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Ribosome biogenesis protein WDR12

Component of the PeBoW complex, which is required for maturation of 28S and 5.8S ribosomal RNAs and formation of the 60S ribosome.

AlphaFold DB , UniProt , Accession A0A096MS96, Species PAPAN (Papio anubis, Olive baboon), Gene WDR12, Length 423 aa.

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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	M	58.7	Low	81.8	Confident	213 Å²	213	76.6 Å²	76.6	100%	1.049	38%	0.383	S	S	*	.				0	130.6	0	-65.9	177.5	-158.5	0	0	106.5	Q3	M1-Q3 PolarHBondContact O-N 2.98Å
2	A	76.4	Confident	81.5	Confident	66 Å²	66	75.2 Å²	75.2	55%	0.545	38%	0.378	S	S	.	.			trans	-58.8	127	175.6	0	0	0	0	0	108.8	A26	A2-A26 HydrophobicContact CB-CB 3.98Å; A2-A26 WeakPolarHBondContact O-CB 3.38Å; A2-A26 PolarHBondContact O-N 3.22Å
3	Q	82.6	Confident	81.2	Confident	137 Å²	137	84.5 Å²	84.5	64%	0.64	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.3	175.9	-70.6	-173.6	-11	0	0	108.2	M1 I24	M1-Q3 PolarHBondContact O-N 2.98Å; Q3-I24 WeakPolarHBondContact CA-O 3.39Å
4	L	83.9	Confident	80.9	Confident	7 Å²	7	90.4 Å²	90.4	4%	0.037	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.9	178.2	-78	156.2	0	0	0	108.9	T6 S23 I24 A26 L66 M70	L4-T6 HydrophobicContact CB-CG2 4.32Å; L4-S23 WeakPolarHBondContact O-CA 3.37Å; L4-I24 PolarHBondContact N-O 3.47Å; L4-I24 PolarHBondContact O-N 2.98Å; L4-A26 HydrophobicContact CD1-CB 3.44Å; L4-A26 VanDerWaalsContact CD1-CB 3.44Å; L4-A26 HydrophobicContact CG-CB 4.09Å; L4-L66 HydrophobicContact CB-CD2 4.32Å; L4-L66 HydrophobicContact CD1-CD2 3.52Å; L4-L66 HydrophobicContact CD1-CG 4.26Å; L4-M70 HydrophobicContact CD1-SD 3.4Å; L4-M70 WeakPolarHBondContact CD1-SD 3.47Å; L4-M70 HydrophobicContact CD2-CE 3.64Å; L4-M70 HydrophobicContact CD2-SD 3.6Å; L4-M70 HydrophobicContact CG-SD 4.14Å
5	Q	87.1	Confident	80.8	Confident	101 Å²	101	87.1 Å²	87.1	47%	0.472	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.3	168.1	-69.9	-169.6	-7.9	0	0	108.5	F22 V80 V81	Q5-F22 CarbonylContact C-O 3.59Å; Q5-F22 WeakPolarHBondContact CA-O 3.25Å; Q5-V80 HydrophobicContact CB-CG2 4.1Å; Q5-V80 CarbonylContact O-C 3.49Å; Q5-V80 WeakPolarHBondContact O-CA 3.39Å; Q5-V81 PolarHBondContact O-N 3.49Å
6	T	85.1	Confident	80.8	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.8	-177.4	60.3	0	0	0	0	110.2	L4 F22 I24 L66 V81 I83	L4-T6 HydrophobicContact CB-CG2 4.32Å; T6-F22 PolarHBondContact N-O 3.46Å; T6-F22 PolarHBondContact O-N 3.08Å; T6-F22 PolarHBondContact OG1-O 2.99Å; T6-I24 HydrophobicContact CG2-CB 4.49Å; T6-I24 HydrophobicContact CG2-CD1 4.33Å; T6-I24 WeakPolarHBondContact OG1-CD1 3.14Å; T6-I24 WeakPolarHBondContact OG1-CG1 3.34Å; T6-L66 HydrophobicContact CG2-CD2 4.19Å; T6-V81 CarbonylContact C-O 3.54Å; T6-V81 VanDerWaalsContact CA-O 3.22Å; T6-V81 WeakPolarHBondContact CA-O 3.41Å; T6-V81 HydrophobicContact CG2-CB 4.35Å; T6-I83 HydrophobicContact CG2-CD1 3.78Å
7	R	87.7	Confident	80.9	Confident	74 Å²	74	80.2 Å²	80.2	28%	0.279	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	171.5	173.4	-175.3	-81	152.2	-0.1	108.5	D19 V80 V81 E82 I83	R7-D19 WeakPolarHBondContact CD-OD1 3.26Å; R7-D19 WeakPolarHBondContact CG-OD1 3.46Å; R7-D19 IonicContact CZ-OD1 3.5Å; R7-D19 IonicContact NE-OD1 2.78Å; R7-D19 PolarHBondContact NE-OD1 3.14Å; R7-V80 HydrophobicContact CB-CG1 3.91Å; R7-V81 PolarHBondContact N-O 3.19Å; R7-E82 HydrophobicContact CB-CG 4.48Å; R7-E82 IonicContact NH1-OE1 3.84Å; R7-E82 PolarHBondContact NH1-OE1 3.31Å; R7-I83 PolarHBondContact O-N 3.16Å
8	F	87.6	Confident	80.8	Confident	4 Å²	4	81.7 Å²	81.7	2%	0.018	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133	175.2	-67.1	-67.4	0	0	0	110.6	F22 I24 L33 I36 I37 F55 I83 Y85	F8-F22 HydrophobicContact CD2-CD2 4.08Å; F8-F22 HydrophobicContact CE2-CD2 4.49Å; F8-I24 HydrophobicContact CE1-CD1 4.45Å; F8-I24 HydrophobicContact CE2-CD1 3.48Å; F8-I24 VanDerWaalsContact CE2-CD1 3.48Å; F8-I24 HydrophobicContact CZ-CD1 3.29Å; F8-L33 HydrophobicContact CE1-CD2 4.31Å; F8-L33 HydrophobicContact CZ-CD2 3.97Å; F8-I36 HydrophobicContact CE2-CG2 4.17Å; F8-I37 HydrophobicContact CD1-CD1 4.01Å; F8-I37 HydrophobicContact CD1-CG1 4.5Å; F8-I37 HydrophobicContact CE1-CD1 4.27Å; F8-I37 HydrophobicContact CG-CD1 4.34Å; F8-F55 HydrophobicContact CD1-CE1 4.44Å; F8-F55 HydrophobicContact CE1-CD1 4.3Å; F8-F55 AromaticContact CE1-CE1 4Å; F8-F55 HydrophobicContact CE1-CE1 4Å; F8-I83 WeakPolarHBondContact CA-O 3.47Å; F8-I83 HydrophobicContact CD1-CB 3.99Å; F8-I83 HydrophobicContact CD1-CG2 4.24Å; F8-I83 HydrophobicContact CE1-CB 4.19Å; F8-I83 HydrophobicContact CE1-CD1 4.15Å; F8-I83 HydrophobicContact CE1-CG2 4.22Å; F8-Y85 HydrophobicContact CB-CD1 4.03Å; F8-Y85 HydrophobicContact CB-CE1 3.78Å; F8-Y85 HydrophobicContact CD1-CD1 4.32Å
9	Y	87.1	Confident	80.5	Confident	91 Å²	91	83.1 Å²	83.1	36%	0.357	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.1	170.2	73.5	-88.2	0	0	0	110.8	E82 I83 E84 Y85	Y9-E82 HydrophobicContact CD1-CB 4.36Å; Y9-E82 HydrophobicContact CE1-CB 3.99Å; Y9-I83 PolarHBondContact N-O 3.08Å; Y9-E84 HydrophobicContact CD2-CB 4.45Å; Y9-E84 HydrophobicContact CD2-CG 4.19Å; Y9-E84 HydrophobicContact CE1-CB 4.05Å; Y9-E84 HydrophobicContact CE2-CB 3.77Å; Y9-E84 HydrophobicContact CE2-CG 3.6Å; Y9-E84 CarbonylContact O-C 3.57Å; Y9-E84 VanDerWaalsContact O-CA 3.27Å; Y9-E84 WeakPolarHBondContact O-CA 3.38Å; Y9-E84 PolarHBondContact OH-OE2 2.78Å; Y9-Y85 VanDerWaalsContact C-CE1 3.47Å; Y9-Y85 WeakPolarHBondContact O-CD1 3.24Å; Y9-Y85 WeakPolarHBondContact O-CE1 3.43Å; Y9-Y85 PolarHBondContact O-N 3.47Å
10	T	84.8	Confident	80.6	Confident	24 Å²	24	82.6 Å²	82.6	15%	0.147	41%	0.414	C	S	.	.			trans	-147.4	144.9	175.7	-171.2	0	0	0	0	109.8	N12 Y85	T10-N12 VanDerWaalsContact C-N 3.26Å; T10-N12 WeakPolarHBondContact CG2-O 3.44Å; T10-N12 PolarHBondContact OG1-N 3.4Å; T10-Y85 VanDerWaalsContact CB-CZ 3.48Å; T10-Y85 WeakPolarHBondContact CB-O 3.4Å; T10-Y85 HydrophobicContact CG2-CD2 4.48Å; T10-Y85 HydrophobicContact CG2-CE1 4.05Å; T10-Y85 HydrophobicContact CG2-CE2 3.64Å; T10-Y85 VanDerWaalsContact CG2-OH 3.23Å; T10-Y85 WeakPolarHBondContact CG2-OH 3.34Å; T10-Y85 PolarHBondContact OG1-O 2.79Å
11	D	78.6	Confident	80.8	Confident	126 Å²	126	81.7 Å²	81.7	67%	0.674	41%	0.414	S	S	*	.	S	Bend	trans	-76.6	-18.8	171.4	-68.2	-23.1	0	0	0	111.8	K13	D11-K13 PolarHBondContact O-N 2.9Å; D11-K13 VanDerWaalsContact O-N 3.15Å
12	N	78.2	Confident	82	Confident	59 Å²	59	74.3 Å²	74.3	32%	0.316	38%	0.376	S	S	.	.			trans	-81	99.7	-179.8	-167.9	-13.4	0	0	0	111.1	T10 K14 Y15 A16	T10-N12 VanDerWaalsContact C-N 3.26Å; T10-N12 WeakPolarHBondContact CG2-O 3.44Å; T10-N12 PolarHBondContact OG1-N 3.4Å; N12-K14 PolarHBondContact O-N 2.64Å; N12-K14 WeakPolarHBondContact OD1-CB 3.38Å; N12-K14 PolarHBondContact OD1-N 3.08Å; N12-Y15 HydrophobicContact CB-CD2 4.32Å; N12-Y15 WeakPolarHBondContact ND2-CD2 3.33Å; N12-Y15 PolarHBondContact O-N 3.45Å; N12-A16 PolarHBondContact O-N 3.27Å
13	K	77.9	Confident	82.5	Confident	196 Å²	196	74.7 Å²	74.7	85%	0.852	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-52.6	-25.5	179.9	-64	-174.5	-178.6	179.5	0	114.4	D11 Y15	D11-K13 PolarHBondContact O-N 2.9Å; D11-K13 VanDerWaalsContact O-N 3.15Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.24Å
14	K	77.2	Confident	82.7	Confident	168 Å²	168	68.3 Å²	68.3	73%	0.73	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.8	-32.1	177.8	-65.9	-179.2	179.7	177.4	0	112.8	N12	N12-K14 PolarHBondContact O-N 2.64Å; N12-K14 WeakPolarHBondContact OD1-CB 3.38Å; N12-K14 PolarHBondContact OD1-N 3.08Å
15	Y	79.3	Confident	82.8	Confident	40 Å²	40	70.7 Å²	70.7	16%	0.157	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-110.6	18.9	-176.9	-56.9	-58.3	0	0	0	112.1	N12 K13 V17 L41 H48 V51 F53 Y85	N12-Y15 HydrophobicContact CB-CD2 4.32Å; N12-Y15 WeakPolarHBondContact ND2-CD2 3.33Å; N12-Y15 PolarHBondContact O-N 3.45Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.24Å; Y15-V17 PolarHBondContact O-N 2.81Å; Y15-L41 HydrophobicContact CD1-CD1 3.87Å; Y15-L41 HydrophobicContact CG-CD1 4.45Å; Y15-H48 AromaticContact CD1-CE1 3.99Å; Y15-H48 AromaticContact CE1-CE1 3.77Å; Y15-V51 HydrophobicContact CE1-CG2 4.08Å; Y15-F53 HydrophobicContact CD1-CE1 4.4Å; Y15-F53 AromaticContact CD1-CZ 3.99Å; Y15-F53 HydrophobicContact CD1-CZ 3.99Å; Y15-F53 AromaticContact CD2-CE1 3.91Å; Y15-F53 HydrophobicContact CD2-CE1 3.91Å; Y15-F53 HydrophobicContact CD2-CZ 4.33Å; Y15-F53 HydrophobicContact CE1-CZ 4.43Å; Y15-F53 HydrophobicContact CE2-CE1 4.39Å; Y15-F53 AromaticContact CG-CE1 3.92Å; Y15-F53 HydrophobicContact CG-CE1 3.92Å; Y15-F53 AromaticContact CG-CZ 3.94Å; Y15-F53 HydrophobicContact CG-CZ 3.94Å; Y15-Y85 WeakPolarHBondContact O-CE2 3.26Å; Y15-Y85 PolarHBondContact O-OH 3.4Å
16	A	81.3	Confident	82.6	Confident	31 Å²	31	66.1 Å²	66.1	26%	0.256	34%	0.341	S	S	.	.			trans	-64.3	125.3	-179.2	0	0	0	0	0	111.3	N12 R44	N12-A16 PolarHBondContact O-N 3.27Å; A16-R44 PolarHBondContact O-NH1 3.07Å
17	V	81.5	Confident	82.6	Confident	27 Å²	27	69.5 Å²	69.5	16%	0.164	37%	0.369	C	S	.	.			trans	-104.1	160	172.3	178.5	0	0	0	0	108.7	Y15 I37 L40 L41 Y85	Y15-V17 PolarHBondContact O-N 2.81Å; V17-I37 HydrophobicContact CG2-CG2 4.42Å; V17-L40 HydrophobicContact CG1-CB 4.01Å; V17-L40 HydrophobicContact CG1-CD1 3.79Å; V17-L40 HydrophobicContact CG1-CG 4.43Å; V17-L40 HydrophobicContact CG2-CB 4.29Å; V17-L41 HydrophobicContact CG2-CD2 3.9Å; V17-L41 HydrophobicContact CG2-CG 4.14Å; V17-Y85 WeakPolarHBondContact CG2-OH 3.17Å; V17-Y85 PolarHBondContact N-OH 3.01Å
18	D	78.7	Confident	82.6	Confident	106 Å²	106	66.3 Å²	66.3	57%	0.567	36%	0.358	S	S	*	.			trans	-62.8	137.5	177.1	-64.5	-29.3	0	0	0	111.4	V20	D18-V20 HydrophobicContact CB-CG2 4.13Å; D18-V20 PolarHBondContact O-N 3.12Å
19	D	76.3	Confident	82.6	Confident	108 Å²	108	71.3 Å²	71.3	58%	0.578	38%	0.381	S	S	*	.			trans	-77.9	70.8	-178.5	-175.2	9.7	0	0	0	111.2	R7	R7-D19 WeakPolarHBondContact CD-OD1 3.26Å; R7-D19 WeakPolarHBondContact CG-OD1 3.46Å; R7-D19 IonicContact CZ-OD1 3.5Å; R7-D19 IonicContact NE-OD1 2.78Å; R7-D19 PolarHBondContact NE-OD1 3.14Å
20	V	83.1	Confident	82.5	Confident	74 Å²	74	69 Å²	69	45%	0.448	38%	0.375	S	S	.	.			trans	-123.2	138.1	-179.5	-172.4	0	0	0	0	109.7	D18 F22	D18-V20 HydrophobicContact CB-CG2 4.13Å; D18-V20 PolarHBondContact O-N 3.12Å; V20-F22 HydrophobicContact CB-CE2 4.37Å; V20-F22 WeakPolarHBondContact O-CD2 3.41Å; V20-F22 VanDerWaalsContact O-CE2 3.23Å; V20-F22 WeakPolarHBondContact O-CE2 3.32Å; V20-F22 PolarHBondContact O-N 2.94Å
21	P	84.7	Confident	82.6	Confident	63 Å²	63	70.6 Å²	70.6	41%	0.409	39%	0.39	S	S	.	.			trans	-66.4	127.4	173.2	-18.6	31.3	0	0	0	111.6	V80	P21-V80 HydrophobicContact CB-CG1 4.48Å
22	F	83.8	Confident	83	Confident	58 Å²	58	68.2 Å²	68.2	25%	0.254	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.8	175.1	-68.5	-83.2	0	0	0	111	Q5 T6 F8 V20 I24 L40	Q5-F22 CarbonylContact C-O 3.59Å; Q5-F22 WeakPolarHBondContact CA-O 3.25Å; T6-F22 PolarHBondContact N-O 3.46Å; T6-F22 PolarHBondContact O-N 3.08Å; T6-F22 PolarHBondContact OG1-O 2.99Å; F8-F22 HydrophobicContact CD2-CD2 4.08Å; F8-F22 HydrophobicContact CE2-CD2 4.49Å; V20-F22 HydrophobicContact CB-CE2 4.37Å; V20-F22 WeakPolarHBondContact O-CD2 3.41Å; V20-F22 VanDerWaalsContact O-CE2 3.23Å; V20-F22 WeakPolarHBondContact O-CE2 3.32Å; V20-F22 PolarHBondContact O-N 2.94Å; F22-I24 HydrophobicContact CB-CG1 4.32Å; F22-L40 HydrophobicContact CE1-CD1 4.29Å; F22-L40 HydrophobicContact CE1-CD2 4.11Å; F22-L40 HydrophobicContact CE2-CD1 4.11Å; F22-L40 HydrophobicContact CZ-CD1 3.87Å; F22-L40 HydrophobicContact CZ-CD2 4.06Å
23	S	85.9	Confident	83.4	Confident	75 Å²	75	65.4 Å²	65.4	52%	0.524	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.5	172.1	-63.8	0	0	0	0	110.1	L4	L4-S23 WeakPolarHBondContact O-CA 3.37Å
24	I	86.7	Confident	83.9	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.1	-174.1	-57.5	-174.3	0	0	0	110.1	Q3 L4 T6 F8 F22 A26 S28 L33 I36	Q3-I24 WeakPolarHBondContact CA-O 3.39Å; L4-I24 PolarHBondContact N-O 3.47Å; L4-I24 PolarHBondContact O-N 2.98Å; T6-I24 HydrophobicContact CG2-CB 4.49Å; T6-I24 HydrophobicContact CG2-CD1 4.33Å; T6-I24 WeakPolarHBondContact OG1-CD1 3.14Å; T6-I24 WeakPolarHBondContact OG1-CG1 3.34Å; F8-I24 HydrophobicContact CE1-CD1 4.45Å; F8-I24 HydrophobicContact CE2-CD1 3.48Å; F8-I24 VanDerWaalsContact CE2-CD1 3.48Å; F8-I24 HydrophobicContact CZ-CD1 3.29Å; F22-I24 HydrophobicContact CB-CG1 4.32Å; I24-A26 PolarHBondContact O-N 3.47Å; I24-S28 VanDerWaalsContact CG2-OG 3.26Å; I24-S28 WeakPolarHBondContact CG2-OG 3.35Å; I24-L33 HydrophobicContact CD1-CD2 3.86Å; I24-L33 HydrophobicContact CG2-CD2 3.92Å; I24-I36 HydrophobicContact CD1-CD1 4.03Å; I24-I36 HydrophobicContact CG1-CD1 4.29Å; I24-I36 HydrophobicContact CG2-CD1 4.05Å
25	P	86.9	Confident	84.4	Confident	56 Å²	56	51.2 Å²	51.2	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.5	172.6	-22.3	33.1	0	0	0	111.7	A27 S28	P25-A27 PolarHBondContact O-N 3.16Å; P25-A27 VanDerWaalsContact O-N 3.14Å; P25-S28 VanDerWaalsContact O-CB 3.25Å; P25-S28 WeakPolarHBondContact O-CB 3.15Å; P25-S28 PolarHBondContact O-N 3.06Å; P25-S28 PolarHBondContact O-OG 2.98Å
26	A	82.5	Confident	84.8	Confident	5 Å²	5	51.6 Å²	51.6	4%	0.041	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.9	-178.3	0	0	0	0	0	114.6	A2 L4 I24 S28 I67	A2-A26 HydrophobicContact CB-CB 3.98Å; A2-A26 WeakPolarHBondContact O-CB 3.38Å; A2-A26 PolarHBondContact O-N 3.22Å; L4-A26 HydrophobicContact CD1-CB 3.44Å; L4-A26 VanDerWaalsContact CD1-CB 3.44Å; L4-A26 HydrophobicContact CG-CB 4.09Å; I24-A26 PolarHBondContact O-N 3.47Å; A26-S28 VanDerWaalsContact C-N 3.28Å; A26-I67 HydrophobicContact CB-CB 4.18Å; A26-I67 HydrophobicContact CB-CD1 4.22Å; A26-I67 WeakPolarHBondContact O-CB 3.26Å; A26-I67 PolarHBondContact O-N 3.47Å
27	A	85.9	Confident	85	Confident	72 Å²	72	50.1 Å²	50.1	60%	0.595	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.1	174.2	0	0	0	0	0	113.5	P25 E29	P25-A27 PolarHBondContact O-N 3.16Å; P25-A27 VanDerWaalsContact O-N 3.14Å; A27-E29 PolarHBondContact O-N 3.32Å
28	S	86.4	Confident	85.3	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	29%	0.291	C	S	.	.			trans	-60.8	135.8	-175.6	-57.5	0	0	0	0	111.4	I24 P25 A26 L66	I24-S28 VanDerWaalsContact CG2-OG 3.26Å; I24-S28 WeakPolarHBondContact CG2-OG 3.35Å; P25-S28 VanDerWaalsContact O-CB 3.25Å; P25-S28 WeakPolarHBondContact O-CB 3.15Å; P25-S28 PolarHBondContact O-N 3.06Å; P25-S28 PolarHBondContact O-OG 2.98Å; A26-S28 VanDerWaalsContact C-N 3.28Å; S28-L66 PolarHBondContact O-N 2.87Å
29	E	88	Confident	85.7	Confident	109 Å²	109	51.1 Å²	51.1	51%	0.509	29%	0.293	S	S	.	.			trans	-98.5	176.3	174	-63.5	-174	175.4	0	0	111	A27 A31 D32 L33 P65	A27-E29 PolarHBondContact O-N 3.32Å; E29-A31 PolarHBondContact O-N 3.39Å; E29-D32 PolarHBondContact N-OD2 3.5Å; E29-D32 VanDerWaalsContact N-OD2 3.08Å; E29-D32 PolarHBondContact O-N 3.18Å; E29-D32 VanDerWaalsContact O-N 3.08Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 2.96Å; E29-P65 HydrophobicContact CG-CG 4.19Å
30	I	85.8	Confident	86.1	Confident	44 Å²	44	48 Å²	48	23%	0.226	28%	0.277	C	S	.	.	H	α-helix	trans	-53.5	-42.5	179.5	-59.2	166.4	0	0	0	111.2	D32 L33 S34 F53 F55 L62	I30-D32 VanDerWaalsContact C-N 3.34Å; I30-D32 PolarHBondContact O-N 2.94Å; I30-L33 PolarHBondContact O-N 3.33Å; I30-S34 WeakPolarHBondContact O-CB 3.4Å; I30-S34 PolarHBondContact O-N 3.48Å; I30-F53 WeakPolarHBondContact CG2-O 3.4Å; I30-F55 HydrophobicContact CB-CD2 4.5Å; I30-F55 HydrophobicContact CG2-CD2 3.96Å; I30-F55 HydrophobicContact CG2-CE2 4.02Å; I30-F55 WeakPolarHBondContact O-CE2 3.42Å; I30-L62 WeakPolarHBondContact CD1-O 3.29Å; I30-L62 HydrophobicContact CG1-CD2 4.46Å; I30-L62 HydrophobicContact CG1-CG 4.47Å; I30-L62 WeakPolarHBondContact CG1-O 3.49Å
31	A	85.4	Confident	86.2	Confident	57 Å²	57	44.7 Å²	44.7	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-39.3	-179.9	0	0	0	0	0	112.2	E29 S34 N35	E29-A31 PolarHBondContact O-N 3.39Å; A31-S34 PolarHBondContact O-N 3.44Å; A31-N35 WeakPolarHBondContact O-CB 2.97Å; A31-N35 PolarHBondContact O-N 3.13Å; A31-N35 PolarHBondContact O-ND2 3.35Å; A31-N35 VanDerWaalsContact O-ND2 3.12Å
32	D	87.8	Confident	86.2	Confident	75 Å²	75	47.8 Å²	47.8	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-45.5	178.4	-60.7	-42.9	0	0	0	111.1	E29 I30 S34 N35 I36	E29-D32 PolarHBondContact N-OD2 3.5Å; E29-D32 VanDerWaalsContact N-OD2 3.08Å; E29-D32 PolarHBondContact O-N 3.18Å; E29-D32 VanDerWaalsContact O-N 3.08Å; I30-D32 VanDerWaalsContact C-N 3.34Å; I30-D32 PolarHBondContact O-N 2.94Å; D32-S34 VanDerWaalsContact C-N 3.33Å; D32-S34 PolarHBondContact O-N 3.23Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.19Å; D32-I36 WeakPolarHBondContact O-CG1 3.02Å; D32-I36 PolarHBondContact O-N 3.4Å
33	L	86.2	Confident	86.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.6	-63.5	173.6	0	0	0	111.1	F8 I24 E29 I30 N35 I36 I37 F55 L62 L66	F8-L33 HydrophobicContact CE1-CD2 4.31Å; F8-L33 HydrophobicContact CZ-CD2 3.97Å; I24-L33 HydrophobicContact CD1-CD2 3.86Å; I24-L33 HydrophobicContact CG2-CD2 3.92Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 2.96Å; I30-L33 PolarHBondContact O-N 3.33Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.09Å; L33-I36 WeakPolarHBondContact O-CB 3.44Å; L33-I36 PolarHBondContact O-N 2.83Å; L33-I37 PolarHBondContact O-N 2.89Å; L33-F55 VanDerWaalsContact C-CZ 3.4Å; L33-F55 HydrophobicContact CB-CD1 4.25Å; L33-F55 HydrophobicContact CB-CD2 4.04Å; L33-F55 HydrophobicContact CB-CE1 3.68Å; L33-F55 HydrophobicContact CB-CE2 3.5Å; L33-F55 VanDerWaalsContact CB-CE2 3.5Å; L33-F55 HydrophobicContact CB-CG 4.41Å; L33-F55 HydrophobicContact CB-CZ 3.3Å; L33-F55 HydrophobicContact CD1-CD1 4.29Å; L33-F55 HydrophobicContact CD1-CD2 4.1Å; L33-F55 HydrophobicContact CD1-CE2 4.41Å; L33-F55 HydrophobicContact CD1-CG 4.06Å; L33-L62 HydrophobicContact CD1-CD2 3.53Å; L33-L66 HydrophobicContact CD1-CD1 4.5Å
34	S	88.3	Confident	85.8	Confident	3 Å²	3	55 Å²	55	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-39.2	175.9	-173.7	0	0	0	0	111.4	I30 A31 D32 I36 I37 N38 V51 F53	I30-S34 WeakPolarHBondContact O-CB 3.4Å; I30-S34 PolarHBondContact O-N 3.48Å; A31-S34 PolarHBondContact O-N 3.44Å; D32-S34 VanDerWaalsContact C-N 3.33Å; D32-S34 PolarHBondContact O-N 3.23Å; S34-I36 VanDerWaalsContact C-N 3.33Å; S34-I36 PolarHBondContact O-N 3.01Å; S34-I37 PolarHBondContact O-N 3.13Å; S34-N38 WeakPolarHBondContact O-CB 3.45Å; S34-N38 PolarHBondContact O-N 3.23Å; S34-N38 PolarHBondContact O-ND2 3.27Å; S34-N38 PolarHBondContact OG-ND2 2.87Å; S34-V51 PolarHBondContact OG-O 2.9Å; S34-F53 PolarHBondContact OG-N 2.99Å
35	N	88.1	Confident	85.3	Confident	64 Å²	64	59.1 Å²	59.1	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-37.2	174	-71.4	-27.6	0	0	0	112.7	A31 D32 L33 K39 Y50	A31-N35 WeakPolarHBondContact O-CB 2.97Å; A31-N35 PolarHBondContact O-N 3.13Å; A31-N35 PolarHBondContact O-ND2 3.35Å; A31-N35 VanDerWaalsContact O-ND2 3.12Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.19Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.09Å; N35-K39 WeakPolarHBondContact O-CG 3.41Å; N35-K39 PolarHBondContact O-N 3.41Å; N35-K39 VanDerWaalsContact O-N 3.13Å; N35-Y50 VanDerWaalsContact OD1-CE2 3.24Å; N35-Y50 WeakPolarHBondContact OD1-CE2 3.17Å; N35-Y50 PolarHBondContact OD1-OH 3.19Å
36	I	87.6	Confident	84.5	Confident	48 Å²	48	64.7 Å²	64.7	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-50.2	175.8	-68.3	165.1	0	0	0	110	F8 I24 D32 L33 S34 N38 K39 L40	F8-I36 HydrophobicContact CE2-CG2 4.17Å; I24-I36 HydrophobicContact CD1-CD1 4.03Å; I24-I36 HydrophobicContact CG1-CD1 4.29Å; I24-I36 HydrophobicContact CG2-CD1 4.05Å; D32-I36 WeakPolarHBondContact O-CG1 3.02Å; D32-I36 PolarHBondContact O-N 3.4Å; L33-I36 WeakPolarHBondContact O-CB 3.44Å; L33-I36 PolarHBondContact O-N 2.83Å; S34-I36 VanDerWaalsContact C-N 3.33Å; S34-I36 PolarHBondContact O-N 3.01Å; I36-N38 PolarHBondContact O-N 2.99Å; I36-K39 PolarHBondContact O-N 3.32Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.07Å; I36-L40 PolarHBondContact O-N 3.39Å; I36-L40 VanDerWaalsContact O-N 3.1Å
37	I	85.9	Confident	83.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-44.3	179.7	-66.9	-170.6	0	0	0	111.5	F8 V17 L33 S34 K39 L40 L41 F53 F55 Y85	F8-I37 HydrophobicContact CD1-CD1 4.01Å; F8-I37 HydrophobicContact CD1-CG1 4.5Å; F8-I37 HydrophobicContact CE1-CD1 4.27Å; F8-I37 HydrophobicContact CG-CD1 4.34Å; V17-I37 HydrophobicContact CG2-CG2 4.42Å; L33-I37 PolarHBondContact O-N 2.89Å; S34-I37 PolarHBondContact O-N 3.13Å; I37-K39 VanDerWaalsContact C-N 3.27Å; I37-K39 PolarHBondContact O-N 3.46Å; I37-L40 PolarHBondContact O-N 3.27Å; I37-L41 HydrophobicContact CG2-CD1 3.7Å; I37-L41 HydrophobicContact CG2-CG 4.15Å; I37-L41 WeakPolarHBondContact O-CB 3.5Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 3.26Å; I37-F53 HydrophobicContact CB-CD2 4.27Å; I37-F53 HydrophobicContact CB-CE2 4.35Å; I37-F53 HydrophobicContact CG2-CD2 3.92Å; I37-F53 HydrophobicContact CG2-CE2 3.62Å; I37-F53 HydrophobicContact CG2-CZ 4.16Å; I37-F55 HydrophobicContact CD1-CE1 3.49Å; I37-F55 VanDerWaalsContact CD1-CE1 3.49Å; I37-F55 HydrophobicContact CD1-CZ 4.01Å; I37-F55 HydrophobicContact CG1-CE1 4.38Å; I37-Y85 HydrophobicContact CD1-CD1 3.47Å; I37-Y85 VanDerWaalsContact CD1-CD1 3.47Å; I37-Y85 HydrophobicContact CD1-CD2 3.56Å; I37-Y85 HydrophobicContact CD1-CE1 3.88Å; I37-Y85 HydrophobicContact CD1-CE2 3.95Å; I37-Y85 HydrophobicContact CD1-CG 3.29Å; I37-Y85 HydrophobicContact CG2-CD2 4.27Å; I37-Y85 HydrophobicContact CG2-CE2 3.98Å
38	N	86.7	Confident	83.4	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-33.2	178.7	-80.3	-66.2	0	0	0	113	S34 I36 K42 H48 Y50 V51	S34-N38 WeakPolarHBondContact O-CB 3.45Å; S34-N38 PolarHBondContact O-N 3.23Å; S34-N38 PolarHBondContact O-ND2 3.27Å; S34-N38 PolarHBondContact OG-ND2 2.87Å; I36-N38 PolarHBondContact O-N 2.99Å; N38-K42 VanDerWaalsContact O-CB 3.28Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 2.67Å; N38-H48 PolarHBondContact OD1-NE2 2.88Å; N38-Y50 HydrophobicContact CB-CD2 3.85Å; N38-Y50 HydrophobicContact CB-CE2 4.05Å; N38-Y50 WeakPolarHBondContact ND2-CE2 3.01Å; N38-V51 PolarHBondContact ND2-O 3.23Å; N38-V51 PolarHBondContact OD1-N 3.1Å; N38-V51 PolarHBondContact OD1-O 3.13Å
39	K	86.9	Confident	83	Confident	143 Å²	143	79.7 Å²	79.7	62%	0.622	38%	0.382	S	S	*	.	H	α-helix	trans	-65.8	-49	172.6	-75.5	174.2	-178.6	177.8	0	111.2	N35 I36 I37 L41 K42 D43	N35-K39 WeakPolarHBondContact O-CG 3.41Å; N35-K39 PolarHBondContact O-N 3.41Å; N35-K39 VanDerWaalsContact O-N 3.13Å; I36-K39 PolarHBondContact O-N 3.32Å; I37-K39 VanDerWaalsContact C-N 3.27Å; I37-K39 PolarHBondContact O-N 3.46Å; K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 2.94Å; K39-K42 PolarHBondContact O-N 3.45Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K39-D43 VanDerWaalsContact O-CG 3.32Å; K39-D43 PolarHBondContact O-N 3.47Å
40	L	85.2	Confident	82.7	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-39.3	178.1	-65.5	171	0	0	0	112.1	V17 F22 I36 I37 R44	V17-L40 HydrophobicContact CG1-CB 4.01Å; V17-L40 HydrophobicContact CG1-CD1 3.79Å; V17-L40 HydrophobicContact CG1-CG 4.43Å; V17-L40 HydrophobicContact CG2-CB 4.29Å; F22-L40 HydrophobicContact CE1-CD1 4.29Å; F22-L40 HydrophobicContact CE1-CD2 4.11Å; F22-L40 HydrophobicContact CE2-CD1 4.11Å; F22-L40 HydrophobicContact CZ-CD1 3.87Å; F22-L40 HydrophobicContact CZ-CD2 4.06Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.07Å; I36-L40 PolarHBondContact O-N 3.39Å; I36-L40 VanDerWaalsContact O-N 3.1Å; I37-L40 PolarHBondContact O-N 3.27Å; L40-R44 PolarHBondContact O-N 2.82Å
41	L	85.1	Confident	82.6	Confident	4 Å²	4	79.3 Å²	79.3	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-37.3	176.2	-70.9	173.1	0	0	0	112.8	Y15 V17 I37 K39 D43 R44 N45 F53	Y15-L41 HydrophobicContact CD1-CD1 3.87Å; Y15-L41 HydrophobicContact CG-CD1 4.45Å; V17-L41 HydrophobicContact CG2-CD2 3.9Å; V17-L41 HydrophobicContact CG2-CG 4.14Å; I37-L41 HydrophobicContact CG2-CD1 3.7Å; I37-L41 HydrophobicContact CG2-CG 4.15Å; I37-L41 WeakPolarHBondContact O-CB 3.5Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 3.26Å; K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 2.94Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-R44 PolarHBondContact O-N 3.39Å; L41-N45 PolarHBondContact O-N 2.74Å; L41-F53 HydrophobicContact CD1-CE2 4.15Å; L41-F53 HydrophobicContact CD1-CZ 3.93Å
42	K	84.9	Confident	82.5	Confident	127 Å²	127	81.3 Å²	81.3	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-36.3	176.5	-170.8	177.8	-178.2	-179.1	0	112.1	N38 K39 R44 N45	N38-K42 VanDerWaalsContact O-CB 3.28Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 2.67Å; K39-K42 PolarHBondContact O-N 3.45Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K42-R44 PolarHBondContact O-N 3.05Å; K42-N45 CarbonylContact O-C 3.3Å; K42-N45 VanDerWaalsContact O-C 3.3Å; K42-N45 PolarHBondContact O-N 3.2Å
43	D	81.6	Confident	82.5	Confident	136 Å²	136	77.8 Å²	77.8	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-66.1	-30	175.7	-66.9	-18.8	0	0	0	111.7	K39 L41	K39-D43 VanDerWaalsContact O-CG 3.32Å; K39-D43 PolarHBondContact O-N 3.47Å; L41-D43 VanDerWaalsContact C-N 3.34Å
44	R	78.9	Confident	82.5	Confident	149 Å²	149	77.9 Å²	77.9	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-83.2	-38.9	176.1	-165.5	179.1	-174.2	170.2	11.4	113.1	A16 L40 L41 K42	A16-R44 PolarHBondContact O-NH1 3.07Å; L40-R44 PolarHBondContact O-N 2.82Å; L41-R44 PolarHBondContact O-N 3.39Å; K42-R44 PolarHBondContact O-N 3.05Å
45	N	77.4	Confident	82.4	Confident	90 Å²	90	77.8 Å²	77.8	48%	0.481	36%	0.356	S	S	.	.			trans	-133.1	104.9	-176.7	-73.4	-24.4	0	0	0	110.1	L41 K42 F47 H48	L41-N45 PolarHBondContact O-N 2.74Å; K42-N45 CarbonylContact O-C 3.3Å; K42-N45 VanDerWaalsContact O-C 3.3Å; K42-N45 PolarHBondContact O-N 3.2Å; N45-F47 PolarHBondContact O-N 3.35Å; N45-H48 HydrophobicContact CB-CB 4.35Å; N45-H48 VanDerWaalsContact O-CB 3.31Å; N45-H48 WeakPolarHBondContact O-CB 3.33Å; N45-H48 PolarHBondContact O-N 2.98Å
46	E	69.6	Low	82.3	Confident	172 Å²	172	75 Å²	75	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	-177.6	-72.6	-174.5	154.3	0	0	114.2
47	F	70.6	Confident	82.2	Confident	198 Å²	198	72.7 Å²	72.7	87%	0.868	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9.8	178.5	-64.1	-78	0	0	0	114.4	N45 K49	N45-F47 PolarHBondContact O-N 3.35Å; F47-K49 PolarHBondContact O-N 2.93Å
48	H	75.7	Confident	82	Confident	37 Å²	37	79.4 Å²	79.4	17%	0.171	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66.2	121.5	178.1	-177.4	62.9	0	0	0	111.2	Y15 N38 N45	Y15-H48 AromaticContact CD1-CE1 3.99Å; Y15-H48 AromaticContact CE1-CE1 3.77Å; N38-H48 PolarHBondContact OD1-NE2 2.88Å; N45-H48 HydrophobicContact CB-CB 4.35Å; N45-H48 VanDerWaalsContact O-CB 3.31Å; N45-H48 WeakPolarHBondContact O-CB 3.33Å; N45-H48 PolarHBondContact O-N 2.98Å
49	K	77.8	Confident	81.6	Confident	163 Å²	163	80.4 Å²	80.4	71%	0.709	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-83	147	170.8	-69.4	-176.9	-178.7	176.8	0	109.1	F47 V51	F47-K49 PolarHBondContact O-N 2.93Å; K49-V51 PolarHBondContact O-N 3.32Å
50	Y	82.2	Confident	81.3	Confident	126 Å²	126	75.2 Å²	75.2	49%	0.494	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.9	129.3	177.2	-174	-90.8	0	0	0	111.1	N35 N38 E52	N35-Y50 VanDerWaalsContact OD1-CE2 3.24Å; N35-Y50 WeakPolarHBondContact OD1-CE2 3.17Å; N35-Y50 PolarHBondContact OD1-OH 3.19Å; N38-Y50 HydrophobicContact CB-CD2 3.85Å; N38-Y50 HydrophobicContact CB-CE2 4.05Å; N38-Y50 WeakPolarHBondContact ND2-CE2 3.01Å; Y50-E52 HydrophobicContact CE1-CG 3.93Å
51	V	82.2	Confident	81.3	Confident	19 Å²	19	73.9 Å²	73.9	12%	0.115	34%	0.342	C	S	.	.			trans	-126.2	131.5	178.2	177.8	0	0	0	0	109.1	Y15 S34 N38 K49 F53 E87	Y15-V51 HydrophobicContact CE1-CG2 4.08Å; S34-V51 PolarHBondContact OG-O 2.9Å; N38-V51 PolarHBondContact ND2-O 3.23Å; N38-V51 PolarHBondContact OD1-N 3.1Å; N38-V51 PolarHBondContact OD1-O 3.13Å; K49-V51 PolarHBondContact O-N 3.32Å; V51-F53 HydrophobicContact CB-CE1 4.49Å; V51-F53 HydrophobicContact CB-CE2 4.02Å; V51-F53 HydrophobicContact CB-CZ 3.87Å; V51-F53 HydrophobicContact CG1-CD1 4.5Å; V51-F53 HydrophobicContact CG1-CE1 3.98Å; V51-F53 HydrophobicContact CG1-CE2 4.28Å; V51-F53 HydrophobicContact CG1-CZ 3.86Å; V51-F53 VanDerWaalsContact O-CD2 3.26Å; V51-F53 WeakPolarHBondContact O-CD2 3.44Å; V51-F53 VanDerWaalsContact O-CE2 3.3Å; V51-F53 WeakPolarHBondContact O-CE2 3.48Å; V51-E87 HydrophobicContact CG1-CG 3.89Å
