7	176.4	0	0	0	0	0	112.1	D90 T91	A88-D90 PolarHBondContact O-N 3.03Å; A88-D90 VanDerWaalsContact O-N 3.1Å; A88-T91 VanDerWaalsContact O-CB 3.24Å; A88-T91 WeakPolarHBondContact O-CB 3.33Å; A88-T91 PolarHBondContact O-N 3.04Å; A88-T91 PolarHBondContact O-OG1 2.92Å
89	D	95.9	Very high	97.4	Very high	125 Å²	125	32.5 Å²	32.5	67%	0.668	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-64.4	-11	176.8	-61	-19.1	0	0	0	114.3	R38 R87 T91	R38-D89 PolarHBondContact NH1-O 2.82Å; R38-D89 PolarHBondContact NH2-O 2.86Å; R87-D89 PolarHBondContact O-N 3.05Å; D89-T91 VanDerWaalsContact C-N 3.28Å
90	D	98	Very high	96.2	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-84.7	-2	173.5	-58.7	-47	0	0	0	113.2	R38 R67 F68 L86 R87 A88 Y94 V118	R38-D90 IonicContact NH1-OD1 3.43Å; R38-D90 PolarHBondContact NH1-OD1 2.87Å; R38-D90 VanDerWaalsContact NH1-OD1 3.1Å; R67-D90 IonicContact CZ-OD1 3.87Å; R67-D90 IonicContact CZ-OD2 3.4Å; R67-D90 IonicContact NH1-OD1 3.2Å; R67-D90 IonicContact NH1-OD2 2.69Å; R67-D90 PolarHBondContact NH1-OD2 3.43Å; R67-D90 IonicContact NH2-OD1 3.9Å; R67-D90 PolarHBondContact NH2-OD1 2.98Å; R67-D90 IonicContact NH2-OD2 2.79Å; R67-D90 PolarHBondContact NH2-OD2 2.92Å; F68-D90 HydrophobicContact CZ-CB 4.19Å; L86-D90 HydrophobicContact CD2-CB 3.55Å; R87-D90 PolarHBondContact N-OD2 3.12Å; R87-D90 WeakPolarHBondContact O-CA 3.32Å; R87-D90 VanDerWaalsContact O-CB 3.3Å; R87-D90 WeakPolarHBondContact O-CB 3.27Å; R87-D90 PolarHBondContact O-N 2.81Å; A88-D90 PolarHBondContact O-N 3.03Å; A88-D90 VanDerWaalsContact O-N 3.1Å; D90-Y94 VanDerWaalsContact O-CE2 3.28Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 2.89Å; D90-V118 HydrophobicContact CB-CG2 4.39Å
91	T	98.4	Very high	94.6	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	20%	0.196	C	C	.	.			trans	-65.6	131.3	173.4	-62.4	0	0	0	0	111.2	A88 D89 V116 V118	A88-T91 VanDerWaalsContact O-CB 3.24Å; A88-T91 WeakPolarHBondContact O-CB 3.33Å; A88-T91 PolarHBondContact O-N 3.04Å; A88-T91 PolarHBondContact O-OG1 2.92Å; D89-T91 VanDerWaalsContact C-N 3.28Å; T91-V116 WeakPolarHBondContact CA-O 3.5Å; T91-V118 PolarHBondContact OG1-N 2.98Å
92	G	98.2	Very high	92.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	175.4	177.1	0	0	0	0	0	112.7	Q39 Y94 V116	Q39-G92 CarbonylContact O-C 3.5Å; Q39-G92 WeakPolarHBondContact O-CA 3.43Å; G92-Y94 WeakPolarHBondContact O-CD2 3.35Å; G92-V116 PolarHBondContact N-O 3.16Å; G92-V116 PolarHBondContact O-N 2.92Å