52	E	84.4	Confident	81.3	Confident	100 Å²	100	73.7 Å²	73.7	47%	0.467	34%	0.341	S	S	.	.			trans	-77	138.1	172.9	-66.5	-169.6	155.7	0	0	110.4	Y50 K88	Y50-E52 HydrophobicContact CE1-CG 3.93Å; E52-K88 HydrophobicContact CB-CB 3.91Å; E52-K88 HydrophobicContact CB-CD 3.74Å; E52-K88 WeakPolarHBondContact O-CB 3.3Å; E52-K88 PolarHBondContact O-N 2.79Å; E52-K88 WeakPolarHBondContact OE2-CD 3.38Å; E52-K88 WeakPolarHBondContact OE2-CE 3.42Å; E52-K88 IonicContact OE2-NZ 3.27Å; E52-K88 PolarHBondContact OE2-NZ 2.76Å
53	F	86.5	Confident	81.1	Confident	1 Å²	1	73.3 Å²	73.3	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.4	-179.2	-64.7	-75.9	0	0	0	110.6	Y15 I30 S34 I37 L41 V51 F55 Y85 V86	Y15-F53 HydrophobicContact CD1-CE1 4.4Å; Y15-F53 AromaticContact CD1-CZ 3.99Å; Y15-F53 HydrophobicContact CD1-CZ 3.99Å; Y15-F53 AromaticContact CD2-CE1 3.91Å; Y15-F53 HydrophobicContact CD2-CE1 3.91Å; Y15-F53 HydrophobicContact CD2-CZ 4.33Å; Y15-F53 HydrophobicContact CE1-CZ 4.43Å; Y15-F53 HydrophobicContact CE2-CE1 4.39Å; Y15-F53 AromaticContact CG-CE1 3.92Å; Y15-F53 HydrophobicContact CG-CE1 3.92Å; Y15-F53 AromaticContact CG-CZ 3.94Å; Y15-F53 HydrophobicContact CG-CZ 3.94Å; I30-F53 WeakPolarHBondContact CG2-O 3.4Å; S34-F53 PolarHBondContact OG-N 2.99Å; I37-F53 HydrophobicContact CB-CD2 4.27Å; I37-F53 HydrophobicContact CB-CE2 4.35Å; I37-F53 HydrophobicContact CG2-CD2 3.92Å; I37-F53 HydrophobicContact CG2-CE2 3.62Å; I37-F53 HydrophobicContact CG2-CZ 4.16Å; L41-F53 HydrophobicContact CD1-CE2 4.15Å; L41-F53 HydrophobicContact CD1-CZ 3.93Å; V51-F53 HydrophobicContact CB-CE1 4.49Å; V51-F53 HydrophobicContact CB-CE2 4.02Å; V51-F53 HydrophobicContact CB-CZ 3.87Å; V51-F53 HydrophobicContact CG1-CD1 4.5Å; V51-F53 HydrophobicContact CG1-CE1 3.98Å; V51-F53 HydrophobicContact CG1-CE2 4.28Å; V51-F53 HydrophobicContact CG1-CZ 3.86Å; V51-F53 VanDerWaalsContact O-CD2 3.26Å; V51-F53 WeakPolarHBondContact O-CD2 3.44Å; V51-F53 VanDerWaalsContact O-CE2 3.3Å; V51-F53 WeakPolarHBondContact O-CE2 3.48Å; F53-F55 HydrophobicContact CB-CE2 4.13Å; F53-F55 HydrophobicContact CB-CZ 3.93Å; F53-F55 WeakPolarHBondContact O-CE2 3.36Å; F53-Y85 AromaticContact CD1-CD2 3.88Å; F53-Y85 HydrophobicContact CD1-CD2 3.88Å; F53-Y85 HydrophobicContact CE1-CD2 4.11Å; F53-Y85 HydrophobicContact CE1-CE2 4.46Å; F53-Y85 HydrophobicContact CG-CD2 4.3Å; F53-V86 CarbonylContact C-O 3.59Å; F53-V86 WeakPolarHBondContact CA-O 3.24Å; F53-V86 WeakPolarHBondContact CD1-O 3.37Å
54	D	85.9	Confident	81.3	Confident	2 Å²	2	70 Å²	70	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	148.3	162.1	-85.4	-44.1	0	0	0	109.1	F61 R63 Y85 V86 K88 Y89	D54-F61 HydrophobicContact CB-CD1 3.97Å; D54-F61 HydrophobicContact CB-CE1 3.94Å; D54-R63 IonicContact OD1-NH1 3.39Å; D54-R63 PolarHBondContact OD1-NH1 3.47Å; D54-Y85 WeakPolarHBondContact O-CA 3.28Å; D54-V86 HydrophobicContact CB-CG2 4.15Å; D54-V86 PolarHBondContact N-O 3.46Å; D54-V86 PolarHBondContact O-N 2.88Å; D54-K88 WeakPolarHBondContact OD2-CA 3.34Å; D54-K88 WeakPolarHBondContact OD2-CG 3.36Å; D54-Y89 PolarHBondContact OD2-N 3.48Å
55	F	87.9	Confident	81.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.2	-174.8	-62.3	-87.7	0	0	0	110.6	F8 I30 L33 I37 F53 F61 L62 I83 E84	F8-F55 HydrophobicContact CD1-CE1 4.44Å; F8-F55 HydrophobicContact CE1-CD1 4.3Å; F8-F55 AromaticContact CE1-CE1 4Å; F8-F55 HydrophobicContact CE1-CE1 4Å; I30-F55 HydrophobicContact CB-CD2 4.5Å; I30-F55 HydrophobicContact CG2-CD2 3.96Å; I30-F55 HydrophobicContact CG2-CE2 4.02Å; I30-F55 WeakPolarHBondContact O-CE2 3.42Å; L33-F55 VanDerWaalsContact C-CZ 3.4Å; L33-F55 HydrophobicContact CB-CD1 4.25Å; L33-F55 HydrophobicContact CB-CD2 4.04Å; L33-F55 HydrophobicContact CB-CE1 3.68Å; L33-F55 HydrophobicContact CB-CE2 3.5Å; L33-F55 VanDerWaalsContact CB-CE2 3.5Å; L33-F55 HydrophobicContact CB-CG 4.41Å; L33-F55 HydrophobicContact CB-CZ 3.3Å; L33-F55 HydrophobicContact CD1-CD1 4.29Å; L33-F55 HydrophobicContact CD1-CD2 4.1Å; L33-F55 HydrophobicContact CD1-CE2 4.41Å; L33-F55 HydrophobicContact CD1-CG 4.06Å; I37-F55 HydrophobicContact CD1-CE1 3.49Å; I37-F55 VanDerWaalsContact CD1-CE1 3.49Å; I37-F55 HydrophobicContact CD1-CZ 4.01Å; I37-F55 HydrophobicContact CG1-CE1 4.38Å; F53-F55 HydrophobicContact CB-CE2 4.13Å; F53-F55 HydrophobicContact CB-CZ 3.93Å; F53-F55 WeakPolarHBondContact O-CE2 3.36Å; F55-F61 CarbonylContact O-C 3.5Å; F55-F61 WeakPolarHBondContact O-CA 3.46Å; F55-L62 HydrophobicContact CB-CB 4.1Å; F55-L62 HydrophobicContact CB-CD2 4.4Å; F55-L62 PolarHBondContact O-N 3.47Å; F55-I83 HydrophobicContact CB-CG2 3.82Å; F55-I83 HydrophobicContact CD1-CG2 3.6Å; F55-I83 HydrophobicContact CG-CG2 4.15Å; F55-E84 CarbonylContact C-O 3.6Å; F55-E84 WeakPolarHBondContact CA-O 3.48Å
56	L	86.1	Confident	82.1	Confident	5 Å²	5	60 Å²	60	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	176.1	-140	77.8	0	0	0	110.1	Q60 F61 E84 R373	L56-Q60 CarbonylContact C-O 3.58Å; L56-Q60 VanDerWaalsContact CA-O 3.3Å; L56-Q60 WeakPolarHBondContact CA-O 3.43Å; L56-Q60 VanDerWaalsContact CD1-C 3.46Å; L56-F61 HydrophobicContact CD1-CB 4.17Å; L56-F61 HydrophobicContact CD1-CD1 3.41Å; L56-F61 VanDerWaalsContact CD1-CD1 3.41Å; L56-F61 HydrophobicContact CD1-CD2 3.54Å; L56-F61 HydrophobicContact CD1-CE1 3.49Å; L56-F61 VanDerWaalsContact CD1-CE1 3.49Å; L56-F61 HydrophobicContact CD1-CE2 3.59Å; L56-F61 HydrophobicContact CD1-CG 3.43Å; L56-F61 VanDerWaalsContact CD1-CG 3.43Å; L56-F61 HydrophobicContact CD1-CZ 3.57Å; L56-E84 HydrophobicContact CB-CB 3.81Å; L56-E84 PolarHBondContact N-O 3.3Å; L56-E84 PolarHBondContact O-N 2.98Å; L56-R373 HydrophobicContact CD2-CB 3.73Å
57	I	85.7	Confident	82.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	175.5	-54.5	-179.9	0	0	0	107.4	G59 Q60 L62 L66 I75 V81 I83	I57-G59 PolarHBondContact O-N 3.48Å; I57-G59 VanDerWaalsContact O-N 3.1Å; I57-Q60 PolarHBondContact N-O 3.13Å; I57-Q60 PolarHBondContact O-N 3.42Å; I57-L62 HydrophobicContact CD1-CD1 4.14Å; I57-L66 HydrophobicContact CD1-CD1 3.43Å; I57-L66 VanDerWaalsContact CD1-CD1 3.43Å; I57-I75 HydrophobicContact CG2-CD1 3.71Å; I57-V81 HydrophobicContact CD1-CG1 4.45Å; I57-V81 HydrophobicContact CG2-CG1 3.84Å; I57-I83 HydrophobicContact CD1-CD1 4.26Å; I57-I83 HydrophobicContact CD1-CG1 4.17Å; I57-I83 HydrophobicContact CG1-CG1 4.1Å; I57-I83 HydrophobicContact CG1-CG2 4.16Å
58	K	80.9	Confident	83.5	Confident	140 Å²	140	51.4 Å²	51.4	61%	0.609	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	39.7	-175.3	-65.4	-170.1	176.1	-178.4	0	113.9	I75	K58-I75 HydrophobicContact CD-CD1 3.92Å; K58-I75 HydrophobicContact CD-CG1 4.09Å; K58-I75 HydrophobicContact CG-CD1 4.27Å
59	G	77.3	Confident	84	Confident	31 Å²	31	49.9 Å²	49.9	32%	0.32	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	24.4	-178.7	0	0	0	0	0	114.4	I57 R373 S374	I57-G59 PolarHBondContact O-N 3.48Å; I57-G59 VanDerWaalsContact O-N 3.1Å; G59-R373 CarbonylContact C-O 3.55Å; G59-R373 VanDerWaalsContact C-O 3.31Å; G59-R373 WeakPolarHBondContact CA-O 3.2Å; G59-S374 WeakPolarHBondContact O-CA 3.29Å
60	Q	82.4	Confident	84.3	Confident	34 Å²	34	42.6 Å²	42.6	16%	0.159	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.5	173.7	-63.7	-171.7	28	0	0	112.1	L56 I57 L62 E73	L56-Q60 CarbonylContact C-O 3.58Å; L56-Q60 VanDerWaalsContact CA-O 3.3Å; L56-Q60 WeakPolarHBondContact CA-O 3.43Å; L56-Q60 VanDerWaalsContact CD1-C 3.46Å; I57-Q60 PolarHBondContact N-O 3.13Å; I57-Q60 PolarHBondContact O-N 3.42Å; Q60-L62 PolarHBondContact O-N 2.98Å; Q60-E73 VanDerWaalsContact CD-CD 3.48Å; Q60-E73 VanDerWaalsContact CD-OE1 3.28Å; Q60-E73 PolarHBondContact NE2-OE1 2.92Å; Q60-E73 PolarHBondContact NE2-OE2 3.23Å; Q60-E73 PolarHBondContact OE1-OE1 2.99Å
61	F	84.3	Confident	84.4	Confident	17 Å²	17	42.7 Å²	42.7	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.7	174.1	-76.4	-74.5	0	0	0	110.6	D54 F55 L56 R63 V86 Y89 D371 S374 L379	D54-F61 HydrophobicContact CB-CD1 3.97Å; D54-F61 HydrophobicContact CB-CE1 3.94Å; F55-F61 CarbonylContact O-C 3.5Å; F55-F61 WeakPolarHBondContact O-CA 3.46Å; L56-F61 HydrophobicContact CD1-CB 4.17Å; L56-F61 HydrophobicContact CD1-CD1 3.41Å; L56-F61 VanDerWaalsContact CD1-CD1 3.41Å; L56-F61 HydrophobicContact CD1-CD2 3.54Å; L56-F61 HydrophobicContact CD1-CE1 3.49Å; L56-F61 VanDerWaalsContact CD1-CE1 3.49Å; L56-F61 HydrophobicContact CD1-CE2 3.59Å; L56-F61 HydrophobicContact CD1-CG 3.43Å; L56-F61 VanDerWaalsContact CD1-CG 3.43Å; L56-F61 HydrophobicContact CD1-CZ 3.57Å; F61-R63 PolarHBondContact O-N 3.19Å; F61-V86 HydrophobicContact CE1-CG2 4.04Å; F61-Y89 HydrophobicContact CE1-CE2 4.37Å; F61-Y89 HydrophobicContact CZ-CD2 4.31Å; F61-Y89 AromaticContact CZ-CE2 3.93Å; F61-Y89 HydrophobicContact CZ-CE2 3.93Å; F61-D371 HydrophobicContact CE2-CB 4Å; F61-S374 VanDerWaalsContact CD2-CB 3.43Å; F61-S374 PolarHBondContact N-OG 3.04Å; F61-L379 HydrophobicContact CD2-CD2 3.73Å; F61-L379 HydrophobicContact CE2-CD2 3.49Å; F61-L379 VanDerWaalsContact CE2-CD2 3.49Å; F61-L379 HydrophobicContact CG-CD2 4.45Å; F61-L379 HydrophobicContact CZ-CD2 4.01Å
62	L	84.1	Confident	84.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.			trans	-68.3	112.5	172.3	-171.6	68.1	0	0	0	108.3	I30 L33 F55 I57 Q60 M64 L66 H69	I30-L62 WeakPolarHBondContact CD1-O 3.29Å; I30-L62 HydrophobicContact CG1-CD2 4.46Å; I30-L62 HydrophobicContact CG1-CG 4.47Å; I30-L62 WeakPolarHBondContact CG1-O 3.49Å; L33-L62 HydrophobicContact CD1-CD2 3.53Å; F55-L62 HydrophobicContact CB-CB 4.1Å; F55-L62 HydrophobicContact CB-CD2 4.4Å; F55-L62 PolarHBondContact O-N 3.47Å; I57-L62 HydrophobicContact CD1-CD1 4.14Å; Q60-L62 PolarHBondContact O-N 2.98Å; L62-M64 WeakPolarHBondContact CD1-O 3.43Å; L62-M64 WeakPolarHBondContact CG-O 3.47Å; L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD2-CD1 4.09Å; L62-H69 HydrophobicContact CD1-CB 3.51Å
63	R	82.5	Confident	84.4	Confident	119 Å²	119	44.4 Å²	44.4	45%	0.449	21%	0.214	S	C	.	.			trans	-117.6	4	176.4	-64.3	-61.6	-162.2	-159.3	3.9	113.2	D54 F61	D54-R63 IonicContact OD1-NH1 3.39Å; D54-R63 PolarHBondContact OD1-NH1 3.47Å; F61-R63 PolarHBondContact O-N 3.19Å
64	M	85.4	Confident	84.1	Confident	66 Å²	66	51.5 Å²	51.5	33%	0.325	25%	0.253	S	S	.	.	S	Bend	trans	-146.1	169.1	-176.7	66.6	-176.8	73.3	0	0	109.7	L62 K68 H69 L72	L62-M64 WeakPolarHBondContact CD1-O 3.43Å; L62-M64 WeakPolarHBondContact CG-O 3.47Å; M64-K68 HydrophobicContact CG-CB 4.11Å; M64-K68 HydrophobicContact SD-CB 3.69Å; M64-H69 HydrophobicContact CG-CB 3.96Å; M64-H69 HydrophobicContact SD-CB 4.47Å; M64-L72 HydrophobicContact CE-CD1 3.55Å; M64-L72 HydrophobicContact SD-CD1 3.41Å; M64-L72 WeakPolarHBondContact SD-CD1 3.48Å
65	P	86.4	Confident	83.8	Confident	30 Å²	30	52.2 Å²	52.2	20%	0.195	26%	0.256	C	S	.	.			trans	-54.5	143.5	176.8	-26.1	34.5	0	0	0	112.1	E29 I67 K68 H69	E29-P65 HydrophobicContact CG-CG 4.19Å; P65-I67 VanDerWaalsContact C-N 3.26Å; P65-I67 PolarHBondContact O-N 3.17Å; P65-I67 VanDerWaalsContact O-N 3.13Å; P65-K68 PolarHBondContact O-N 3.45Å; P65-H69 PolarHBondContact O-N 3.16Å
66	L	85.4	Confident	83.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-49.4	-45.5	-172.6	-161.4	79.5	0	0	0	112.6	L4 T6 S28 L33 I57 L62 K68 H69 M70 I83	L4-L66 HydrophobicContact CB-CD2 4.32Å; L4-L66 HydrophobicContact CD1-CD2 3.52Å; L4-L66 HydrophobicContact CD1-CG 4.26Å; T6-L66 HydrophobicContact CG2-CD2 4.19Å; S28-L66 PolarHBondContact O-N 2.87Å; L33-L66 HydrophobicContact CD1-CD1 4.5Å; I57-L66 HydrophobicContact CD1-CD1 3.43Å; I57-L66 VanDerWaalsContact CD1-CD1 3.43Å; L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD2-CD1 4.09Å; L66-K68 PolarHBondContact O-N 3.19Å; L66-H69 PolarHBondContact O-N 3.39Å; L66-M70 HydrophobicContact CG-SD 4.45Å; L66-M70 WeakPolarHBondContact O-CG 3.47Å; L66-M70 PolarHBondContact O-N 3.04Å; L66-I83 HydrophobicContact CD1-CD1 3.96Å
67	I	85.9	Confident	82.7	Confident	68 Å²	68	58.5 Å²	58.5	35%	0.349	30%	0.3	S	S	.	.	H	α-helix	trans	-59.3	-43.5	180	-165.1	161.4	0	0	0	113.6	A26 P65 H69 M70 E71	A26-I67 HydrophobicContact CB-CB 4.18Å; A26-I67 HydrophobicContact CB-CD1 4.22Å; A26-I67 WeakPolarHBondContact O-CB 3.26Å; A26-I67 PolarHBondContact O-N 3.47Å; P65-I67 VanDerWaalsContact C-N 3.26Å; P65-I67 PolarHBondContact O-N 3.17Å; P65-I67 VanDerWaalsContact O-N 3.13Å; I67-H69 VanDerWaalsContact C-N 3.33Å; I67-H69 PolarHBondContact O-N 3.44Å; I67-M70 PolarHBondContact O-N 3.49Å; I67-E71 WeakPolarHBondContact O-CG 3.4Å; I67-E71 PolarHBondContact O-N 3.34Å
68	K	85.5	Confident	82.1	Confident	120 Å²	120	66.9 Å²	66.9	52%	0.522	34%	0.339	S	S	.	.	H	α-helix	trans	-69	-36.4	179.7	-69.6	-173.8	179.4	176.9	0	111.2	M64 P65 L66 E71 L72	M64-K68 HydrophobicContact CG-CB 4.11Å; M64-K68 HydrophobicContact SD-CB 3.69Å; P65-K68 PolarHBondContact O-N 3.45Å; L66-K68 PolarHBondContact O-N 3.19Å; K68-E71 PolarHBondContact O-N 3.31Å; K68-L72 WeakPolarHBondContact O-CG 3.49Å; K68-L72 PolarHBondContact O-N 2.97Å
69	H	84.7	Confident	82.1	Confident	6 Å²	6	66 Å²	66	3%	0.028	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-43.1	175.8	-174.1	71.3	0	0	0	111.2	L62 M64 P65 L66 I67 L72 E73	L62-H69 HydrophobicContact CD1-CB 3.51Å; M64-H69 HydrophobicContact CG-CB 3.96Å; M64-H69 HydrophobicContact SD-CB 4.47Å; P65-H69 PolarHBondContact O-N 3.16Å; L66-H69 PolarHBondContact O-N 3.39Å; I67-H69 VanDerWaalsContact C-N 3.33Å; I67-H69 PolarHBondContact O-N 3.44Å; H69-L72 PolarHBondContact O-N 2.74Å; H69-E73 WeakPolarHBondContact O-CB 3.44Å; H69-E73 PolarHBondContact O-N 2.9Å
70	M	84.1	Confident	82.4	Confident	9 Å²	9	67 Å²	67	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-41.4	175.9	-69.8	-176.3	72.4	0	0	112.8	L4 L66 I67 E73 N74 I75 S76 V81	L4-M70 HydrophobicContact CD1-SD 3.4Å; L4-M70 WeakPolarHBondContact CD1-SD 3.47Å; L4-M70 HydrophobicContact CD2-CE 3.64Å; L4-M70 HydrophobicContact CD2-SD 3.6Å; L4-M70 HydrophobicContact CG-SD 4.14Å; L66-M70 HydrophobicContact CG-SD 4.45Å; L66-M70 WeakPolarHBondContact O-CG 3.47Å; L66-M70 PolarHBondContact O-N 3.04Å; I67-M70 PolarHBondContact O-N 3.49Å; M70-E73 CarbonylContact O-C 3.58Å; M70-E73 PolarHBondContact O-N 2.67Å; M70-N74 WeakPolarHBondContact O-CA 3.47Å; M70-N74 PolarHBondContact O-N 3.41Å; M70-I75 HydrophobicContact CB-CB 4.2Å; M70-I75 HydrophobicContact CE-CB 3.98Å; M70-I75 HydrophobicContact CE-CG2 3.74Å; M70-I75 HydrophobicContact CG-CB 4.23Å; M70-I75 PolarHBondContact O-N 3.25Å; M70-S76 WeakPolarHBondContact CE-O 3.28Å; M70-V81 HydrophobicContact CE-CG2 3.52Å; M70-V81 HydrophobicContact SD-CG2 3.98Å
71	E	85.8	Confident	82.5	Confident	129 Å²	129	65.7 Å²	65.7	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-43	174.9	-75	171.8	-178.1	0	0	111.8	I67 K68 N74	I67-E71 WeakPolarHBondContact O-CG 3.4Å; I67-E71 PolarHBondContact O-N 3.34Å; K68-E71 PolarHBondContact O-N 3.31Å; E71-N74 PolarHBondContact O-N 2.95Å
72	L	84.4	Confident	82.6	Confident	107 Å²	107	69.7 Å²	69.7	56%	0.56	35%	0.351	S	S	*	.	H	α-helix	trans	-68.6	-35.7	178.9	-75.5	170.8	0	0	0	113.3	M64 K68 H69 N74	M64-L72 HydrophobicContact CE-CD1 3.55Å; M64-L72 HydrophobicContact SD-CD1 3.41Å; M64-L72 WeakPolarHBondContact SD-CD1 3.48Å; K68-L72 WeakPolarHBondContact O-CG 3.49Å; K68-L72 PolarHBondContact O-N 2.97Å; H69-L72 PolarHBondContact O-N 2.74Å; L72-N74 VanDerWaalsContact C-N 3.35Å
73	E	80.4	Confident	82.8	Confident	47 Å²	47	69.7 Å²	69.7	22%	0.22	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	8.4	-178.6	-65.5	-60.5	136.2	0	0	112.8	Q60 H69 M70 I75 K376	Q60-E73 VanDerWaalsContact CD-CD 3.48Å; Q60-E73 VanDerWaalsContact CD-OE1 3.28Å; Q60-E73 PolarHBondContact NE2-OE1 2.92Å; Q60-E73 PolarHBondContact NE2-OE2 3.23Å; Q60-E73 PolarHBondContact OE1-OE1 2.99Å; H69-E73 WeakPolarHBondContact O-CB 3.44Å; H69-E73 PolarHBondContact O-N 2.9Å; M70-E73 CarbonylContact O-C 3.58Å; M70-E73 PolarHBondContact O-N 2.67Å; E73-I75 HydrophobicContact CB-CD1 3.91Å; E73-I75 HydrophobicContact CB-CG1 3.8Å; E73-I75 PolarHBondContact O-N 2.93Å; E73-K376 IonicContact OE1-NZ 3.31Å; E73-K376 PolarHBondContact OE1-NZ 2.99Å
74	N	80.8	Confident	83	Confident	151 Å²	151	65 Å²	65	81%	0.807	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	43.6	-177.7	-70.9	-43	0	0	0	113	M70 E71 L72	M70-N74 WeakPolarHBondContact O-CA 3.47Å; M70-N74 PolarHBondContact O-N 3.41Å; E71-N74 PolarHBondContact O-N 2.95Å; L72-N74 VanDerWaalsContact C-N 3.35Å
75	I	80.6	Confident	83.1	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.087	32%	0.318	C	S	.	.			trans	-86.9	127.1	178.1	-50.9	178.8	0	0	0	108.4	I57 K58 M70 E73 S77 V81	I57-I75 HydrophobicContact CG2-CD1 3.71Å; K58-I75 HydrophobicContact CD-CD1 3.92Å; K58-I75 HydrophobicContact CD-CG1 4.09Å; K58-I75 HydrophobicContact CG-CD1 4.27Å; M70-I75 HydrophobicContact CB-CB 4.2Å; M70-I75 HydrophobicContact CE-CB 3.98Å; M70-I75 HydrophobicContact CE-CG2 3.74Å; M70-I75 HydrophobicContact CG-CB 4.23Å; M70-I75 PolarHBondContact O-N 3.25Å; E73-I75 HydrophobicContact CB-CD1 3.91Å; E73-I75 HydrophobicContact CB-CG1 3.8Å; E73-I75 PolarHBondContact O-N 2.93Å; I75-S77 PolarHBondContact O-N 3.01Å; I75-V81 HydrophobicContact CG2-CG2 4.34Å
76	S	78.6	Confident	83	Confident	48 Å²	48	61.4 Å²	61.4	34%	0.336	32%	0.315	S	S	.	.			trans	-62.8	133.5	176.1	-178.4	0	0	0	0	110.6	M70 E78	M70-S76 WeakPolarHBondContact CE-O 3.28Å; S76-E78 PolarHBondContact O-N 2.92Å; S76-E78 PolarHBondContact OG-N 3.46Å
77	S	71.9	Confident	82.9	Confident	88 Å²	88	62.5 Å²	62.5	62%	0.615	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.1	172.5	55.2	0	0	0	0	113.6	I75	I75-S77 PolarHBondContact O-N 3.01Å
78	E	73.1	Confident	82.7	Confident	177 Å²	177	63.1 Å²	63.1	83%	0.827	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19	179.6	-60.3	-176.4	166.3	0	0	112.8	S76	S76-E78 PolarHBondContact O-N 2.92Å; S76-E78 PolarHBondContact OG-N 3.46Å
79	E	79.9	Confident	82.4	Confident	121 Å²	121	58.2 Å²	58.2	57%	0.565	30%	0.299	S	S	*	.	S	Bend	trans	-90.1	154	179.2	-67.8	-178.4	171	0	0	111.7	V81	E79-V81 PolarHBondContact O-N 3.2Å
80	V	83.6	Confident	82.2	Confident	54 Å²	54	60.1 Å²	60.1	33%	0.327	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.8	117.1	171.6	-177.5	0	0	0	0	108.4	Q5 R7 P21 E82	Q5-V80 HydrophobicContact CB-CG2 4.1Å; Q5-V80 CarbonylContact O-C 3.49Å; Q5-V80 WeakPolarHBondContact O-CA 3.39Å; R7-V80 HydrophobicContact CB-CG1 3.91Å; P21-V80 HydrophobicContact CB-CG1 4.48Å; V80-E82 PolarHBondContact O-N 3.44Å
81	V	84.3	Confident	82.1	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.1	179.5	-176.5	0	0	0	0	109.2	Q5 T6 R7 I57 M70 I75 E79 I83	Q5-V81 PolarHBondContact O-N 3.49Å; T6-V81 CarbonylContact C-O 3.54Å; T6-V81 VanDerWaalsContact CA-O 3.22Å; T6-V81 WeakPolarHBondContact CA-O 3.41Å; T6-V81 HydrophobicContact CG2-CB 4.35Å; R7-V81 PolarHBondContact N-O 3.19Å; I57-V81 HydrophobicContact CD1-CG1 4.45Å; I57-V81 HydrophobicContact CG2-CG1 3.84Å; M70-V81 HydrophobicContact CE-CG2 3.52Å; M70-V81 HydrophobicContact SD-CG2 3.98Å; I75-V81 HydrophobicContact CG2-CG2 4.34Å; E79-V81 PolarHBondContact O-N 3.2Å; V81-I83 HydrophobicContact CG1-CG1 4.02Å
82	E	87.3	Confident	82.2	Confident	101 Å²	101	56.7 Å²	56.7	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123	173.3	-57.7	-169.8	148.9	0	0	109.7	R7 Y9 V80	R7-E82 HydrophobicContact CB-CG 4.48Å; R7-E82 IonicContact NH1-OE1 3.84Å; R7-E82 PolarHBondContact NH1-OE1 3.31Å; Y9-E82 HydrophobicContact CD1-CB 4.36Å; Y9-E82 HydrophobicContact CE1-CB 3.99Å; V80-E82 PolarHBondContact O-N 3.44Å
83	I	87.7	Confident	82.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111	-177.7	-51.9	-176.8	0	0	0	108	T6 R7 F8 Y9 F55 I57 L66 V81	T6-I83 HydrophobicContact CG2-CD1 3.78Å; R7-I83 PolarHBondContact O-N 3.16Å; F8-I83 WeakPolarHBondContact CA-O 3.47Å; F8-I83 HydrophobicContact CD1-CB 3.99Å; F8-I83 HydrophobicContact CD1-CG2 4.24Å; F8-I83 HydrophobicContact CE1-CB 4.19Å; F8-I83 HydrophobicContact CE1-CD1 4.15Å; F8-I83 HydrophobicContact CE1-CG2 4.22Å; Y9-I83 PolarHBondContact N-O 3.08Å; F55-I83 HydrophobicContact CB-CG2 3.82Å; F55-I83 HydrophobicContact CD1-CG2 3.6Å; F55-I83 HydrophobicContact CG-CG2 4.15Å; I57-I83 HydrophobicContact CD1-CD1 4.26Å; I57-I83 HydrophobicContact CD1-CG1 4.17Å; I57-I83 HydrophobicContact CG1-CG1 4.1Å; I57-I83 HydrophobicContact CG1-CG2 4.16Å; L66-I83 HydrophobicContact CD1-CD1 3.96Å; V81-I83 HydrophobicContact CG1-CG1 4.02Å
84	E	88.1	Confident	82.7	Confident	19 Å²	19	60.7 Å²	60.7	9%	0.089	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	139.5	167.1	-164.5	-178.3	136.6	0	0	108.5	Y9 F55 L56 R373	Y9-E84 HydrophobicContact CD2-CB 4.45Å; Y9-E84 HydrophobicContact CD2-CG 4.19Å; Y9-E84 HydrophobicContact CE1-CB 4.05Å; Y9-E84 HydrophobicContact CE2-CB 3.77Å; Y9-E84 HydrophobicContact CE2-CG 3.6Å; Y9-E84 CarbonylContact O-C 3.57Å; Y9-E84 VanDerWaalsContact O-CA 3.27Å; Y9-E84 WeakPolarHBondContact O-CA 3.38Å; Y9-E84 PolarHBondContact OH-OE2 2.78Å; F55-E84 CarbonylContact C-O 3.6Å; F55-E84 WeakPolarHBondContact CA-O 3.48Å; L56-E84 HydrophobicContact CB-CB 3.81Å; L56-E84 PolarHBondContact N-O 3.3Å; L56-E84 PolarHBondContact O-N 2.98Å; E84-R373 IonicContact OE1-NH1 3.86Å; E84-R373 PolarHBondContact OE1-NH1 2.95Å
85	Y	87.3	Confident	83.1	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.4	169.6	62.2	-82.7	0	0	0	111.4	F8 Y9 T10 Y15 V17 I37 F53 D54	F8-Y85 HydrophobicContact CB-CD1 4.03Å; F8-Y85 HydrophobicContact CB-CE1 3.78Å; F8-Y85 HydrophobicContact CD1-CD1 4.32Å; Y9-Y85 VanDerWaalsContact C-CE1 3.47Å; Y9-Y85 WeakPolarHBondContact O-CD1 3.24Å; Y9-Y85 WeakPolarHBondContact O-CE1 3.43Å; Y9-Y85 PolarHBondContact O-N 3.47Å; T10-Y85 VanDerWaalsContact CB-CZ 3.48Å; T10-Y85 WeakPolarHBondContact CB-O 3.4Å; T10-Y85 HydrophobicContact CG2-CD2 4.48Å; T10-Y85 HydrophobicContact CG2-CE1 4.05Å; T10-Y85 HydrophobicContact CG2-CE2 3.64Å; T10-Y85 VanDerWaalsContact CG2-OH 3.23Å; T10-Y85 WeakPolarHBondContact CG2-OH 3.34Å; T10-Y85 PolarHBondContact OG1-O 2.79Å; Y15-Y85 WeakPolarHBondContact O-CE2 3.26Å; Y15-Y85 PolarHBondContact O-OH 3.4Å; V17-Y85 WeakPolarHBondContact CG2-OH 3.17Å; V17-Y85 PolarHBondContact N-OH 3.01Å; I37-Y85 HydrophobicContact CD1-CD1 3.47Å; I37-Y85 VanDerWaalsContact CD1-CD1 3.47Å; I37-Y85 HydrophobicContact CD1-CD2 3.56Å; I37-Y85 HydrophobicContact CD1-CE1 3.88Å; I37-Y85 HydrophobicContact CD1-CE2 3.95Å; I37-Y85 HydrophobicContact CD1-CG 3.29Å; I37-Y85 HydrophobicContact CG2-CD2 4.27Å; I37-Y85 HydrophobicContact CG2-CE2 3.98Å; F53-Y85 AromaticContact CD1-CD2 3.88Å; F53-Y85 HydrophobicContact CD1-CD2 3.88Å; F53-Y85 HydrophobicContact CE1-CD2 4.11Å; F53-Y85 HydrophobicContact CE1-CE2 4.46Å; F53-Y85 HydrophobicContact CG-CD2 4.3Å; D54-Y85 WeakPolarHBondContact O-CA 3.28Å
86	V	83.9	Confident	83.6	Confident	20 Å²	20	60.2 Å²	60.2	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154	176.9	-70.1	0	0	0	0	110.4	F53 D54 F61 K88 Y89	F53-V86 CarbonylContact C-O 3.59Å; F53-V86 WeakPolarHBondContact CA-O 3.24Å; F53-V86 WeakPolarHBondContact CD1-O 3.37Å; D54-V86 HydrophobicContact CB-CG2 4.15Å; D54-V86 PolarHBondContact N-O 3.46Å; D54-V86 PolarHBondContact O-N 2.88Å; F61-V86 HydrophobicContact CE1-CG2 4.04Å; V86-K88 PolarHBondContact O-N 2.95Å; V86-Y89 HydrophobicContact CG2-CE2 4.18Å
87	E	83.5	Confident	84.3	Confident	24 Å²	24	60 Å²	60	11%	0.112	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	133.9	171.5	-171.2	179.3	165.7	0	0	108.6	V51 Y89 T417 T418	V51-E87 HydrophobicContact CG1-CG 3.89Å; E87-Y89 PolarHBondContact O-N 2.88Å; E87-T417 WeakPolarHBondContact OE2-CB 3.3Å; E87-T417 VanDerWaalsContact OE2-CG2 3.3Å; E87-T417 WeakPolarHBondContact OE2-CG2 3.44Å; E87-T418 PolarHBondContact OE1-N 3.35Å; E87-T418 PolarHBondContact OE1-OG1 3.25Å
88	K	81.3	Confident	85.3	Confident	80 Å²	80	56 Å²	56	35%	0.348	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59	128.4	-175.2	-177.6	-175.5	177.2	179.6	0	109.9	E52 D54 V86	E52-K88 HydrophobicContact CB-CB 3.91Å; E52-K88 HydrophobicContact CB-CD 3.74Å; E52-K88 WeakPolarHBondContact O-CB 3.3Å; E52-K88 PolarHBondContact O-N 2.79Å; E52-K88 WeakPolarHBondContact OE2-CD 3.38Å; E52-K88 WeakPolarHBondContact OE2-CE 3.42Å; E52-K88 IonicContact OE2-NZ 3.27Å; E52-K88 PolarHBondContact OE2-NZ 2.76Å; D54-K88 WeakPolarHBondContact OD2-CA 3.34Å; D54-K88 WeakPolarHBondContact OD2-CG 3.36Å; V86-K88 PolarHBondContact O-N 2.95Å
89	Y	79.7	Confident	86.3	Confident	17 Å²	17	53.9 Å²	53.9	7%	0.067	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-68.5	137.2	172.5	-65.2	-59.6	0	0	0	109.1	D54 F61 V86 E87 R373 L379 Y380 Y414 P416	D54-Y89 PolarHBondContact OD2-N 3.48Å; F61-Y89 HydrophobicContact CE1-CE2 4.37Å; F61-Y89 HydrophobicContact CZ-CD2 4.31Å; F61-Y89 AromaticContact CZ-CE2 3.93Å; F61-Y89 HydrophobicContact CZ-CE2 3.93Å; V86-Y89 HydrophobicContact CG2-CE2 4.18Å; E87-Y89 PolarHBondContact O-N 2.88Å; Y89-R373 PolarHBondContact OH-NH2 3.39Å; Y89-L379 HydrophobicContact CD2-CD1 3.85Å; Y89-L379 HydrophobicContact CD2-CD2 4.19Å; Y89-L379 HydrophobicContact CE2-CD1 4.4Å; Y89-L379 HydrophobicContact CG-CD1 4.2Å; Y89-Y380 PolarHBondContact O-OH 3.47Å; Y89-Y414 WeakPolarHBondContact CD1-OH 3.41Å; Y89-P416 HydrophobicContact CD1-CB 3.76Å; Y89-P416 HydrophobicContact CE1-CB 3.92Å
90	T	79.4	Confident	87	Confident	47 Å²	47	48.6 Å²	48.6	29%	0.288	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-87.6	146.7	176.4	61.6	0	0	0	0	110	Y380 Y414 S415 T418	T90-Y380 WeakPolarHBondContact O-CE2 3.35Å; T90-Y414 WeakPolarHBondContact O-CD2 3.39Å; T90-Y414 WeakPolarHBondContact O-CE2 3.49Å; T90-S415 PolarHBondContact OG1-O 3.04Å; T90-T418 HydrophobicContact CG2-CG2 4.18Å
91	A	82.1	Confident	87.4	Confident	55 Å²	55	52 Å²	52	46%	0.455	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-65.7	133.2	174.9	0	0	0	0	0	109.5	Q93 Y380	A91-Q93 PolarHBondContact O-N 3.36Å; A91-Y380 HydrophobicContact CB-CD1 3.98Å; A91-Y380 HydrophobicContact CB-CE1 3.77Å
92	P	88.4	Confident	88	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.065	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56.3	127.3	173.9	-22.1	30.5	0	0	0	110.8	L369 Y380 L382 L400 Y412 R413 Y414	P92-L369 HydrophobicContact CG-CD2 4.34Å; P92-Y380 HydrophobicContact CG-CD2 4.46Å; P92-L382 HydrophobicContact CB-CD1 4.3Å; P92-L382 HydrophobicContact CB-CD2 3.84Å; P92-L382 HydrophobicContact CG-CD1 4.37Å; P92-L382 HydrophobicContact CG-CD2 3.94Å; P92-L400 HydrophobicContact CB-CD1 3.92Å; P92-L400 HydrophobicContact CG-CD1 3.9Å; P92-Y412 HydrophobicContact CB-CG 4.49Å; P92-R413 WeakPolarHBondContact CA-O 3.36Å; P92-Y414 HydrophobicContact CB-CD2 4.31Å; P92-Y414 HydrophobicContact CG-CD2 3.68Å; P92-Y414 HydrophobicContact CG-CE2 4.39Å; P92-Y414 HydrophobicContact CG-CG 4.22Å
93	Q	86.9	Confident	88.5	Confident	139 Å²	139	54.5 Å²	54.5	65%	0.65	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	125.6	-178.4	-65.8	-174	0.2	0	0	109.9	A91 E95 Y412 R413	A91-Q93 PolarHBondContact O-N 3.36Å; Q93-E95 PolarHBondContact O-N 2.8Å; Q93-Y412 CarbonylContact O-C 3.49Å; Q93-Y412 WeakPolarHBondContact O-CA 3.27Å; Q93-R413 PolarHBondContact N-O 3.28Å; Q93-R413 PolarHBondContact O-N 2.69Å
94	P	88.3	Confident	88.9	Confident	99 Å²	99	54.5 Å²	54.5	64%	0.643	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.7	175.6	27.2	-32.4	0	0	0	109.9	Y412	P94-Y412 HydrophobicContact CB-CD1 3.88Å; P94-Y412 HydrophobicContact CB-CE1 3.82Å
95	E	88.5	Confident	89.4	Confident	79 Å²	79	54.2 Å²	54.2	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-58.6	178.5	-76.1	-169.4	160.7	0	0	111.4	Q93 L399 S411 R413	Q93-E95 PolarHBondContact O-N 2.8Å; E95-L399 WeakPolarHBondContact OE2-CD1 3.37Å; E95-S411 PolarHBondContact N-O 2.87Å; E95-R413 HydrophobicContact CG-CB 4.07Å; E95-R413 WeakPolarHBondContact OE1-CB 3.25Å; E95-R413 IonicContact OE1-CZ 3.59Å; E95-R413 IonicContact OE1-NE 2.9Å; E95-R413 PolarHBondContact OE1-NE 3.24Å; E95-R413 IonicContact OE1-NH2 2.92Å; E95-R413 PolarHBondContact OE1-NH2 2.84Å; E95-R413 VanDerWaalsContact OE1-NH2 3.1Å; E95-R413 IonicContact OE2-CZ 2.95Å; E95-R413 IonicContact OE2-NE 2.74Å; E95-R413 IonicContact OE2-NH2 2.72Å; E95-R413 PolarHBondContact OE2-NH2 2.86Å
96	Q	91.4	Very high	89.8	Confident	79 Å²	79	54.3 Å²	54.3	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.1	-172.4	-61.4	-65.1	-17.5	0	0	112.4	M98 Y410 S411	Q96-M98 HydrophobicContact CB-CE 4.3Å; Q96-Y410 WeakPolarHBondContact O-CA 3.47Å; Q96-S411 WeakPolarHBondContact CB-OG 3.11Å; Q96-S411 PolarHBondContact N-OG 2.82Å; Q96-S411 VanDerWaalsContact N-OG 3.09Å; Q96-S411 PolarHBondContact O-N 3.27Å
97	C	92.7	Very high	90.5	Very high	44 Å²	44	53.4 Å²	53.4	30%	0.297	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.5	168.1	-175.7	0	0	0	0	107.9	L409 Y410	C97-L409 WeakPolarHBondContact CA-O 3.44Å; C97-Y410 HydrophobicContact CB-CD1 4.05Å; C97-Y410 HydrophobicContact CB-CE1 3.92Å; C97-Y410 VanDerWaalsContact SG-CE1 3.51Å
98	M	93.7	Very high	91.1	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.02	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.5	178.7	-69.4	161.3	-92.5	0	0	109.2	Q96 I114 W126 G130 K408 L409	Q96-M98 HydrophobicContact CB-CE 4.3Å; M98-I114 HydrophobicContact CE-CD1 3.86Å; M98-I114 HydrophobicContact SD-CD1 4.47Å; M98-W126 HydrophobicContact CB-CD2 4.34Å; M98-W126 HydrophobicContact CB-CE3 4.07Å; M98-W126 HydrophobicContact CB-CH2 4.25Å; M98-W126 HydrophobicContact CB-CZ2 4.49Å; M98-W126 HydrophobicContact CB-CZ3 4.02Å; M98-W126 HydrophobicContact CG-CD2 4.24Å; M98-W126 HydrophobicContact CG-CE3 3.79Å; M98-W126 HydrophobicContact CG-CZ3 4.09Å; M98-W126 HydrophobicContact SD-CB 3.71Å; M98-W126 HydrophobicContact SD-CD2 3.76Å; M98-W126 HydrophobicContact SD-CE3 3.78Å; M98-W126 HydrophobicContact SD-CG 3.72Å; M98-G130 VanDerWaalsContact CG-CA 3.48Å; M98-K408 CarbonylContact O-C 3.59Å; M98-K408 WeakPolarHBondContact O-CA 3.44Å; M98-L409 HydrophobicContact CB-CB 4.12Å; M98-L409 HydrophobicContact CB-CD2 4.43Å; M98-L409 HydrophobicContact CE-CB 4.46Å; M98-L409 HydrophobicContact CE-CD2 3.37Å; M98-L409 HydrophobicContact CE-CG 3.65Å; M98-L409 PolarHBondContact N-O 3.35Å; M98-L409 PolarHBondContact O-N 2.74Å; M98-L409 HydrophobicContact SD-CD2 3.62Å; M98-L409 HydrophobicContact SD-CG 4.37Å
99	F	94.5	Very high	91.7	Very high	133 Å²	133	52.4 Å²	52.4	58%	0.583	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	132	-177.7	-65.8	-94.1	0	0	0	111.1	W126 K408	F99-W126 WeakPolarHBondContact O-CH2 3.45Å; F99-K408 HydrophobicContact CD1-CG 4Å; F99-K408 HydrophobicContact CE1-CD 4.15Å; F99-K408 HydrophobicContact CE1-CG 3.94Å
100	H	94.7	Very high	92.3	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.042	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-103.7	164.2	169.5	-72.7	61.1	0	0	0	110.3	D102 I104 T116 W126 N407	H100-D102 WeakPolarHBondContact CB-O 3.39Å; H100-I104 HydrophobicContact CB-CD1 4.44Å; H100-I104 HydrophobicContact CB-CG1 4.1Å; H100-T116 WeakPolarHBondContact NE2-CB 3.22Å; H100-T116 PolarHBondContact NE2-OG1 2.85Å; H100-W126 AromaticContact CE1-CE2 3.57Å; H100-W126 AromaticContact CE1-CZ2 3.48Å; H100-W126 VanDerWaalsContact CE1-CZ2 3.48Å; H100-W126 WeakPolarHBondContact CE1-CZ2 3.36Å; H100-W126 AromaticContact CE1-NE1 3.31Å; H100-W126 PolarHBondContact CE1-NE1 2.76Å; H100-W126 VanDerWaalsContact CE1-NE1 3.31Å; H100-W126 AromaticContact ND1-CZ2 3.76Å; H100-W126 AromaticContact NE2-CE2 3.98Å; H100-W126 AromaticContact NE2-CZ2 3.93Å; H100-W126 AromaticContact NE2-NE1 3.45Å; H100-W126 PolarHBondContact NE2-NE1 2.87Å; H100-N407 HydrophobicContact CB-CB 4.49Å; H100-N407 PolarHBondContact N-O 2.96Å; H100-N407 WeakPolarHBondContact O-CB 3.42Å
101	D	92.1	Very high	92.7	Very high	125 Å²	125	56.1 Å²	56.1	67%	0.668	29%	0.291	S	S	*	.	S	Bend	trans	-81.9	-21.2	176.9	-61	-33.1	0	0	0	111.9	R124 N407	D101-R124 VanDerWaalsContact CG-NH2 3.3Å; D101-R124 IonicContact OD2-CZ 2.91Å; D101-R124 IonicContact OD2-NH1 3.28Å; D101-R124 IonicContact OD2-NH2 2.83Å; D101-R124 PolarHBondContact OD2-NH2 3.05Å; D101-N407 PolarHBondContact O-ND2 2.83Å
102	D	96.3	Very high	93.1	Very high	59 Å²	59	59.4 Å²	59.4	32%	0.316	30%	0.297	S	S	.	.	S	Bend	trans	-148.3	-179.6	-179.4	-153.1	-15.3	0	0	0	110.7	H100 S118 D120 N407	H100-D102 WeakPolarHBondContact CB-O 3.39Å; D102-S118 PolarHBondContact O-OG 2.85Å; D102-D120 HydrophobicContact CB-CB 3.87Å; D102-N407 PolarHBondContact O-OD1 2.87Å
103	W	97.3	Very high	93.4	Very high	101 Å²	101	60.3 Å²	60.3	38%	0.383	30%	0.3	S	S	.	.			trans	-55.4	141.5	-174.6	-62.6	0.3	0	0	0	111.6	S118 Y119 L390 A405 N407	W103-S118 CarbonylContact O-C 3.58Å; W103-S118 VanDerWaalsContact O-CA 3.24Å; W103-S118 WeakPolarHBondContact O-CA 3.37Å; W103-S118 PolarHBondContact O-OG 2.91Å; W103-Y119 HydrophobicContact CB-CD2 3.62Å; W103-Y119 HydrophobicContact CB-CE2 4.22Å; W103-Y119 HydrophobicContact CB-CG 3.9Å; W103-Y119 HydrophobicContact CE3-CD1 4.24Å; W103-Y119 HydrophobicContact CE3-CE1 4.16Å; W103-Y119 WeakPolarHBondContact O-CD2 3.48Å; W103-Y119 PolarHBondContact O-N 2.81Å; W103-L390 HydrophobicContact CB-CD1 4.29Å; W103-A405 VanDerWaalsContact CD1-O 3.24Å; W103-A405 HydrophobicContact CD2-CB 3.93Å; W103-A405 HydrophobicContact CG-CB 4.11Å; W103-A405 HydrophobicContact CZ2-CB 4.31Å; W103-A405 PolarHBondContact NE1-O 2.81Å; W103-A405 VanDerWaalsContact NE1-O 3.17Å; W103-N407 VanDerWaalsContact CD1-OD1 3.23Å; W103-N407 PolarHBondContact N-OD1 3.3Å
104	I	97.7	Very high	93.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.7	176.1	-62.5	152.7	0	0	0	108.3	H100 I107 L390 G404 K408 L409	H100-I104 HydrophobicContact CB-CD1 4.44Å; H100-I104 HydrophobicContact CB-CG1 4.1Å; I104-I107 HydrophobicContact CG2-CD1 4.24Å; I104-I107 HydrophobicContact CG2-CG1 3.8Å; I104-L390 WeakPolarHBondContact O-CB 3.06Å; I104-L390 WeakPolarHBondContact O-CD1 3.3Å; I104-G404 PolarHBondContact N-O 2.86Å; I104-K408 VanDerWaalsContact CD1-O 3.27Å; I104-K408 WeakPolarHBondContact CD1-O 3.28Å; I104-L409 HydrophobicContact CD1-CB 3.87Å
105	S	96.9	Very high	94.3	Very high	14 Å²	14	49 Å²	49	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-38.8	-177.4	66.2	0	0	0	0	112.7	G117 V143 K144	S105-G117 PolarHBondContact N-O 2.67Å; S105-G117 PolarHBondContact OG-O 3.29Å; S105-V143 WeakPolarHBondContact CB-O 3.36Å; S105-V143 PolarHBondContact OG-O 3.22Å; S105-K144 WeakPolarHBondContact CB-O 3.35Å; S105-K144 PolarHBondContact OG-O 2.8Å
106	S	96.9	Very high	94.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.6	-168.5	54.6	0	0	0	0	111.2	T116 G117 K144 D145 V146 S391	S106-T116 CarbonylContact O-C 3.56Å; S106-T116 VanDerWaalsContact O-CA 3.3Å; S106-T116 WeakPolarHBondContact O-CA 3.43Å; S106-G117 PolarHBondContact O-N 2.81Å; S106-K144 WeakPolarHBondContact CB-O 3.46Å; S106-K144 PolarHBondContact OG-O 2.94Å; S106-D145 WeakPolarHBondContact CB-OD1 3.48Å; S106-D145 WeakPolarHBondContact OG-CA 3.36Å; S106-V146 WeakPolarHBondContact OG-CG2 3.32Å; S106-V146 PolarHBondContact OG-N 2.9Å; S106-S391 WeakPolarHBondContact CA-OG 3.45Å
107	I	97.8	Very high	95	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.2	178.8	-57.6	160.3	0	0	0	109.2	I104 I114 L115 T116 S391 D393 L401 L409	I104-I107 HydrophobicContact CG2-CD1 4.24Å; I104-I107 HydrophobicContact CG2-CG1 3.8Å; I107-I114 HydrophobicContact CG2-CG2 3.87Å; I107-L115 WeakPolarHBondContact CA-O 3.39Å; I107-T116 HydrophobicContact CG1-CG2 4.21Å; I107-S391 PolarHBondContact N-OG 2.85Å; I107-D393 HydrophobicContact CB-CB 4.47Å; I107-D393 HydrophobicContact CG2-CB 4.28Å; I107-L401 HydrophobicContact CG2-CB 3.79Å; I107-L401 HydrophobicContact CG2-CD1 3.73Å; I107-L401 HydrophobicContact CG2-CG 4.38Å; I107-L409 HydrophobicContact CD1-CD1 3.43Å; I107-L409 VanDerWaalsContact CD1-CD1 3.43Å; I107-L409 HydrophobicContact CG1-CD1 3.96Å; I107-L409 HydrophobicContact CG2-CD1 4.15Å
108	K	97.1	Very high	95.3	Very high	67 Å²	67	39.3 Å²	39.3	29%	0.291	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	110.9	167.7	-61.6	-65.9	175.1	178.9	0	110.5	L115 V146 W148 D393	K108-L115 PolarHBondContact N-O 3.02Å; K108-L115 PolarHBondContact O-N 3.28Å; K108-V146 WeakPolarHBondContact CE-O 3.33Å; K108-V146 HydrophobicContact CG-CG2 4.13Å; K108-V146 WeakPolarHBondContact CG-O 3.33Å; K108-W148 PolarHBondContact O-NE1 2.9Å; K108-D393 WeakPolarHBondContact CA-OD2 3.39Å
109	G	94.3	Very high	95.4	Very high	16 Å²	16	42 Å²	42	17%	0.165	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.9	172.3	0	0	0	0	0	112	D393	G109-D393 PolarHBondContact N-OD2 3.4Å
110	A	91.5	Very high	95.4	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	18%	0.182	C	C	.	.			trans	-114.7	-173.8	166.4	0	0	0	0	0	109.1	E112 W113 W148 K151	A110-E112 PolarHBondContact O-N 3.41Å; A110-W113 WeakPolarHBondContact CA-O 3.42Å; A110-W113 WeakPolarHBondContact CB-O 3.16Å; A110-W113 PolarHBondContact N-O 2.83Å; A110-W148 HydrophobicContact CB-CZ2 4.44Å; A110-K151 HydrophobicContact CB-CD 3.75Å; A110-K151 HydrophobicContact CB-CG 4.44Å
111	E	87.9	Confident	95.5	Very high	135 Å²	135	41.6 Å²	41.6	63%	0.631	20%	0.199	S	C	*	.	S	Bend	trans	-63.4	-40.7	-179	-70.6	176.1	-167.1	0	0	112.7	L128	E111-L128 WeakPolarHBondContact O-CD1 3.07Å
112	E	89.8	Confident	95.7	Very high	124 Å²	124	36.4 Å²	36.4	58%	0.579	17%	0.171	S	C	*	.	S	Bend	trans	-120.4	-12.3	-176.5	-60.6	-172	164.6	0	0	113.7	A110	A110-E112 PolarHBondContact O-N 3.41Å
113	W	94.6	Very high	95.8	Very high	29 Å²	29	33.6 Å²	33.6	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.4	-171.4	-52.1	-51.5	0	0	0	112.2	A110 I125 W126 W148 C156 W172 V174	A110-W113 WeakPolarHBondContact CA-O 3.42Å; A110-W113 WeakPolarHBondContact CB-O 3.16Å; A110-W113 PolarHBondContact N-O 2.83Å; W113-I125 HydrophobicContact CB-CG2 3.98Å; W113-I125 HydrophobicContact CG-CG2 4.28Å; W113-W126 CarbonylContact C-O 3.5Å; W113-W126 VanDerWaalsContact CA-O 3.23Å; W113-W126 WeakPolarHBondContact CA-O 3.06Å; W113-W148 HydrophobicContact CB-CH2 4.25Å; W113-W148 HydrophobicContact CB-CZ2 3.96Å; W113-W148 HydrophobicContact CE3-CH2 4.25Å; W113-C156 WeakPolarHBondContact CZ3-SG 3.23Å; W113-W172 AromaticContact CD2-CH2 3.97Å; W113-W172 HydrophobicContact CD2-CH2 3.97Å; W113-W172 AromaticContact CD2-CZ3 3.66Å; W113-W172 HydrophobicContact CD2-CZ3 3.66Å; W113-W172 AromaticContact CE2-CH2 3.77Å; W113-W172 AromaticContact CE2-CZ3 3.84Å; W113-W172 AromaticContact CE3-CZ3 3.85Å; W113-W172 HydrophobicContact CE3-CZ3 3.85Å; W113-W172 HydrophobicContact CG-CH2 4.21Å; W113-W172 HydrophobicContact CG-CZ3 4.14Å; W113-W172 HydrophobicContact CH2-CZ3 4.32Å; W113-W172 HydrophobicContact CZ2-CH2 4.21Å; W113-W172 HydrophobicContact CZ2-CZ3 4.17Å; W113-W172 HydrophobicContact CZ3-CZ3 4.18Å; W113-W172 AromaticContact NE1-CH2 3.9Å; W113-V174 HydrophobicContact CH2-CG1 4.46Å; W113-V174 HydrophobicContact CH2-CG2 3.97Å; W113-V174 HydrophobicContact CZ2-CG1 3.91Å; W113-V174 HydrophobicContact CZ2-CG2 4.17Å
114	I	96.7	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.1	172.8	-55.6	162.2	0	0	0	107.9	M98 I107 T116 I125 W126 L128 L399 L401 L409	M98-I114 HydrophobicContact CE-CD1 3.86Å; M98-I114 HydrophobicContact SD-CD1 4.47Å; I107-I114 HydrophobicContact CG2-CG2 3.87Å; I114-T116 HydrophobicContact CG2-CG2 4.2Å; I114-I125 CarbonylContact O-C 3.47Å; I114-I125 WeakPolarHBondContact O-CA 3.23Å; I114-W126 HydrophobicContact CB-CB 4.26Å; I114-W126 PolarHBondContact N-O 3.32Å; I114-W126 PolarHBondContact O-N 3.41Å; I114-L128 HydrophobicContact CD1-CD2 4.07Å; I114-L128 HydrophobicContact CG1-CD2 3.92Å; I114-L399 HydrophobicContact CD1-CD2 4.27Å; I114-L401 HydrophobicContact CD1-CD1 4.26Å; I114-L401 HydrophobicContact CD1-CD2 3.7Å; I114-L401 HydrophobicContact CG1-CD1 4Å; I114-L401 HydrophobicContact CG1-CD2 4.36Å; I114-L401 HydrophobicContact CG2-CD1 3.8Å; I114-L409 HydrophobicContact CG2-CD2 3.84Å
115	L	97.6	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132	173.5	-179.1	63.8	0	0	0	109.2	I107 K108 R124 I125 V146 W148 L158	I107-L115 WeakPolarHBondContact CA-O 3.39Å; K108-L115 PolarHBondContact N-O 3.02Å; K108-L115 PolarHBondContact O-N 3.28Å; L115-R124 WeakPolarHBondContact CA-O 3.26Å; L115-I125 HydrophobicContact CD1-CG1 3.94Å; L115-V146 HydrophobicContact CB-CG2 4.47Å; L115-V146 HydrophobicContact CD2-CB 3.79Å; L115-V146 HydrophobicContact CD2-CG2 4.03Å; L115-V146 HydrophobicContact CG-CB 3.93Å; L115-V146 HydrophobicContact CG-CG1 4.49Å; L115-V146 HydrophobicContact CG-CG2 3.8Å; L115-W148 HydrophobicContact CB-CH2 4.49Å; L115-W148 HydrophobicContact CB-CZ2 3.59Å; L115-W148 HydrophobicContact CD2-CD2 4.36Å; L115-L158 HydrophobicContact CD1-CD2 4.38Å; L115-L158 HydrophobicContact CD2-CB 3.99Å; L115-L158 HydrophobicContact CD2-CD1 4.39Å
116	T	98.1	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.5	179.2	51.9	0	0	0	0	110.1	H100 S106 I107 I114 S123 R124 W126 L409	H100-T116 WeakPolarHBondContact NE2-CB 3.22Å; H100-T116 PolarHBondContact NE2-OG1 2.85Å; S106-T116 CarbonylContact O-C 3.56Å; S106-T116 VanDerWaalsContact O-CA 3.3Å; S106-T116 WeakPolarHBondContact O-CA 3.43Å; I107-T116 HydrophobicContact CG1-CG2 4.21Å; I114-T116 HydrophobicContact CG2-CG2 4.2Å; T116-S123 CarbonylContact O-C 3.57Å; T116-S123 WeakPolarHBondContact O-CA 3.47Å; T116-S123 WeakPolarHBondContact O-CB 3.45Å; T116-R124 PolarHBondContact N-O 2.96Å; T116-R124 PolarHBondContact O-N 3.32Å; T116-R124 PolarHBondContact OG1-O 3.24Å; T116-R124 VanDerWaalsContact OG1-O 3.05Å; T116-W126 PolarHBondContact OG1-NE1 3.4Å; T116-L409 HydrophobicContact CG2-CD2 3.73Å
117	G	97.5	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146	164.9	0	0	0	0	0	110.4	S105 S106	S105-G117 PolarHBondContact N-O 2.67Å; S105-G117 PolarHBondContact OG-O 3.29Å; S106-G117 PolarHBondContact O-N 2.81Å
118	S	97.6	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.6	-179.4	-175.5	0	0	0	0	113.2	D102 W103 D120 K121 T122 V143	D102-S118 PolarHBondContact O-OG 2.85Å; W103-S118 CarbonylContact O-C 3.58Å; W103-S118 VanDerWaalsContact O-CA 3.24Å; W103-S118 WeakPolarHBondContact O-CA 3.37Å; W103-S118 PolarHBondContact O-OG 2.91Å; S118-D120 VanDerWaalsContact CB-OD1 3.27Å; S118-D120 WeakPolarHBondContact CB-OD1 3.32Å; S118-D120 PolarHBondContact O-N 2.6Å; S118-D120 PolarHBondContact OG-OD1 3.24Å; S118-K121 PolarHBondContact O-N 3.34Å; S118-T122 PolarHBondContact N-O 2.85Å; S118-V143 PolarHBondContact O-N 3.1Å
119	Y	96.6	Very high	94.9	Very high	61 Å²	61	35.2 Å²	35.2	24%	0.239	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.1	176.1	-79.6	-115.1	0	0	0	112.9	W103 K121 V142 K144 L390	W103-Y119 HydrophobicContact CB-CD2 3.62Å; W103-Y119 HydrophobicContact CB-CE2 4.22Å; W103-Y119 HydrophobicContact CB-CG 3.9Å; W103-Y119 HydrophobicContact CE3-CD1 4.24Å; W103-Y119 HydrophobicContact CE3-CE1 4.16Å; W103-Y119 WeakPolarHBondContact O-CD2 3.48Å; W103-Y119 PolarHBondContact O-N 2.81Å; Y119-K121 PolarHBondContact O-N 3.31Å; Y119-K121 VanDerWaalsContact O-N 3.09Å; Y119-V142 HydrophobicContact CD1-CB 4.38Å; Y119-V142 HydrophobicContact CD1-CG1 3.64Å; Y119-V142 HydrophobicContact CD1-CG2 3.79Å; Y119-V142 HydrophobicContact CD2-CG1 4.04Å; Y119-V142 HydrophobicContact CE1-CG1 3.87Å; Y119-V142 HydrophobicContact CE1-CG2 4.48Å; Y119-V142 HydrophobicContact CE2-CG1 4.26Å; Y119-V142 HydrophobicContact CG-CG1 3.72Å; Y119-V142 HydrophobicContact CG-CG2 4.22Å; Y119-K144 PolarHBondContact OH-NZ 2.92Å; Y119-L390 HydrophobicContact CE2-CD1 4.07Å
120	D	95.3	Very high	94.7	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	5.9	170.3	73.3	0.6	0	0	0	114.1	D102 S118 T122 R124	D102-D120 HydrophobicContact CB-CB 3.87Å; S118-D120 VanDerWaalsContact CB-OD1 3.27Å; S118-D120 WeakPolarHBondContact CB-OD1 3.32Å; S118-D120 PolarHBondContact O-N 2.6Å; S118-D120 PolarHBondContact OG-OD1 3.24Å; D120-T122 PolarHBondContact O-N 2.9Å; D120-T122 WeakPolarHBondContact OD1-CA 3.36Å; D120-T122 VanDerWaalsContact OD1-CB 3.25Å; D120-T122 WeakPolarHBondContact OD1-CB 3.45Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.4Å; D120-T122 PolarHBondContact OD1-N 2.92Å; D120-T122 PolarHBondContact OD1-OG1 2.83Å; D120-T122 PolarHBondContact OD2-OG1 2.9Å; D120-T122 VanDerWaalsContact OD2-OG1 3.07Å; D120-R124 IonicContact OD2-CZ 2.67Å; D120-R124 IonicContact OD2-NE 3.08Å; D120-R124 IonicContact OD2-NH2 3.67Å; D120-R124 PolarHBondContact OD2-NH2 2.86Å
121	K	96.3	Very high	94.7	Very high	93 Å²	93	42.4 Å²	42.4	40%	0.404	20%	0.2	S	C	.	.	S	Bend	trans	73.9	11.3	-179.8	-40.2	171.8	177.1	-164.5	0	113.8	S118 Y119 T140 D141	S118-K121 PolarHBondContact O-N 3.34Å; Y119-K121 PolarHBondContact O-N 3.31Å; Y119-K121 VanDerWaalsContact O-N 3.09Å; K121-T140 WeakPolarHBondContact CD-O 3.44Å; K121-T140 WeakPolarHBondContact CE-O 3.2Å; K121-T140 PolarHBondContact NZ-O 2.73Å; K121-D141 WeakPolarHBondContact CB-O 3.43Å
122	T	96.6	Very high	95	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	158.3	178.9	78.5	0	0	0	0	111.7	S118 D120 T135 I136 V137	S118-T122 PolarHBondContact N-O 2.85Å; D120-T122 PolarHBondContact O-N 2.9Å; D120-T122 WeakPolarHBondContact OD1-CA 3.36Å; D120-T122 VanDerWaalsContact OD1-CB 3.25Å; D120-T122 WeakPolarHBondContact OD1-CB 3.45Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.4Å; D120-T122 PolarHBondContact OD1-N 2.92Å; D120-T122 PolarHBondContact OD1-OG1 2.83Å; D120-T122 PolarHBondContact OD2-OG1 2.9Å; D120-T122 VanDerWaalsContact OD2-OG1 3.07Å; T122-T135 HydrophobicContact CG2-CG2 4.16Å; T122-I136 WeakPolarHBondContact CA-O 3.33Å; T122-I136 WeakPolarHBondContact CB-O 3.39Å; T122-V137 HydrophobicContact CG2-CG2 4.06Å
123	S	97.1	Very high	95.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.3	162.7	-54.4	0	0	0	0	108.8	T116 I136	T116-S123 CarbonylContact O-C 3.57Å; T116-S123 WeakPolarHBondContact O-CA 3.47Å; T116-S123 WeakPolarHBondContact O-CB 3.45Å; S123-I136 PolarHBondContact N-O 2.76Å; S123-I136 WeakPolarHBondContact O-CB 3.3Å; S123-I136 PolarHBondContact O-N 3.01Å
124	R	97	Very high	95.2	Very high	19 Å²	19	34.6 Å²	34.6	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.8	-179.6	-58.3	-179.5	-170	-160.6	-4.1	111.1	D101 L115 T116 D120 W126 M134 T135	D101-R124 VanDerWaalsContact CG-NH2 3.3Å; D101-R124 IonicContact OD2-CZ 2.91Å; D101-R124 IonicContact OD2-NH1 3.28Å; D101-R124 IonicContact OD2-NH2 2.83Å; D101-R124 PolarHBondContact OD2-NH2 3.05Å; L115-R124 WeakPolarHBondContact CA-O 3.26Å; T116-R124 PolarHBondContact N-O 2.96Å; T116-R124 PolarHBondContact O-N 3.32Å; T116-R124 PolarHBondContact OG1-O 3.24Å; T116-R124 VanDerWaalsContact OG1-O 3.05Å; D120-R124 IonicContact OD2-CZ 2.67Å; D120-R124 IonicContact OD2-NE 3.08Å; D120-R124 IonicContact OD2-NH2 3.67Å; D120-R124 PolarHBondContact OD2-NH2 2.86Å; R124-W126 HydrophobicContact CB-CZ2 4.38Å; R124-M134 WeakPolarHBondContact CA-O 3.18Å; R124-T135 HydrophobicContact CG-CG2 4.24Å
125	I	96.8	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.6	172.4	-51.3	178	0	0	0	108.1	W113 I114 L115 I133 M134 I136 W148 L158 W172	W113-I125 HydrophobicContact CB-CG2 3.98Å; W113-I125 HydrophobicContact CG-CG2 4.28Å; I114-I125 CarbonylContact O-C 3.47Å; I114-I125 WeakPolarHBondContact O-CA 3.23Å; L115-I125 HydrophobicContact CD1-CG1 3.94Å; I125-I133 HydrophobicContact CG2-CD1 4.46Å; I125-I133 WeakPolarHBondContact O-CB 3.37Å; I125-I133 PolarHBondContact O-N 2.62Å; I125-M134 HydrophobicContact CB-CB 4.17Å; I125-M134 HydrophobicContact CD1-CB 4.2Å; I125-M134 HydrophobicContact CD1-CG 4.37Å; I125-M134 HydrophobicContact CG1-CB 4.31Å; I125-M134 PolarHBondContact N-O 3.15Å; I125-M134 PolarHBondContact O-N 3.28Å; I125-I136 HydrophobicContact CD1-CD1 4.19Å; I125-I136 HydrophobicContact CG1-CD1 4.28Å; I125-W148 HydrophobicContact CD1-CH2 4.28Å; I125-W148 HydrophobicContact CG2-CH2 4.22Å; I125-L158 HydrophobicContact CD1-CD2 3.82Å; I125-W172 HydrophobicContact CD1-CB 4.48Å; I125-W172 HydrophobicContact CD1-CD2 3.49Å; I125-W172 VanDerWaalsContact CD1-CD2 3.49Å; I125-W172 HydrophobicContact CD1-CE3 3.52Å; I125-W172 HydrophobicContact CD1-CG 3.92Å; I125-W172 HydrophobicContact CD1-CH2 4.37Å; I125-W172 HydrophobicContact CD1-CZ2 4.34Å; I125-W172 HydrophobicContact CD1-CZ3 3.98Å; I125-W172 HydrophobicContact CG2-CH2 3.92Å; I125-W172 HydrophobicContact CG2-CZ2 4.46Å; I125-W172 HydrophobicContact CG2-CZ3 3.97Å
126	W	96	Very high	95.1	Very high	15 Å²	15	37.6 Å²	37.6	6%	0.057	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.1	179.5	-56.9	86	0	0	0	110.5	M98 F99 H100 W113 I114 T116 R124 K131 S132	M98-W126 HydrophobicContact CB-CD2 4.34Å; M98-W126 HydrophobicContact CB-CE3 4.07Å; M98-W126 HydrophobicContact CB-CH2 4.25Å; M98-W126 HydrophobicContact CB-CZ2 4.49Å; M98-W126 HydrophobicContact CB-CZ3 4.02Å; M98-W126 HydrophobicContact CG-CD2 4.24Å; M98-W126 HydrophobicContact CG-CE3 3.79Å; M98-W126 HydrophobicContact CG-CZ3 4.09Å; M98-W126 HydrophobicContact SD-CB 3.71Å; M98-W126 HydrophobicContact SD-CD2 3.76Å; M98-W126 HydrophobicContact SD-CE3 3.78Å; M98-W126 HydrophobicContact SD-CG 3.72Å; F99-W126 WeakPolarHBondContact O-CH2 3.45Å; H100-W126 AromaticContact CE1-CE2 3.57Å; H100-W126 AromaticContact CE1-CZ2 3.48Å; H100-W126 VanDerWaalsContact CE1-CZ2 3.48Å; H100-W126 WeakPolarHBondContact CE1-CZ2 3.36Å; H100-W126 AromaticContact CE1-NE1 3.31Å; H100-W126 PolarHBondContact CE1-NE1 2.76Å; H100-W126 VanDerWaalsContact CE1-NE1 3.31Å; H100-W126 AromaticContact ND1-CZ2 3.76Å; H100-W126 AromaticContact NE2-CE2 3.98Å; H100-W126 AromaticContact NE2-CZ2 3.93Å; H100-W126 AromaticContact NE2-NE1 3.45Å; H100-W126 PolarHBondContact NE2-NE1 2.87Å; W113-W126 CarbonylContact C-O 3.5Å; W113-W126 VanDerWaalsContact CA-O 3.23Å; W113-W126 WeakPolarHBondContact CA-O 3.06Å; I114-W126 HydrophobicContact CB-CB 4.26Å; I114-W126 PolarHBondContact N-O 3.32Å; I114-W126 PolarHBondContact O-N 3.41Å; T116-W126 PolarHBondContact OG1-NE1 3.4Å; R124-W126 HydrophobicContact CB-CZ2 4.38Å; W126-K131 CarbonylContact C-O 3.5Å; W126-K131 WeakPolarHBondContact CA-O 3.23Å; W126-S132 VanDerWaalsContact CE3-N 3.32Å
127	S	94.1	Very high	94.9	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	162	161.2	81.5	0	0	0	0	110.3	E129 G130 K131	S127-E129 WeakPolarHBondContact CB-OE2 3.31Å; S127-E129 PolarHBondContact O-N 3.43Å; S127-E129 PolarHBondContact OG-N 3.01Å; S127-E129 PolarHBondContact OG-OE2 2.7Å; S127-G130 PolarHBondContact O-N 3.41Å; S127-K131 PolarHBondContact N-O 2.88Å; S127-K131 WeakPolarHBondContact OG-CB 3.35Å; S127-K131 PolarHBondContact OG-N 2.77Å
128	L	91	Very high	94.6	Very high	32 Å²	32	43.4 Å²	43.4	17%	0.168	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	176.1	-60	-170.5	0	0	0	113	E111 I114 G130 L399	E111-L128 WeakPolarHBondContact O-CD1 3.07Å; I114-L128 HydrophobicContact CD1-CD2 4.07Å; I114-L128 HydrophobicContact CG1-CD2 3.92Å; L128-G130 PolarHBondContact O-N 3.35Å; L128-L399 HydrophobicContact CD2-CD2 3.9Å
129	E	90.6	Very high	94.5	Very high	138 Å²	138	44 Å²	44	65%	0.645	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	2	175.8	-48.7	79.2	-169.6	0	0	113.3	S127	S127-E129 WeakPolarHBondContact CB-OE2 3.31Å; S127-E129 PolarHBondContact O-N 3.43Å; S127-E129 PolarHBondContact OG-N 3.01Å; S127-E129 PolarHBondContact OG-OE2 2.7Å
130	G	90.2	Very high	94.3	Very high	20 Å²	20	45 Å²	45	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	86.7	15.1	176.8	0	0	0	0	0	115.1	M98 S127 L128	M98-G130 VanDerWaalsContact CG-CA 3.48Å; S127-G130 PolarHBondContact O-N 3.41Å; L128-G130 PolarHBondContact O-N 3.35Å
131	K	92.6	Very high	94.4	Very high	154 Å²	154	45.9 Å²	45.9	67%	0.67	25%	0.249	S	C	*	.			trans	-84.8	126.8	175.5	-171.2	179.4	178.5	-176.9	0	110.5	W126 S127 I133	W126-K131 CarbonylContact C-O 3.5Å; W126-K131 WeakPolarHBondContact CA-O 3.23Å; S127-K131 PolarHBondContact N-O 2.88Å; S127-K131 WeakPolarHBondContact OG-CB 3.35Å; S127-K131 PolarHBondContact OG-N 2.77Å; K131-I133 PolarHBondContact O-N 3.13Å
132	S	93.4	Very high	94.4	Very high	50 Å²	50	42.3 Å²	42.3	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114.3	169.9	-179.6	0	0	0	0	109.6	W126	W126-S132 VanDerWaalsContact CE3-N 3.32Å
133	I	93.8	Very high	94.5	Very high	48 Å²	48	41.6 Å²	41.6	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-47	179.9	-57	169.8	0	0	0	109.9	I125 K131 W172 N177	I125-I133 HydrophobicContact CG2-CD1 4.46Å; I125-I133 WeakPolarHBondContact O-CB 3.37Å; I125-I133 PolarHBondContact O-N 2.62Å; K131-I133 PolarHBondContact O-N 3.13Å; I133-W172 HydrophobicContact CG2-CH2 4.42Å; I133-W172 HydrophobicContact CG2-CZ2 3.77Å; I133-N177 PolarHBondContact O-ND2 3.37Å
134	M	94.2	Very high	94.5	Very high	26 Å²	26	44.2 Å²	44.2	13%	0.128	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142	-171.8	175.1	55.3	62.2	0	0	111.4	R124 I125 I136 N177 V179	R124-M134 WeakPolarHBondContact CA-O 3.18Å; I125-M134 HydrophobicContact CB-CB 4.17Å; I125-M134 HydrophobicContact CD1-CB 4.2Å; I125-M134 HydrophobicContact CD1-CG 4.37Å; I125-M134 HydrophobicContact CG1-CB 4.31Å; I125-M134 PolarHBondContact N-O 3.15Å; I125-M134 PolarHBondContact O-N 3.28Å; M134-I136 HydrophobicContact CG-CG1 3.98Å; M134-N177 VanDerWaalsContact CE-C 3.46Å; M134-N177 HydrophobicContact CE-CB 4.35Å; M134-N177 VanDerWaalsContact CE-CG 3.47Å; M134-N177 WeakPolarHBondContact CE-O 3.38Å; M134-N177 WeakPolarHBondContact CE-OD1 3.23Å; M134-V179 HydrophobicContact CE-CG1 4.45Å; M134-V179 HydrophobicContact CG-CG1 3.73Å; M134-V179 HydrophobicContact SD-CG1 4.07Å; M134-V179 HydrophobicContact SD-CG2 4.03Å
135	T	96.2	Very high	94.6	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.6	170.2	-52.6	0	0	0	0	108.5	T122 R124 V137	T122-T135 HydrophobicContact CG2-CG2 4.16Å; R124-T135 HydrophobicContact CG-CG2 4.24Å; T135-V137 HydrophobicContact CG2-CG2 4.26Å
136	I	95.5	Very high	94.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.3	-177	-48.3	-177.6	0	0	0	107.4	T122 S123 I125 M134 L158 W170 V179	T122-I136 WeakPolarHBondContact CA-O 3.33Å; T122-I136 WeakPolarHBondContact CB-O 3.39Å; S123-I136 PolarHBondContact N-O 2.76Å; S123-I136 WeakPolarHBondContact O-CB 3.3Å; S123-I136 PolarHBondContact O-N 3.01Å; I125-I136 HydrophobicContact CD1-CD1 4.19Å; I125-I136 HydrophobicContact CG1-CD1 4.28Å; M134-I136 HydrophobicContact CG-CG1 3.98Å; I136-L158 HydrophobicContact CD1-CD1 3.65Å; I136-L158 HydrophobicContact CD1-CD2 3.76Å; I136-L158 HydrophobicContact CD1-CG 4.35Å; I136-W170 HydrophobicContact CG2-CD2 3.63Å; I136-W170 HydrophobicContact CG2-CE3 3.76Å; I136-W170 HydrophobicContact CG2-CG 4.26Å; I136-W170 HydrophobicContact CG2-CH2 3.82Å; I136-W170 HydrophobicContact CG2-CZ2 3.67Å; I136-W170 HydrophobicContact CG2-CZ3 3.86Å; I136-V179 HydrophobicContact CD1-CG1 4.26Å; I136-V179 HydrophobicContact CG1-CG1 4.1Å; I136-V179 HydrophobicContact CG1-CG2 4.45Å; I136-V179 HydrophobicContact CG2-CG2 4.28Å
137	V	95.1	Very high	94.7	Very high	103 Å²	103	43.7 Å²	43.7	62%	0.624	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112	130.3	178.4	-175.6	0	0	0	0	108.3	T122 T135	T122-V137 HydrophobicContact CG2-CG2 4.06Å; T135-V137 HydrophobicContact CG2-CG2 4.26Å
138	G	90.9	Very high	94.8	Very high	19 Å²	19	44.3 Å²	44.3	20%	0.196	24%	0.242	C	C	.	.			trans	175.7	-23.8	173.4	0	0	0	0	0	115.7
139	H	94.6	Very high	95	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	24%	0.24	C	C	.	.			trans	-70.2	148.5	172	-77.3	-66.7	0	0	0	111.7	V143 S160 S162 D164	H139-V143 HydrophobicContact CB-CG2 4.28Å; H139-S160 PolarHBondContact CD2-OG 3.41Å; H139-S160 VanDerWaalsContact CD2-OG 3.31Å; H139-S160 WeakPolarHBondContact NE2-CB 3.49Å; H139-S160 PolarHBondContact NE2-O 3.48Å; H139-S160 PolarHBondContact NE2-OG 2.9Å; H139-S162 VanDerWaalsContact CE1-CB 3.46Å; H139-S162 WeakPolarHBondContact CE1-CB 3.41Å; H139-S162 WeakPolarHBondContact ND1-CB 3.27Å; H139-D164 WeakPolarHBondContact CA-OD2 3.39Å; H139-D164 IonicContact CE1-OD1 3.64Å; H139-D164 IonicContact CG-OD2 3.59Å; H139-D164 IonicContact ND1-OD1 3.43Å; H139-D164 PolarHBondContact ND1-OD1 3.19Å; H139-D164 IonicContact ND1-OD2 2.9Å; H139-D164 PolarHBondContact ND1-OD2 3.37Å
140	T	93.8	Very high	95.1	Very high	82 Å²	82	41.7 Å²	41.7	50%	0.503	23%	0.229	S	C	.	.	S	Bend	trans	-92.8	-13.1	178.9	59.1	0	0	0	0	112.8	K121 D164 T240	K121-T140 WeakPolarHBondContact CD-O 3.44Å; K121-T140 WeakPolarHBondContact CE-O 3.2Å; K121-T140 PolarHBondContact NZ-O 2.73Å; T140-D164 PolarHBondContact N-OD2 2.91Å; T140-D164 WeakPolarHBondContact OG1-CB 3.11Å; T140-D164 PolarHBondContact OG1-OD2 3.41Å; T140-T240 HydrophobicContact CG2-CG2 4.41Å