93	V	98.7	Very high	90.3	Very high	40 Å²	40	48.6 Å²	48.6	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.6	169.6	-172	0	0	0	0	108.3	R38 Q39 Y95 T114 L115	R38-V93 CarbonylContact C-O 3.53Å; R38-V93 WeakPolarHBondContact CA-O 3.38Å; Q39-V93 PolarHBondContact N-O 3.1Å; Q39-V93 PolarHBondContact O-N 2.92Å; V93-Y95 HydrophobicContact CB-CE2 3.79Å; V93-Y95 HydrophobicContact CG1-CD2 4.43Å; V93-Y95 HydrophobicContact CG1-CE1 3.8Å; V93-Y95 HydrophobicContact CG1-CE2 3.71Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.48Å; V93-Y95 WeakPolarHBondContact O-CE2 3.48Å; V93-T114 WeakPolarHBondContact CA-O 3.49Å; V93-L115 HydrophobicContact CG2-CD1 4.11Å
94	Y	98.7	Very high	88.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.5	-180	-75.1	-104.5	0	0	0	109.8	L20 V37 R38 V48 F68 L81 M83 D90 G92 G113 T114 V116	L20-Y94 HydrophobicContact CD1-CD1 3.93Å; L20-Y94 HydrophobicContact CD1-CD2 4.31Å; L20-Y94 HydrophobicContact CD1-CG 3.69Å; V37-Y94 CarbonylContact O-C 3.51Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; R38-Y94 HydrophobicContact CB-CD1 4.18Å; R38-Y94 HydrophobicContact CB-CE1 4.03Å; R38-Y94 WeakPolarHBondContact CD-OH 3.29Å; R38-Y94 HydrophobicContact CG-CD2 4.35Å; R38-Y94 HydrophobicContact CG-CE1 4.17Å; R38-Y94 HydrophobicContact CG-CE2 3.95Å; R38-Y94 PolarHBondContact NH1-OH 2.99Å; V48-Y94 HydrophobicContact CG2-CE1 4.29Å; F68-Y94 HydrophobicContact CE2-CE1 4.35Å; L81-Y94 HydrophobicContact CD2-CD1 4.25Å; L81-Y94 HydrophobicContact CD2-CE1 4.32Å; M83-Y94 HydrophobicContact CE-CE1 3.82Å; M83-Y94 HydrophobicContact CE-CE2 3.98Å; M83-Y94 VanDerWaalsContact CE-CZ 3.45Å; M83-Y94 WeakPolarHBondContact CE-OH 3.17Å; M83-Y94 HydrophobicContact SD-CE1 4.35Å; D90-Y94 VanDerWaalsContact O-CE2 3.28Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 2.89Å; G92-Y94 WeakPolarHBondContact O-CD2 3.35Å; Y94-G113 CarbonylContact O-C 3.41Å; Y94-G113 WeakPolarHBondContact O-CA 3.45Å; Y94-T114 PolarHBondContact N-O 3.15Å; Y94-T114 PolarHBondContact O-N 2.83Å; Y94-V116 HydrophobicContact CD2-CB 3.91Å; Y94-V116 HydrophobicContact CD2-CG2 3.68Å; Y94-V116 HydrophobicContact CE2-CB 3.73Å; Y94-V116 HydrophobicContact CE2-CG1 4.43Å; Y94-V116 HydrophobicContact CE2-CG2 3.9Å; Y94-V116 HydrophobicContact CG-CG2 4.49Å
95	Y	98.5	Very high	86.3	Confident	41 Å²	41	61.3 Å²	61.3	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.5	-179.3	-53.1	-90.4	0	0	0	109.7	E6 W36 V37 Q39 L45 V93 W110 Q112 G113	E6-Y95 VanDerWaalsContact OE1-CA 3.3Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.47Å; W36-Y95 WeakPolarHBondContact CA-O 3.31Å; V37-Y95 PolarHBondContact N-O 3.29Å; V37-Y95 PolarHBondContact O-N 2.7Å; Q39-Y95 HydrophobicContact CB-CE2 3.87Å; L45-Y95 HydrophobicContact CD2-CD2 4.31Å; L45-Y95 HydrophobicContact CD2-CE2 4.25Å; V93-Y95 HydrophobicContact CB-CE2 3.79Å; V93-Y95 HydrophobicContact CG1-CD2 4.43Å; V93-Y95 HydrophobicContact CG1-CE1 3.8Å; V93-Y95 HydrophobicContact CG1-CE2 3.71Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.48Å; V93-Y95 WeakPolarHBondContact O-CE2 3.48Å; Y95-W110 HydrophobicContact CG-CE3 4.38Å; Y95-Q112 WeakPolarHBondContact CE1-O 3.32Å; Y95-G113 VanDerWaalsContact CD1-CA 3.45Å