141	D	96.2	Very high	95.1	Very high	57 Å²	57	46 Å²	46	31%	0.305	24%	0.242	S	C	.	.	S	Bend	trans	-142	177.4	179.4	-147.2	-19	0	0	0	111.3	K121 V143 S162 M163 D164	K121-D141 WeakPolarHBondContact CB-O 3.43Å; D141-V143 PolarHBondContact O-N 3.42Å; D141-S162 PolarHBondContact O-OG 2.77Å; D141-M163 HydrophobicContact CB-CB 4.03Å; D141-D164 HydrophobicContact CB-CB 4Å
142	V	97.3	Very high	94.9	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.109	23%	0.225	C	C	.	.			trans	-46.1	130.5	-175.5	168.4	0	0	0	0	111.9	Y119 K144 S162 M163	Y119-V142 HydrophobicContact CD1-CB 4.38Å; Y119-V142 HydrophobicContact CD1-CG1 3.64Å; Y119-V142 HydrophobicContact CD1-CG2 3.79Å; Y119-V142 HydrophobicContact CD2-CG1 4.04Å; Y119-V142 HydrophobicContact CE1-CG1 3.87Å; Y119-V142 HydrophobicContact CE1-CG2 4.48Å; Y119-V142 HydrophobicContact CE2-CG1 4.26Å; Y119-V142 HydrophobicContact CG-CG1 3.72Å; Y119-V142 HydrophobicContact CG-CG2 4.22Å; V142-K144 HydrophobicContact CG1-CD 3.93Å; V142-K144 HydrophobicContact CG1-CG 4.44Å; V142-S162 CarbonylContact O-C 3.59Å; V142-S162 VanDerWaalsContact O-CA 3.22Å; V142-S162 WeakPolarHBondContact O-CA 3.45Å; V142-S162 WeakPolarHBondContact O-CB 3.44Å; V142-S162 PolarHBondContact O-OG 3.07Å; V142-M163 HydrophobicContact CB-CB 4.28Å; V142-M163 PolarHBondContact O-N 3.45Å
143	V	97.9	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.5	166.7	179.1	0	0	0	0	107.4	S105 S118 H139 D141 V146	S105-V143 WeakPolarHBondContact CB-O 3.36Å; S105-V143 PolarHBondContact OG-O 3.22Å; S118-V143 PolarHBondContact O-N 3.1Å; H139-V143 HydrophobicContact CB-CG2 4.28Å; D141-V143 PolarHBondContact O-N 3.42Å; V143-V146 HydrophobicContact CG1-CG1 3.76Å
144	K	97.6	Very high	94.2	Very high	56 Å²	56	45.6 Å²	45.6	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-45.3	-177	-70.2	-66	-61.2	-175.4	0	111.7	S105 S106 Y119 V142 A161 V192 D193	S105-K144 WeakPolarHBondContact CB-O 3.35Å; S105-K144 PolarHBondContact OG-O 2.8Å; S106-K144 WeakPolarHBondContact CB-O 3.46Å; S106-K144 PolarHBondContact OG-O 2.94Å; Y119-K144 PolarHBondContact OH-NZ 2.92Å; V142-K144 HydrophobicContact CG1-CD 3.93Å; V142-K144 HydrophobicContact CG1-CG 4.44Å; K144-A161 PolarHBondContact N-O 2.91Å; K144-V192 VanDerWaalsContact CB-O 3.31Å; K144-V192 WeakPolarHBondContact CB-O 3.18Å; K144-D193 VanDerWaalsContact CE-OD1 3.26Å; K144-D193 WeakPolarHBondContact CE-OD1 3.24Å
145	D	98.1	Very high	94	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.1	-178.4	-158.7	7.9	0	0	0	111.7	S106 A161 S194 V195	S106-D145 WeakPolarHBondContact CB-OD1 3.48Å; S106-D145 WeakPolarHBondContact OG-CA 3.36Å; D145-A161 PolarHBondContact N-O 3.1Å; D145-A161 PolarHBondContact O-N 3Å; D145-S194 VanDerWaalsContact OD2-CA 3.29Å; D145-S194 WeakPolarHBondContact OD2-CA 3.31Å; D145-S194 PolarHBondContact OD2-OG 3.01Å; D145-V195 HydrophobicContact CB-CG2 4.02Å; D145-V195 PolarHBondContact OD2-N 2.84Å
146	V	97.8	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.4	-178.9	-61.7	0	0	0	0	110	S106 K108 L115 V143 L159	S106-V146 WeakPolarHBondContact OG-CG2 3.32Å; S106-V146 PolarHBondContact OG-N 2.9Å; K108-V146 WeakPolarHBondContact CE-O 3.33Å; K108-V146 HydrophobicContact CG-CG2 4.13Å; K108-V146 WeakPolarHBondContact CG-O 3.33Å; L115-V146 HydrophobicContact CB-CG2 4.47Å; L115-V146 HydrophobicContact CD2-CB 3.79Å; L115-V146 HydrophobicContact CD2-CG2 4.03Å; L115-V146 HydrophobicContact CG-CB 3.93Å; L115-V146 HydrophobicContact CG-CG1 4.49Å; L115-V146 HydrophobicContact CG-CG2 3.8Å; V143-V146 HydrophobicContact CG1-CG1 3.76Å; V146-L159 VanDerWaalsContact CA-O 3.31Å; V146-L159 WeakPolarHBondContact CA-O 3.46Å
147	A	97.6	Very high	94	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.5	177.8	0	0	0	0	0	112.8	L158 L159 V195 V197	A147-L158 CarbonylContact O-C 3.48Å; A147-L158 VanDerWaalsContact O-CA 3.32Å; A147-L158 WeakPolarHBondContact O-CA 3.41Å; A147-L159 HydrophobicContact CB-CB 4.44Å; A147-L159 PolarHBondContact N-O 3.01Å; A147-L159 PolarHBondContact O-N 2.94Å; A147-V195 HydrophobicContact CB-CG2 4.11Å; A147-V197 HydrophobicContact CB-CG2 3.78Å
148	W	96.7	Very high	94	Very high	27 Å²	27	38.5 Å²	38.5	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132	167.9	-67.6	105.6	0	0	0	109.8	K108 A110 W113 L115 I125 K151 C156 L158 W172	K108-W148 PolarHBondContact O-NE1 2.9Å; A110-W148 HydrophobicContact CB-CZ2 4.44Å; W113-W148 HydrophobicContact CB-CH2 4.25Å; W113-W148 HydrophobicContact CB-CZ2 3.96Å; W113-W148 HydrophobicContact CE3-CH2 4.25Å; L115-W148 HydrophobicContact CB-CH2 4.49Å; L115-W148 HydrophobicContact CB-CZ2 3.59Å; L115-W148 HydrophobicContact CD2-CD2 4.36Å; I125-W148 HydrophobicContact CD1-CH2 4.28Å; I125-W148 HydrophobicContact CG2-CH2 4.22Å; W148-K151 HydrophobicContact CB-CD 4.24Å; W148-K151 HydrophobicContact CB-CG 4.1Å; W148-K151 HydrophobicContact CD2-CG 4.34Å; W148-K151 HydrophobicContact CE3-CG 4.31Å; W148-K151 HydrophobicContact CG-CD 4.37Å; W148-K151 HydrophobicContact CG-CG 4.28Å; W148-C156 HydrophobicContact CE3-CB 4.49Å; W148-C156 HydrophobicContact CZ3-CB 3.93Å; W148-L158 HydrophobicContact CE3-CB 4.08Å; W148-L158 HydrophobicContact CH2-CD2 4.47Å; W148-L158 HydrophobicContact CZ3-CB 4.32Å; W148-L158 HydrophobicContact CZ3-CD2 4.03Å; W148-W172 HydrophobicContact CH2-CE3 4.28Å; W148-W172 HydrophobicContact CH2-CZ3 4.21Å; W148-W172 HydrophobicContact CZ3-CE3 4.35Å
149	V	95.6	Very high	94.4	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-55.6	174.1	173.5	0	0	0	0	110.1	L157 L159 L169 V197 G201 T218	V149-L157 WeakPolarHBondContact CA-O 3.32Å; V149-L157 HydrophobicContact CB-CB 3.77Å; V149-L157 WeakPolarHBondContact CB-O 3.26Å; V149-L157 HydrophobicContact CG1-CB 4.01Å; V149-L157 HydrophobicContact CG1-CD1 4.36Å; V149-L157 PolarHBondContact N-O 2.79Å; V149-L159 HydrophobicContact CG2-CD1 3.48Å; V149-L159 VanDerWaalsContact CG2-CD1 3.48Å; V149-L159 HydrophobicContact CG2-CG 3.63Å; V149-L169 HydrophobicContact CG2-CD1 4.34Å; V149-V197 HydrophobicContact CG2-CG1 4.44Å; V149-V197 HydrophobicContact CG2-CG2 3.87Å; V149-G201 WeakPolarHBondContact CG1-O 3.41Å; V149-T218 HydrophobicContact CG1-CG2 3.89Å; V149-T218 HydrophobicContact CG2-CG2 3.89Å
150	K	92.4	Very high	94.5	Very high	97 Å²	97	36.9 Å²	36.9	42%	0.422	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.8	179	-175	-173.2	172.6	-151	0	108.6	D152 C156 L157	K150-D152 WeakPolarHBondContact CE-OD2 3.48Å; K150-D152 HydrophobicContact CG-CB 4.5Å; K150-D152 IonicContact NZ-OD2 3.4Å; K150-D152 PolarHBondContact NZ-OD2 2.99Å; K150-C156 CarbonylContact O-C 3.5Å; K150-C156 VanDerWaalsContact O-CA 3.23Å; K150-C156 WeakPolarHBondContact O-CA 3.39Å; K150-C156 WeakPolarHBondContact O-CB 3.47Å; K150-L157 HydrophobicContact CB-CB 3.93Å; K150-L157 HydrophobicContact CB-CD1 4.24Å; K150-L157 HydrophobicContact CB-CG 4.21Å; K150-L157 PolarHBondContact N-O 3.18Å; K150-L157 VanDerWaalsContact N-O 3.08Å; K150-L157 PolarHBondContact O-N 2.89Å
151	K	90.6	Very high	94.7	Very high	111 Å²	111	33 Å²	33	48%	0.483	17%	0.172	S	C	.	.			trans	-114.8	111.8	176.8	-60.5	167.8	-72.4	174.5	0	107	A110 W148	A110-K151 HydrophobicContact CB-CD 3.75Å; A110-K151 HydrophobicContact CB-CG 4.44Å; W148-K151 HydrophobicContact CB-CD 4.24Å; W148-K151 HydrophobicContact CB-CG 4.1Å; W148-K151 HydrophobicContact CD2-CG 4.34Å; W148-K151 HydrophobicContact CE3-CG 4.31Å; W148-K151 HydrophobicContact CG-CD 4.37Å; W148-K151 HydrophobicContact CG-CG 4.28Å
152	D	87.5	Confident	94.7	Very high	56 Å²	56	30.3 Å²	30.3	30%	0.299	16%	0.158	S	C	.	.			trans	-147.5	148.2	-177.2	-178.8	12.5	0	0	0	108.2	K150 L154 S155 C156	K150-D152 WeakPolarHBondContact CE-OD2 3.48Å; K150-D152 HydrophobicContact CG-CB 4.5Å; K150-D152 IonicContact NZ-OD2 3.4Å; K150-D152 PolarHBondContact NZ-OD2 2.99Å; D152-L154 PolarHBondContact O-N 2.85Å; D152-L154 VanDerWaalsContact O-N 3.15Å; D152-S155 WeakPolarHBondContact CB-O 3.49Å; D152-C156 PolarHBondContact O-SG 2.97Å
153	S	83.4	Confident	94.7	Very high	93 Å²	93	34 Å²	34	65%	0.65	18%	0.175	S	C	*	.	S	Bend	trans	-65.3	-21	-172.3	-52.6	0	0	0	0	112.8	V174	S153-V174 WeakPolarHBondContact O-CB 3.34Å
154	L	88.3	Confident	94.5	Very high	94 Å²	94	35.5 Å²	35.5	49%	0.492	18%	0.183	S	C	.	.	S	Bend	trans	-99.8	-50.5	-177.8	-70.9	149.6	0	0	0	113	D152 V174 E175	D152-L154 PolarHBondContact O-N 2.85Å; D152-L154 VanDerWaalsContact O-N 3.15Å; L154-V174 PolarHBondContact O-N 3.06Å; L154-E175 HydrophobicContact CD2-CG 4.39Å; L154-E175 WeakPolarHBondContact CD2-OE1 3.39Å
155	S	91.4	Very high	94.4	Very high	22 Å²	22	37 Å²	37	15%	0.154	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	119.7	-175.4	-176.4	0	0	0	0	111.3	D152 E171 W172	D152-S155 WeakPolarHBondContact CB-O 3.49Å; S155-E171 WeakPolarHBondContact OG-CG 3.3Å; S155-E171 PolarHBondContact OG-OE1 3.18Å; S155-W172 CarbonylContact C-O 3.57Å; S155-W172 WeakPolarHBondContact CA-O 3.41Å
156	C	94.4	Very high	94.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.9	176.4	-68.4	0	0	0	0	111.3	W113 W148 K150 D152 E171 W172	W113-C156 WeakPolarHBondContact CZ3-SG 3.23Å; W148-C156 HydrophobicContact CE3-CB 4.49Å; W148-C156 HydrophobicContact CZ3-CB 3.93Å; K150-C156 CarbonylContact O-C 3.5Å; K150-C156 VanDerWaalsContact O-CA 3.23Å; K150-C156 WeakPolarHBondContact O-CA 3.39Å; K150-C156 WeakPolarHBondContact O-CB 3.47Å; D152-C156 PolarHBondContact O-SG 2.97Å; C156-E171 CarbonylContact O-C 3.49Å; C156-E171 WeakPolarHBondContact O-CA 3.21Å; C156-W172 HydrophobicContact CB-CB 4.4Å; C156-W172 HydrophobicContact CB-CE3 3.93Å; C156-W172 PolarHBondContact N-O 2.91Å; C156-W172 PolarHBondContact O-N 2.75Å
157	L	96	Very high	94.2	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.105	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	168	-66.3	175	0	0	0	109.1	V149 K150 L169 W170 E171 L182 P220	V149-L157 WeakPolarHBondContact CA-O 3.32Å; V149-L157 HydrophobicContact CB-CB 3.77Å; V149-L157 WeakPolarHBondContact CB-O 3.26Å; V149-L157 HydrophobicContact CG1-CB 4.01Å; V149-L157 HydrophobicContact CG1-CD1 4.36Å; V149-L157 PolarHBondContact N-O 2.79Å; K150-L157 HydrophobicContact CB-CB 3.93Å; K150-L157 HydrophobicContact CB-CD1 4.24Å; K150-L157 HydrophobicContact CB-CG 4.21Å; K150-L157 PolarHBondContact N-O 3.18Å; K150-L157 VanDerWaalsContact N-O 3.08Å; K150-L157 PolarHBondContact O-N 2.89Å; L157-L169 HydrophobicContact CB-CD1 4.4Å; L157-W170 WeakPolarHBondContact CA-O 2.92Å; L157-E171 HydrophobicContact CD2-CB 4.08Å; L157-E171 HydrophobicContact CD2-CG 4.31Å; L157-L182 HydrophobicContact CD2-CD1 3.74Å; L157-P220 HydrophobicContact CD1-CG 3.97Å; L157-P220 HydrophobicContact CD2-CG 4.22Å
158	L	96.7	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.4	178.7	64.1	90.1	0	0	0	111	L115 I125 I136 A147 W148 W170 W172	L115-L158 HydrophobicContact CD1-CD2 4.38Å; L115-L158 HydrophobicContact CD2-CB 3.99Å; L115-L158 HydrophobicContact CD2-CD1 4.39Å; I125-L158 HydrophobicContact CD1-CD2 3.82Å; I136-L158 HydrophobicContact CD1-CD1 3.65Å; I136-L158 HydrophobicContact CD1-CD2 3.76Å; I136-L158 HydrophobicContact CD1-CG 4.35Å; A147-L158 CarbonylContact O-C 3.48Å; A147-L158 VanDerWaalsContact O-CA 3.32Å; A147-L158 WeakPolarHBondContact O-CA 3.41Å; W148-L158 HydrophobicContact CE3-CB 4.08Å; W148-L158 HydrophobicContact CH2-CD2 4.47Å; W148-L158 HydrophobicContact CZ3-CB 4.32Å; W148-L158 HydrophobicContact CZ3-CD2 4.03Å; L158-W170 HydrophobicContact CD1-CB 3.62Å; L158-W170 VanDerWaalsContact CD1-CD1 3.48Å; L158-W170 HydrophobicContact CD1-CG 3.76Å; L158-W170 HydrophobicContact CG-CB 3.86Å; L158-W170 PolarHBondContact N-O 2.78Å; L158-W170 PolarHBondContact O-N 2.98Å; L158-W172 HydrophobicContact CD2-CB 4.33Å
159	L	97.8	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.6	179.2	-69.6	162.1	0	0	0	110	V146 A147 V149 I167 L168 L169 V197 F204 T218	V146-L159 VanDerWaalsContact CA-O 3.31Å; V146-L159 WeakPolarHBondContact CA-O 3.46Å; A147-L159 HydrophobicContact CB-CB 4.44Å; A147-L159 PolarHBondContact N-O 3.01Å; A147-L159 PolarHBondContact O-N 2.94Å; V149-L159 HydrophobicContact CG2-CD1 3.48Å; V149-L159 VanDerWaalsContact CG2-CD1 3.48Å; V149-L159 HydrophobicContact CG2-CG 3.63Å; L159-I167 HydrophobicContact CB-CG2 4.33Å; L159-I167 HydrophobicContact CD2-CG2 3.91Å; L159-L168 WeakPolarHBondContact CA-O 3.33Å; L159-L169 HydrophobicContact CD2-CB 3.91Å; L159-L169 HydrophobicContact CD2-CD1 3.84Å; L159-L169 HydrophobicContact CD2-CG 4.47Å; L159-L169 HydrophobicContact CG-CD1 4.26Å; L159-V197 HydrophobicContact CD1-CG2 3.7Å; L159-F204 HydrophobicContact CD1-CB 3.88Å; L159-F204 HydrophobicContact CD1-CD1 3.75Å; L159-F204 HydrophobicContact CD1-CD2 3.95Å; L159-F204 HydrophobicContact CD1-CE1 4.16Å; L159-F204 HydrophobicContact CD1-CE2 4.4Å; L159-F204 HydrophobicContact CD1-CG 3.6Å; L159-F204 HydrophobicContact CD1-CZ 4.48Å; L159-F204 HydrophobicContact CD2-CD1 4.29Å; L159-F204 HydrophobicContact CD2-CE1 3.87Å; L159-F204 HydrophobicContact CD2-CZ 4.04Å; L159-T218 HydrophobicContact CD1-CG2 4.29Å
160	S	97.6	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.7	165.9	56.6	0	0	0	0	109.9	H139 I167 L168 W170	H139-S160 PolarHBondContact CD2-OG 3.41Å; H139-S160 VanDerWaalsContact CD2-OG 3.31Å; H139-S160 WeakPolarHBondContact NE2-CB 3.49Å; H139-S160 PolarHBondContact NE2-O 3.48Å; H139-S160 PolarHBondContact NE2-OG 2.9Å; S160-I167 CarbonylContact O-C 3.57Å; S160-I167 WeakPolarHBondContact O-CA 3.26Å; S160-I167 WeakPolarHBondContact O-CG2 3.45Å; S160-L168 PolarHBondContact N-O 3.02Å; S160-L168 PolarHBondContact O-N 2.82Å; S160-W170 PolarHBondContact OG-NE1 3.45Å
161	A	97.4	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.5	175.2	0	0	0	0	0	109.9	K144 D145 I167 V192 V195	K144-A161 PolarHBondContact N-O 2.91Å; D145-A161 PolarHBondContact N-O 3.1Å; D145-A161 PolarHBondContact O-N 3Å; A161-I167 HydrophobicContact CB-CG1 4.05Å; A161-I167 HydrophobicContact CB-CG2 4.43Å; A161-V192 HydrophobicContact CB-CB 3.95Å; A161-V192 HydrophobicContact CB-CG1 3.65Å; A161-V195 HydrophobicContact CB-CG1 3.53Å; A161-V195 HydrophobicContact CB-CG2 4.34Å
162	S	97.5	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.6	-171.2	173.3	0	0	0	0	113	H139 D141 V142 D164 Q165 T166 V192	H139-S162 VanDerWaalsContact CE1-CB 3.46Å; H139-S162 WeakPolarHBondContact CE1-CB 3.41Å; H139-S162 WeakPolarHBondContact ND1-CB 3.27Å; D141-S162 PolarHBondContact O-OG 2.77Å; V142-S162 CarbonylContact O-C 3.59Å; V142-S162 VanDerWaalsContact O-CA 3.22Å; V142-S162 WeakPolarHBondContact O-CA 3.45Å; V142-S162 WeakPolarHBondContact O-CB 3.44Å; V142-S162 PolarHBondContact O-OG 3.07Å; S162-D164 WeakPolarHBondContact CB-OD1 3.33Å; S162-D164 PolarHBondContact O-N 3.31Å; S162-D164 VanDerWaalsContact OG-CG 3.31Å; S162-D164 PolarHBondContact OG-N 2.99Å; S162-D164 VanDerWaalsContact OG-N 3.13Å; S162-D164 PolarHBondContact OG-OD1 2.9Å; S162-Q165 PolarHBondContact O-N 2.73Å; S162-T166 PolarHBondContact N-O 2.81Å; S162-V192 PolarHBondContact O-N 3.09Å; S162-V192 VanDerWaalsContact O-N 3.15Å
163	M	96.3	Very high	94.9	Very high	96 Å²	96	27.6 Å²	27.6	47%	0.473	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.7	168.5	-171.4	164.9	-179.1	0	0	112.7	D141 V142 Q165	D141-M163 HydrophobicContact CB-CB 4.03Å; V142-M163 HydrophobicContact CB-CB 4.28Å; V142-M163 PolarHBondContact O-N 3.45Å; M163-Q165 PolarHBondContact O-N 2.89Å
164	D	93.9	Very high	95.3	Very high	31 Å²	31	24.9 Å²	24.9	17%	0.166	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	7.3	172.1	72.8	15.9	0	0	0	114.8	H139 T140 D141 S162 T166	H139-D164 WeakPolarHBondContact CA-OD2 3.39Å; H139-D164 IonicContact CE1-OD1 3.64Å; H139-D164 IonicContact CG-OD2 3.59Å; H139-D164 IonicContact ND1-OD1 3.43Å; H139-D164 PolarHBondContact ND1-OD1 3.19Å; H139-D164 IonicContact ND1-OD2 2.9Å; H139-D164 PolarHBondContact ND1-OD2 3.37Å; T140-D164 PolarHBondContact N-OD2 2.91Å; T140-D164 WeakPolarHBondContact OG1-CB 3.11Å; T140-D164 PolarHBondContact OG1-OD2 3.41Å; D141-D164 HydrophobicContact CB-CB 4Å; S162-D164 WeakPolarHBondContact CB-OD1 3.33Å; S162-D164 PolarHBondContact O-N 3.31Å; S162-D164 VanDerWaalsContact OG-CG 3.31Å; S162-D164 PolarHBondContact OG-N 2.99Å; S162-D164 VanDerWaalsContact OG-N 3.13Å; S162-D164 PolarHBondContact OG-OD1 2.9Å; D164-T166 PolarHBondContact O-N 2.88Å; D164-T166 WeakPolarHBondContact OD1-CB 3.12Å; D164-T166 PolarHBondContact OD1-N 2.82Å; D164-T166 PolarHBondContact OD1-OG1 3.46Å
165	Q	95.2	Very high	95.4	Very high	88 Å²	88	27.4 Å²	27.4	41%	0.411	14%	0.137	S	C	.	.	S	Bend	trans	71.6	11.1	176.5	-41	179.8	-4.2	0	0	114	S162 M163 G190	S162-Q165 PolarHBondContact O-N 2.73Å; M163-Q165 PolarHBondContact O-N 2.89Å; Q165-G190 WeakPolarHBondContact CB-O 3.01Å; Q165-G190 WeakPolarHBondContact CG-O 3.21Å
166	T	95.2	Very high	95.4	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.049	16%	0.164	C	C	.	.			trans	-115.2	154.7	179.7	75.3	0	0	0	0	112.3	S162 D164 R186	S162-T166 PolarHBondContact N-O 2.81Å; D164-T166 PolarHBondContact O-N 2.88Å; D164-T166 WeakPolarHBondContact OD1-CB 3.12Å; D164-T166 PolarHBondContact OD1-N 2.82Å; D164-T166 PolarHBondContact OD1-OG1 3.46Å; T166-R186 HydrophobicContact CG2-CG 4.17Å
167	I	96.9	Very high	95.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.5	163.3	-49.1	92.9	0	0	0	107.7	L159 S160 A161 C185 V192 V195 F204 W216	L159-I167 HydrophobicContact CB-CG2 4.33Å; L159-I167 HydrophobicContact CD2-CG2 3.91Å; S160-I167 CarbonylContact O-C 3.57Å; S160-I167 WeakPolarHBondContact O-CA 3.26Å; S160-I167 WeakPolarHBondContact O-CG2 3.45Å; A161-I167 HydrophobicContact CB-CG1 4.05Å; A161-I167 HydrophobicContact CB-CG2 4.43Å; I167-C185 HydrophobicContact CB-CB 3.94Å; I167-C185 HydrophobicContact CD1-CB 4.14Å; I167-C185 PolarHBondContact N-O 3.34Å; I167-C185 VanDerWaalsContact O-CB 3.28Å; I167-C185 WeakPolarHBondContact O-CB 3.4Å; I167-C185 PolarHBondContact O-N 3.37Å; I167-C185 PolarHBondContact O-SG 2.91Å; I167-V192 HydrophobicContact CD1-CG1 4.02Å; I167-V192 HydrophobicContact CD1-CG2 3.98Å; I167-V192 HydrophobicContact CG1-CB 4.4Å; I167-V192 HydrophobicContact CG1-CG1 3.85Å; I167-V192 HydrophobicContact CG1-CG2 4.35Å; I167-V195 HydrophobicContact CG1-CG1 4.21Å; I167-V195 HydrophobicContact CG2-CG1 4.3Å; I167-F204 HydrophobicContact CB-CE2 4.22Å; I167-F204 HydrophobicContact CB-CZ 4.19Å; I167-F204 HydrophobicContact CG1-CE2 4.24Å; I167-F204 HydrophobicContact CG2-CE2 3.84Å; I167-F204 HydrophobicContact CG2-CZ 3.91Å; I167-W216 HydrophobicContact CD1-CZ2 3.9Å
168	L	96.6	Very high	95.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.4	177	-70.2	173.4	0	0	0	109.8	L159 S160 W170 H183 C184 L243	L159-L168 WeakPolarHBondContact CA-O 3.33Å; S160-L168 PolarHBondContact N-O 3.02Å; S160-L168 PolarHBondContact O-N 2.82Å; L168-W170 HydrophobicContact CB-CZ2 3.87Å; L168-W170 VanDerWaalsContact CB-NE1 3.3Å; L168-W170 HydrophobicContact CD1-CH2 4.08Å; L168-W170 HydrophobicContact CD1-CZ2 3.36Å; L168-W170 HydrophobicContact CG-CZ2 4.21Å; L168-W170 VanDerWaalsContact O-CD1 3.27Å; L168-H183 WeakPolarHBondContact CA-O 3.48Å; L168-C184 HydrophobicContact CD2-CB 3.92Å; L168-L243 WeakPolarHBondContact CD2-O 3.23Å
169	L	96.6	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.7	168.5	175.4	65	0	0	0	108.8	V149 L157 L159 L182 H183 T218	V149-L169 HydrophobicContact CG2-CD1 4.34Å; L157-L169 HydrophobicContact CB-CD1 4.4Å; L159-L169 HydrophobicContact CD2-CB 3.91Å; L159-L169 HydrophobicContact CD2-CD1 3.84Å; L159-L169 HydrophobicContact CD2-CG 4.47Å; L159-L169 HydrophobicContact CG-CD1 4.26Å; L169-L182 HydrophobicContact CG-CB 4.49Å; L169-L182 PolarHBondContact O-N 2.76Å; L169-H183 HydrophobicContact CB-CB 4.05Å; L169-H183 HydrophobicContact CD2-CB 4.33Å; L169-H183 PolarHBondContact N-O 2.87Å; L169-H183 PolarHBondContact O-N 2.55Å; L169-T218 VanDerWaalsContact CD2-O 3.25Å; L169-T218 WeakPolarHBondContact CD2-O 3.22Å
170	W	96.2	Very high	94.8	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.7	-176.7	-57.3	91.4	0	0	0	111	I136 L157 L158 S160 L168 K180 A181 L243	I136-W170 HydrophobicContact CG2-CD2 3.63Å; I136-W170 HydrophobicContact CG2-CE3 3.76Å; I136-W170 HydrophobicContact CG2-CG 4.26Å; I136-W170 HydrophobicContact CG2-CH2 3.82Å; I136-W170 HydrophobicContact CG2-CZ2 3.67Å; I136-W170 HydrophobicContact CG2-CZ3 3.86Å; L157-W170 WeakPolarHBondContact CA-O 2.92Å; L158-W170 HydrophobicContact CD1-CB 3.62Å; L158-W170 VanDerWaalsContact CD1-CD1 3.48Å; L158-W170 HydrophobicContact CD1-CG 3.76Å; L158-W170 HydrophobicContact CG-CB 3.86Å; L158-W170 PolarHBondContact N-O 2.78Å; L158-W170 PolarHBondContact O-N 2.98Å; S160-W170 PolarHBondContact OG-NE1 3.45Å; L168-W170 HydrophobicContact CB-CZ2 3.87Å; L168-W170 VanDerWaalsContact CB-NE1 3.3Å; L168-W170 HydrophobicContact CD1-CH2 4.08Å; L168-W170 HydrophobicContact CD1-CZ2 3.36Å; L168-W170 HydrophobicContact CG-CZ2 4.21Å; L168-W170 VanDerWaalsContact O-CD1 3.27Å; W170-K180 WeakPolarHBondContact CA-O 3.43Å; W170-A181 HydrophobicContact CE3-CB 3.84Å; W170-A181 HydrophobicContact CH2-CB 4.08Å; W170-A181 HydrophobicContact CZ3-CB 3.6Å; W170-L243 HydrophobicContact CH2-CD1 4.37Å
171	E	95.6	Very high	94.6	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.8	162.4	-173.6	-179.3	-161	0	0	109.1	S155 C156 L157 V179 K180 L182	S155-E171 WeakPolarHBondContact OG-CG 3.3Å; S155-E171 PolarHBondContact OG-OE1 3.18Å; C156-E171 CarbonylContact O-C 3.49Å; C156-E171 WeakPolarHBondContact O-CA 3.21Å; L157-E171 HydrophobicContact CD2-CB 4.08Å; L157-E171 HydrophobicContact CD2-CG 4.31Å; E171-V179 CarbonylContact O-C 3.54Å; E171-V179 VanDerWaalsContact O-CA 3.25Å; E171-V179 WeakPolarHBondContact O-CA 3.48Å; E171-K180 PolarHBondContact N-O 3.12Å; E171-K180 PolarHBondContact O-N 3.29Å; E171-L182 HydrophobicContact CB-CD1 3.73Å; E171-L182 HydrophobicContact CB-CD2 4.19Å; E171-L182 HydrophobicContact CB-CG 3.89Å
172	W	96.2	Very high	94.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.5	173.1	177.3	43.9	0	0	0	109.9	W113 I125 I133 W148 S155 C156 L158 V174 N177 V179	W113-W172 AromaticContact CD2-CH2 3.97Å; W113-W172 HydrophobicContact CD2-CH2 3.97Å; W113-W172 AromaticContact CD2-CZ3 3.66Å; W113-W172 HydrophobicContact CD2-CZ3 3.66Å; W113-W172 AromaticContact CE2-CH2 3.77Å; W113-W172 AromaticContact CE2-CZ3 3.84Å; W113-W172 AromaticContact CE3-CZ3 3.85Å; W113-W172 HydrophobicContact CE3-CZ3 3.85Å; W113-W172 HydrophobicContact CG-CH2 4.21Å; W113-W172 HydrophobicContact CG-CZ3 4.14Å; W113-W172 HydrophobicContact CH2-CZ3 4.32Å; W113-W172 HydrophobicContact CZ2-CH2 4.21Å; W113-W172 HydrophobicContact CZ2-CZ3 4.17Å; W113-W172 HydrophobicContact CZ3-CZ3 4.18Å; W113-W172 AromaticContact NE1-CH2 3.9Å; I125-W172 HydrophobicContact CD1-CB 4.48Å; I125-W172 HydrophobicContact CD1-CD2 3.49Å; I125-W172 VanDerWaalsContact CD1-CD2 3.49Å; I125-W172 HydrophobicContact CD1-CE3 3.52Å; I125-W172 HydrophobicContact CD1-CG 3.92Å; I125-W172 HydrophobicContact CD1-CH2 4.37Å; I125-W172 HydrophobicContact CD1-CZ2 4.34Å; I125-W172 HydrophobicContact CD1-CZ3 3.98Å; I125-W172 HydrophobicContact CG2-CH2 3.92Å; I125-W172 HydrophobicContact CG2-CZ2 4.46Å; I125-W172 HydrophobicContact CG2-CZ3 3.97Å; I133-W172 HydrophobicContact CG2-CH2 4.42Å; I133-W172 HydrophobicContact CG2-CZ2 3.77Å; W148-W172 HydrophobicContact CH2-CE3 4.28Å; W148-W172 HydrophobicContact CH2-CZ3 4.21Å; W148-W172 HydrophobicContact CZ3-CE3 4.35Å; S155-W172 CarbonylContact C-O 3.57Å; S155-W172 WeakPolarHBondContact CA-O 3.41Å; C156-W172 HydrophobicContact CB-CB 4.4Å; C156-W172 HydrophobicContact CB-CE3 3.93Å; C156-W172 PolarHBondContact N-O 2.91Å; C156-W172 PolarHBondContact O-N 2.75Å; L158-W172 HydrophobicContact CD2-CB 4.33Å; W172-V174 HydrophobicContact CD2-CG2 4.2Å; W172-V174 HydrophobicContact CE3-CG2 3.95Å; W172-V174 HydrophobicContact CH2-CG1 4.24Å; W172-V174 HydrophobicContact CH2-CG2 4.12Å; W172-V174 HydrophobicContact CZ2-CG1 4.34Å; W172-V174 HydrophobicContact CZ2-CG2 4.35Å; W172-V174 HydrophobicContact CZ3-CG2 3.91Å; W172-V174 PolarHBondContact O-N 2.83Å; W172-N177 PolarHBondContact NE1-OD1 3.01Å; W172-V179 HydrophobicContact CB-CG1 3.89Å; W172-V179 HydrophobicContact CG-CG1 3.94Å
173	N	93.9	Very high	94.2	Very high	47 Å²	47	54.4 Å²	54.4	25%	0.251	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.3	170.6	-173.9	-68.8	0	0	0	108.9	E175 R176 N177 K178	N173-E175 PolarHBondContact OD1-N 3.22Å; N173-R176 WeakPolarHBondContact OD1-CB 3.23Å; N173-R176 WeakPolarHBondContact OD1-CG 3.41Å; N173-R176 PolarHBondContact OD1-N 2.83Å; N173-N177 WeakPolarHBondContact O-CA 3.4Å; N173-N177 PolarHBondContact O-N 3.25Å; N173-K178 PolarHBondContact N-O 3.46Å; N173-K178 PolarHBondContact O-N 3.03Å; N173-K178 VanDerWaalsContact O-N 3.16Å
174	V	91.8	Very high	94.1	Very high	36 Å²	36	50 Å²	50	22%	0.218	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-44.4	-172.1	-177.9	0	0	0	0	110.9	W113 S153 L154 W172 R176 N177	W113-V174 HydrophobicContact CH2-CG1 4.46Å; W113-V174 HydrophobicContact CH2-CG2 3.97Å; W113-V174 HydrophobicContact CZ2-CG1 3.91Å; W113-V174 HydrophobicContact CZ2-CG2 4.17Å; S153-V174 WeakPolarHBondContact O-CB 3.34Å; L154-V174 PolarHBondContact O-N 3.06Å; W172-V174 HydrophobicContact CD2-CG2 4.2Å; W172-V174 HydrophobicContact CE3-CG2 3.95Å; W172-V174 HydrophobicContact CH2-CG1 4.24Å; W172-V174 HydrophobicContact CH2-CG2 4.12Å; W172-V174 HydrophobicContact CZ2-CG1 4.34Å; W172-V174 HydrophobicContact CZ2-CG2 4.35Å; W172-V174 HydrophobicContact CZ3-CG2 3.91Å; W172-V174 PolarHBondContact O-N 2.83Å; V174-R176 PolarHBondContact O-N 2.82Å; V174-N177 PolarHBondContact O-N 2.87Å
175	E	89.8	Confident	94	Very high	146 Å²	146	48.6 Å²	48.6	68%	0.682	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-43.1	-178.2	-65.8	-173.1	159.4	0	0	112.9	L154 N173 N177	L154-E175 HydrophobicContact CD2-CG 4.39Å; L154-E175 WeakPolarHBondContact CD2-OE1 3.39Å; N173-E175 PolarHBondContact OD1-N 3.22Å; E175-N177 VanDerWaalsContact C-N 3.33Å
176	R	91.2	Very high	93.9	Very high	190 Å²	190	47.9 Å²	47.9	72%	0.717	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.5	-180	-63.6	-177.4	177.2	-168.9	-0.9	112.7	N173 V174 K178	N173-R176 WeakPolarHBondContact OD1-CB 3.23Å; N173-R176 WeakPolarHBondContact OD1-CG 3.41Å; N173-R176 PolarHBondContact OD1-N 2.83Å; V174-R176 PolarHBondContact O-N 2.82Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 HydrophobicContact CB-CG 4.43Å; R176-K178 PolarHBondContact O-N 2.89Å
177	N	92.1	Very high	93.7	Very high	60 Å²	60	49.1 Å²	49.1	32%	0.321	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	58.8	-169.2	-165.8	28.1	0	0	0	111.6	I133 M134 W172 N173 V174 E175	I133-N177 PolarHBondContact O-ND2 3.37Å; M134-N177 VanDerWaalsContact CE-C 3.46Å; M134-N177 HydrophobicContact CE-CB 4.35Å; M134-N177 VanDerWaalsContact CE-CG 3.47Å; M134-N177 WeakPolarHBondContact CE-O 3.38Å; M134-N177 WeakPolarHBondContact CE-OD1 3.23Å; W172-N177 PolarHBondContact NE1-OD1 3.01Å; N173-N177 WeakPolarHBondContact O-CA 3.4Å; N173-N177 PolarHBondContact O-N 3.25Å; V174-N177 PolarHBondContact O-N 2.87Å; E175-N177 VanDerWaalsContact C-N 3.33Å
178	K	92.9	Very high	93.6	Very high	147 Å²	147	49.6 Å²	49.6	64%	0.639	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.4	178	-75.1	-170.8	178.9	-173.5	0	110.4	N173 R176	N173-K178 PolarHBondContact N-O 3.46Å; N173-K178 PolarHBondContact O-N 3.03Å; N173-K178 VanDerWaalsContact O-N 3.16Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 HydrophobicContact CB-CG 4.43Å; R176-K178 PolarHBondContact O-N 2.89Å
179	V	94.1	Very high	93.4	Very high	43 Å²	43	53.1 Å²	53.1	26%	0.261	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.3	174.8	-65.2	0	0	0	0	110.9	M134 I136 E171 W172	M134-V179 HydrophobicContact CE-CG1 4.45Å; M134-V179 HydrophobicContact CG-CG1 3.73Å; M134-V179 HydrophobicContact SD-CG1 4.07Å; M134-V179 HydrophobicContact SD-CG2 4.03Å; I136-V179 HydrophobicContact CD1-CG1 4.26Å; I136-V179 HydrophobicContact CG1-CG1 4.1Å; I136-V179 HydrophobicContact CG1-CG2 4.45Å; I136-V179 HydrophobicContact CG2-CG2 4.28Å; E171-V179 CarbonylContact O-C 3.54Å; E171-V179 VanDerWaalsContact O-CA 3.25Å; E171-V179 WeakPolarHBondContact O-CA 3.48Å; W172-V179 HydrophobicContact CB-CG1 3.89Å; W172-V179 HydrophobicContact CG-CG1 3.94Å
180	K	93.7	Very high	93.3	Very high	131 Å²	131	53.6 Å²	53.6	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.4	175.6	-175	-173.4	173.7	-165.1	0	108.7	W170 E171 L182	W170-K180 WeakPolarHBondContact CA-O 3.43Å; E171-K180 PolarHBondContact N-O 3.12Å; E171-K180 PolarHBondContact O-N 3.29Å; K180-L182 HydrophobicContact CD-CD2 4.09Å; K180-L182 HydrophobicContact CG-CD2 4.46Å; K180-L182 PolarHBondContact O-N 3.26Å
181	A	93.8	Very high	93.3	Very high	14 Å²	14	54 Å²	54	12%	0.116	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.2	167.7	0	0	0	0	0	108.7	W170 L243	W170-A181 HydrophobicContact CE3-CB 3.84Å; W170-A181 HydrophobicContact CH2-CB 4.08Å; W170-A181 HydrophobicContact CZ3-CB 3.6Å; A181-L243 HydrophobicContact CB-CB 3.74Å
182	L	92.4	Very high	93.4	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-53.4	177.4	-63.4	178.7	0	0	0	110.6	L157 L169 E171 K180 P220 G244 L245	L157-L182 HydrophobicContact CD2-CD1 3.74Å; L169-L182 HydrophobicContact CG-CB 4.49Å; L169-L182 PolarHBondContact O-N 2.76Å; E171-L182 HydrophobicContact CB-CD1 3.73Å; E171-L182 HydrophobicContact CB-CD2 4.19Å; E171-L182 HydrophobicContact CB-CG 3.89Å; K180-L182 HydrophobicContact CD-CD2 4.09Å; K180-L182 HydrophobicContact CG-CD2 4.46Å; K180-L182 PolarHBondContact O-N 3.26Å; L182-P220 HydrophobicContact CD1-CB 3.91Å; L182-P220 HydrophobicContact CD1-CG 3.74Å; L182-G244 CarbonylContact O-C 3.57Å; L182-G244 VanDerWaalsContact O-CA 3.32Å; L182-G244 WeakPolarHBondContact O-CA 3.35Å; L182-L245 PolarHBondContact O-N 3.21Å
183	H	93.3	Very high	93.4	Very high	3 Å²	3	52 Å²	52	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.5	-174.3	-70.2	-83.2	0	0	0	111.9	L168 L169 T221 L245 R247	L168-H183 WeakPolarHBondContact CA-O 3.48Å; L169-H183 HydrophobicContact CB-CB 4.05Å; L169-H183 HydrophobicContact CD2-CB 4.33Å; L169-H183 PolarHBondContact N-O 2.87Å; L169-H183 PolarHBondContact O-N 2.55Å; H183-T221 PolarHBondContact CE1-O 3.41Å; H183-T221 PolarHBondContact CE1-OG1 3.32Å; H183-T221 PolarHBondContact NE2-N 3.16Å; H183-T221 VanDerWaalsContact NE2-N 3.15Å; H183-T221 PolarHBondContact NE2-O 2.72Å; H183-L245 CarbonylContact C-O 3.58Å; H183-L245 VanDerWaalsContact CA-O 3.28Å; H183-L245 WeakPolarHBondContact CA-O 3.35Å; H183-R247 HydrophobicContact CB-CB 4.26Å; H183-R247 PolarHBondContact CD2-NH2 2.93Å; H183-R247 PolarHBondContact CE1-NH2 2.76Å; H183-R247 PolarHBondContact ND1-NE 3.49Å; H183-R247 PolarHBondContact ND1-NH2 2.96Å; H183-R247 PolarHBondContact NE2-NH2 2.92Å; H183-R247 VanDerWaalsContact NE2-NH2 3.19Å
184	C	94.1	Very high	93.6	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99	171.6	-170.6	0	0	0	0	108.8	L168 R186 L243 L245 T246 R247	L168-C184 HydrophobicContact CD2-CB 3.92Å; C184-R186 PolarHBondContact O-N 3.25Å; C184-L243 WeakPolarHBondContact CB-O 3.42Å; C184-L245 PolarHBondContact N-O 3.5Å; C184-T246 WeakPolarHBondContact O-CA 3.49Å; C184-R247 PolarHBondContact O-N 2.8Å
185	C	93.6	Very high	93.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.3	-179	-53.4	0	0	0	0	109.2	I167 F204 W216 R247	I167-C185 HydrophobicContact CB-CB 3.94Å; I167-C185 HydrophobicContact CD1-CB 4.14Å; I167-C185 PolarHBondContact N-O 3.34Å; I167-C185 VanDerWaalsContact O-CB 3.28Å; I167-C185 WeakPolarHBondContact O-CB 3.4Å; I167-C185 PolarHBondContact O-N 3.37Å; I167-C185 PolarHBondContact O-SG 2.91Å; C185-F204 HydrophobicContact CB-CZ 4.37Å; C185-W216 HydrophobicContact CB-CD2 4.09Å; C185-W216 HydrophobicContact CB-CE3 3.63Å; C185-W216 HydrophobicContact CB-CH2 4.17Å; C185-W216 HydrophobicContact CB-CZ3 3.67Å; C185-R247 CarbonylContact C-O 3.59Å; C185-R247 WeakPolarHBondContact CA-O 3.42Å
186	R	93	Very high	94.2	Very high	73 Å²	73	42.3 Å²	42.3	28%	0.275	22%	0.222	S	C	.	.			trans	-119.9	138.8	-179.6	-72.4	-155.2	166.7	110.5	-0.3	111.4	T166 C184 W216 M227 T246 R247	T166-R186 HydrophobicContact CG2-CG 4.17Å; C184-R186 PolarHBondContact O-N 3.25Å; R186-W216 WeakPolarHBondContact O-CH2 3.39Å; R186-W216 WeakPolarHBondContact O-CZ3 3.17Å; R186-M227 HydrophobicContact CB-CE 4.46Å; R186-M227 HydrophobicContact CB-SD 4.15Å; R186-T246 HydrophobicContact CB-CG2 4.28Å; R186-R247 PolarHBondContact N-O 3Å
187	G	90.4	Very high	94.4	Very high	34 Å²	34	34.8 Å²	34.8	35%	0.351	20%	0.197	S	C	.	.			trans	160.6	-17.2	177.8	0	0	0	0	0	114.4	K214	G187-K214 VanDerWaalsContact C-CE 3.47Å; G187-K214 WeakPolarHBondContact O-CE 3.39Å; G187-K214 PolarHBondContact O-NZ 3.03Å
188	H	94.3	Very high	94.5	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.051	19%	0.185	C	C	.	.			trans	-77.9	150.5	171	-76.8	-66	0	0	0	111.6	V192 S206 S208 D210 W216	H188-V192 HydrophobicContact CB-CG2 4.05Å; H188-S206 PolarHBondContact NE2-OG 3.05Å; H188-S208 WeakPolarHBondContact CE1-CB 3.38Å; H188-S208 WeakPolarHBondContact ND1-CB 3.27Å; H188-D210 WeakPolarHBondContact CA-OD2 3.44Å; H188-D210 IonicContact CE1-OD1 2.94Å; H188-D210 IonicContact CG-OD2 3.62Å; H188-D210 IonicContact ND1-OD1 2.83Å; H188-D210 PolarHBondContact ND1-OD1 2.91Å; H188-D210 IonicContact ND1-OD2 3.57Å; H188-D210 PolarHBondContact ND1-OD2 3.06Å; H188-W216 AromaticContact CD2-CZ2 3.84Å; H188-W216 AromaticContact NE2-CZ2 3.99Å
189	A	93.5	Very high	94.2	Very high	79 Å²	79	29.6 Å²	29.6	65%	0.653	20%	0.196	S	C	*	.	S	Bend	trans	-106	10.4	176.9	0	0	0	0	0	113.1	D210	A189-D210 HydrophobicContact CB-CB 4.08Å; A189-D210 PolarHBondContact N-OD2 2.95Å
190	G	94.3	Very high	93.9	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	21%	0.209	C	C	.	.	S	Bend	trans	-154.7	-179.2	-177.7	0	0	0	0	0	111.9	Q165 V192 S208	Q165-G190 WeakPolarHBondContact CB-O 3.01Å; Q165-G190 WeakPolarHBondContact CG-O 3.21Å; G190-V192 PolarHBondContact O-N 3.48Å; G190-S208 PolarHBondContact O-OG 3.43Å
191	S	96.3	Very high	93.8	Very high	16 Å²	16	25.8 Å²	25.8	11%	0.112	19%	0.191	C	C	.	.			trans	-52.7	134.8	177.5	-177	0	0	0	0	110.7	D193 S208 W209	S191-D193 WeakPolarHBondContact CB-OD1 3.46Å; S191-D193 PolarHBondContact OG-OD1 2.86Å; S191-S208 CarbonylContact O-C 3.28Å; S191-S208 WeakPolarHBondContact O-CA 3.41Å; S191-S208 VanDerWaalsContact O-CB 3.28Å; S191-S208 WeakPolarHBondContact O-CB 3.49Å; S191-S208 PolarHBondContact O-OG 2.93Å; S191-W209 PolarHBondContact O-N 3.23Å
192	V	97.4	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.7	172.6	-172.4	0	0	0	0	107.6	K144 A161 S162 I167 H188 G190 V195	K144-V192 VanDerWaalsContact CB-O 3.31Å; K144-V192 WeakPolarHBondContact CB-O 3.18Å; A161-V192 HydrophobicContact CB-CB 3.95Å; A161-V192 HydrophobicContact CB-CG1 3.65Å; S162-V192 PolarHBondContact O-N 3.09Å; S162-V192 VanDerWaalsContact O-N 3.15Å; I167-V192 HydrophobicContact CD1-CG1 4.02Å; I167-V192 HydrophobicContact CD1-CG2 3.98Å; I167-V192 HydrophobicContact CG1-CB 4.4Å; I167-V192 HydrophobicContact CG1-CG1 3.85Å; I167-V192 HydrophobicContact CG1-CG2 4.35Å; H188-V192 HydrophobicContact CB-CG2 4.05Å; G190-V192 PolarHBondContact O-N 3.48Å; V192-V195 HydrophobicContact CG1-CG1 4.29Å
193	D	96.4	Very high	93.7	Very high	26 Å²	26	30.4 Å²	30.4	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-20.8	-167.4	-65.5	-37.4	0	0	0	113.5	K144 S191 G207	K144-D193 VanDerWaalsContact CE-OD1 3.26Å; K144-D193 WeakPolarHBondContact CE-OD1 3.24Å; S191-D193 WeakPolarHBondContact CB-OD1 3.46Å; S191-D193 PolarHBondContact OG-OD1 2.86Å; D193-G207 PolarHBondContact N-O 2.94Å
194	S	97.1	Very high	93.9	Very high	8 Å²	8	30.3 Å²	30.3	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.1	179.2	-174.2	0	0	0	0	112.4	D145 S206 G207 V263	D145-S194 VanDerWaalsContact OD2-CA 3.29Å; D145-S194 WeakPolarHBondContact OD2-CA 3.31Å; D145-S194 PolarHBondContact OD2-OG 3.01Å; S194-S206 CarbonylContact O-C 3.53Å; S194-S206 VanDerWaalsContact O-CA 3.28Å; S194-S206 WeakPolarHBondContact O-CA 3.37Å; S194-G207 PolarHBondContact N-O 2.85Å; S194-G207 PolarHBondContact O-N 3.27Å; S194-V263 PolarHBondContact OG-N 3.16Å; S194-V263 VanDerWaalsContact OG-N 3.16Å
195	V	97.4	Very high	94	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.6	172.9	-69.1	0	0	0	0	111.5	D145 A147 A161 I167 V192 F204 C205	D145-V195 HydrophobicContact CB-CG2 4.02Å; D145-V195 PolarHBondContact OD2-N 2.84Å; A147-V195 HydrophobicContact CB-CG2 4.11Å; A161-V195 HydrophobicContact CB-CG1 3.53Å; A161-V195 HydrophobicContact CB-CG2 4.34Å; I167-V195 HydrophobicContact CG1-CG1 4.21Å; I167-V195 HydrophobicContact CG2-CG1 4.3Å; V192-V195 HydrophobicContact CG1-CG1 4.29Å; V195-F204 HydrophobicContact CG1-CD2 4.46Å; V195-F204 HydrophobicContact CG1-CE2 4.44Å; V195-C205 VanDerWaalsContact CA-O 3.32Å; V195-C205 WeakPolarHBondContact CA-O 3.28Å
196	A	97	Very high	94.2	Very high	15 Å²	15	30 Å²	30	12%	0.124	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.3	173	0	0	0	0	0	111.2	F204 C205 V263 W265	A196-F204 CarbonylContact O-C 3.58Å; A196-F204 WeakPolarHBondContact O-CA 3.25Å; A196-F204 WeakPolarHBondContact O-CB 3.43Å; A196-C205 PolarHBondContact N-O 3.27Å; A196-C205 PolarHBondContact O-N 2.9Å; A196-V263 HydrophobicContact CB-CG2 4.27Å; A196-V263 WeakPolarHBondContact CB-O 3.44Å; A196-W265 PolarHBondContact O-NE1 3.03Å
197	V	96.4	Very high	94.4	Very high	32 Å²	32	26.6 Å²	26.6	19%	0.194	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.2	176.6	-176.6	0	0	0	0	109	A147 V149 L159 F204 W265	A147-V197 HydrophobicContact CB-CG2 3.78Å; V149-V197 HydrophobicContact CG2-CG1 4.44Å; V149-V197 HydrophobicContact CG2-CG2 3.87Å; L159-V197 HydrophobicContact CD1-CG2 3.7Å; V197-F204 HydrophobicContact CG2-CB 4.11Å; V197-W265 VanDerWaalsContact C-CD1 3.48Å; V197-W265 VanDerWaalsContact O-CD1 3.3Å
198	D	93.5	Very high	94.7	Very high	14 Å²	14	25 Å²	25	8%	0.075	18%	0.18	C	C	.	.			trans	-73.7	166	178.3	88.9	-63.5	0	0	0	112.1	S200 G201 T202 K203 W265	D198-S200 VanDerWaalsContact CG-OG 3.29Å; D198-S200 PolarHBondContact O-N 2.62Å; D198-S200 PolarHBondContact OD1-OG 3.45Å; D198-S200 VanDerWaalsContact OD2-CB 3.25Å; D198-S200 WeakPolarHBondContact OD2-CB 3.43Å; D198-S200 PolarHBondContact OD2-N 3.02Å; D198-S200 PolarHBondContact OD2-OG 3.19Å; D198-G201 PolarHBondContact O-N 2.86Å; D198-G201 WeakPolarHBondContact OD1-CA 3.28Å; D198-G201 PolarHBondContact OD1-N 3.34Å; D198-T202 PolarHBondContact OD1-N 3.23Å; D198-K203 HydrophobicContact CB-CB 4.46Å; D198-K203 PolarHBondContact N-O 3.12Å; D198-K203 PolarHBondContact OD1-N 3.17Å; D198-W265 HydrophobicContact CB-CD2 3.74Å; D198-W265 HydrophobicContact CB-CE3 4.01Å; D198-W265 HydrophobicContact CB-CG 4.23Å; D198-W265 HydrophobicContact CB-CH2 4.15Å; D198-W265 HydrophobicContact CB-CZ2 3.9Å; D198-W265 HydrophobicContact CB-CZ3 4.19Å
199	G	86.3	Confident	94.8	Very high	84 Å²	84	30.6 Å²	30.6	87%	0.866	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.3	-179.5	0	0	0	0	0	114.6
200	S	88.8	Confident	94.8	Very high	77 Å²	77	28.1 Å²	28.1	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.8	175.6	76.6	0	0	0	0	113.5	D198 T202	D198-S200 VanDerWaalsContact CG-OG 3.29Å; D198-S200 PolarHBondContact O-N 2.62Å; D198-S200 PolarHBondContact OD1-OG 3.45Å; D198-S200 VanDerWaalsContact OD2-CB 3.25Å; D198-S200 WeakPolarHBondContact OD2-CB 3.43Å; D198-S200 PolarHBondContact OD2-N 3.02Å; D198-S200 PolarHBondContact OD2-OG 3.19Å; S200-T202 PolarHBondContact O-N 2.82Å; S200-T202 WeakPolarHBondContact OG-CG2 3.48Å; S200-T202 PolarHBondContact OG-N 3.16Å; S200-T202 PolarHBondContact OG-OG1 2.9Å
201	G	89.9	Confident	94.9	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	19%	0.189	C	C	.	.	S	Bend	trans	70.3	14.2	-174.7	0	0	0	0	0	114.2	V149 D198 T218	V149-G201 WeakPolarHBondContact CG1-O 3.41Å; D198-G201 PolarHBondContact O-N 2.86Å; D198-G201 WeakPolarHBondContact OD1-CA 3.28Å; D198-G201 PolarHBondContact OD1-N 3.34Å; G201-T218 PolarHBondContact O-OG1 3.15Å
202	T	91.4	Very high	94.9	Very high	57 Å²	57	33.8 Å²	33.8	35%	0.35	20%	0.198	S	C	.	.	S	Bend	trans	-98	-18.7	-178.9	65.5	0	0	0	0	113.4	D198 S200 T218	D198-T202 PolarHBondContact OD1-N 3.23Å; S200-T202 PolarHBondContact O-N 2.82Å; S200-T202 WeakPolarHBondContact OG-CG2 3.48Å; S200-T202 PolarHBondContact OG-N 3.16Å; S200-T202 PolarHBondContact OG-OG1 2.9Å; T202-T218 WeakPolarHBondContact CA-OG1 3.46Å; T202-T218 PolarHBondContact O-N 3.25Å; T202-T218 PolarHBondContact O-OG1 3.42Å
203	K	94.2	Very high	94.8	Very high	74 Å²	74	33.9 Å²	33.9	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.2	-179.2	-73.5	178.7	-94.8	178.1	0	110.3	D198 I215 W216 I250 W265	D198-K203 HydrophobicContact CB-CB 4.46Å; D198-K203 PolarHBondContact N-O 3.12Å; D198-K203 PolarHBondContact OD1-N 3.17Å; K203-I215 HydrophobicContact CD-CG2 4.5Å; K203-W216 VanDerWaalsContact CA-O 3.25Å; K203-W216 WeakPolarHBondContact CA-O 3.49Å; K203-I250 HydrophobicContact CD-CD1 4.36Å; K203-I250 HydrophobicContact CG-CD1 4.32Å; K203-W265 HydrophobicContact CB-CH2 4.45Å; K203-W265 HydrophobicContact CB-CZ2 4.38Å
204	F	96.4	Very high	94.7	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.3	168.8	76.8	-86.3	0	0	0	110.1	L159 I167 C185 V195 A196 V197 I215 W216 T218	L159-F204 HydrophobicContact CD1-CB 3.88Å; L159-F204 HydrophobicContact CD1-CD1 3.75Å; L159-F204 HydrophobicContact CD1-CD2 3.95Å; L159-F204 HydrophobicContact CD1-CE1 4.16Å; L159-F204 HydrophobicContact CD1-CE2 4.4Å; L159-F204 HydrophobicContact CD1-CG 3.6Å; L159-F204 HydrophobicContact CD1-CZ 4.48Å; L159-F204 HydrophobicContact CD2-CD1 4.29Å; L159-F204 HydrophobicContact CD2-CE1 3.87Å; L159-F204 HydrophobicContact CD2-CZ 4.04Å; I167-F204 HydrophobicContact CB-CE2 4.22Å; I167-F204 HydrophobicContact CB-CZ 4.19Å; I167-F204 HydrophobicContact CG1-CE2 4.24Å; I167-F204 HydrophobicContact CG2-CE2 3.84Å; I167-F204 HydrophobicContact CG2-CZ 3.91Å; C185-F204 HydrophobicContact CB-CZ 4.37Å; V195-F204 HydrophobicContact CG1-CD2 4.46Å; V195-F204 HydrophobicContact CG1-CE2 4.44Å; A196-F204 CarbonylContact O-C 3.58Å; A196-F204 WeakPolarHBondContact O-CA 3.25Å; A196-F204 WeakPolarHBondContact O-CB 3.43Å; V197-F204 HydrophobicContact CG2-CB 4.11Å; F204-I215 CarbonylContact O-C 3.58Å; F204-I215 WeakPolarHBondContact O-CA 3.45Å; F204-W216 HydrophobicContact CD1-CB 3.7Å; F204-W216 HydrophobicContact CD1-CG 4.41Å; F204-W216 HydrophobicContact CD2-CB 4.48Å; F204-W216 AromaticContact CD2-CD1 3.78Å; F204-W216 HydrophobicContact CD2-CG 4.4Å; F204-W216 HydrophobicContact CE1-CB 3.27Å; F204-W216 AromaticContact CE1-CG 3.84Å; F204-W216 HydrophobicContact CE1-CG 3.84Å; F204-W216 HydrophobicContact CE2-CB 4.08Å; F204-W216 AromaticContact CE2-CD1 3.3Å; F204-W216 AromaticContact CE2-CG 3.76Å; F204-W216 HydrophobicContact CE2-CG 3.76Å; F204-W216 AromaticContact CE2-NE1 3.89Å; F204-W216 HydrophobicContact CG-CB 4.32Å; F204-W216 HydrophobicContact CZ-CB 3.47Å; F204-W216 VanDerWaalsContact CZ-CB 3.47Å; F204-W216 AromaticContact CZ-CD1 3.53Å; F204-W216 HydrophobicContact CZ-CD2 4.17Å; F204-W216 AromaticContact CZ-CG 3.45Å; F204-W216 HydrophobicContact CZ-CG 3.45Å; F204-W216 VanDerWaalsContact CZ-CG 3.45Å; F204-W216 PolarHBondContact N-O 2.73Å; F204-W216 PolarHBondContact O-N 3.24Å; F204-T218 HydrophobicContact CB-CG2 4.01Å; F204-T218 HydrophobicContact CD1-CG2 3.51Å; F204-T218 HydrophobicContact CE1-CG2 4.42Å; F204-T218 HydrophobicContact CG-CG2 4.2Å
205	C	96.6	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.1	173	67.6	0	0	0	0	110.6	V195 A196 L213 K214 I215 W265 I271	V195-C205 VanDerWaalsContact CA-O 3.32Å; V195-C205 WeakPolarHBondContact CA-O 3.28Å; A196-C205 PolarHBondContact N-O 3.27Å; A196-C205 PolarHBondContact O-N 2.9Å; C205-L213 HydrophobicContact CB-CD2 4.09Å; C205-K214 CarbonylContact C-O 3.59Å; C205-K214 WeakPolarHBondContact CA-O 3.3Å; C205-I215 HydrophobicContact CB-CG1 4.32Å; C205-W265 HydrophobicContact CB-CZ2 4.19Å; C205-W265 PolarHBondContact SG-NE1 3.43Å; C205-W265 VanDerWaalsContact SG-NE1 3.39Å; C205-I271 HydrophobicContact CB-CD1 3.69Å
206	S	97.6	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.9	177.4	59.4	0	0	0	0	111	H188 S194 L213 K214 W216	H188-S206 PolarHBondContact NE2-OG 3.05Å; S194-S206 CarbonylContact O-C 3.53Å; S194-S206 VanDerWaalsContact O-CA 3.28Å; S194-S206 WeakPolarHBondContact O-CA 3.37Å; S206-L213 VanDerWaalsContact O-CA 3.3Å; S206-L213 WeakPolarHBondContact O-CA 3.15Å; S206-K214 PolarHBondContact N-O 3.23Å; S206-K214 PolarHBondContact O-N 3.07Å; S206-K214 PolarHBondContact OG-O 3.18Å; S206-W216 PolarHBondContact OG-NE1 2.85Å
207	G	97.1	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.5	170	0	0	0	0	0	110.4	D193 S194	D193-G207 PolarHBondContact N-O 2.94Å; S194-G207 PolarHBondContact N-O 2.85Å; S194-G207 PolarHBondContact O-N 3.27Å
208	S	97.4	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.9	-175.7	175.9	0	0	0	0	113	H188 G190 S191 D210 K211 M212 V260	H188-S208 WeakPolarHBondContact CE1-CB 3.38Å; H188-S208 WeakPolarHBondContact ND1-CB 3.27Å; G190-S208 PolarHBondContact O-OG 3.43Å; S191-S208 CarbonylContact O-C 3.28Å; S191-S208 WeakPolarHBondContact O-CA 3.41Å; S191-S208 VanDerWaalsContact O-CB 3.28Å; S191-S208 WeakPolarHBondContact O-CB 3.49Å; S191-S208 PolarHBondContact O-OG 2.93Å; S208-D210 VanDerWaalsContact CB-OD1 3.24Å; S208-D210 WeakPolarHBondContact CB-OD1 3.13Å; S208-D210 PolarHBondContact O-N 2.81Å; S208-D210 PolarHBondContact OG-N 3.2Å; S208-D210 PolarHBondContact OG-OD1 3.33Å; S208-K211 PolarHBondContact O-N 2.74Å; S208-M212 PolarHBondContact N-O 2.83Å; S208-V260 PolarHBondContact O-N 2.89Å
209	W	95.8	Very high	94.1	Very high	129 Å²	129	35.4 Å²	35.4	49%	0.489	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.9	170.2	-157.5	-85.5	0	0	0	113.6	S191 K211 A259 W276	S191-W209 PolarHBondContact O-N 3.23Å; W209-K211 PolarHBondContact O-N 2.9Å; W209-A259 HydrophobicContact CB-CB 4.46Å; W209-A259 HydrophobicContact CD2-CB 3.73Å; W209-A259 HydrophobicContact CE3-CB 3.7Å; W209-A259 HydrophobicContact CG-CB 4.1Å; W209-A259 HydrophobicContact CZ3-CB 4.15Å; W209-W276 HydrophobicContact CH2-CE3 4.22Å; W209-W276 AromaticContact CH2-CH2 3.62Å; W209-W276 HydrophobicContact CH2-CH2 3.62Å; W209-W276 AromaticContact CH2-CZ2 3.99Å; W209-W276 HydrophobicContact CH2-CZ2 3.99Å; W209-W276 AromaticContact CH2-CZ3 3.74Å; W209-W276 HydrophobicContact CH2-CZ3 3.74Å; W209-W276 HydrophobicContact CZ2-CZ3 4.42Å; W209-W276 HydrophobicContact CZ3-CH2 4.18Å; W209-W276 HydrophobicContact CZ3-CZ2 4.08Å
210	D	94.5	Very high	94.2	Very high	28 Å²	28	34.3 Å²	34.3	15%	0.15	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	5.9	176.5	72.6	0.6	0	0	0	114.6	H188 A189 S208 M212	H188-D210 WeakPolarHBondContact CA-OD2 3.44Å; H188-D210 IonicContact CE1-OD1 2.94Å; H188-D210 IonicContact CG-OD2 3.62Å; H188-D210 IonicContact ND1-OD1 2.83Å; H188-D210 PolarHBondContact ND1-OD1 2.91Å; H188-D210 IonicContact ND1-OD2 3.57Å; H188-D210 PolarHBondContact ND1-OD2 3.06Å; A189-D210 HydrophobicContact CB-CB 4.08Å; A189-D210 PolarHBondContact N-OD2 2.95Å; S208-D210 VanDerWaalsContact CB-OD1 3.24Å; S208-D210 WeakPolarHBondContact CB-OD1 3.13Å; S208-D210 PolarHBondContact O-N 2.81Å; S208-D210 PolarHBondContact OG-N 3.2Å; S208-D210 PolarHBondContact OG-OD1 3.33Å; D210-M212 PolarHBondContact O-N 2.85Å; D210-M212 WeakPolarHBondContact OD1-CA 3.46Å; D210-M212 WeakPolarHBondContact OD1-CB 3.4Å; D210-M212 PolarHBondContact OD1-N 2.89Å
211	K	95.6	Very high	94	Very high	82 Å²	82	33.3 Å²	33.3	36%	0.357	18%	0.176	S	C	.	.	S	Bend	trans	73.5	4.7	179.1	-40.7	168.7	-179.6	-146.5	0	113.6	S208 W209 M257 E258	S208-K211 PolarHBondContact O-N 2.74Å; W209-K211 PolarHBondContact O-N 2.9Å; K211-M257 VanDerWaalsContact CD-O 3.28Å; K211-M257 WeakPolarHBondContact CD-O 3.42Å; K211-M257 WeakPolarHBondContact CE-O 3.34Å; K211-M257 PolarHBondContact NZ-O 2.88Å; K211-E258 IonicContact NZ-OE1 2.69Å
212	M	95	Very high	93.4	Very high	63 Å²	63	40.1 Å²	40.1	31%	0.31	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.6	-177.3	-54.1	-62.2	173.3	0	0	110.8	S208 D210 T252 S254	S208-M212 PolarHBondContact N-O 2.83Å; D210-M212 PolarHBondContact O-N 2.85Å; D210-M212 WeakPolarHBondContact OD1-CA 3.46Å; D210-M212 WeakPolarHBondContact OD1-CB 3.4Å; D210-M212 PolarHBondContact OD1-N 2.89Å; M212-T252 HydrophobicContact CB-CG2 4.12Å; M212-T252 HydrophobicContact CG-CG2 4.33Å; M212-T252 HydrophobicContact SD-CG2 4.25Å; M212-S254 VanDerWaalsContact SD-CB 3.58Å
213	L	95.4	Very high	92.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130	164.9	-168	152.7	0	0	0	108	C205 S206 I215 T252 L253 V263 I271 S273	C205-L213 HydrophobicContact CB-CD2 4.09Å; S206-L213 VanDerWaalsContact O-CA 3.3Å; S206-L213 WeakPolarHBondContact O-CA 3.15Å; L213-I215 HydrophobicContact CD2-CG1 4.32Å; L213-T252 CarbonylContact O-C 3.45Å; L213-L253 HydrophobicContact CB-CB 4.25Å; L213-L253 HydrophobicContact CD2-CB 4.46Å; L213-L253 HydrophobicContact CD2-CD1 3.81Å; L213-L253 HydrophobicContact CD2-CG 4.39Å; L213-L253 PolarHBondContact N-O 3.31Å; L213-L253 PolarHBondContact O-N 2.8Å; L213-V263 HydrophobicContact CD1-CB 4.34Å; L213-V263 HydrophobicContact CD1-CG1 3.49Å; L213-V263 VanDerWaalsContact CD1-CG1 3.49Å; L213-V263 HydrophobicContact CG-CG1 4.1Å; L213-I271 HydrophobicContact CD1-CG2 3.93Å; L213-I271 HydrophobicContact CD2-CD1 4.26Å; L213-I271 HydrophobicContact CD2-CG2 4.28Å; L213-S273 VanDerWaalsContact CD1-CB 3.43Å
214	K	96.2	Very high	91.6	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.087	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142	-178.3	-70.9	177.2	-173.7	-85.5	0	110.3	G187 C205 S206 W216 P249 V251 T252	G187-K214 VanDerWaalsContact C-CE 3.47Å; G187-K214 WeakPolarHBondContact O-CE 3.39Å; G187-K214 PolarHBondContact O-NZ 3.03Å; C205-K214 CarbonylContact C-O 3.59Å; C205-K214 WeakPolarHBondContact CA-O 3.3Å; S206-K214 PolarHBondContact N-O 3.23Å; S206-K214 PolarHBondContact O-N 3.07Å; S206-K214 PolarHBondContact OG-O 3.18Å; K214-W216 HydrophobicContact CB-CZ2 3.62Å; K214-W216 HydrophobicContact CD-CH2 4.01Å; K214-W216 HydrophobicContact CD-CZ2 3.57Å; K214-W216 HydrophobicContact CG-CZ2 4.23Å; K214-W216 PolarHBondContact O-NE1 3.49Å; K214-P249 HydrophobicContact CB-CB 3.96Å; K214-P249 HydrophobicContact CD-CB 4.07Å; K214-P249 HydrophobicContact CD-CG 4.05Å; K214-P249 HydrophobicContact CG-CB 4.13Å; K214-P249 HydrophobicContact CG-CG 4.49Å; K214-V251 WeakPolarHBondContact CA-O 3.46Å; K214-T252 HydrophobicContact CG-CG2 4.02Å; K214-T252 PolarHBondContact NZ-OG1 3.12Å
215	I	95.6	Very high	90.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.1	174.8	-52.3	-178.5	0	0	0	108.2	K203 F204 C205 L213 P249 I250 V251 L253 W265 I271 V285	K203-I215 HydrophobicContact CD-CG2 4.5Å; F204-I215 CarbonylContact O-C 3.58Å; F204-I215 WeakPolarHBondContact O-CA 3.45Å; C205-I215 HydrophobicContact CB-CG1 4.32Å; L213-I215 HydrophobicContact CD2-CG1 4.32Å; I215-P249 CarbonylContact O-C 3.6Å; I215-P249 WeakPolarHBondContact O-CA 2.93Å; I215-I250 PolarHBondContact O-N 3.44Å; I215-V251 HydrophobicContact CB-CG1 3.64Å; I215-V251 HydrophobicContact CD1-CG1 3.5Å; I215-V251 HydrophobicContact CG1-CG1 3.7Å; I215-V251 PolarHBondContact N-O 3.46Å; I215-L253 HydrophobicContact CD1-CD1 4.24Å; I215-W265 HydrophobicContact CG2-CH2 4.39Å; I215-W265 HydrophobicContact CG2-CZ2 4.4Å; I215-I271 HydrophobicContact CD1-CD1 3.5Å; I215-I271 HydrophobicContact CG1-CD1 3.9Å; I215-V285 HydrophobicContact CD1-CB 4.2Å; I215-V285 HydrophobicContact CD1-CG1 3.62Å; I215-V285 HydrophobicContact CD1-CG2 3.8Å
216	W	95.4	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.6	-171.6	-45.6	82	0	0	0	109.9	I167 C185 R186 H188 K203 F204 S206 K214 P249	I167-W216 HydrophobicContact CD1-CZ2 3.9Å; C185-W216 HydrophobicContact CB-CD2 4.09Å; C185-W216 HydrophobicContact CB-CE3 3.63Å; C185-W216 HydrophobicContact CB-CH2 4.17Å; C185-W216 HydrophobicContact CB-CZ3 3.67Å; R186-W216 WeakPolarHBondContact O-CH2 3.39Å; R186-W216 WeakPolarHBondContact O-CZ3 3.17Å; H188-W216 AromaticContact CD2-CZ2 3.84Å; H188-W216 AromaticContact NE2-CZ2 3.99Å; K203-W216 VanDerWaalsContact CA-O 3.25Å; K203-W216 WeakPolarHBondContact CA-O 3.49Å; F204-W216 HydrophobicContact CD1-CB 3.7Å; F204-W216 HydrophobicContact CD1-CG 4.41Å; F204-W216 HydrophobicContact CD2-CB 4.48Å; F204-W216 AromaticContact CD2-CD1 3.78Å; F204-W216 HydrophobicContact CD2-CG 4.4Å; F204-W216 HydrophobicContact CE1-CB 3.27Å; F204-W216 AromaticContact CE1-CG 3.84Å; F204-W216 HydrophobicContact CE1-CG 3.84Å; F204-W216 HydrophobicContact CE2-CB 4.08Å; F204-W216 AromaticContact CE2-CD1 3.3Å; F204-W216 AromaticContact CE2-CG 3.76Å; F204-W216 HydrophobicContact CE2-CG 3.76Å; F204-W216 AromaticContact CE2-NE1 3.89Å; F204-W216 HydrophobicContact CG-CB 4.32Å; F204-W216 HydrophobicContact CZ-CB 3.47Å; F204-W216 VanDerWaalsContact CZ-CB 3.47Å; F204-W216 AromaticContact CZ-CD1 3.53Å; F204-W216 HydrophobicContact CZ-CD2 4.17Å; F204-W216 AromaticContact CZ-CG 3.45Å; F204-W216 HydrophobicContact CZ-CG 3.45Å; F204-W216 VanDerWaalsContact CZ-CG 3.45Å; F204-W216 PolarHBondContact N-O 2.73Å; F204-W216 PolarHBondContact O-N 3.24Å; S206-W216 PolarHBondContact OG-NE1 2.85Å; K214-W216 HydrophobicContact CB-CZ2 3.62Å; K214-W216 HydrophobicContact CD-CH2 4.01Å; K214-W216 HydrophobicContact CD-CZ2 3.57Å; K214-W216 HydrophobicContact CG-CZ2 4.23Å; K214-W216 PolarHBondContact O-NE1 3.49Å; W216-P249 HydrophobicContact CD2-CB 4.07Å; W216-P249 HydrophobicContact CE3-CB 3.89Å; W216-P249 HydrophobicContact CH2-CB 4.01Å; W216-P249 HydrophobicContact CH2-CG 4.23Å; W216-P249 HydrophobicContact CZ2-CB 4.17Å; W216-P249 HydrophobicContact CZ3-CB 3.87Å; W216-P249 VanDerWaalsContact CZ3-CD 3.48Å; W216-P249 HydrophobicContact CZ3-CG 4.19Å; W216-P249 VanDerWaalsContact CZ3-N 3.33Å
217	S	94.2	Very high	87.2	Confident	34 Å²	34	63 Å²	63	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.7	168.8	-179	0	0	0	0	110.1	V219 R247	S217-V219 PolarHBondContact OG-N 3.04Å; S217-R247 WeakPolarHBondContact O-CD 3.1Å; S217-R247 PolarHBondContact O-NH1 3.5Å
218	T	91.5	Very high	84.8	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.018	36%	0.36	C	S	.	.			trans	-93.6	-11.3	168.7	57.7	0	0	0	0	112.4	V149 L159 L169 G201 T202 F204 P220	V149-T218 HydrophobicContact CG1-CG2 3.89Å; V149-T218 HydrophobicContact CG2-CG2 3.89Å; L159-T218 HydrophobicContact CD1-CG2 4.29Å; L169-T218 VanDerWaalsContact CD2-O 3.25Å; L169-T218 WeakPolarHBondContact CD2-O 3.22Å; G201-T218 PolarHBondContact O-OG1 3.15Å; T202-T218 WeakPolarHBondContact CA-OG1 3.46Å; T202-T218 PolarHBondContact O-N 3.25Å; T202-T218 PolarHBondContact O-OG1 3.42Å; F204-T218 HydrophobicContact CB-CG2 4.01Å; F204-T218 HydrophobicContact CD1-CG2 3.51Å; F204-T218 HydrophobicContact CE1-CG2 4.42Å; F204-T218 HydrophobicContact CG-CG2 4.2Å; T218-P220 VanDerWaalsContact O-CD 3.28Å; T218-P220 WeakPolarHBondContact O-CD 3.36Å
219	V	91.7	Very high	82	Confident	71 Å²	71	79.8 Å²	79.8	43%	0.43	39%	0.394	S	S	.	.	S	Bend	trans	-68.7	120.5	-175.3	-179	0	0	0	0	109	S217 T221 R247	S217-V219 PolarHBondContact OG-N 3.04Å; V219-T221 PolarHBondContact O-N 3.24Å; V219-R247 VanDerWaalsContact O-CZ 3.24Å; V219-R247 PolarHBondContact O-NH1 3.25Å; V219-R247 PolarHBondContact O-NH2 2.88Å
220	P	87.3	Confident	79.1	Confident	61 Å²	61	79.3 Å²	79.3	40%	0.396	41%	0.41	S	S	.	.			trans	-61.2	129	177	-25.9	37	0	0	0	111.5	L157 L182 T218	L157-P220 HydrophobicContact CD1-CG 3.97Å; L157-P220 HydrophobicContact CD2-CG 4.22Å; L182-P220 HydrophobicContact CD1-CB 3.91Å; L182-P220 HydrophobicContact CD1-CG 3.74Å; T218-P220 VanDerWaalsContact O-CD 3.28Å; T218-P220 WeakPolarHBondContact O-CD 3.36Å
221	T	85	Confident	76.4	Confident	57 Å²	57	84.1 Å²	84.1	35%	0.35	44%	0.441	S	S	.	.			trans	-119.5	155.4	170.4	54.6	0	0	0	0	109.7	H183 V219 E223 L245 R247	H183-T221 PolarHBondContact CE1-O 3.41Å; H183-T221 PolarHBondContact CE1-OG1 3.32Å; H183-T221 PolarHBondContact NE2-N 3.16Å; H183-T221 VanDerWaalsContact NE2-N 3.15Å; H183-T221 PolarHBondContact NE2-O 2.72Å; V219-T221 PolarHBondContact O-N 3.24Å; T221-E223 PolarHBondContact OG1-O 2.93Å; T221-L245 WeakPolarHBondContact O-CD1 3.42Å; T221-R247 PolarHBondContact OG1-NH2 2.8Å
222	D	78.1	Confident	73.6	Confident	160 Å²	160	87.9 Å²	87.9	86%	0.856	47%	0.465	S	S	*	.	S	Bend	trans	-91.9	-5	173.9	-68.2	-37	0	0	0	112.5	L245	D222-L245 WeakPolarHBondContact O-CD1 3.38Å
223	E	73.7	Confident	70.7	Confident	161 Å²	161	96 Å²	96	75%	0.752	49%	0.492	S	S	*	.	S	Bend	trans	-97.1	138.4	178.5	-62.2	-178.2	-179.7	0	0	110.6	T221	T221-E223 PolarHBondContact OG1-O 2.93Å