96	C	97.5	Very high	84.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.8	162.4	61.7	0	0	0	0	110.3	L4 E6 C22 H35 W36 L79 G111	L4-C96 WeakPolarHBondContact CD1-O 3.47Å; E6-C96 VanDerWaalsContact CD-SG 3.58Å; E6-C96 HydrophobicContact CG-CB 4.38Å; E6-C96 PolarHBondContact OE1-N 3.16Å; E6-C96 PolarHBondContact OE1-SG 3.14Å; E6-C96 VanDerWaalsContact OE1-SG 3.34Å; C22-C96 HydrophobicContact CB-CB 3.45Å; C22-C96 VanDerWaalsContact CB-CB 3.45Å; C22-C96 WeakPolarHBondContact CB-SG 3.3Å; C22-C96 WeakPolarHBondContact SG-CB 3.44Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.78Å; H35-C96 VanDerWaalsContact O-CA 3.27Å; H35-C96 WeakPolarHBondContact O-CA 3.24Å; W36-C96 HydrophobicContact CD2-CB 4.46Å; W36-C96 HydrophobicContact CE3-CB 4.37Å; W36-C96 HydrophobicContact CH2-CB 4.31Å; W36-C96 HydrophobicContact CZ2-CB 4.39Å; W36-C96 HydrophobicContact CZ3-CB 4.29Å; L79-C96 HydrophobicContact CD2-CB 4.04Å; C96-G111 PolarHBondContact O-N 3.07Å
97	A	96.4	Very high	83.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.9	179.7	0	0	0	0	0	112	M34 H35 Y109 W110	M34-A97 WeakPolarHBondContact CA-O 3.47Å; H35-A97 HydrophobicContact CB-CB 4.31Å; H35-A97 PolarHBondContact N-O 2.84Å; H35-A97 PolarHBondContact O-N 2.89Å; A97-Y109 CarbonylContact C-O 3.57Å; A97-Y109 WeakPolarHBondContact CA-O 3.4Å; A97-Y109 WeakPolarHBondContact CB-O 3.4Å; A97-W110 HydrophobicContact CB-CD2 3.67Å; A97-W110 HydrophobicContact CB-CE3 3.89Å; A97-W110 HydrophobicContact CB-CG 4.11Å; A97-W110 HydrophobicContact CB-CH2 4.39Å; A97-W110 HydrophobicContact CB-CZ2 4.18Å; A97-W110 HydrophobicContact CB-CZ3 4.26Å
98	R	94.1	Very high	82.9	Confident	21 Å²	21	63 Å²	63	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	144.3	176.6	-170.9	176.9	80.3	156.7	9	111.2	F27 Y32 M34 S107 D108 Y109	F27-R98 HydrophobicContact CE2-CG 4.2Å; F27-R98 HydrophobicContact CZ-CG 4.43Å; Y32-R98 HydrophobicContact CD1-CG 4.03Å; Y32-R98 HydrophobicContact CG-CG 3.9Å; Y32-R98 VanDerWaalsContact CZ-NH1 3.31Å; M34-R98 HydrophobicContact SD-CB 4.22Å; M34-R98 HydrophobicContact SD-CG 4.25Å; R98-S107 WeakPolarHBondContact O-CA 3.43Å; R98-S107 WeakPolarHBondContact O-CB 3.22Å; R98-S107 PolarHBondContact O-OG 3.18Å; R98-D108 IonicContact CZ-OD1 3.55Å; R98-D108 IonicContact CZ-OD2 3.5Å; R98-D108 IonicContact NE-OD1 2.92Å; R98-D108 PolarHBondContact NE-OD1 2.8Å; R98-D108 IonicContact NE-OD2 3.67Å; R98-D108 IonicContact NH2-OD1 3.42Å; R98-D108 PolarHBondContact NH2-OD1 2.68Å; R98-D108 IonicContact NH2-OD2 2.6Å; R98-D108 PolarHBondContact NH2-OD2 2.87Å; R98-Y109 VanDerWaalsContact CZ-CE2 3.44Å; R98-Y109 PolarHBondContact N-O 3Å