224	E	73.1	Confident	67.8	Low	102 Å²	102	102.3 Å²	102.3	48%	0.477	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-91.3	133.7	175.1	-179.8	161.9	-140.9	0	0	109.8	L245 T246	E224-L245 HydrophobicContact CB-CB 4.3Å; E224-L245 HydrophobicContact CB-CD2 4.19Å; E224-T246 WeakPolarHBondContact OE1-CB 3.35Å; E224-T246 PolarHBondContact OE1-N 2.94Å; E224-T246 PolarHBondContact OE1-OG1 2.87Å
225	D	74.4	Confident	65.2	Low	56 Å²	56	110.5 Å²	110.5	30%	0.299	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-74.4	132.4	179.1	-68.1	-17.6	0	0	0	110.4	M227 T246 R247 T248	D225-M227 PolarHBondContact O-N 3.42Å; D225-T246 PolarHBondContact N-O 3.49Å; D225-R247 WeakPolarHBondContact OD2-CA 3.25Å; D225-T248 HydrophobicContact CB-CG2 3.71Å; D225-T248 PolarHBondContact OD2-N 3.45Å; D225-T248 PolarHBondContact OD2-OG1 3.22Å
226	E	66.4	Low	62.2	Low	188 Å²	188	120.1 Å²	120.1	88%	0.879	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-67.6	118.5	174.1	-66.7	-171.5	173.3	0	0	110.4
227	M	57.6	Low	59.5	Low	105 Å²	105	128.8 Å²	128.8	52%	0.517	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-84.1	122.1	168.8	-72	-168.6	70.6	0	0	110.2	R186 D225 E229 T246 T248	R186-M227 HydrophobicContact CB-CE 4.46Å; R186-M227 HydrophobicContact CB-SD 4.15Å; D225-M227 PolarHBondContact O-N 3.42Å; M227-E229 PolarHBondContact O-N 3.11Å; M227-T246 HydrophobicContact CG-CG2 3.9Å; M227-T246 HydrophobicContact SD-CG2 3.73Å; M227-T248 HydrophobicContact CG-CG2 4.18Å
228	E	46	Very low	56.7	Low	199 Å²	199	135.4 Å²	135.4	93%	0.93	67%	0.669	S	S	*	*			trans	-67.8	97.1	165	-71.3	-168.1	166.1	0	0	109.6	S230	E228-S230 PolarHBondContact O-N 2.93Å
229	E	40.1	Very low	54	Low	154 Å²	154	144.9 Å²	144.9	72%	0.72	71%	0.711	S	S	*	*			trans	-64.6	117.6	170.9	-99.3	-173.1	162.1	0	0	109.7	M227 T231	M227-E229 PolarHBondContact O-N 3.11Å; E229-T231 PolarHBondContact O-N 2.93Å
230	S	34.5	Very low	51.7	Low	118 Å²	118	145.7 Å²	145.7	83%	0.825	72%	0.716	S	S	*	*			trans	-59.7	113.5	164.5	63.4	0	0	0	0	109.6	E228 N232	E228-S230 PolarHBondContact O-N 2.93Å; S230-N232 VanDerWaalsContact C-N 3.32Å; S230-N232 PolarHBondContact O-N 2.84Å
231	T	38.3	Very low	50.1	Low	130 Å²	130	151.7 Å²	151.7	80%	0.798	74%	0.739	S	S	*	*	S	Bend	trans	-69.2	78.2	-179	43.5	0	0	0	0	110.8	E229	E229-T231 PolarHBondContact O-N 2.93Å
232	N	35.7	Very low	49.2	Very low	161 Å²	161	152.9 Å²	152.9	86%	0.861	74%	0.74	S	S	*	*			trans	-177.6	50.5	159.6	-95.5	-23	0	0	0	116.5	S230	S230-N232 VanDerWaalsContact C-N 3.32Å; S230-N232 PolarHBondContact O-N 2.84Å
233	R	34	Very low	49.3	Very low	234 Å²	234	148.9 Å²	148.9	88%	0.883	72%	0.718	S	S	*	*			trans	-136.8	133.2	159.7	-75.9	-170.6	176.2	176.3	-0.6	113.1	R235	R233-R235 PolarHBondContact O-N 2.88Å
234	P	34.2	Very low	49.8	Very low	132 Å²	132	142.3 Å²	142.3	86%	0.857	69%	0.694	S	S	*	*			trans	-70.4	130.7	-177.8	27.7	-31.5	0	0	0	111	K236	P234-K236 PolarHBondContact O-N 3.43Å
235	R	42	Very low	50.5	Low	193 Å²	193	140 Å²	140	73%	0.728	68%	0.684	S	S	*	*			trans	-64.1	110.5	-176.5	-69.4	172.2	170.5	170.1	-4	111.9	R233	R233-R235 PolarHBondContact O-N 2.88Å
236	K	33.4	Very low	51.3	Low	204 Å²	204	137.8 Å²	137.8	89%	0.887	67%	0.673	S	S	*	*			trans	-93.2	99.3	142.2	-93.8	-176.7	176.5	178.5	0	106.8	P234 Q238	P234-K236 PolarHBondContact O-N 3.43Å; K236-Q238 VanDerWaalsContact C-N 3.25Å; K236-Q238 PolarHBondContact O-N 2.89Å
237	K	39.3	Very low	52.4	Low	181 Å²	181	129.2 Å²	129.2	79%	0.787	63%	0.633	S	S	*	*			trans	-65.8	87.7	170	-80.2	-178.2	173.8	-179.6	0	108.5
238	Q	33.6	Very low	54.1	Low	173 Å²	173	126.5 Å²	126.5	81%	0.808	62%	0.622	S	S	*	*			trans	-85.2	102.2	151.6	-144.9	169.6	8.7	0	0	104.4	K236 T240	K236-Q238 VanDerWaalsContact C-N 3.25Å; K236-Q238 PolarHBondContact O-N 2.89Å; Q238-T240 PolarHBondContact O-N 2.8Å; Q238-T240 PolarHBondContact O-OG1 2.89Å
239	K	36.1	Very low	56.3	Low	203 Å²	203	118.5 Å²	118.5	88%	0.883	59%	0.587	S	S	*	*			trans	-73.9	76.3	176.6	-160.2	-174.3	-173.1	-167.9	0	106.2	E241	K239-E241 PolarHBondContact O-N 2.95Å
240	T	43.3	Very low	58.8	Low	88 Å²	88	116.3 Å²	116.3	54%	0.54	58%	0.579	S	S	.	*			trans	-62	121.2	170.6	-17.1	0	0	0	0	105.7	T140 Q238 Q242	T140-T240 HydrophobicContact CG2-CG2 4.41Å; Q238-T240 PolarHBondContact O-N 2.8Å; Q238-T240 PolarHBondContact O-OG1 2.89Å; T240-Q242 VanDerWaalsContact C-N 3.35Å; T240-Q242 PolarHBondContact O-N 3.12Å
241	E	53.6	Low	61.5	Low	187 Å²	187	112.7 Å²	112.7	87%	0.874	55%	0.552	S	S	*	*			trans	-57.8	102.1	173	-70.9	-178.8	161.5	0	0	107.4	K239 L243	K239-E241 PolarHBondContact O-N 2.95Å; E241-L243 PolarHBondContact O-N 3.46Å
242	Q	65.4	Low	64.2	Low	82 Å²	82	109.3 Å²	109.3	38%	0.383	53%	0.532	S	S	.	.			trans	-80.5	122.5	-172.7	176.3	170.3	-36	0	0	109.3	T240 G244 T246	T240-Q242 VanDerWaalsContact C-N 3.35Å; T240-Q242 PolarHBondContact O-N 3.12Å; Q242-G244 PolarHBondContact NE2-O 3.06Å; Q242-T246 PolarHBondContact NE2-OG1 3.4Å
243	L	80.8	Confident	66.9	Low	76 Å²	76	101.9 Å²	101.9	40%	0.398	49%	0.492	S	S	.	.			trans	-89.8	117.5	176.7	-70.8	168	0	0	0	109.6	L168 W170 A181 C184 E241	L168-L243 WeakPolarHBondContact CD2-O 3.23Å; W170-L243 HydrophobicContact CH2-CD1 4.37Å; A181-L243 HydrophobicContact CB-CB 3.74Å; C184-L243 WeakPolarHBondContact CB-O 3.42Å; E241-L243 PolarHBondContact O-N 3.46Å
244	G	83.2	Confident	69.7	Low	23 Å²	23	94.6 Å²	94.6	24%	0.237	48%	0.477	C	S	.	.	S	Bend	trans	83.8	162.6	179.4	0	0	0	0	0	114.5	L182 Q242	L182-G244 CarbonylContact O-C 3.57Å; L182-G244 VanDerWaalsContact O-CA 3.32Å; L182-G244 WeakPolarHBondContact O-CA 3.35Å; Q242-G244 PolarHBondContact NE2-O 3.06Å
245	L	88.7	Confident	72.3	Confident	53 Å²	53	89.9 Å²	89.9	28%	0.277	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.6	178	-61.1	168.3	0	0	0	110.2	L182 H183 C184 T221 D222 E224 R247	L182-L245 PolarHBondContact O-N 3.21Å; H183-L245 CarbonylContact C-O 3.58Å; H183-L245 VanDerWaalsContact CA-O 3.28Å; H183-L245 WeakPolarHBondContact CA-O 3.35Å; C184-L245 PolarHBondContact N-O 3.5Å; T221-L245 WeakPolarHBondContact O-CD1 3.42Å; D222-L245 WeakPolarHBondContact O-CD1 3.38Å; E224-L245 HydrophobicContact CB-CB 4.3Å; E224-L245 HydrophobicContact CB-CD2 4.19Å; L245-R247 PolarHBondContact O-N 3.38Å
246	T	90.3	Very high	74.8	Confident	10 Å²	10	81.3 Å²	81.3	6%	0.061	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.2	176.1	-50.5	0	0	0	0	110.9	C184 R186 E224 D225 M227 Q242	C184-T246 WeakPolarHBondContact O-CA 3.49Å; R186-T246 HydrophobicContact CB-CG2 4.28Å; E224-T246 WeakPolarHBondContact OE1-CB 3.35Å; E224-T246 PolarHBondContact OE1-N 2.94Å; E224-T246 PolarHBondContact OE1-OG1 2.87Å; D225-T246 PolarHBondContact N-O 3.49Å; M227-T246 HydrophobicContact CG-CG2 3.9Å; M227-T246 HydrophobicContact SD-CG2 3.73Å; Q242-T246 PolarHBondContact NE2-OG1 3.4Å
247	R	91	Very high	77.7	Confident	8 Å²	8	78 Å²	78	3%	0.03	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.2	174.2	-178.9	166	-68.9	-169.5	-8.6	110.9	H183 C184 C185 R186 S217 V219 T221 D225 L245	H183-R247 HydrophobicContact CB-CB 4.26Å; H183-R247 PolarHBondContact CD2-NH2 2.93Å; H183-R247 PolarHBondContact CE1-NH2 2.76Å; H183-R247 PolarHBondContact ND1-NE 3.49Å; H183-R247 PolarHBondContact ND1-NH2 2.96Å; H183-R247 PolarHBondContact NE2-NH2 2.92Å; H183-R247 VanDerWaalsContact NE2-NH2 3.19Å; C184-R247 PolarHBondContact O-N 2.8Å; C185-R247 CarbonylContact C-O 3.59Å; C185-R247 WeakPolarHBondContact CA-O 3.42Å; R186-R247 PolarHBondContact N-O 3Å; S217-R247 WeakPolarHBondContact O-CD 3.1Å; S217-R247 PolarHBondContact O-NH1 3.5Å; V219-R247 VanDerWaalsContact O-CZ 3.24Å; V219-R247 PolarHBondContact O-NH1 3.25Å; V219-R247 PolarHBondContact O-NH2 2.88Å; T221-R247 PolarHBondContact OG1-NH2 2.8Å; D225-R247 WeakPolarHBondContact OD2-CA 3.25Å; L245-R247 PolarHBondContact O-N 3.38Å
248	T	92.3	Very high	80.4	Confident	47 Å²	47	74 Å²	74	29%	0.288	39%	0.394	S	S	.	.			trans	-102.6	156.1	-179.9	59.6	0	0	0	0	111.3	D225 M227	D225-T248 HydrophobicContact CB-CG2 3.71Å; D225-T248 PolarHBondContact OD2-N 3.45Å; D225-T248 PolarHBondContact OD2-OG1 3.22Å; M227-T248 HydrophobicContact CG-CG2 4.18Å
249	P	93.5	Very high	83.4	Confident	32 Å²	32	65.9 Å²	65.9	21%	0.208	36%	0.356	C	S	.	.			trans	-73.4	141.1	179.2	30.9	-35.6	0	0	0	111.1	K214 I215 W216	K214-P249 HydrophobicContact CB-CB 3.96Å; K214-P249 HydrophobicContact CD-CB 4.07Å; K214-P249 HydrophobicContact CD-CG 4.05Å; K214-P249 HydrophobicContact CG-CB 4.13Å; K214-P249 HydrophobicContact CG-CG 4.49Å; I215-P249 CarbonylContact O-C 3.6Å; I215-P249 WeakPolarHBondContact O-CA 2.93Å; W216-P249 HydrophobicContact CD2-CB 4.07Å; W216-P249 HydrophobicContact CE3-CB 3.89Å; W216-P249 HydrophobicContact CH2-CB 4.01Å; W216-P249 HydrophobicContact CH2-CG 4.23Å; W216-P249 HydrophobicContact CZ2-CB 4.17Å; W216-P249 HydrophobicContact CZ3-CB 3.87Å; W216-P249 VanDerWaalsContact CZ3-CD 3.48Å; W216-P249 HydrophobicContact CZ3-CG 4.19Å; W216-P249 VanDerWaalsContact CZ3-N 3.33Å
250	I	91.6	Very high	86.3	Confident	108 Å²	108	56.2 Å²	56.2	55%	0.554	31%	0.314	S	S	*	.	S	Bend	trans	-66.5	-46.9	174	-57.9	169.6	0	0	0	110.1	K203 I215	K203-I250 HydrophobicContact CD-CD1 4.36Å; K203-I250 HydrophobicContact CG-CD1 4.32Å; I215-I250 PolarHBondContact O-N 3.44Å
251	V	92.2	Very high	88.8	Confident	41 Å²	41	53 Å²	53	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.8	177.6	60	0	0	0	0	109.8	K214 I215 L253	K214-V251 WeakPolarHBondContact CA-O 3.46Å; I215-V251 HydrophobicContact CB-CG1 3.64Å; I215-V251 HydrophobicContact CD1-CG1 3.5Å; I215-V251 HydrophobicContact CG1-CG1 3.7Å; I215-V251 PolarHBondContact N-O 3.46Å; V251-L253 HydrophobicContact CG2-CD2 3.84Å
252	T	93.9	Very high	90.8	Very high	60 Å²	60	44.7 Å²	44.7	37%	0.368	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.8	171.3	-59.2	0	0	0	0	108.5	M212 L213 K214	M212-T252 HydrophobicContact CB-CG2 4.12Å; M212-T252 HydrophobicContact CG-CG2 4.33Å; M212-T252 HydrophobicContact SD-CG2 4.25Å; L213-T252 CarbonylContact O-C 3.45Å; K214-T252 HydrophobicContact CG-CG2 4.02Å; K214-T252 PolarHBondContact NZ-OG1 3.12Å
253	L	92.8	Very high	92.3	Very high	5 Å²	5	41 Å²	41	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.7	174.8	-54.9	179	0	0	0	108.3	L213 I215 V251 W283 G288	L213-L253 HydrophobicContact CB-CB 4.25Å; L213-L253 HydrophobicContact CD2-CB 4.46Å; L213-L253 HydrophobicContact CD2-CD1 3.81Å; L213-L253 HydrophobicContact CD2-CG 4.39Å; L213-L253 PolarHBondContact N-O 3.31Å; L213-L253 PolarHBondContact O-N 2.8Å; I215-L253 HydrophobicContact CD1-CD1 4.24Å; V251-L253 HydrophobicContact CG2-CD2 3.84Å; L253-W283 HydrophobicContact CB-CD2 4.34Å; L253-W283 HydrophobicContact CB-CE3 3.99Å; L253-W283 HydrophobicContact CB-CZ3 4.09Å; L253-W283 HydrophobicContact CD1-CB 3.78Å; L253-W283 HydrophobicContact CD1-CD2 4.03Å; L253-W283 HydrophobicContact CD1-CE3 4.12Å; L253-W283 HydrophobicContact CD1-CG 3.9Å; L253-W283 HydrophobicContact CG-CE3 4.44Å; L253-G288 WeakPolarHBondContact CD2-O 3.44Å
254	S	91.9	Very high	93.1	Very high	81 Å²	81	38.3 Å²	38.3	57%	0.566	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.6	177.4	66.3	0	0	0	0	109.9	M212	M212-S254 VanDerWaalsContact SD-CB 3.58Å
255	G	89.9	Confident	93.6	Very high	33 Å²	33	38.7 Å²	38.7	34%	0.34	22%	0.221	S	C	.	.			trans	169.4	-28.7	173.4	0	0	0	0	0	114.2	R281	G255-R281 VanDerWaalsContact C-CZ 3.41Å; G255-R281 PolarHBondContact O-NH1 3.37Å; G255-R281 PolarHBondContact O-NH2 2.86Å
256	H	94.1	Very high	93.7	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.056	21%	0.212	C	C	.	.			trans	-61.6	143.3	173.4	-80.1	-66.2	0	0	0	111.1	V260 S273 S275 D277 T279 R281	H256-V260 HydrophobicContact CB-CG2 4.11Å; H256-S273 PolarHBondContact NE2-OG 3.44Å; H256-S275 WeakPolarHBondContact CE1-CB 3.34Å; H256-S275 WeakPolarHBondContact ND1-CB 3.3Å; H256-D277 WeakPolarHBondContact CA-OD2 3.22Å; H256-D277 IonicContact CE1-OD1 3.94Å; H256-D277 IonicContact CG-OD2 3.35Å; H256-D277 IonicContact ND1-OD1 3.29Å; H256-D277 PolarHBondContact ND1-OD1 3.49Å; H256-D277 IonicContact ND1-OD2 3.93Å; H256-D277 PolarHBondContact ND1-OD2 3.13Å; H256-T279 PolarHBondContact CE1-OG1 3.31Å; H256-T279 PolarHBondContact ND1-OG1 2.99Å; H256-R281 VanDerWaalsContact CE1-CD 3.49Å; H256-R281 WeakPolarHBondContact CE1-CD 3.41Å
257	M	94.6	Very high	93.6	Very high	136 Å²	136	41.2 Å²	41.2	67%	0.67	24%	0.235	S	C	*	.	S	Bend	trans	-89.7	-18.8	-179.4	-64.1	-174.5	-178.4	0	0	112.7	K211 D277	K211-M257 VanDerWaalsContact CD-O 3.28Å; K211-M257 WeakPolarHBondContact CD-O 3.42Å; K211-M257 WeakPolarHBondContact CE-O 3.34Å; K211-M257 PolarHBondContact NZ-O 2.88Å; M257-D277 HydrophobicContact CB-CB 3.95Å; M257-D277 PolarHBondContact N-OD2 2.86Å
258	E	96.3	Very high	93.3	Very high	97 Å²	97	43.6 Å²	43.6	45%	0.453	26%	0.257	S	S	.	.	S	Bend	trans	-138	-180	-178.8	-68	-58.6	150.1	0	0	110.7	K211 V260 S275 W276 D277	K211-E258 IonicContact NZ-OE1 2.69Å; E258-V260 PolarHBondContact O-N 3.32Å; E258-S275 PolarHBondContact O-OG 3.04Å; E258-S275 VanDerWaalsContact O-OG 3.07Å; E258-W276 HydrophobicContact CB-CB 3.83Å; E258-D277 HydrophobicContact CB-CB 4.13Å; E258-D277 HydrophobicContact CG-CB 4.38Å
259	A	95.8	Very high	93	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	27%	0.268	C	S	.	.			trans	-49.9	136.5	-177.6	0	0	0	0	0	112.8	W209 S275 W276	W209-A259 HydrophobicContact CB-CB 4.46Å; W209-A259 HydrophobicContact CD2-CB 3.73Å; W209-A259 HydrophobicContact CE3-CB 3.7Å; W209-A259 HydrophobicContact CG-CB 4.1Å; W209-A259 HydrophobicContact CZ3-CB 4.15Å; A259-S275 VanDerWaalsContact O-CA 3.28Å; A259-S275 WeakPolarHBondContact O-CA 3.44Å; A259-S275 WeakPolarHBondContact O-CB 3.24Å; A259-S275 PolarHBondContact O-OG 3.37Å; A259-W276 HydrophobicContact CB-CG 4.37Å; A259-W276 PolarHBondContact O-N 3.47Å
260	V	97.3	Very high	93	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.7	173.8	-176.3	0	0	0	0	107.9	S208 H256 E258 V263 A274	S208-V260 PolarHBondContact O-N 2.89Å; H256-V260 HydrophobicContact CB-CG2 4.11Å; E258-V260 PolarHBondContact O-N 3.32Å; V260-V263 HydrophobicContact CG1-CG1 3.72Å; V260-A274 CarbonylContact C-O 3.46Å; V260-A274 WeakPolarHBondContact CG1-O 3.44Å
261	S	95.9	Very high	93.1	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-28.6	-172.8	71.8	0	0	0	0	113.3	A274 F300 N301	S261-A274 PolarHBondContact N-O 3.48Å; S261-A274 PolarHBondContact OG-O 2.95Å; S261-F300 WeakPolarHBondContact CB-O 2.91Å; S261-F300 PolarHBondContact OG-O 3.06Å; S261-N301 VanDerWaalsContact CB-O 3.3Å; S261-N301 WeakPolarHBondContact CB-O 3.33Å; S261-N301 PolarHBondContact OG-O 2.82Å
262	S	96.3	Very high	93.3	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	139.6	-174.9	-178.7	0	0	0	0	111.2	S273 A274 I303	S262-S273 CarbonylContact O-C 3.31Å; S262-S273 WeakPolarHBondContact O-CA 3.19Å; S262-A274 PolarHBondContact N-O 2.89Å; S262-A274 PolarHBondContact O-N 3Å; S262-I303 WeakPolarHBondContact OG-CG1 3.35Å; S262-I303 PolarHBondContact OG-N 3.36Å
263	V	97	Very high	93.4	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.3	176.7	-61.2	0	0	0	0	110.2	S194 A196 L213 V260 C272	S194-V263 PolarHBondContact OG-N 3.16Å; S194-V263 VanDerWaalsContact OG-N 3.16Å; A196-V263 HydrophobicContact CB-CG2 4.27Å; A196-V263 WeakPolarHBondContact CB-O 3.44Å; L213-V263 HydrophobicContact CD1-CB 4.34Å; L213-V263 HydrophobicContact CD1-CG1 3.49Å; L213-V263 VanDerWaalsContact CD1-CG1 3.49Å; L213-V263 HydrophobicContact CG-CG1 4.1Å; V260-V263 HydrophobicContact CG1-CG1 3.72Å; V263-C272 WeakPolarHBondContact CA-O 3.37Å
264	L	96.2	Very high	93.5	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.9	173.3	63.3	83.6	0	0	0	111.3	I271 C272 I303 Y305 L312	L264-I271 CarbonylContact O-C 3.51Å; L264-I271 WeakPolarHBondContact O-CA 3.42Å; L264-I271 WeakPolarHBondContact O-CG2 3.33Å; L264-C272 HydrophobicContact CD1-CB 3.69Å; L264-C272 HydrophobicContact CG-CB 4.04Å; L264-C272 PolarHBondContact N-O 3.17Å; L264-C272 PolarHBondContact O-N 3.36Å; L264-I303 HydrophobicContact CD2-CB 3.99Å; L264-I303 HydrophobicContact CD2-CD1 3.78Å; L264-I303 HydrophobicContact CD2-CG1 3.72Å; L264-I303 WeakPolarHBondContact CD2-O 3.38Å; L264-I303 HydrophobicContact CG-CD1 3.87Å; L264-I303 HydrophobicContact CG-CG1 4.29Å; L264-Y305 HydrophobicContact CD1-CG 4.42Å; L264-L312 HydrophobicContact CD1-CD2 4.17Å; L264-L312 HydrophobicContact CD2-CD2 4.14Å
265	W	94.6	Very high	93.7	Very high	30 Å²	30	33.6 Å²	33.6	11%	0.114	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	168.9	-65.4	83.1	0	0	0	109.1	A196 V197 D198 K203 C205 I215 A268 I271 V285	A196-W265 PolarHBondContact O-NE1 3.03Å; V197-W265 VanDerWaalsContact C-CD1 3.48Å; V197-W265 VanDerWaalsContact O-CD1 3.3Å; D198-W265 HydrophobicContact CB-CD2 3.74Å; D198-W265 HydrophobicContact CB-CE3 4.01Å; D198-W265 HydrophobicContact CB-CG 4.23Å; D198-W265 HydrophobicContact CB-CH2 4.15Å; D198-W265 HydrophobicContact CB-CZ2 3.9Å; D198-W265 HydrophobicContact CB-CZ3 4.19Å; K203-W265 HydrophobicContact CB-CH2 4.45Å; K203-W265 HydrophobicContact CB-CZ2 4.38Å; C205-W265 HydrophobicContact CB-CZ2 4.19Å; C205-W265 PolarHBondContact SG-NE1 3.43Å; C205-W265 VanDerWaalsContact SG-NE1 3.39Å; I215-W265 HydrophobicContact CG2-CH2 4.39Å; I215-W265 HydrophobicContact CG2-CZ2 4.4Å; W265-A268 WeakPolarHBondContact CZ3-O 3.48Å; W265-I271 HydrophobicContact CD2-CD1 4.36Å; W265-I271 HydrophobicContact CD2-CG1 3.82Å; W265-I271 HydrophobicContact CE3-CD1 4.35Å; W265-I271 HydrophobicContact CE3-CG1 3.74Å; W265-I271 HydrophobicContact CG-CG1 4.48Å; W265-I271 HydrophobicContact CH2-CD1 3.81Å; W265-I271 HydrophobicContact CH2-CG1 4.13Å; W265-I271 HydrophobicContact CZ2-CD1 3.8Å; W265-I271 HydrophobicContact CZ2-CG1 4.18Å; W265-I271 HydrophobicContact CZ3-CD1 4.1Å; W265-I271 HydrophobicContact CZ3-CG1 3.92Å; W265-V285 HydrophobicContact CH2-CG1 4.26Å; W265-V285 HydrophobicContact CH2-CG2 3.99Å; W265-V285 HydrophobicContact CZ3-CB 4.46Å; W265-V285 HydrophobicContact CZ3-CG1 4.41Å; W265-V285 HydrophobicContact CZ3-CG2 3.69Å
266	S	91.2	Very high	94	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-27.2	173.1	50.3	0	0	0	0	112.2	E270 Y305	S266-E270 PolarHBondContact N-O 2.86Å; S266-E270 VanDerWaalsContact OG-CB 3.29Å; S266-E270 WeakPolarHBondContact OG-CB 3.17Å; S266-E270 PolarHBondContact OG-O 3.22Å; S266-Y305 WeakPolarHBondContact O-CE1 3.29Å
267	D	87.9	Confident	94	Very high	105 Å²	105	37.9 Å²	37.9	56%	0.561	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	178.6	172.6	-151.3	-19.3	0	0	0	109.1	E269 E270	D267-E269 PolarHBondContact O-N 2.93Å; D267-E269 VanDerWaalsContact O-N 3.16Å; D267-E270 HydrophobicContact CB-CB 4.05Å; D267-E270 HydrophobicContact CB-CG 4.37Å; D267-E270 PolarHBondContact N-O 3.15Å; D267-E270 PolarHBondContact O-N 3.4Å
268	A	84.1	Confident	93.9	Very high	58 Å²	58	35 Å²	35	48%	0.479	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.3	179.1	0	0	0	0	0	113.6	W265	W265-A268 WeakPolarHBondContact CZ3-O 3.48Å
269	E	86.9	Confident	93.8	Very high	111 Å²	111	31.1 Å²	31.1	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	7.4	-176	-65	173.7	175.4	0	0	112.7	D267 V285	D267-E269 PolarHBondContact O-N 2.93Å; D267-E269 VanDerWaalsContact O-N 3.16Å; E269-V285 WeakPolarHBondContact O-CB 3.34Å; E269-V285 WeakPolarHBondContact O-CG2 3.47Å; E269-V285 PolarHBondContact O-N 3.03Å
270	E	92.2	Very high	93.7	Very high	53 Å²	53	31 Å²	31	25%	0.248	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.4	-180	-66.7	-169	154.8	0	0	111.7	S266 D267 W283 K291	S266-E270 PolarHBondContact N-O 2.86Å; S266-E270 VanDerWaalsContact OG-CB 3.29Å; S266-E270 WeakPolarHBondContact OG-CB 3.17Å; S266-E270 PolarHBondContact OG-O 3.22Å; D267-E270 HydrophobicContact CB-CB 4.05Å; D267-E270 HydrophobicContact CB-CG 4.37Å; D267-E270 PolarHBondContact N-O 3.15Å; D267-E270 PolarHBondContact O-N 3.4Å; E270-W283 WeakPolarHBondContact CA-O 3.48Å; E270-K291 IonicContact OE1-NZ 2.65Å; E270-K291 PolarHBondContact OE1-NZ 3.28Å
271	I	95.1	Very high	93.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.7	176.1	-66.6	171	0	0	0	109	C205 L213 I215 L264 W265 V282 W283 V285	C205-I271 HydrophobicContact CB-CD1 3.69Å; L213-I271 HydrophobicContact CD1-CG2 3.93Å; L213-I271 HydrophobicContact CD2-CD1 4.26Å; L213-I271 HydrophobicContact CD2-CG2 4.28Å; I215-I271 HydrophobicContact CD1-CD1 3.5Å; I215-I271 HydrophobicContact CG1-CD1 3.9Å; L264-I271 CarbonylContact O-C 3.51Å; L264-I271 WeakPolarHBondContact O-CA 3.42Å; L264-I271 WeakPolarHBondContact O-CG2 3.33Å; W265-I271 HydrophobicContact CD2-CD1 4.36Å; W265-I271 HydrophobicContact CD2-CG1 3.82Å; W265-I271 HydrophobicContact CE3-CD1 4.35Å; W265-I271 HydrophobicContact CE3-CG1 3.74Å; W265-I271 HydrophobicContact CG-CG1 4.48Å; W265-I271 HydrophobicContact CH2-CD1 3.81Å; W265-I271 HydrophobicContact CH2-CG1 4.13Å; W265-I271 HydrophobicContact CZ2-CD1 3.8Å; W265-I271 HydrophobicContact CZ2-CG1 4.18Å; W265-I271 HydrophobicContact CZ3-CD1 4.1Å; W265-I271 HydrophobicContact CZ3-CG1 3.92Å; I271-V282 CarbonylContact O-C 3.59Å; I271-V282 WeakPolarHBondContact O-CA 3.32Å; I271-W283 HydrophobicContact CB-CB 4.4Å; I271-W283 PolarHBondContact N-O 2.82Å; I271-W283 PolarHBondContact O-N 3.23Å; I271-V285 HydrophobicContact CB-CG2 4.48Å; I271-V285 HydrophobicContact CD1-CG2 3.46Å; I271-V285 VanDerWaalsContact CD1-CG2 3.46Å; I271-V285 HydrophobicContact CG1-CG2 3.62Å
272	C	95.4	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.1	166.3	-63	0	0	0	0	109.6	V263 L264 R281 I303 L312	V263-C272 WeakPolarHBondContact CA-O 3.37Å; L264-C272 HydrophobicContact CD1-CB 3.69Å; L264-C272 HydrophobicContact CG-CB 4.04Å; L264-C272 PolarHBondContact N-O 3.17Å; L264-C272 PolarHBondContact O-N 3.36Å; C272-R281 CarbonylContact C-O 3.52Å; C272-R281 WeakPolarHBondContact CA-O 3.37Å; C272-I303 HydrophobicContact CB-CD1 3.94Å; C272-L312 HydrophobicContact CB-CD1 4.37Å; C272-L312 HydrophobicContact CB-CD2 4.26Å
273	S	95.9	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.5	175	63.4	0	0	0	0	111.4	L213 H256 S262 I280 R281 W283	L213-S273 VanDerWaalsContact CD1-CB 3.43Å; H256-S273 PolarHBondContact NE2-OG 3.44Å; S262-S273 CarbonylContact O-C 3.31Å; S262-S273 WeakPolarHBondContact O-CA 3.19Å; S273-I280 CarbonylContact O-C 3.48Å; S273-I280 WeakPolarHBondContact O-CA 3.26Å; S273-R281 PolarHBondContact N-O 2.69Å; S273-R281 PolarHBondContact O-N 3.32Å; S273-W283 PolarHBondContact OG-NE1 2.8Å
274	A	95.8	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.1	175.3	0	0	0	0	0	110.2	V260 S261 S262 I280 F300 I303	V260-A274 CarbonylContact C-O 3.46Å; V260-A274 WeakPolarHBondContact CG1-O 3.44Å; S261-A274 PolarHBondContact N-O 3.48Å; S261-A274 PolarHBondContact OG-O 2.95Å; S262-A274 PolarHBondContact N-O 2.89Å; S262-A274 PolarHBondContact O-N 3Å; A274-I280 HydrophobicContact CB-CG1 4.19Å; A274-F300 HydrophobicContact CB-CB 3.81Å; A274-F300 HydrophobicContact CB-CG 4.5Å; A274-I303 HydrophobicContact CB-CB 4.37Å; A274-I303 HydrophobicContact CB-CD1 4.01Å; A274-I303 HydrophobicContact CB-CG1 3.9Å; A274-I303 HydrophobicContact CB-CG2 3.63Å
275	S	96.1	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.6	-173.1	173.1	0	0	0	0	113	H256 E258 A259 D277 H278 T279 F300	H256-S275 WeakPolarHBondContact CE1-CB 3.34Å; H256-S275 WeakPolarHBondContact ND1-CB 3.3Å; E258-S275 PolarHBondContact O-OG 3.04Å; E258-S275 VanDerWaalsContact O-OG 3.07Å; A259-S275 VanDerWaalsContact O-CA 3.28Å; A259-S275 WeakPolarHBondContact O-CA 3.44Å; A259-S275 WeakPolarHBondContact O-CB 3.24Å; A259-S275 PolarHBondContact O-OG 3.37Å; S275-D277 VanDerWaalsContact CB-OD1 3.25Å; S275-D277 WeakPolarHBondContact CB-OD1 3.31Å; S275-D277 PolarHBondContact O-N 3.16Å; S275-D277 PolarHBondContact OG-N 2.8Å; S275-D277 PolarHBondContact OG-OD1 3.06Å; S275-H278 PolarHBondContact O-N 3.43Å; S275-T279 PolarHBondContact N-O 3.41Å; S275-T279 VanDerWaalsContact N-O 3.16Å; S275-F300 PolarHBondContact O-N 3.17Å
276	W	95.6	Very high	92.5	Very high	109 Å²	109	38.2 Å²	38.2	41%	0.413	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-6.6	170.4	-72.5	34.1	0	0	0	113.3	W209 E258 A259 H278 V299	W209-W276 HydrophobicContact CH2-CE3 4.22Å; W209-W276 AromaticContact CH2-CH2 3.62Å; W209-W276 HydrophobicContact CH2-CH2 3.62Å; W209-W276 AromaticContact CH2-CZ2 3.99Å; W209-W276 HydrophobicContact CH2-CZ2 3.99Å; W209-W276 AromaticContact CH2-CZ3 3.74Å; W209-W276 HydrophobicContact CH2-CZ3 3.74Å; W209-W276 HydrophobicContact CZ2-CZ3 4.42Å; W209-W276 HydrophobicContact CZ3-CH2 4.18Å; W209-W276 HydrophobicContact CZ3-CZ2 4.08Å; E258-W276 HydrophobicContact CB-CB 3.83Å; A259-W276 HydrophobicContact CB-CG 4.37Å; A259-W276 PolarHBondContact O-N 3.47Å; W276-H278 PolarHBondContact O-CD2 3Å; W276-H278 VanDerWaalsContact O-CD2 3.28Å; W276-H278 PolarHBondContact O-N 2.68Å; W276-V299 HydrophobicContact CB-CG1 4.07Å; W276-V299 HydrophobicContact CB-CG2 4.34Å; W276-V299 VanDerWaalsContact CD1-CG1 3.45Å; W276-V299 HydrophobicContact CD2-CG1 3.86Å; W276-V299 HydrophobicContact CG-CG1 3.54Å
277	D	94.1	Very high	92.3	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	9.4	170.6	71.4	2.6	0	0	0	113.4	H256 M257 E258 S275 T279 R281	H256-D277 WeakPolarHBondContact CA-OD2 3.22Å; H256-D277 IonicContact CE1-OD1 3.94Å; H256-D277 IonicContact CG-OD2 3.35Å; H256-D277 IonicContact ND1-OD1 3.29Å; H256-D277 PolarHBondContact ND1-OD1 3.49Å; H256-D277 IonicContact ND1-OD2 3.93Å; H256-D277 PolarHBondContact ND1-OD2 3.13Å; M257-D277 HydrophobicContact CB-CB 3.95Å; M257-D277 PolarHBondContact N-OD2 2.86Å; E258-D277 HydrophobicContact CB-CB 4.13Å; E258-D277 HydrophobicContact CG-CB 4.38Å; S275-D277 VanDerWaalsContact CB-OD1 3.25Å; S275-D277 WeakPolarHBondContact CB-OD1 3.31Å; S275-D277 PolarHBondContact O-N 3.16Å; S275-D277 PolarHBondContact OG-N 2.8Å; S275-D277 PolarHBondContact OG-OD1 3.06Å; D277-T279 PolarHBondContact O-N 3.25Å; D277-T279 WeakPolarHBondContact OD1-CA 3.4Å; D277-T279 VanDerWaalsContact OD1-CB 3.31Å; D277-T279 WeakPolarHBondContact OD1-CB 3.48Å; D277-T279 PolarHBondContact OD1-N 3.25Å; D277-T279 PolarHBondContact OD1-OG1 3.36Å; D277-T279 PolarHBondContact OD2-OG1 3.26Å; D277-R281 IonicContact OD2-NH2 3.6Å; D277-R281 PolarHBondContact OD2-NH2 3.15Å
278	H	93.2	Very high	92.2	Very high	75 Å²	75	37.3 Å²	37.3	35%	0.347	20%	0.198	S	C	.	.	S	Bend	trans	65.2	20.9	-177.3	-48.3	174	0	0	0	113.5	S275 W276 G296 V299 F300	S275-H278 PolarHBondContact O-N 3.43Å; W276-H278 PolarHBondContact O-CD2 3Å; W276-H278 VanDerWaalsContact O-CD2 3.28Å; W276-H278 PolarHBondContact O-N 2.68Å; H278-G296 WeakPolarHBondContact CB-O 3.38Å; H278-G296 PolarHBondContact O-N 2.92Å; H278-V299 PolarHBondContact CD2-N 3.48Å; H278-V299 PolarHBondContact NE2-N 2.71Å; H278-F300 WeakPolarHBondContact O-CE2 3.38Å
279	T	93.1	Very high	92.5	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.3	177.5	74.4	0	0	0	0	112.4	H256 S275 D277 R281 T293 L294 T295	H256-T279 PolarHBondContact CE1-OG1 3.31Å; H256-T279 PolarHBondContact ND1-OG1 2.99Å; S275-T279 PolarHBondContact N-O 3.41Å; S275-T279 VanDerWaalsContact N-O 3.16Å; D277-T279 PolarHBondContact O-N 3.25Å; D277-T279 WeakPolarHBondContact OD1-CA 3.4Å; D277-T279 VanDerWaalsContact OD1-CB 3.31Å; D277-T279 WeakPolarHBondContact OD1-CB 3.48Å; D277-T279 PolarHBondContact OD1-N 3.25Å; D277-T279 PolarHBondContact OD1-OG1 3.36Å; D277-T279 PolarHBondContact OD2-OG1 3.26Å; T279-R281 PolarHBondContact OG1-NE 3.33Å; T279-T293 HydrophobicContact CG2-CG2 3.93Å; T279-L294 CarbonylContact C-O 3.52Å; T279-L294 WeakPolarHBondContact CA-O 3.42Å; T279-T295 HydrophobicContact CG2-CG2 4.24Å
280	I	94.3	Very high	92.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.8	159.6	-58.6	166.9	0	0	0	106.5	S273 A274 L294 F300 I303 L312 W324	S273-I280 CarbonylContact O-C 3.48Å; S273-I280 WeakPolarHBondContact O-CA 3.26Å; A274-I280 HydrophobicContact CB-CG1 4.19Å; I280-L294 HydrophobicContact CB-CB 4.18Å; I280-L294 HydrophobicContact CB-CD1 4.34Å; I280-L294 HydrophobicContact CG2-CD1 4.32Å; I280-L294 PolarHBondContact N-O 3.38Å; I280-L294 PolarHBondContact O-N 3.16Å; I280-F300 HydrophobicContact CD1-CD1 4.21Å; I280-F300 HydrophobicContact CD1-CD2 4.39Å; I280-F300 HydrophobicContact CD1-CE1 3.93Å; I280-F300 HydrophobicContact CD1-CE2 4.11Å; I280-F300 HydrophobicContact CD1-CG 4.43Å; I280-F300 HydrophobicContact CD1-CZ 3.87Å; I280-F300 HydrophobicContact CG1-CD1 4.42Å; I280-F300 HydrophobicContact CG1-CD2 3.8Å; I280-F300 HydrophobicContact CG1-CE1 4.38Å; I280-F300 HydrophobicContact CG1-CE2 3.74Å; I280-F300 HydrophobicContact CG1-CG 4.15Å; I280-F300 HydrophobicContact CG1-CZ 4.04Å; I280-I303 HydrophobicContact CD1-CG2 3.87Å; I280-I303 HydrophobicContact CG1-CG2 4.2Å; I280-L312 HydrophobicContact CG2-CD1 4.27Å; I280-W324 HydrophobicContact CD1-CD2 4.44Å; I280-W324 HydrophobicContact CD1-CG 4.39Å