99	V	88.7	Confident	82.7	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.036	31%	0.306	C	S	.	.			trans	-91.8	127.2	172.1	-178	0	0	0	0	110	Y32 G33 H35 V50 W52	Y32-V99 WeakPolarHBondContact CD1-O 3.45Å; G33-V99 WeakPolarHBondContact O-CB 3.5Å; G33-V99 VanDerWaalsContact O-CG2 3.27Å; G33-V99 WeakPolarHBondContact O-CG2 3.42Å; G33-V99 PolarHBondContact O-N 3.43Å; H35-V99 WeakPolarHBondContact NE2-CG2 3.16Å; V50-V99 HydrophobicContact CG2-CG2 3.93Å; W52-V99 HydrophobicContact CH2-CG1 3.86Å; W52-V99 HydrophobicContact CZ3-CG1 4.11Å
100	V	74.5	Confident	82.7	Confident	70 Å²	70	63.3 Å²	63.3	42%	0.424	29%	0.292	S	S	.	.			trans	-93	-35.7	-179.1	-171.2	0	0	0	0	113.3	Y106 D108	V100-Y106 PolarHBondContact N-O 2.67Å; V100-D108 HydrophobicContact CG2-CB 3.64Å; V100-D108 WeakPolarHBondContact CG2-OD1 3.31Å; V100-D108 WeakPolarHBondContact CG2-OD2 3.5Å
101	A	63.8	Low	82.7	Confident	28 Å²	28	63.4 Å²	63.4	23%	0.231	30%	0.295	C	S	.	.			trans	-147.8	135.2	-179.4	0	0	0	0	0	112.6	R103 Q104	A101-R103 PolarHBondContact O-N 2.62Å; A101-Q104 HydrophobicContact CB-CB 4.36Å; A101-Q104 HydrophobicContact CB-CG 4.49Å; A101-Q104 PolarHBondContact O-N 3.11Å
102	P	52.8	Low	82.6	Confident	100 Å²	100	70.3 Å²	70.3	65%	0.649	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.9	-179.4	-9.1	13.6	0	0	0	116.6	W52	W52-P102 HydrophobicContact CH2-CB 3.57Å; W52-P102 HydrophobicContact CH2-CG 4.22Å; W52-P102 HydrophobicContact CZ2-CB 4.16Å; W52-P102 HydrophobicContact CZ3-CB 3.87Å; W52-P102 HydrophobicContact CZ3-CG 4.04Å
103	R	53.9	Low	82.6	Confident	232 Å²	232	71.3 Å²	71.3	88%	0.875	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-3.5	-175.6	-70	-172.3	176.3	-155.3	-0.1	114.6	A101	A101-R103 PolarHBondContact O-N 2.62Å
104	Q	54.9	Low	82.6	Confident	117 Å²	117	70.4 Å²	70.4	55%	0.547	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	2	-164.2	-57.6	-169.3	-7.9	0	0	116.7	A101 Y106	A101-Q104 HydrophobicContact CB-CB 4.36Å; A101-Q104 HydrophobicContact CB-CG 4.49Å; A101-Q104 PolarHBondContact O-N 3.11Å; Q104-Y106 HydrophobicContact CB-CD2 3.35Å; Q104-Y106 HydrophobicContact CB-CE2 3.64Å; Q104-Y106 HydrophobicContact CB-CG 4.44Å; Q104-Y106 HydrophobicContact CG-CD2 4.4Å; Q104-Y106 HydrophobicContact CG-CE2 4.43Å; Q104-Y106 WeakPolarHBondContact O-CD2 3.36Å; Q104-Y106 WeakPolarHBondContact O-CE2 3.47Å; Q104-Y106 PolarHBondContact O-N 2.87Å