281	R	93.7	Very high	92.7	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.6	-177.6	-70.7	-174.7	-171	-154.7	12.3	110.4	G255 H256 C272 S273 D277 T279 W283 L290 T293	G255-R281 VanDerWaalsContact C-CZ 3.41Å; G255-R281 PolarHBondContact O-NH1 3.37Å; G255-R281 PolarHBondContact O-NH2 2.86Å; H256-R281 VanDerWaalsContact CE1-CD 3.49Å; H256-R281 WeakPolarHBondContact CE1-CD 3.41Å; C272-R281 CarbonylContact C-O 3.52Å; C272-R281 WeakPolarHBondContact CA-O 3.37Å; S273-R281 PolarHBondContact N-O 2.69Å; S273-R281 PolarHBondContact O-N 3.32Å; D277-R281 IonicContact OD2-NH2 3.6Å; D277-R281 PolarHBondContact OD2-NH2 3.15Å; T279-R281 PolarHBondContact OG1-NE 3.33Å; R281-W283 HydrophobicContact CB-CZ2 3.94Å; R281-W283 HydrophobicContact CG-CZ2 4.42Å; R281-L290 HydrophobicContact CB-CD1 3.59Å; R281-L290 HydrophobicContact CG-CD1 3.8Å; R281-T293 HydrophobicContact CG-CG2 4.21Å
282	V	94	Very high	92.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.8	172.8	-173.4	0	0	0	0	107.7	I271 K291 S292 P326	I271-V282 CarbonylContact O-C 3.59Å; I271-V282 WeakPolarHBondContact O-CA 3.32Å; V282-K291 HydrophobicContact CB-CB 4.47Å; V282-K291 HydrophobicContact CG1-CB 4.42Å; V282-K291 WeakPolarHBondContact O-CB 3.37Å; V282-K291 PolarHBondContact O-N 3.35Å; V282-S292 WeakPolarHBondContact CB-OG 3.07Å; V282-S292 VanDerWaalsContact CG2-OG 3.29Å; V282-S292 WeakPolarHBondContact CG2-OG 3.32Å; V282-S292 PolarHBondContact N-O 2.83Å; V282-S292 PolarHBondContact O-N 2.84Å; V282-P326 HydrophobicContact CG2-CB 3.95Å
283	W	94.1	Very high	92.1	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.3	-176.6	-52.4	86.6	0	0	0	109.8	L253 E270 I271 S273 R281 L290	L253-W283 HydrophobicContact CB-CD2 4.34Å; L253-W283 HydrophobicContact CB-CE3 3.99Å; L253-W283 HydrophobicContact CB-CZ3 4.09Å; L253-W283 HydrophobicContact CD1-CB 3.78Å; L253-W283 HydrophobicContact CD1-CD2 4.03Å; L253-W283 HydrophobicContact CD1-CE3 4.12Å; L253-W283 HydrophobicContact CD1-CG 3.9Å; L253-W283 HydrophobicContact CG-CE3 4.44Å; E270-W283 WeakPolarHBondContact CA-O 3.48Å; I271-W283 HydrophobicContact CB-CB 4.4Å; I271-W283 PolarHBondContact N-O 2.82Å; I271-W283 PolarHBondContact O-N 3.23Å; S273-W283 PolarHBondContact OG-NE1 2.8Å; R281-W283 HydrophobicContact CB-CZ2 3.94Å; R281-W283 HydrophobicContact CG-CZ2 4.42Å; W283-L290 HydrophobicContact CD2-CD1 4.19Å; W283-L290 HydrophobicContact CE3-CB 4.18Å; W283-L290 HydrophobicContact CE3-CD1 4.19Å; W283-L290 HydrophobicContact CH2-CD1 4.3Å; W283-L290 HydrophobicContact CZ2-CD1 4.28Å; W283-L290 HydrophobicContact CZ3-CB 4.07Å; W283-L290 HydrophobicContact CZ3-CD1 4.24Å
284	D	92.8	Very high	91.8	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.134	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122	166.4	177.4	0.5	0	0	0	108.9	E286 S287 G288 S289 K291	D284-E286 PolarHBondContact OD1-N 3.27Å; D284-S287 VanDerWaalsContact CB-OG 3.3Å; D284-S287 WeakPolarHBondContact CB-OG 3.31Å; D284-S287 PolarHBondContact OD2-OG 2.6Å; D284-G288 VanDerWaalsContact O-CA 3.26Å; D284-G288 WeakPolarHBondContact O-CA 3.26Å; D284-G288 PolarHBondContact O-N 3.09Å; D284-S289 PolarHBondContact N-O 3Å; D284-S289 PolarHBondContact O-N 2.92Å; D284-K291 HydrophobicContact CB-CD 3.84Å; D284-K291 HydrophobicContact CB-CG 3.86Å
285	V	89.5	Confident	91.5	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-32.2	-175.7	174.8	0	0	0	0	111.8	I215 W265 E269 I271	I215-V285 HydrophobicContact CD1-CB 4.2Å; I215-V285 HydrophobicContact CD1-CG1 3.62Å; I215-V285 HydrophobicContact CD1-CG2 3.8Å; W265-V285 HydrophobicContact CH2-CG1 4.26Å; W265-V285 HydrophobicContact CH2-CG2 3.99Å; W265-V285 HydrophobicContact CZ3-CB 4.46Å; W265-V285 HydrophobicContact CZ3-CG1 4.41Å; W265-V285 HydrophobicContact CZ3-CG2 3.69Å; E269-V285 WeakPolarHBondContact O-CB 3.34Å; E269-V285 WeakPolarHBondContact O-CG2 3.47Å; E269-V285 PolarHBondContact O-N 3.03Å; I271-V285 HydrophobicContact CB-CG2 4.48Å; I271-V285 HydrophobicContact CD1-CG2 3.46Å; I271-V285 VanDerWaalsContact CD1-CG2 3.46Å; I271-V285 HydrophobicContact CG1-CG2 3.62Å
286	E	87.3	Confident	91.1	Very high	158 Å²	158	45.2 Å²	45.2	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-46.6	-178.9	-170.8	-177.6	-168.4	0	0	110.7	D284	D284-E286 PolarHBondContact OD1-N 3.27Å
287	S	87.5	Confident	90.6	Very high	68 Å²	68	47 Å²	47	48%	0.476	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.2	179	64.2	0	0	0	0	113.9	D284 S289	D284-S287 VanDerWaalsContact CB-OG 3.3Å; D284-S287 WeakPolarHBondContact CB-OG 3.31Å; D284-S287 PolarHBondContact OD2-OG 2.6Å; S287-S289 PolarHBondContact O-N 3.45Å; S287-S289 PolarHBondContact OG-OG 3.18Å
288	G	86.6	Confident	90.4	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	22.6	-173	0	0	0	0	0	113.2	L253 D284	L253-G288 WeakPolarHBondContact CD2-O 3.44Å; D284-G288 VanDerWaalsContact O-CA 3.26Å; D284-G288 WeakPolarHBondContact O-CA 3.26Å; D284-G288 PolarHBondContact O-N 3.09Å
289	S	89.9	Confident	90.4	Very high	55 Å²	55	47.4 Å²	47.4	39%	0.385	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157	-171.5	77.1	0	0	0	0	112.6	D284 S287	D284-S289 PolarHBondContact N-O 3Å; D284-S289 PolarHBondContact O-N 2.92Å; S287-S289 PolarHBondContact O-N 3.45Å; S287-S289 PolarHBondContact OG-OG 3.18Å
290	L	91.6	Very high	90.5	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.356	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.4	176.6	-179.8	64.3	0	0	0	109.9	R281 W283 S292 T293	R281-L290 HydrophobicContact CB-CD1 3.59Å; R281-L290 HydrophobicContact CG-CD1 3.8Å; W283-L290 HydrophobicContact CD2-CD1 4.19Å; W283-L290 HydrophobicContact CE3-CB 4.18Å; W283-L290 HydrophobicContact CE3-CD1 4.19Å; W283-L290 HydrophobicContact CH2-CD1 4.3Å; W283-L290 HydrophobicContact CZ2-CD1 4.28Å; W283-L290 HydrophobicContact CZ3-CB 4.07Å; W283-L290 HydrophobicContact CZ3-CD1 4.24Å; L290-S292 WeakPolarHBondContact CD1-O 3.45Å; L290-T293 WeakPolarHBondContact CD2-OG1 3.31Å
291	K	90.3	Very high	90.6	Very high	100 Å²	100	48.1 Å²	48.1	44%	0.435	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-49.4	178.4	-83.8	-178.5	152.3	166.4	0	112.7	E270 V282 D284	E270-K291 IonicContact OE1-NZ 2.65Å; E270-K291 PolarHBondContact OE1-NZ 3.28Å; V282-K291 HydrophobicContact CB-CB 4.47Å; V282-K291 HydrophobicContact CG1-CB 4.42Å; V282-K291 WeakPolarHBondContact O-CB 3.37Å; V282-K291 PolarHBondContact O-N 3.35Å; D284-K291 HydrophobicContact CB-CD 3.84Å; D284-K291 HydrophobicContact CB-CG 3.86Å
292	S	89.1	Confident	90.6	Very high	18 Å²	18	47.3 Å²	47.3	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.5	-177.9	66.3	0	0	0	0	111.4	V282 L290 P326	V282-S292 WeakPolarHBondContact CB-OG 3.07Å; V282-S292 VanDerWaalsContact CG2-OG 3.29Å; V282-S292 WeakPolarHBondContact CG2-OG 3.32Å; V282-S292 PolarHBondContact N-O 2.83Å; V282-S292 PolarHBondContact O-N 2.84Å; L290-S292 WeakPolarHBondContact CD1-O 3.45Å; S292-P326 PolarHBondContact OG-O 2.88Å
293	T	90.6	Very high	90.7	Very high	49 Å²	49	47.6 Å²	47.6	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.3	175	-58.6	0	0	0	0	108.2	T279 R281 L290 T295	T279-T293 HydrophobicContact CG2-CG2 3.93Å; R281-T293 HydrophobicContact CG-CG2 4.21Å; L290-T293 WeakPolarHBondContact CD2-OG1 3.31Å; T293-T295 HydrophobicContact CG2-CG2 4.12Å
294	L	89.7	Confident	90.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.2	172.6	-51.5	173.6	0	0	0	107.2	T279 I280 L312 W324	T279-L294 CarbonylContact C-O 3.52Å; T279-L294 WeakPolarHBondContact CA-O 3.42Å; I280-L294 HydrophobicContact CB-CB 4.18Å; I280-L294 HydrophobicContact CB-CD1 4.34Å; I280-L294 HydrophobicContact CG2-CD1 4.32Å; I280-L294 PolarHBondContact N-O 3.38Å; I280-L294 PolarHBondContact O-N 3.16Å; L294-L312 HydrophobicContact CD1-CD1 4.44Å; L294-W324 HydrophobicContact CB-CE3 4.24Å; L294-W324 HydrophobicContact CB-CZ3 4.5Å; L294-W324 HydrophobicContact CD1-CB 3.95Å; L294-W324 HydrophobicContact CD1-CE3 4.43Å; L294-W324 HydrophobicContact CD1-CG 4.38Å
295	T	89.3	Confident	90.9	Very high	81 Å²	81	48.4 Å²	48.4	50%	0.497	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.8	-176.1	53.2	0	0	0	0	110	T279 T293 G331	T279-T295 HydrophobicContact CG2-CG2 4.24Å; T293-T295 HydrophobicContact CG2-CG2 4.12Å; T295-G331 PolarHBondContact N-O 3.05Å; T295-G331 PolarHBondContact OG1-O 3.12Å
296	G	86.1	Confident	91	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-100.3	173.4	172.3	0	0	0	0	0	112.5	H278	H278-G296 WeakPolarHBondContact CB-O 3.38Å; H278-G296 PolarHBondContact O-N 2.92Å
297	N	86.4	Confident	91.1	Very high	146 Å²	146	44.3 Å²	44.3	78%	0.781	26%	0.258	S	S	*	.	S	Bend	trans	-90.4	-9.3	177.1	-68.8	-26.6	0	0	0	113.4
298	K	90.1	Very high	91.1	Very high	86 Å²	86	44.8 Å²	44.8	37%	0.374	26%	0.255	S	S	.	.	S	Bend	trans	-143.7	161.4	-172.7	-71.7	-174.7	178.1	-111.2	0	111.4	F300 D318	K298-F300 PolarHBondContact O-N 2.88Å; K298-D318 HydrophobicContact CD-CB 3.53Å; K298-D318 WeakPolarHBondContact CD-OD2 3.37Å
299	V	93.4	Very high	91.2	Very high	23 Å²	23	44.5 Å²	44.5	14%	0.139	25%	0.248	C	C	.	.			trans	-53.9	130.8	170.7	169.9	0	0	0	0	110.1	W276 H278 S316 T317	W276-V299 HydrophobicContact CB-CG1 4.07Å; W276-V299 HydrophobicContact CB-CG2 4.34Å; W276-V299 VanDerWaalsContact CD1-CG1 3.45Å; W276-V299 HydrophobicContact CD2-CG1 3.86Å; W276-V299 HydrophobicContact CG-CG1 3.54Å; H278-V299 PolarHBondContact CD2-N 3.48Å; H278-V299 PolarHBondContact NE2-N 2.71Å; V299-S316 CarbonylContact O-C 3.54Å; V299-S316 WeakPolarHBondContact O-CA 3.46Å; V299-S316 VanDerWaalsContact O-CB 3.29Å; V299-S316 WeakPolarHBondContact O-CB 3.25Å; V299-T317 HydrophobicContact CB-CG2 3.67Å; V299-T317 HydrophobicContact CG1-CG2 3.72Å; V299-T317 PolarHBondContact O-N 2.87Å
300	F	94.9	Very high	91.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.2	170.1	-66	-70.4	0	0	0	110.1	S261 A274 S275 H278 I280 K298 S314 S316 W324	S261-F300 WeakPolarHBondContact CB-O 2.91Å; S261-F300 PolarHBondContact OG-O 3.06Å; A274-F300 HydrophobicContact CB-CB 3.81Å; A274-F300 HydrophobicContact CB-CG 4.5Å; S275-F300 PolarHBondContact O-N 3.17Å; H278-F300 WeakPolarHBondContact O-CE2 3.38Å; I280-F300 HydrophobicContact CD1-CD1 4.21Å; I280-F300 HydrophobicContact CD1-CD2 4.39Å; I280-F300 HydrophobicContact CD1-CE1 3.93Å; I280-F300 HydrophobicContact CD1-CE2 4.11Å; I280-F300 HydrophobicContact CD1-CG 4.43Å; I280-F300 HydrophobicContact CD1-CZ 3.87Å; I280-F300 HydrophobicContact CG1-CD1 4.42Å; I280-F300 HydrophobicContact CG1-CD2 3.8Å; I280-F300 HydrophobicContact CG1-CE1 4.38Å; I280-F300 HydrophobicContact CG1-CE2 3.74Å; I280-F300 HydrophobicContact CG1-CG 4.15Å; I280-F300 HydrophobicContact CG1-CZ 4.04Å; K298-F300 PolarHBondContact O-N 2.88Å; F300-S314 WeakPolarHBondContact CE1-OG 3.44Å; F300-S316 VanDerWaalsContact CD1-OG 3.32Å; F300-S316 WeakPolarHBondContact CD1-OG 3.28Å; F300-S316 WeakPolarHBondContact CE1-OG 3.21Å; F300-W324 AromaticContact CE1-CZ2 3.83Å; F300-W324 HydrophobicContact CE1-CZ2 3.83Å; F300-W324 HydrophobicContact CZ-CH2 4.16Å; F300-W324 AromaticContact CZ-CZ2 3.58Å; F300-W324 HydrophobicContact CZ-CZ2 3.58Å
301	N	94.8	Very high	91.1	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-47.3	175.2	-66.7	-29.4	0	0	0	110.2	S261 G315 S316 V345	S261-N301 VanDerWaalsContact CB-O 3.3Å; S261-N301 WeakPolarHBondContact CB-O 3.33Å; S261-N301 PolarHBondContact OG-O 2.82Å; N301-G315 PolarHBondContact N-O 2.88Å; N301-S316 PolarHBondContact ND2-O 2.94Å; N301-V345 WeakPolarHBondContact CB-O 3.39Å; N301-V345 PolarHBondContact ND2-O 3.02Å
302	C	94.9	Very high	91.2	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.6	-173.8	57.4	0	0	0	0	111.7	S314 G315 T346 S347 V348	C302-S314 CarbonylContact O-C 3.6Å; C302-S314 WeakPolarHBondContact O-CA 3.44Å; C302-G315 PolarHBondContact N-O 3.31Å; C302-G315 PolarHBondContact O-N 3.46Å; C302-T346 VanDerWaalsContact CB-O 3.31Å; C302-T346 WeakPolarHBondContact CB-O 3.39Å; C302-T346 VanDerWaalsContact SG-C 3.52Å; C302-T346 PolarHBondContact SG-O 2.71Å; C302-S347 VanDerWaalsContact SG-C 3.57Å; C302-S347 WeakPolarHBondContact SG-CA 3.48Å; C302-V348 HydrophobicContact CB-CG1 4.38Å
303	I	96.1	Very high	91.4	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.7	169.4	46.6	166.7	0	0	0	110.3	S262 L264 C272 A274 I280 A313	S262-I303 WeakPolarHBondContact OG-CG1 3.35Å; S262-I303 PolarHBondContact OG-N 3.36Å; L264-I303 HydrophobicContact CD2-CB 3.99Å; L264-I303 HydrophobicContact CD2-CD1 3.78Å; L264-I303 HydrophobicContact CD2-CG1 3.72Å; L264-I303 WeakPolarHBondContact CD2-O 3.38Å; L264-I303 HydrophobicContact CG-CD1 3.87Å; L264-I303 HydrophobicContact CG-CG1 4.29Å; C272-I303 HydrophobicContact CB-CD1 3.94Å; A274-I303 HydrophobicContact CB-CB 4.37Å; A274-I303 HydrophobicContact CB-CD1 4.01Å; A274-I303 HydrophobicContact CB-CG1 3.9Å; A274-I303 HydrophobicContact CB-CG2 3.63Å; I280-I303 HydrophobicContact CD1-CG2 3.87Å; I280-I303 HydrophobicContact CG1-CG2 4.2Å; I303-A313 CarbonylContact C-O 3.59Å; I303-A313 VanDerWaalsContact CA-O 3.26Å; I303-A313 WeakPolarHBondContact CA-O 3.2Å
304	S	96.1	Very high	91.6	Very high	8 Å²	8	39.5 Å²	39.5	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.4	168.4	-175.5	0	0	0	0	109.3	L312 A313 V348 W350	S304-L312 CarbonylContact O-C 3.57Å; S304-L312 WeakPolarHBondContact O-CA 3.49Å; S304-A313 PolarHBondContact N-O 2.84Å; S304-A313 PolarHBondContact O-N 3.08Å; S304-V348 WeakPolarHBondContact CB-O 3.32Å; S304-W350 VanDerWaalsContact C-CD1 3.49Å; S304-W350 PolarHBondContact O-NE1 2.92Å; S304-W350 VanDerWaalsContact O-NE1 3.12Å; S304-W350 PolarHBondContact OG-N 2.77Å
305	Y	94.4	Very high	91.8	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.153	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.3	174.1	-178.6	-109.9	0	0	0	110.5	L264 S266 P307 L312 P326 W350	L264-Y305 HydrophobicContact CD1-CG 4.42Å; S266-Y305 WeakPolarHBondContact O-CE1 3.29Å; Y305-P307 HydrophobicContact CE1-CB 4.31Å; Y305-L312 HydrophobicContact CD2-CD2 3.83Å; Y305-L312 HydrophobicContact CD2-CG 4.07Å; Y305-L312 HydrophobicContact CG-CD2 4.24Å; Y305-P326 HydrophobicContact CE2-CG 4.32Å; Y305-W350 VanDerWaalsContact C-CD1 3.46Å
306	S	92.7	Very high	91.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.1	167.9	174.3	0	0	0	0	109.4	L308 C309 K310 R311	S306-L308 PolarHBondContact O-N 2.84Å; S306-L308 PolarHBondContact OG-N 2.86Å; S306-C309 WeakPolarHBondContact CB-SG 3.36Å; S306-C309 PolarHBondContact OG-N 2.84Å; S306-C309 PolarHBondContact OG-SG 2.81Å; S306-K310 WeakPolarHBondContact O-CA 3.33Å; S306-K310 PolarHBondContact O-N 2.8Å; S306-R311 PolarHBondContact N-O 2.89Å
307	P	88.6	Confident	92.1	Very high	92 Å²	92	36.3 Å²	36.3	60%	0.597	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.5	174.3	29.7	-34.5	0	0	0	112.3	Y305	Y305-P307 HydrophobicContact CE1-CB 4.31Å
308	L	88.3	Confident	92.3	Very high	78 Å²	78	30 Å²	30	41%	0.408	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-56.8	-178.3	-58.8	176.4	0	0	0	111.2	S306 E355	S306-L308 PolarHBondContact O-N 2.84Å; S306-L308 PolarHBondContact OG-N 2.86Å; L308-E355 HydrophobicContact CB-CB 3.85Å; L308-E355 HydrophobicContact CB-CG 3.88Å; L308-E355 HydrophobicContact CD1-CB 4.3Å
309	C	86.9	Confident	92.3	Very high	24 Å²	24	32.1 Å²	32.1	16%	0.162	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.1	178.7	55.6	0	0	0	0	113.7	S306 R311 E355	S306-C309 WeakPolarHBondContact CB-SG 3.36Å; S306-C309 PolarHBondContact OG-N 2.84Å; S306-C309 PolarHBondContact OG-SG 2.81Å; C309-R311 HydrophobicContact CB-CG 4.19Å; C309-R311 PolarHBondContact O-N 3.03Å; C309-E355 WeakPolarHBondContact CA-OE1 3.28Å; C309-E355 HydrophobicContact CB-CG 3.47Å; C309-E355 VanDerWaalsContact CB-CG 3.47Å; C309-E355 WeakPolarHBondContact CB-OE1 3.36Å; C309-E355 PolarHBondContact SG-O 2.93Å; C309-E355 VanDerWaalsContact SG-O 3.37Å
310	K	89.1	Confident	92.2	Very high	99 Å²	99	33.2 Å²	33.2	43%	0.43	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	34.3	-176.1	-60.7	166.9	174.4	171.5	0	112.8	S306	S306-K310 WeakPolarHBondContact O-CA 3.33Å; S306-K310 PolarHBondContact O-N 2.8Å
311	R	90.3	Very high	92.1	Very high	87 Å²	87	33.1 Å²	33.1	33%	0.328	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149	179	-61.9	-172.5	-178.2	-162.5	-0.2	111.7	S306 C309 W350	S306-R311 PolarHBondContact N-O 2.89Å; C309-R311 HydrophobicContact CB-CG 4.19Å; C309-R311 PolarHBondContact O-N 3.03Å; R311-W350 HydrophobicContact CB-CZ2 4.11Å
312	L	92.8	Very high	92	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.7	168.3	-72.3	167.3	0	0	0	109.5	L264 C272 I280 L294 S304 Y305 L323 W324 P326	L264-L312 HydrophobicContact CD1-CD2 4.17Å; L264-L312 HydrophobicContact CD2-CD2 4.14Å; C272-L312 HydrophobicContact CB-CD1 4.37Å; C272-L312 HydrophobicContact CB-CD2 4.26Å; I280-L312 HydrophobicContact CG2-CD1 4.27Å; L294-L312 HydrophobicContact CD1-CD1 4.44Å; S304-L312 CarbonylContact O-C 3.57Å; S304-L312 WeakPolarHBondContact O-CA 3.49Å; Y305-L312 HydrophobicContact CD2-CD2 3.83Å; Y305-L312 HydrophobicContact CD2-CG 4.07Å; Y305-L312 HydrophobicContact CG-CD2 4.24Å; L312-L323 CarbonylContact O-C 3.56Å; L312-L323 VanDerWaalsContact O-CA 3.31Å; L312-L323 WeakPolarHBondContact O-CA 3.29Å; L312-W324 HydrophobicContact CB-CB 4.17Å; L312-W324 PolarHBondContact N-O 3.32Å; L312-W324 PolarHBondContact O-N 3.21Å; L312-P326 HydrophobicContact CD1-CB 3.83Å; L312-P326 HydrophobicContact CD1-CG 4.15Å; L312-P326 HydrophobicContact CG-CG 4.34Å
313	A	94.3	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.3	164.6	0	0	0	0	0	108.2	I303 S304 I321 R322 L323 V348 W350 L358	I303-A313 CarbonylContact C-O 3.59Å; I303-A313 VanDerWaalsContact CA-O 3.26Å; I303-A313 WeakPolarHBondContact CA-O 3.2Å; S304-A313 PolarHBondContact N-O 2.84Å; S304-A313 PolarHBondContact O-N 3.08Å; A313-I321 HydrophobicContact CB-CG2 4.25Å; A313-R322 CarbonylContact C-O 3.51Å; A313-R322 WeakPolarHBondContact CA-O 3.28Å; A313-L323 HydrophobicContact CB-CD2 3.71Å; A313-V348 HydrophobicContact CB-CG1 4.47Å; A313-V348 HydrophobicContact CB-CG2 3.85Å; A313-W350 HydrophobicContact CB-CZ2 4.09Å; A313-L358 HydrophobicContact CB-CD2 4.13Å
314	S	94.1	Very high	91.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.9	177.2	72.3	0	0	0	0	111.6	F300 C302 I321 R322 W324	F300-S314 WeakPolarHBondContact CE1-OG 3.44Å; C302-S314 CarbonylContact O-C 3.6Å; C302-S314 WeakPolarHBondContact O-CA 3.44Å; S314-I321 WeakPolarHBondContact O-CA 3.37Å; S314-R322 PolarHBondContact N-O 2.86Å; S314-R322 PolarHBondContact O-N 2.77Å; S314-R322 VanDerWaalsContact O-N 3.12Å; S314-W324 PolarHBondContact OG-NE1 3.35Å
315	G	93.4	Very high	91.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.9	162.8	0	0	0	0	0	110.7	N301 C302	N301-G315 PolarHBondContact N-O 2.88Å; C302-G315 PolarHBondContact N-O 3.31Å; C302-G315 PolarHBondContact O-N 3.46Å
316	S	90.9	Very high	90.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	176.8	-179.9	-54.2	0	0	0	0	111.2	V299 F300 N301 D318 V345	V299-S316 CarbonylContact O-C 3.54Å; V299-S316 WeakPolarHBondContact O-CA 3.46Å; V299-S316 VanDerWaalsContact O-CB 3.29Å; V299-S316 WeakPolarHBondContact O-CB 3.25Å; F300-S316 VanDerWaalsContact CD1-OG 3.32Å; F300-S316 WeakPolarHBondContact CD1-OG 3.28Å; F300-S316 WeakPolarHBondContact CE1-OG 3.21Å; N301-S316 PolarHBondContact ND2-O 2.94Å; S316-D318 WeakPolarHBondContact CB-OD1 3.5Å; S316-D318 PolarHBondContact O-N 3.19Å; S316-V345 PolarHBondContact O-N 2.86Å
317	T	92.1	Very high	89.6	Confident	28 Å²	28	41.1 Å²	41.1	17%	0.172	19%	0.19	C	C	.	.	S	Bend	trans	-71.7	26.6	167.6	55.5	0	0	0	0	113.3	V299 W344	V299-T317 HydrophobicContact CB-CG2 3.67Å; V299-T317 HydrophobicContact CG1-CG2 3.72Å; V299-T317 PolarHBondContact O-N 2.87Å; T317-W344 VanDerWaalsContact C-CD1 3.45Å; T317-W344 HydrophobicContact CG2-CD2 4.27Å; T317-W344 HydrophobicContact CG2-CE3 4.21Å; T317-W344 HydrophobicContact CG2-CZ3 4.42Å; T317-W344 PolarHBondContact O-NE1 2.76Å; T317-W344 VanDerWaalsContact O-NE1 3.16Å
318	D	90.6	Very high	88.9	Confident	15 Å²	15	39.6 Å²	39.6	8%	0.08	18%	0.179	C	C	.	.	S	Bend	trans	-128.1	-177.8	165.7	66.3	12.8	0	0	0	110.2	K298 S316 H320 R322 V345	K298-D318 HydrophobicContact CD-CB 3.53Å; K298-D318 WeakPolarHBondContact CD-OD2 3.37Å; S316-D318 WeakPolarHBondContact CB-OD1 3.5Å; S316-D318 PolarHBondContact O-N 3.19Å; D318-H320 PolarHBondContact O-N 3.24Å; D318-H320 PolarHBondContact OD1-N 3.21Å; D318-H320 IonicContact OD2-CD2 3.64Å; D318-H320 PolarHBondContact OD2-CD2 2.93Å; D318-R322 VanDerWaalsContact CG-NH1 3.35Å; D318-R322 IonicContact OD1-NH1 2.92Å; D318-R322 PolarHBondContact OD1-NH1 3.33Å; D318-R322 IonicContact OD2-CZ 3.2Å; D318-R322 VanDerWaalsContact OD2-CZ 3.28Å; D318-R322 IonicContact OD2-NH1 3.81Å; D318-R322 PolarHBondContact OD2-NH1 3Å; D318-R322 IonicContact OD2-NH2 2.95Å; D318-R322 PolarHBondContact OD2-NH2 3.48Å; D318-V345 PolarHBondContact O-N 3.22Å
319	R	90.1	Very high	87.8	Confident	130 Å²	130	44.7 Å²	44.7	49%	0.491	20%	0.198	S	C	.	.	S	Bend	trans	-82	2.5	-179.3	64.5	176	-177.6	179	2.3	114.9	H341 G343	R319-H341 HydrophobicContact CB-CB 4.29Å; R319-H341 WeakPolarHBondContact CB-O 3.35Å; R319-H341 WeakPolarHBondContact CD-O 3.42Å; R319-G343 WeakPolarHBondContact CA-O 3.32Å
320	H	90.9	Very high	86.6	Confident	45 Å²	45	50.5 Å²	50.5	21%	0.208	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.6	-168.7	-60.1	-77.2	0	0	0	110.1	D318 T339	D318-H320 PolarHBondContact O-N 3.24Å; D318-H320 PolarHBondContact OD1-N 3.21Å; D318-H320 IonicContact OD2-CD2 3.64Å; D318-H320 PolarHBondContact OD2-CD2 2.93Å; H320-T339 WeakPolarHBondContact CE1-CG2 3.47Å; H320-T339 PolarHBondContact CE1-OG1 3.38Å; H320-T339 VanDerWaalsContact ND1-CG2 3.33Å; H320-T339 WeakPolarHBondContact ND1-CG2 3.49Å; H320-T339 PolarHBondContact ND1-OG1 3.25Å
321	I	93.5	Very high	85	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130	166.8	-53.3	160.2	0	0	0	106.7	A313 S314 S337 L338 V345 V348 L358 S360 W370	A313-I321 HydrophobicContact CB-CG2 4.25Å; S314-I321 WeakPolarHBondContact O-CA 3.37Å; I321-S337 CarbonylContact O-C 3.59Å; I321-S337 VanDerWaalsContact O-CA 3.28Å; I321-S337 WeakPolarHBondContact O-CA 3.46Å; I321-L338 HydrophobicContact CB-CB 4.1Å; I321-L338 HydrophobicContact CB-CD1 4.36Å; I321-L338 HydrophobicContact CD1-CB 4.4Å; I321-L338 HydrophobicContact CD1-CD1 4.43Å; I321-L338 HydrophobicContact CG2-CD1 4.36Å; I321-L338 PolarHBondContact N-O 2.87Å; I321-L338 PolarHBondContact O-N 3.07Å; I321-V345 HydrophobicContact CG1-CG1 4.17Å; I321-V345 HydrophobicContact CG1-CG2 3.92Å; I321-V348 HydrophobicContact CG2-CG2 4.37Å; I321-L358 HydrophobicContact CD1-CD1 4.43Å; I321-S360 VanDerWaalsContact CD1-CB 3.43Å; I321-S360 VanDerWaalsContact CD1-OG 3.28Å; I321-S360 WeakPolarHBondContact CD1-OG 3.15Å; I321-W370 HydrophobicContact CD1-CZ2 4.01Å
322	R	92.5	Very high	83.4	Confident	38 Å²	38	46.1 Å²	46.1	14%	0.143	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.2	-179	-66.9	174.4	176.8	77.4	4.2	110.1	A313 S314 D318 W324 V334	A313-R322 CarbonylContact C-O 3.51Å; A313-R322 WeakPolarHBondContact CA-O 3.28Å; S314-R322 PolarHBondContact N-O 2.86Å; S314-R322 PolarHBondContact O-N 2.77Å; S314-R322 VanDerWaalsContact O-N 3.12Å; D318-R322 VanDerWaalsContact CG-NH1 3.35Å; D318-R322 IonicContact OD1-NH1 2.92Å; D318-R322 PolarHBondContact OD1-NH1 3.33Å; D318-R322 IonicContact OD2-CZ 3.2Å; D318-R322 VanDerWaalsContact OD2-CZ 3.28Å; D318-R322 IonicContact OD2-NH1 3.81Å; D318-R322 PolarHBondContact OD2-NH1 3Å; D318-R322 IonicContact OD2-NH2 2.95Å; D318-R322 PolarHBondContact OD2-NH2 3.48Å; R322-W324 HydrophobicContact CB-CZ2 3.9Å; R322-W324 HydrophobicContact CG-CZ2 4.46Å; R322-W324 PolarHBondContact O-NE1 2.9Å; R322-V334 HydrophobicContact CB-CG1 3.88Å; R322-V334 HydrophobicContact CB-CG2 4.31Å; R322-V334 HydrophobicContact CG-CG1 3.88Å; R322-V334 HydrophobicContact CG-CG2 4.2Å
323	L	91.9	Very high	81.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.7	172.1	-60.7	-172	0	0	0	110.4	L312 A313 S335 L336 W350 L358 T372	L312-L323 CarbonylContact O-C 3.56Å; L312-L323 VanDerWaalsContact O-CA 3.31Å; L312-L323 WeakPolarHBondContact O-CA 3.29Å; A313-L323 HydrophobicContact CB-CD2 3.71Å; L323-S335 PolarHBondContact O-N 3.17Å; L323-L336 HydrophobicContact CB-CB 4.44Å; L323-L336 HydrophobicContact CD1-CB 4.13Å; L323-L336 HydrophobicContact CD1-CD1 4.24Å; L323-L336 HydrophobicContact CG-CB 4.44Å; L323-L336 PolarHBondContact N-O 3.43Å; L323-W350 HydrophobicContact CD1-CH2 4.38Å; L323-W350 HydrophobicContact CD2-CH2 4.09Å; L323-W350 HydrophobicContact CD2-CZ2 3.61Å; L323-L358 HydrophobicContact CD2-CD2 4.15Å; L323-T372 HydrophobicContact CD1-CG2 3.59Å
324	W	89.8	Confident	80.6	Confident	6 Å²	6	54.4 Å²	54.4	2%	0.023	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.8	-178.3	-46.5	83.5	0	0	0	110.4	I280 L294 F300 L312 S314 R322 V334	I280-W324 HydrophobicContact CD1-CD2 4.44Å; I280-W324 HydrophobicContact CD1-CG 4.39Å; L294-W324 HydrophobicContact CB-CE3 4.24Å; L294-W324 HydrophobicContact CB-CZ3 4.5Å; L294-W324 HydrophobicContact CD1-CB 3.95Å; L294-W324 HydrophobicContact CD1-CE3 4.43Å; L294-W324 HydrophobicContact CD1-CG 4.38Å; F300-W324 AromaticContact CE1-CZ2 3.83Å; F300-W324 HydrophobicContact CE1-CZ2 3.83Å; F300-W324 HydrophobicContact CZ-CH2 4.16Å; F300-W324 AromaticContact CZ-CZ2 3.58Å; F300-W324 HydrophobicContact CZ-CZ2 3.58Å; L312-W324 HydrophobicContact CB-CB 4.17Å; L312-W324 PolarHBondContact N-O 3.32Å; L312-W324 PolarHBondContact O-N 3.21Å; S314-W324 PolarHBondContact OG-NE1 3.35Å; R322-W324 HydrophobicContact CB-CZ2 3.9Å; R322-W324 HydrophobicContact CG-CZ2 4.46Å; R322-W324 PolarHBondContact O-NE1 2.9Å; W324-V334 HydrophobicContact CE3-CG2 4.4Å; W324-V334 HydrophobicContact CH2-CG2 3.61Å; W324-V334 HydrophobicContact CZ2-CG2 3.96Å; W324-V334 HydrophobicContact CZ3-CG2 3.86Å
325	D	85.9	Confident	79.5	Confident	50 Å²	50	56.9 Å²	56.9	27%	0.267	29%	0.287	S	S	.	.			trans	-101.8	109.8	165.5	-175.2	-16.5	0	0	0	108.8	R327 T328	D325-R327 PolarHBondContact O-N 2.59Å; D325-R327 VanDerWaalsContact O-N 3.1Å; D325-R327 VanDerWaalsContact OD1-CB 3.29Å; D325-R327 WeakPolarHBondContact OD1-CB 3.37Å; D325-R327 PolarHBondContact OD1-N 2.92Å; D325-T328 HydrophobicContact CB-CG2 3.95Å; D325-T328 PolarHBondContact O-N 3.35Å; D325-T328 PolarHBondContact O-OG1 3.36Å
326	P	78.2	Confident	78.9	Confident	13 Å²	13	60 Å²	60	8%	0.084	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.1	-178.6	24.8	-32.3	0	0	0	113.8	V282 S292 Y305 L312	V282-P326 HydrophobicContact CG2-CB 3.95Å; S292-P326 PolarHBondContact OG-O 2.88Å; Y305-P326 HydrophobicContact CE2-CG 4.32Å; L312-P326 HydrophobicContact CD1-CB 3.83Å; L312-P326 HydrophobicContact CD1-CG 4.15Å; L312-P326 HydrophobicContact CG-CG 4.34Å
327	R	78.1	Confident	78.7	Confident	157 Å²	157	62.5 Å²	62.5	59%	0.592	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.8	-178	-58.3	170.8	175.2	-151.1	-12.8	112.4	D325 K329	D325-R327 PolarHBondContact O-N 2.59Å; D325-R327 VanDerWaalsContact O-N 3.1Å; D325-R327 VanDerWaalsContact OD1-CB 3.29Å; D325-R327 WeakPolarHBondContact OD1-CB 3.37Å; D325-R327 PolarHBondContact OD1-N 2.92Å; R327-K329 PolarHBondContact O-N 3.36Å
328	T	73.8	Confident	78.5	Confident	60 Å²	60	61.2 Å²	61.2	37%	0.368	31%	0.313	S	S	.	.			trans	-76.2	117.1	178.6	56.1	0	0	0	0	110.4	D325 D330	D325-T328 HydrophobicContact CB-CG2 3.95Å; D325-T328 PolarHBondContact O-N 3.35Å; D325-T328 PolarHBondContact O-OG1 3.36Å; T328-D330 VanDerWaalsContact C-N 3.3Å; T328-D330 PolarHBondContact O-N 2.85Å
329	K	65.1	Low	78.5	Confident	186 Å²	186	62.7 Å²	62.7	81%	0.809	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.9	-179.6	-69.1	-172.3	177	-174.6	0	113.6	R327 G331	R327-K329 PolarHBondContact O-N 3.36Å; K329-G331 PolarHBondContact O-N 3.29Å; K329-G331 VanDerWaalsContact O-N 3.17Å