105	Y	59.1	Low	82.6	Confident	200 Å²	200	75 Å²	75	78%	0.784	35%	0.354	S	S	*	.			trans	50.6	21.9	175.7	-58.6	-81.4	0	0	0	115.2
106	Y	65.9	Low	82.6	Confident	150 Å²	150	73.1 Å²	73.1	59%	0.588	35%	0.346	S	S	*	.			trans	-90.2	137.5	179.9	-70.1	-64.3	0	0	0	111	V100 Q104	V100-Y106 PolarHBondContact N-O 2.67Å; Q104-Y106 HydrophobicContact CB-CD2 3.35Å; Q104-Y106 HydrophobicContact CB-CE2 3.64Å; Q104-Y106 HydrophobicContact CB-CG 4.44Å; Q104-Y106 HydrophobicContact CG-CD2 4.4Å; Q104-Y106 HydrophobicContact CG-CE2 4.43Å; Q104-Y106 WeakPolarHBondContact O-CD2 3.36Å; Q104-Y106 WeakPolarHBondContact O-CE2 3.47Å; Q104-Y106 PolarHBondContact O-N 2.87Å
107	S	74.4	Confident	82.6	Confident	29 Å²	29	74.9 Å²	74.9	20%	0.203	36%	0.357	C	S	.	.			trans	-120.3	126.5	172.9	-72.7	0	0	0	0	110.7	H35 R98 W110	H35-S107 PolarHBondContact CD2-OG 2.9Å; R98-S107 WeakPolarHBondContact O-CA 3.43Å; R98-S107 WeakPolarHBondContact O-CB 3.22Å; R98-S107 PolarHBondContact O-OG 3.18Å; S107-W110 PolarHBondContact O-NE1 3.34Å
108	D	82.6	Confident	82.7	Confident	68 Å²	68	75.3 Å²	75.3	36%	0.364	36%	0.36	S	S	.	.			trans	-100.9	-26.4	-179.2	57.8	-7.3	0	0	0	114	R98 V100	R98-D108 IonicContact CZ-OD1 3.55Å; R98-D108 IonicContact CZ-OD2 3.5Å; R98-D108 IonicContact NE-OD1 2.92Å; R98-D108 PolarHBondContact NE-OD1 2.8Å; R98-D108 IonicContact NE-OD2 3.67Å; R98-D108 IonicContact NH2-OD1 3.42Å; R98-D108 PolarHBondContact NH2-OD1 2.68Å; R98-D108 IonicContact NH2-OD2 2.6Å; R98-D108 PolarHBondContact NH2-OD2 2.87Å; V100-D108 HydrophobicContact CG2-CB 3.64Å; V100-D108 WeakPolarHBondContact CG2-OD1 3.31Å; V100-D108 WeakPolarHBondContact CG2-OD2 3.5Å
109	Y	92.1	Very high	82.7	Confident	95 Å²	95	76.8 Å²	76.8	37%	0.373	37%	0.373	S	S	.	.			trans	-121.6	134.1	175.3	-59.4	-65	0	0	0	111.6	V2 L4 A97 R98	V2-Y109 HydrophobicContact CB-CD1 3.92Å; V2-Y109 HydrophobicContact CB-CD2 4.33Å; V2-Y109 HydrophobicContact CB-CE1 3.9Å; V2-Y109 HydrophobicContact CB-CE2 4.32Å; V2-Y109 HydrophobicContact CB-CG 4.14Å; V2-Y109 HydrophobicContact CG1-CD1 3.77Å; V2-Y109 HydrophobicContact CG1-CD2 3.73Å; V2-Y109 HydrophobicContact CG1-CE1 4.21Å; V2-Y109 HydrophobicContact CG1-CE2 4.17Å; V2-Y109 HydrophobicContact CG1-CG 3.51Å; V2-Y109 HydrophobicContact CG2-CD1 4.46Å; V2-Y109 HydrophobicContact CG2-CD2 4.31Å; V2-Y109 HydrophobicContact CG2-CE1 4.06Å; V2-Y109 HydrophobicContact CG2-CE2 3.89Å; L4-Y109 WeakPolarHBondContact CD1-O 3.34Å; A97-Y109 CarbonylContact C-O 3.57Å; A97-Y109 WeakPolarHBondContact CA-O 3.4Å; A97-Y109 WeakPolarHBondContact CB-O 3.4Å; R98-Y109 VanDerWaalsContact CZ-CE2 3.44Å; R98-Y109 PolarHBondContact N-O 3Å
110	W	96.1	Very high	82.6	Confident	98 Å²	98	83.7 Å²	83.7	37%	0.371	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-128.3	144.4	-178.3	-69.2	75.1	0	0	0	109.6	V37 L45 Y95 A97 S107	V37-W110 HydrophobicContact CB-CH2 3.99Å; V37-W110 HydrophobicContact CB-CZ3 3.7Å; V37-W110 HydrophobicContact CG1-CH2 3.92Å; V37-W110 HydrophobicContact CG1-CZ3 3.83Å; V37-W110 HydrophobicContact CG2-CH2 3.7Å; V37-W110 HydrophobicContact CG2-CZ3 3.83Å; L45-W110 HydrophobicContact CD1-CH2 4.12Å; L45-W110 HydrophobicContact CD1-CZ3 4.41Å; Y95-W110 HydrophobicContact CG-CE3 4.38Å; A97-W110 HydrophobicContact CB-CD2 3.67Å; A97-W110 HydrophobicContact CB-CE3 3.89Å; A97-W110 HydrophobicContact CB-CG 4.11Å; A97-W110 HydrophobicContact CB-CH2 4.39Å; A97-W110 HydrophobicContact CB-CZ2 4.18Å; A97-W110 HydrophobicContact CB-CZ3 4.26Å; S107-W110 PolarHBondContact O-NE1 3.34Å
111	G	96.9	Very high	83	Confident	6 Å²	6	84.4 Å²	84.4	6%	0.062	42%	0.422	C	S	.	.			trans	-77.1	176.1	165.9	0	0	0	0	0	112	L4 E6 C96 G113	L4-G111 VanDerWaalsContact O-CA 3.31Å; L4-G111 WeakPolarHBondContact O-CA 3.48Å; E6-G111 WeakPolarHBondContact OE1-CA 3.45Å; E6-G111 WeakPolarHBondContact OE2-CA 3.48Å; C96-G111 PolarHBondContact O-N 3.07Å; G111-G113 VanDerWaalsContact C-N 3.27Å
112	Q	96.5	Very high	84	Confident	175 Å²	175	87.3 Å²	87.3	82%	0.818	43%	0.432	S	S	*	.			trans	-81.8	-13.9	-179.4	-63.3	-60.6	-55.1	0	0	112.1	E6 Y95	E6-Q112 PolarHBondContact OE2-N 3.05Å; E6-Q112 VanDerWaalsContact OE2-N 3.1Å; Y95-Q112 WeakPolarHBondContact CE1-O 3.32Å
113	G	97.9	Very high	85.7	Confident	22 Å²	22	86.6 Å²	86.6	23%	0.227	42%	0.419	C	S	.	.			trans	89.6	159.9	176.5	0	0	0	0	0	113.7	E6 Y94 Y95 G111	E6-G113 VanDerWaalsContact CD-N 3.32Å; E6-G113 PolarHBondContact OE1-N 3.18Å; E6-G113 PolarHBondContact OE2-N 3.43Å; Y94-G113 CarbonylContact O-C 3.41Å; Y94-G113 WeakPolarHBondContact O-CA 3.45Å; Y95-G113 VanDerWaalsContact CD1-CA 3.45Å; G111-G113 VanDerWaalsContact C-N 3.27Å
114	T	98.5	Very high	87.6	Confident	21 Å²	21	78.1 Å²	78.1	13%	0.129	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.9	176.2	-165.8	0	0	0	0	110.4	E6 G9 L20 V93 Y94	E6-T114 HydrophobicContact CB-CG2 3.89Å; G9-T114 WeakPolarHBondContact CA-OG1 3.44Å; G9-T114 PolarHBondContact N-OG1 2.99Å; L20-T114 HydrophobicContact CD1-CG2 4.12Å; L20-T114 HydrophobicContact CD2-CG2 3.9Å; V93-T114 WeakPolarHBondContact CA-O 3.49Å; Y94-T114 PolarHBondContact N-O 3.15Å; Y94-T114 PolarHBondContact O-N 2.83Å
115	L	98.5	Very high	89.6	Confident	97 Å²	97	75.6 Å²	75.6	51%	0.508	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.2	-177.2	179.9	63.7	0	0	0	110.7	G9 S10 V93	G9-L115 CarbonylContact C-O 3.52Å; G9-L115 VanDerWaalsContact C-O 3.26Å; G9-L115 WeakPolarHBondContact CA-O 3.3Å; S10-L115 PolarHBondContact N-O 3.12Å; V93-L115 HydrophobicContact CG2-CD1 4.11Å
116	V	98.6	Very high	91.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.4	166.9	177.9	0	0	0	0	108.3	L18 L20 M83 T91 G92 Y94 V118	L18-V116 HydrophobicContact CD2-CB 4.47Å; L18-V116 HydrophobicContact CD2-CG1 3.97Å; L18-V116 HydrophobicContact CD2-CG2 3.73Å; L20-V116 HydrophobicContact CD1-CG2 4.14Å; L20-V116 HydrophobicContact CD2-CG2 3.91Å; M83-V116 HydrophobicContact CE-CG1 4.09Å; M83-V116 HydrophobicContact CE-CG2 4.3Å; T91-V116 WeakPolarHBondContact CA-O 3.5Å; G92-V116 PolarHBondContact N-O 3.16Å; G92-V116 PolarHBondContact O-N 2.92Å; Y94-V116 HydrophobicContact CD2-CB 3.91Å; Y94-V116 HydrophobicContact CD2-CG2 3.68Å; Y94-V116 HydrophobicContact CE2-CB 3.73Å; Y94-V116 HydrophobicContact CE2-CG1 4.43Å; Y94-V116 HydrophobicContact CE2-CG2 3.9Å; Y94-V116 HydrophobicContact CG-CG2 4.49Å; V116-V118 HydrophobicContact CG1-CG2 4.32Å
117	T	98.3	Very high	93.5	Very high	38 Å²	38	61.4 Å²	61.4	23%	0.233	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.9	176.8	-57.7	0	0	0	0	109.5	S10 V11 V12	S10-T117 PolarHBondContact O-N 2.75Å; V11-T117 CarbonylContact C-O 3.55Å; V11-T117 WeakPolarHBondContact CA-O 3.47Å; V11-T117 HydrophobicContact CG1-CG2 4.41Å; V12-T117 PolarHBondContact N-O 2.76Å
118	V	97.7	Very high	95	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	101.3	176.8	-171.4	0	0	0	0	109.1	V12 P14 L86 R87 D90 T91 V116	V12-V118 HydrophobicContact CG2-CG2 4.1Å; V12-V118 VanDerWaalsContact O-CA 3.28Å; V12-V118 WeakPolarHBondContact O-CA 3.42Å; P14-V118 HydrophobicContact CB-CG1 4.36Å; P14-V118 HydrophobicContact CG-CG1 4.09Å; L86-V118 HydrophobicContact CB-CG1 4.26Å; L86-V118 HydrophobicContact CB-CG2 3.99Å; L86-V118 HydrophobicContact CD1-CG2 4.49Å; L86-V118 HydrophobicContact CD2-CG2 4.28Å; L86-V118 HydrophobicContact CG-CG2 4.5Å; R87-V118 VanDerWaalsContact O-CB 3.32Å; R87-V118 WeakPolarHBondContact O-CB 3.35Å; R87-V118 WeakPolarHBondContact O-CG1 3.43Å; R87-V118 WeakPolarHBondContact O-CG2 3.37Å; D90-V118 HydrophobicContact CB-CG2 4.39Å; T91-V118 PolarHBondContact OG1-N 2.98Å; V116-V118 HydrophobicContact CG1-CG2 4.32Å
119	S	94.9	Very high	96	Very high	52 Å²	52	63.6 Å²	63.6	36%	0.364	35%	0.349	S	S	.	.			trans	-141.7	149.7	-175.5	58.5	0	0	0	0	111.3	V12 Q13	V12-S119 PolarHBondContact O-N 2.63Å; V12-S119 VanDerWaalsContact O-N 3.1Å; Q13-S119 WeakPolarHBondContact CA-O 3.41Å
120	S	86.1	Confident	96.4	Very high	151 Å²	151	60.7 Å²	60.7	100%	1.056	35%	0.347	S	S	*	.			trans	-73	0	175.8	57.4	0	0	0	0	112.6

Retrieved 120 of 120 residues in 136.3 ms (Link to these results)

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