330	D	61.8	Low	78.5	Confident	146 Å²	146	58.5 Å²	58.5	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	4.2	-176.9	-77.8	-29.5	0	0	0	114.5	T328 S332	T328-D330 VanDerWaalsContact C-N 3.3Å; T328-D330 PolarHBondContact O-N 2.85Å; D330-S332 WeakPolarHBondContact O-CB 3.47Å; D330-S332 PolarHBondContact O-N 2.78Å; D330-S332 PolarHBondContact O-OG 2.8Å
331	G	55.9	Low	78.6	Confident	8 Å²	8	56.4 Å²	56.4	8%	0.082	30%	0.303	C	S	.	.			trans	62	-6	152.1	0	0	0	0	0	118.9	T295 K329	T295-G331 PolarHBondContact N-O 3.05Å; T295-G331 PolarHBondContact OG1-O 3.12Å; K329-G331 PolarHBondContact O-N 3.29Å; K329-G331 VanDerWaalsContact O-N 3.17Å
332	S	56.2	Low	78.6	Confident	86 Å²	86	62.1 Å²	62.1	60%	0.601	34%	0.338	S	S	*	.			trans	-129.8	-11.7	-164.2	56.8	0	0	0	0	114.1	D330 V334	D330-S332 WeakPolarHBondContact O-CB 3.47Å; D330-S332 PolarHBondContact O-N 2.78Å; D330-S332 PolarHBondContact O-OG 2.8Å; S332-V334 PolarHBondContact O-N 2.69Å
333	L	60.3	Low	78.6	Confident	127 Å²	127	61 Å²	61	67%	0.665	34%	0.339	S	S	*	.			trans	-94	90.4	-173.2	-133.3	129.2	0	0	0	111	S335	L333-S335 PolarHBondContact O-N 3.39Å; L333-S335 VanDerWaalsContact O-N 3.09Å
334	V	67.4	Low	78.8	Confident	47 Å²	47	67.6 Å²	67.6	29%	0.285	36%	0.364	S	S	.	.			trans	-58.6	111.3	160.3	175.7	0	0	0	0	106.8	R322 W324 S332 L336	R322-V334 HydrophobicContact CB-CG1 3.88Å; R322-V334 HydrophobicContact CB-CG2 4.31Å; R322-V334 HydrophobicContact CG-CG1 3.88Å; R322-V334 HydrophobicContact CG-CG2 4.2Å; W324-V334 HydrophobicContact CE3-CG2 4.4Å; W324-V334 HydrophobicContact CH2-CG2 3.61Å; W324-V334 HydrophobicContact CZ2-CG2 3.96Å; W324-V334 HydrophobicContact CZ3-CG2 3.86Å; S332-V334 PolarHBondContact O-N 2.69Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 WeakPolarHBondContact CG1-O 3.35Å
335	S	70.1	Confident	79.1	Confident	52 Å²	52	67.3 Å²	67.3	36%	0.364	36%	0.363	S	S	.	.			trans	-66.4	-43	-176.6	-52.2	0	0	0	0	110.6	L323 L333	L323-S335 PolarHBondContact O-N 3.17Å; L333-S335 PolarHBondContact O-N 3.39Å; L333-S335 VanDerWaalsContact O-N 3.09Å
336	L	81	Confident	79.5	Confident	64 Å²	64	66.3 Å²	66.3	34%	0.335	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147	-177.7	-68.2	162.3	0	0	0	109.4	L323 V334	L323-L336 HydrophobicContact CB-CB 4.44Å; L323-L336 HydrophobicContact CD1-CB 4.13Å; L323-L336 HydrophobicContact CD1-CD1 4.24Å; L323-L336 HydrophobicContact CG-CB 4.44Å; L323-L336 PolarHBondContact N-O 3.43Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 WeakPolarHBondContact CG1-O 3.35Å
337	S	87.2	Confident	80.4	Confident	55 Å²	55	66.4 Å²	66.4	39%	0.385	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.7	172.8	65.6	0	0	0	0	111	I321	I321-S337 CarbonylContact O-C 3.59Å; I321-S337 VanDerWaalsContact O-CA 3.28Å; I321-S337 WeakPolarHBondContact O-CA 3.46Å
338	L	89	Confident	81.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.5	174.5	-50.6	171	0	0	0	108.6	I321 L358 W370 C375	I321-L338 HydrophobicContact CB-CB 4.1Å; I321-L338 HydrophobicContact CB-CD1 4.36Å; I321-L338 HydrophobicContact CD1-CB 4.4Å; I321-L338 HydrophobicContact CD1-CD1 4.43Å; I321-L338 HydrophobicContact CG2-CD1 4.36Å; I321-L338 PolarHBondContact N-O 2.87Å; I321-L338 PolarHBondContact O-N 3.07Å; L338-L358 HydrophobicContact CD1-CD1 4.09Å; L338-L358 HydrophobicContact CD1-CD2 4.08Å; L338-L358 HydrophobicContact CD1-CG 4.41Å; L338-W370 HydrophobicContact CB-CD2 4.03Å; L338-W370 HydrophobicContact CB-CE3 3.76Å; L338-W370 HydrophobicContact CB-CH2 3.85Å; L338-W370 HydrophobicContact CB-CZ2 4.19Å; L338-W370 HydrophobicContact CB-CZ3 3.67Å; L338-W370 HydrophobicContact CD1-CB 3.88Å; L338-W370 HydrophobicContact CD1-CD2 3.89Å; L338-W370 HydrophobicContact CD1-CE3 4.12Å; L338-W370 HydrophobicContact CD1-CG 3.81Å; L338-W370 HydrophobicContact CD2-CE3 4.05Å; L338-W370 HydrophobicContact CD2-CZ3 4.45Å; L338-W370 HydrophobicContact CG-CD2 4.41Å; L338-W370 HydrophobicContact CG-CE3 4.19Å; L338-C375 HydrophobicContact CD2-CB 3.87Å
339	T	88.8	Confident	82.4	Confident	47 Å²	47	59 Å²	59	29%	0.288	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	103.3	-171.2	-53	0	0	0	0	110.7	H320	H320-T339 WeakPolarHBondContact CE1-CG2 3.47Å; H320-T339 PolarHBondContact CE1-OG1 3.38Å; H320-T339 VanDerWaalsContact ND1-CG2 3.33Å; H320-T339 WeakPolarHBondContact ND1-CG2 3.49Å; H320-T339 PolarHBondContact ND1-OG1 3.25Å
340	S	90.4	Very high	83.8	Confident	41 Å²	41	50.2 Å²	50.2	29%	0.287	29%	0.289	S	S	.	.			trans	-155.6	-27.3	174.1	-176	0	0	0	0	112.8	K368 P378	S340-K368 WeakPolarHBondContact OG-CE 3.46Å; S340-K368 PolarHBondContact OG-NZ 2.95Å; S340-P378 WeakPolarHBondContact OG-CD 3.37Å
341	H	93.4	Very high	85.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.252	C	S	.	.			trans	-59	158	174.8	-76.7	-66.5	0	0	0	112.1	R319 S360 S362 D364 I366 K368	R319-H341 HydrophobicContact CB-CB 4.29Å; R319-H341 WeakPolarHBondContact CB-O 3.35Å; R319-H341 WeakPolarHBondContact CD-O 3.42Å; H341-S360 PolarHBondContact NE2-OG 3.29Å; H341-S362 VanDerWaalsContact CE1-CB 3.44Å; H341-S362 WeakPolarHBondContact CE1-CB 3.33Å; H341-S362 WeakPolarHBondContact ND1-CB 3.28Å; H341-D364 VanDerWaalsContact CA-OD2 3.26Å; H341-D364 WeakPolarHBondContact CA-OD2 3.13Å; H341-D364 WeakPolarHBondContact CB-OD2 3.49Å; H341-D364 IonicContact CE1-OD1 2.81Å; H341-D364 IonicContact CG-OD2 3.68Å; H341-D364 IonicContact ND1-OD1 2.85Å; H341-D364 PolarHBondContact ND1-OD1 3.33Å; H341-D364 IonicContact ND1-OD2 3.1Å; H341-D364 PolarHBondContact ND1-OD2 3.27Å; H341-I366 PolarHBondContact CE1-O 3.36Å; H341-K368 VanDerWaalsContact CE1-CD 3.47Å; H341-K368 WeakPolarHBondContact CE1-CD 3.2Å; H341-K368 VanDerWaalsContact CE1-CG 3.46Å; H341-K368 WeakPolarHBondContact CE1-CG 3.33Å
342	T	93.7	Very high	87	Confident	120 Å²	120	44.4 Å²	44.4	74%	0.736	26%	0.258	S	S	*	.	S	Bend	trans	-114.6	-13.4	174.4	61.7	0	0	0	0	112.7	D364	T342-D364 PolarHBondContact N-OD2 2.94Å; T342-D364 WeakPolarHBondContact OG1-CB 3.31Å
343	G	93.3	Very high	88.4	Confident	16 Å²	16	44 Å²	44	17%	0.165	25%	0.252	C	S	.	.	S	Bend	trans	-112.3	-173.8	174.5	0	0	0	0	0	113.1	R319 S362	R319-G343 WeakPolarHBondContact CA-O 3.32Å; G343-S362 PolarHBondContact O-OG 2.72Å
344	W	95.1	Very high	89.7	Confident	138 Å²	138	40.5 Å²	40.5	52%	0.523	23%	0.232	S	C	.	.			trans	-69.7	141	173.1	-58.2	-11.9	0	0	0	110.4	T317 T346 S362 L363	T317-W344 VanDerWaalsContact C-CD1 3.45Å; T317-W344 HydrophobicContact CG2-CD2 4.27Å; T317-W344 HydrophobicContact CG2-CE3 4.21Å; T317-W344 HydrophobicContact CG2-CZ3 4.42Å; T317-W344 PolarHBondContact O-NE1 2.76Å; T317-W344 VanDerWaalsContact O-NE1 3.16Å; W344-T346 PolarHBondContact O-N 2.78Å; W344-S362 VanDerWaalsContact O-CA 3.23Å; W344-S362 WeakPolarHBondContact O-CA 3.18Å; W344-S362 WeakPolarHBondContact O-CB 3.4Å; W344-S362 PolarHBondContact O-OG 2.82Å; W344-L363 HydrophobicContact CB-CD1 3.78Å; W344-L363 HydrophobicContact CB-CG 4.1Å; W344-L363 HydrophobicContact CD2-CD1 3.93Å; W344-L363 HydrophobicContact CE3-CD1 3.76Å; W344-L363 HydrophobicContact CG-CD1 3.97Å; W344-L363 PolarHBondContact O-N 2.88Å
345	V	96.1	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.2	172.8	-177.4	0	0	0	0	107.9	N301 S316 D318 I321	N301-V345 WeakPolarHBondContact CB-O 3.39Å; N301-V345 PolarHBondContact ND2-O 3.02Å; S316-V345 PolarHBondContact O-N 2.86Å; D318-V345 PolarHBondContact O-N 3.22Å; I321-V345 HydrophobicContact CG1-CG1 4.17Å; I321-V345 HydrophobicContact CG1-CG2 3.92Å
346	T	95.5	Very high	91.6	Very high	28 Å²	28	43.7 Å²	43.7	17%	0.172	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-36.3	-175.8	48	0	0	0	0	111.6	C302 W344 G361 L363 V389	C302-T346 VanDerWaalsContact CB-O 3.31Å; C302-T346 WeakPolarHBondContact CB-O 3.39Å; C302-T346 VanDerWaalsContact SG-C 3.52Å; C302-T346 PolarHBondContact SG-O 2.71Å; W344-T346 PolarHBondContact O-N 2.78Å; T346-G361 PolarHBondContact N-O 2.75Å; T346-G361 PolarHBondContact OG1-O 2.9Å; T346-L363 HydrophobicContact CG2-CD2 3.37Å; T346-L363 HydrophobicContact CG2-CG 3.74Å; T346-V389 WeakPolarHBondContact CB-O 3.22Å; T346-V389 PolarHBondContact OG1-O 2.97Å
347	S	96	Very high	92.1	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.4	-176.2	-168.8	0	0	0	0	110.8	C302 S360 G361 V392	C302-S347 VanDerWaalsContact SG-C 3.57Å; C302-S347 WeakPolarHBondContact SG-CA 3.48Å; S347-S360 CarbonylContact O-C 3.58Å; S347-S360 WeakPolarHBondContact O-CA 3.33Å; S347-G361 PolarHBondContact N-O 3.43Å; S347-G361 PolarHBondContact O-N 2.8Å; S347-V392 PolarHBondContact OG-N 2.75Å; S347-V392 VanDerWaalsContact OG-N 3.12Å
348	V	96.8	Very high	92.4	Very high	8 Å²	8	38 Å²	38	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.6	177.4	65.7	0	0	0	0	108	C302 S304 A313 I321 L358 I359	C302-V348 HydrophobicContact CB-CG1 4.38Å; S304-V348 WeakPolarHBondContact CB-O 3.32Å; A313-V348 HydrophobicContact CB-CG1 4.47Å; A313-V348 HydrophobicContact CB-CG2 3.85Å; I321-V348 HydrophobicContact CG2-CG2 4.37Å; V348-L358 HydrophobicContact CG2-CD1 4Å; V348-I359 WeakPolarHBondContact CA-O 3.43Å
349	K	96.8	Very high	92.8	Very high	52 Å²	52	38 Å²	38	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.6	177.1	-174.1	67.3	173.3	73.1	0	110.5	L358 I359 V392 D393 W394	K349-L358 CarbonylContact O-C 3.54Å; K349-L358 WeakPolarHBondContact O-CA 3.45Å; K349-I359 HydrophobicContact CB-CD1 4.34Å; K349-I359 HydrophobicContact CB-CG1 3.91Å; K349-I359 PolarHBondContact N-O 3.18Å; K349-I359 WeakPolarHBondContact O-CG1 3.21Å; K349-I359 PolarHBondContact O-N 3.1Å; K349-V392 HydrophobicContact CB-CG2 4.4Å; K349-D393 VanDerWaalsContact CE-OD1 3.25Å; K349-D393 WeakPolarHBondContact CE-OD1 3.29Å; K349-W394 HydrophobicContact CG-CB 4.01Å
350	W	95.7	Very high	93.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.8	171	-77.2	102.4	0	0	0	111.9	S304 Y305 R311 A313 L323 E355 Q357 L358 T372	S304-W350 VanDerWaalsContact C-CD1 3.49Å; S304-W350 PolarHBondContact O-NE1 2.92Å; S304-W350 VanDerWaalsContact O-NE1 3.12Å; S304-W350 PolarHBondContact OG-N 2.77Å; Y305-W350 VanDerWaalsContact C-CD1 3.46Å; R311-W350 HydrophobicContact CB-CZ2 4.11Å; A313-W350 HydrophobicContact CB-CZ2 4.09Å; L323-W350 HydrophobicContact CD1-CH2 4.38Å; L323-W350 HydrophobicContact CD2-CH2 4.09Å; L323-W350 HydrophobicContact CD2-CZ2 3.61Å; W350-E355 WeakPolarHBondContact CZ3-O 3.34Å; W350-Q357 VanDerWaalsContact CE3-O 3.31Å; W350-L358 HydrophobicContact CD2-CB 3.97Å; W350-L358 HydrophobicContact CD2-CD2 4.05Å; W350-L358 HydrophobicContact CE3-CB 3.84Å; W350-L358 HydrophobicContact CE3-CD2 3.99Å; W350-L358 HydrophobicContact CE3-CG 4.49Å; W350-L358 HydrophobicContact CG-CB 4.37Å; W350-L358 HydrophobicContact CH2-CD2 3.74Å; W350-L358 HydrophobicContact CZ2-CD2 3.8Å; W350-L358 HydrophobicContact CZ3-CB 4.38Å; W350-L358 HydrophobicContact CZ3-CD2 3.83Å; W350-T372 HydrophobicContact CH2-CG2 3.64Å; W350-T372 HydrophobicContact CZ3-CG2 3.9Å
351	S	93.6	Very high	93.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.177	C	C	.	.			trans	-61.6	133.3	168.4	-176.1	0	0	0	0	109.6	T353 H354 Q357 W394	S351-T353 VanDerWaalsContact C-N 3.33Å; S351-T353 PolarHBondContact OG-N 3.5Å; S351-T353 PolarHBondContact OG-OG1 3.01Å; S351-H354 WeakPolarHBondContact CB-O 3.49Å; S351-H354 PolarHBondContact OG-N 2.84Å; S351-H354 VanDerWaalsContact OG-N 3.12Å; S351-Q357 WeakPolarHBondContact CB-O 3.23Å; S351-Q357 PolarHBondContact N-O 2.93Å; S351-W394 VanDerWaalsContact OG-CZ2 3.26Å; S351-W394 WeakPolarHBondContact OG-CZ2 3.44Å
352	P	90	Very high	93.6	Very high	32 Å²	32	33.8 Å²	33.8	21%	0.208	18%	0.176	C	C	.	.	S	Bend	trans	-76.9	-22.4	175.6	27.8	-30.7	0	0	0	113	T395 D396	P352-T395 WeakPolarHBondContact CG-O 3.49Å; P352-D396 WeakPolarHBondContact CB-OD1 3.2Å; P352-D396 VanDerWaalsContact CG-OD1 3.24Å; P352-D396 WeakPolarHBondContact CG-OD1 3.46Å
353	T	87.3	Confident	93.7	Very high	77 Å²	77	30.5 Å²	30.5	47%	0.472	15%	0.154	S	C	.	.	S	Bend	trans	-103	-34.2	-175.1	53.9	0	0	0	0	112.7	S351	S351-T353 VanDerWaalsContact C-N 3.33Å; S351-T353 PolarHBondContact OG-N 3.5Å; S351-T353 PolarHBondContact OG-OG1 3.01Å
354	H	87.3	Confident	93.7	Very high	53 Å²	53	30.8 Å²	30.8	25%	0.245	15%	0.151	C	C	.	.			trans	-105	126.3	179.9	-80.6	-86.7	0	0	0	112.4	S351 Q356 Q357 P416	S351-H354 WeakPolarHBondContact CB-O 3.49Å; S351-H354 PolarHBondContact OG-N 2.84Å; S351-H354 VanDerWaalsContact OG-N 3.12Å; H354-Q356 VanDerWaalsContact C-N 3.25Å; H354-Q356 PolarHBondContact O-N 2.85Å; H354-Q357 HydrophobicContact CB-CB 3.98Å; H354-Q357 HydrophobicContact CB-CG 4.07Å; H354-P416 WeakPolarHBondContact CD2-CG 3.46Å; H354-P416 WeakPolarHBondContact NE2-CG 3.26Å
355	E	87.6	Confident	93.8	Very high	101 Å²	101	26.4 Å²	26.4	47%	0.472	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.2	-177.5	179.4	173.9	171	0	0	113.6	L308 C309 W350	L308-E355 HydrophobicContact CB-CB 3.85Å; L308-E355 HydrophobicContact CB-CG 3.88Å; L308-E355 HydrophobicContact CD1-CB 4.3Å; C309-E355 WeakPolarHBondContact CA-OE1 3.28Å; C309-E355 HydrophobicContact CB-CG 3.47Å; C309-E355 VanDerWaalsContact CB-CG 3.47Å; C309-E355 WeakPolarHBondContact CB-OE1 3.36Å; C309-E355 PolarHBondContact SG-O 2.93Å; C309-E355 VanDerWaalsContact SG-O 3.37Å; W350-E355 WeakPolarHBondContact CZ3-O 3.34Å
356	Q	88.1	Confident	93.7	Very high	65 Å²	65	28.3 Å²	28.3	30%	0.304	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	0.7	-167.3	-65.5	166.2	-6	0	0	113.1	H354 D371 T372 R373	H354-Q356 VanDerWaalsContact C-N 3.25Å; H354-Q356 PolarHBondContact O-N 2.85Å; Q356-D371 CarbonylContact O-C 3.54Å; Q356-D371 WeakPolarHBondContact O-CA 3.14Å; Q356-T372 WeakPolarHBondContact CA-OG1 3.46Å; Q356-T372 WeakPolarHBondContact CB-OG1 3.49Å; Q356-T372 WeakPolarHBondContact O-CG2 3.33Å; Q356-T372 PolarHBondContact O-N 2.85Å; Q356-T372 PolarHBondContact O-OG1 3.19Å; Q356-R373 VanDerWaalsContact OE1-CG 3.28Å
357	Q	91.8	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143	-175.5	-65.3	-171.8	-8.8	0	0	112.4	W350 S351 H354 W370 W394 Y414	W350-Q357 VanDerWaalsContact CE3-O 3.31Å; S351-Q357 WeakPolarHBondContact CB-O 3.23Å; S351-Q357 PolarHBondContact N-O 2.93Å; H354-Q357 HydrophobicContact CB-CB 3.98Å; H354-Q357 HydrophobicContact CB-CG 4.07Å; Q357-W370 VanDerWaalsContact CA-O 3.26Å; Q357-W370 WeakPolarHBondContact CA-O 3.39Å; Q357-W394 HydrophobicContact CB-CH2 3.83Å; Q357-W394 HydrophobicContact CB-CZ3 4.06Å; Q357-Y414 PolarHBondContact NE2-OH 2.91Å; Q357-Y414 VanDerWaalsContact OE1-CE1 3.23Å; Q357-Y414 PolarHBondContact OE1-OH 2.76Å
358	L	94.9	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.5	176.1	64	89.8	0	0	0	110.4	A313 I321 L323 L338 V348 K349 W350 W370 T372	A313-L358 HydrophobicContact CB-CD2 4.13Å; I321-L358 HydrophobicContact CD1-CD1 4.43Å; L323-L358 HydrophobicContact CD2-CD2 4.15Å; L338-L358 HydrophobicContact CD1-CD1 4.09Å; L338-L358 HydrophobicContact CD1-CD2 4.08Å; L338-L358 HydrophobicContact CD1-CG 4.41Å; V348-L358 HydrophobicContact CG2-CD1 4Å; K349-L358 CarbonylContact O-C 3.54Å; K349-L358 WeakPolarHBondContact O-CA 3.45Å; W350-L358 HydrophobicContact CD2-CB 3.97Å; W350-L358 HydrophobicContact CD2-CD2 4.05Å; W350-L358 HydrophobicContact CE3-CB 3.84Å; W350-L358 HydrophobicContact CE3-CD2 3.99Å; W350-L358 HydrophobicContact CE3-CG 4.49Å; W350-L358 HydrophobicContact CG-CB 4.37Å; W350-L358 HydrophobicContact CH2-CD2 3.74Å; W350-L358 HydrophobicContact CZ2-CD2 3.8Å; W350-L358 HydrophobicContact CZ3-CB 4.38Å; W350-L358 HydrophobicContact CZ3-CD2 3.83Å; L358-W370 HydrophobicContact CD1-CB 3.86Å; L358-W370 HydrophobicContact CD1-CG 3.9Å; L358-W370 HydrophobicContact CG-CB 3.96Å; L358-W370 PolarHBondContact N-O 2.83Å; L358-W370 PolarHBondContact O-N 3.4Å; L358-T372 HydrophobicContact CD2-CG2 4.32Å
359	I	96.2	Very high	93.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	151.7	170.4	58.1	172	0	0	0	110.7	V348 K349 V367 K368 L369 V392 D393 W394 L400	V348-I359 WeakPolarHBondContact CA-O 3.43Å; K349-I359 HydrophobicContact CB-CD1 4.34Å; K349-I359 HydrophobicContact CB-CG1 3.91Å; K349-I359 PolarHBondContact N-O 3.18Å; K349-I359 WeakPolarHBondContact O-CG1 3.21Å; K349-I359 PolarHBondContact O-N 3.1Å; I359-V367 HydrophobicContact CB-CG1 4.46Å; I359-K368 WeakPolarHBondContact CA-O 3.49Å; I359-L369 HydrophobicContact CG2-CD1 3.5Å; I359-L369 VanDerWaalsContact CG2-CD1 3.5Å; I359-V392 HydrophobicContact CD1-CB 3.83Å; I359-V392 HydrophobicContact CD1-CG2 3.96Å; I359-V392 HydrophobicContact CG1-CB 4.36Å; I359-V392 HydrophobicContact CG1-CG2 3.96Å; I359-D393 VanDerWaalsContact CD1-O 3.32Å; I359-D393 WeakPolarHBondContact CD1-O 3.46Å; I359-W394 HydrophobicContact CB-CE3 4.37Å; I359-W394 HydrophobicContact CD1-CB 3.96Å; I359-W394 HydrophobicContact CG1-CB 4.35Å; I359-W394 HydrophobicContact CG1-CE3 4.17Å; I359-W394 HydrophobicContact CG2-CE3 3.63Å; I359-W394 HydrophobicContact CG2-CZ3 3.81Å; I359-L400 HydrophobicContact CD1-CD2 4.41Å; I359-L400 HydrophobicContact CG2-CD1 4.26Å; I359-L400 HydrophobicContact CG2-CD2 4.06Å
360	S	96.7	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.1	173	59.4	0	0	0	0	111.8	I321 H341 S347 V367 K368 W370	I321-S360 VanDerWaalsContact CD1-CB 3.43Å; I321-S360 VanDerWaalsContact CD1-OG 3.28Å; I321-S360 WeakPolarHBondContact CD1-OG 3.15Å; H341-S360 PolarHBondContact NE2-OG 3.29Å; S347-S360 CarbonylContact O-C 3.58Å; S347-S360 WeakPolarHBondContact O-CA 3.33Å; S360-V367 CarbonylContact O-C 3.58Å; S360-V367 VanDerWaalsContact O-CA 3.26Å; S360-V367 WeakPolarHBondContact O-CA 3.42Å; S360-K368 PolarHBondContact N-O 3.37Å; S360-K368 PolarHBondContact O-N 2.82Å; S360-W370 PolarHBondContact OG-NE1 3.49Å
361	G	96.4	Very high	93.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.3	169.7	0	0	0	0	0	110.9	T346 S347	T346-G361 PolarHBondContact N-O 2.75Å; T346-G361 PolarHBondContact OG1-O 2.9Å; S347-G361 PolarHBondContact N-O 3.43Å; S347-G361 PolarHBondContact O-N 2.8Å
362	S	96.6	Very high	92.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	164.5	-177.8	-179.4	0	0	0	0	112.6	H341 G343 W344 D364 N365 V389	H341-S362 VanDerWaalsContact CE1-CB 3.44Å; H341-S362 WeakPolarHBondContact CE1-CB 3.33Å; H341-S362 WeakPolarHBondContact ND1-CB 3.28Å; G343-S362 PolarHBondContact O-OG 2.72Å; W344-S362 VanDerWaalsContact O-CA 3.23Å; W344-S362 WeakPolarHBondContact O-CA 3.18Å; W344-S362 WeakPolarHBondContact O-CB 3.4Å; W344-S362 PolarHBondContact O-OG 2.82Å; S362-D364 VanDerWaalsContact CB-OD1 3.29Å; S362-D364 WeakPolarHBondContact CB-OD1 3.49Å; S362-D364 PolarHBondContact O-N 2.89Å; S362-D364 PolarHBondContact OG-N 2.83Å; S362-N365 PolarHBondContact O-N 2.92Å; S362-V389 WeakPolarHBondContact O-CB 3.25Å; S362-V389 PolarHBondContact O-N 2.9Å; S362-V389 VanDerWaalsContact O-N 3.13Å
363	L	95.7	Very high	92.6	Very high	51 Å²	51	25.1 Å²	25.1	27%	0.267	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-1	170.4	-57.3	-174.6	0	0	0	113.8	W344 T346 N365 K388	W344-L363 HydrophobicContact CB-CD1 3.78Å; W344-L363 HydrophobicContact CB-CG 4.1Å; W344-L363 HydrophobicContact CD2-CD1 3.93Å; W344-L363 HydrophobicContact CE3-CD1 3.76Å; W344-L363 HydrophobicContact CG-CD1 3.97Å; W344-L363 PolarHBondContact O-N 2.88Å; T346-L363 HydrophobicContact CG2-CD2 3.37Å; T346-L363 HydrophobicContact CG2-CG 3.74Å; L363-N365 VanDerWaalsContact C-N 3.26Å; L363-N365 PolarHBondContact O-OD1 3.39Å; L363-K388 HydrophobicContact CB-CG 4.22Å; L363-K388 HydrophobicContact CD2-CB 3.72Å; L363-K388 HydrophobicContact CD2-CD 3.97Å; L363-K388 HydrophobicContact CD2-CG 3.71Å
364	D	94.5	Very high	92.3	Very high	21 Å²	21	21.9 Å²	21.9	11%	0.112	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8.8	172.1	66.1	10	0	0	0	113.8	H341 T342 S362 I366	H341-D364 VanDerWaalsContact CA-OD2 3.26Å; H341-D364 WeakPolarHBondContact CA-OD2 3.13Å; H341-D364 WeakPolarHBondContact CB-OD2 3.49Å; H341-D364 IonicContact CE1-OD1 2.81Å; H341-D364 IonicContact CG-OD2 3.68Å; H341-D364 IonicContact ND1-OD1 2.85Å; H341-D364 PolarHBondContact ND1-OD1 3.33Å; H341-D364 IonicContact ND1-OD2 3.1Å; H341-D364 PolarHBondContact ND1-OD2 3.27Å; T342-D364 PolarHBondContact N-OD2 2.94Å; T342-D364 WeakPolarHBondContact OG1-CB 3.31Å; S362-D364 VanDerWaalsContact CB-OD1 3.29Å; S362-D364 WeakPolarHBondContact CB-OD1 3.49Å; S362-D364 PolarHBondContact O-N 2.89Å; S362-D364 PolarHBondContact OG-N 2.83Å; D364-I366 PolarHBondContact O-N 3.39Å; D364-I366 WeakPolarHBondContact OD1-CB 3.38Å; D364-I366 PolarHBondContact OD1-N 2.89Å
365	N	95.3	Very high	91.9	Very high	47 Å²	47	20.8 Å²	20.8	25%	0.251	11%	0.105	S	C	.	.	S	Bend	trans	70	6.1	179	-43.2	-15	0	0	0	113.8	S362 L363 H385 E386 D387 K388	S362-N365 PolarHBondContact O-N 2.92Å; L363-N365 VanDerWaalsContact C-N 3.26Å; L363-N365 PolarHBondContact O-OD1 3.39Å; N365-H385 HydrophobicContact CB-CB 4.42Å; N365-H385 WeakPolarHBondContact CB-O 3.34Å; N365-H385 WeakPolarHBondContact O-CB 3.32Å; N365-E386 PolarHBondContact ND2-O 3.04Å; N365-E386 VanDerWaalsContact ND2-O 3.16Å; N365-D387 WeakPolarHBondContact CB-O 3.5Å; N365-D387 VanDerWaalsContact CG-C 3.42Å; N365-D387 WeakPolarHBondContact OD1-CA 3.35Å; N365-D387 PolarHBondContact OD1-O 2.58Å; N365-K388 PolarHBondContact OD1-N 3.41Å
366	I	95.6	Very high	91.4	Very high	40 Å²	40	21.9 Å²	21.9	21%	0.205	11%	0.108	C	C	.	.			trans	-108.1	135.8	-177.5	-55.6	172.9	0	0	0	109.4	H341 D364 K368 D381 A383	H341-I366 PolarHBondContact CE1-O 3.36Å; D364-I366 PolarHBondContact O-N 3.39Å; D364-I366 WeakPolarHBondContact OD1-CB 3.38Å; D364-I366 PolarHBondContact OD1-N 2.89Å; I366-K368 HydrophobicContact CG2-CG 3.83Å; I366-D381 HydrophobicContact CG2-CB 3.95Å; I366-A383 HydrophobicContact CG1-CB 4.44Å
367	V	96.4	Very high	91.2	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	162.6	178.7	0	0	0	0	108.6	I359 S360 L382 V389 V392	I359-V367 HydrophobicContact CB-CG1 4.46Å; S360-V367 CarbonylContact O-C 3.58Å; S360-V367 VanDerWaalsContact O-CA 3.26Å; S360-V367 WeakPolarHBondContact O-CA 3.42Å; V367-L382 HydrophobicContact CB-CB 4.11Å; V367-L382 HydrophobicContact CB-CD1 4.43Å; V367-L382 HydrophobicContact CG1-CD1 4.23Å; V367-L382 PolarHBondContact N-O 3.36Å; V367-L382 WeakPolarHBondContact O-CB 3.46Å; V367-L382 PolarHBondContact O-N 3.5Å; V367-V389 HydrophobicContact CG2-CG1 3.93Å; V367-V389 HydrophobicContact CG2-CG2 4.01Å; V367-V392 HydrophobicContact CG1-CG1 4.08Å; V367-V392 HydrophobicContact CG2-CG1 3.83Å
368	K	95.3	Very high	91	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.1	-177.6	-66.5	-173.8	175.1	-83.9	0	110.2	S340 H341 I359 S360 I366 W370 P378 D381	S340-K368 WeakPolarHBondContact OG-CE 3.46Å; S340-K368 PolarHBondContact OG-NZ 2.95Å; H341-K368 VanDerWaalsContact CE1-CD 3.47Å; H341-K368 WeakPolarHBondContact CE1-CD 3.2Å; H341-K368 VanDerWaalsContact CE1-CG 3.46Å; H341-K368 WeakPolarHBondContact CE1-CG 3.33Å; I359-K368 WeakPolarHBondContact CA-O 3.49Å; S360-K368 PolarHBondContact N-O 3.37Å; S360-K368 PolarHBondContact O-N 2.82Å; I366-K368 HydrophobicContact CG2-CG 3.83Å; K368-W370 HydrophobicContact CB-CZ2 4.09Å; K368-W370 HydrophobicContact CD-CH2 4.47Å; K368-W370 HydrophobicContact CD-CZ2 3.78Å; K368-P378 HydrophobicContact CB-CB 4.04Å; K368-P378 HydrophobicContact CD-CB 4.41Å; K368-P378 HydrophobicContact CD-CG 4.08Å; K368-P378 HydrophobicContact CG-CB 4.45Å; K368-P378 HydrophobicContact CG-CG 4.42Å; K368-D381 WeakPolarHBondContact CG-OD1 3.24Å; K368-D381 IonicContact NZ-OD1 2.67Å; K368-D381 PolarHBondContact NZ-OD1 3.06Å; K368-D381 IonicContact NZ-OD2 3.93Å; K368-D381 PolarHBondContact NZ-OD2 3.24Å
369	L	94.6	Very high	90.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	169.3	-177.8	67.5	0	0	0	109.3	P92 I359 P378 L379 Y380 W394 Y414	P92-L369 HydrophobicContact CG-CD2 4.34Å; I359-L369 HydrophobicContact CG2-CD1 3.5Å; I359-L369 VanDerWaalsContact CG2-CD1 3.5Å; L369-P378 CarbonylContact O-C 3.59Å; L369-P378 WeakPolarHBondContact O-CA 3.46Å; L369-P378 VanDerWaalsContact O-CB 3.24Å; L369-P378 WeakPolarHBondContact O-CB 3.28Å; L369-L379 HydrophobicContact CD2-CB 4.39Å; L369-L379 HydrophobicContact CD2-CD1 4.24Å; L369-L379 HydrophobicContact CG-CB 4.43Å; L369-L379 HydrophobicContact CG-CD1 4.43Å; L369-L379 PolarHBondContact O-N 2.82Å; L369-Y380 HydrophobicContact CD2-CD2 3.82Å; L369-Y380 HydrophobicContact CD2-CE2 4.49Å; L369-Y380 PolarHBondContact N-O 3.39Å; L369-W394 HydrophobicContact CD1-CE3 4.34Å; L369-W394 HydrophobicContact CD1-CH2 3.54Å; L369-W394 HydrophobicContact CD1-CZ3 3.31Å; L369-Y414 HydrophobicContact CD2-CD2 4.17Å; L369-Y414 HydrophobicContact CD2-CE1 4.04Å; L369-Y414 HydrophobicContact CD2-CE2 3.58Å; L369-Y414 VanDerWaalsContact CD2-CZ 3.5Å
370	W	93	Very high	90.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.8	-175	-60.9	92.9	0	0	0	112	I321 L338 Q357 L358 S360 K368 P378	I321-W370 HydrophobicContact CD1-CZ2 4.01Å; L338-W370 HydrophobicContact CB-CD2 4.03Å; L338-W370 HydrophobicContact CB-CE3 3.76Å; L338-W370 HydrophobicContact CB-CH2 3.85Å; L338-W370 HydrophobicContact CB-CZ2 4.19Å; L338-W370 HydrophobicContact CB-CZ3 3.67Å; L338-W370 HydrophobicContact CD1-CB 3.88Å; L338-W370 HydrophobicContact CD1-CD2 3.89Å; L338-W370 HydrophobicContact CD1-CE3 4.12Å; L338-W370 HydrophobicContact CD1-CG 3.81Å; L338-W370 HydrophobicContact CD2-CE3 4.05Å; L338-W370 HydrophobicContact CD2-CZ3 4.45Å; L338-W370 HydrophobicContact CG-CD2 4.41Å; L338-W370 HydrophobicContact CG-CE3 4.19Å; Q357-W370 VanDerWaalsContact CA-O 3.26Å; Q357-W370 WeakPolarHBondContact CA-O 3.39Å; L358-W370 HydrophobicContact CD1-CB 3.86Å; L358-W370 HydrophobicContact CD1-CG 3.9Å; L358-W370 HydrophobicContact CG-CB 3.96Å; L358-W370 PolarHBondContact N-O 2.83Å; L358-W370 PolarHBondContact O-N 3.4Å; S360-W370 PolarHBondContact OG-NE1 3.49Å; K368-W370 HydrophobicContact CB-CZ2 4.09Å; K368-W370 HydrophobicContact CD-CH2 4.47Å; K368-W370 HydrophobicContact CD-CZ2 3.78Å; W370-P378 HydrophobicContact CD2-CB 4.08Å; W370-P378 HydrophobicContact CE3-CB 3.95Å; W370-P378 HydrophobicContact CH2-CB 4.42Å; W370-P378 HydrophobicContact CZ2-CB 4.46Å; W370-P378 HydrophobicContact CZ3-CB 4.13Å
371	D	90.3	Very high	90.1	Very high	2 Å²	2	29 Å²	29	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122	164.1	-169.6	-40.5	0	0	0	108.2	F61 Q356 R373 S374 L379	F61-D371 HydrophobicContact CE2-CB 4Å; Q356-D371 CarbonylContact O-C 3.54Å; Q356-D371 WeakPolarHBondContact O-CA 3.14Å; D371-R373 PolarHBondContact O-N 3.25Å; D371-R373 WeakPolarHBondContact OD1-CB 3.19Å; D371-R373 PolarHBondContact OD1-N 3.46Å; D371-R373 IonicContact OD1-NE 3.45Å; D371-R373 PolarHBondContact OD1-NE 3.33Å; D371-R373 IonicContact OD1-NH2 4Å; D371-R373 IonicContact OD2-CZ 3Å; D371-R373 IonicContact OD2-NE 3.5Å; D371-R373 PolarHBondContact OD2-NE 2.89Å; D371-R373 IonicContact OD2-NH2 3.98Å; D371-R373 PolarHBondContact OD2-NH2 2.74Å; D371-S374 CarbonylContact O-C 3.57Å; D371-S374 VanDerWaalsContact O-C 3.28Å; D371-S374 PolarHBondContact O-N 3.03Å; D371-L379 HydrophobicContact CB-CD1 3.85Å; D371-L379 HydrophobicContact CB-CD2 4.27Å; D371-L379 HydrophobicContact CB-CG 3.95Å
372	T	86.8	Confident	89.9	Confident	20 Å²	20	29.6 Å²	29.6	12%	0.123	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	-177.8	58.7	0	0	0	0	114	L323 W350 Q356 L358 S374 C375	L323-T372 HydrophobicContact CD1-CG2 3.59Å; W350-T372 HydrophobicContact CH2-CG2 3.64Å; W350-T372 HydrophobicContact CZ3-CG2 3.9Å; Q356-T372 WeakPolarHBondContact CA-OG1 3.46Å; Q356-T372 WeakPolarHBondContact CB-OG1 3.49Å; Q356-T372 WeakPolarHBondContact O-CG2 3.33Å; Q356-T372 PolarHBondContact O-N 2.85Å; Q356-T372 PolarHBondContact O-OG1 3.19Å; L358-T372 HydrophobicContact CD2-CG2 4.32Å; T372-S374 PolarHBondContact O-N 2.91Å; T372-C375 PolarHBondContact O-SG 3.02Å
373	R	83.3	Confident	89.7	Confident	41 Å²	41	33.2 Å²	33.2	16%	0.155	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.8	171.2	-63.8	177.5	-69	176.9	-4.5	111.9	L56 G59 E84 Y89 Q356 D371	L56-R373 HydrophobicContact CD2-CB 3.73Å; G59-R373 CarbonylContact C-O 3.55Å; G59-R373 VanDerWaalsContact C-O 3.31Å; G59-R373 WeakPolarHBondContact CA-O 3.2Å; E84-R373 IonicContact OE1-NH1 3.86Å; E84-R373 PolarHBondContact OE1-NH1 2.95Å; Y89-R373 PolarHBondContact OH-NH2 3.39Å; Q356-R373 VanDerWaalsContact OE1-CG 3.28Å; D371-R373 PolarHBondContact O-N 3.25Å; D371-R373 WeakPolarHBondContact OD1-CB 3.19Å; D371-R373 PolarHBondContact OD1-N 3.46Å; D371-R373 IonicContact OD1-NE 3.45Å; D371-R373 PolarHBondContact OD1-NE 3.33Å; D371-R373 IonicContact OD1-NH2 4Å; D371-R373 IonicContact OD2-CZ 3Å; D371-R373 IonicContact OD2-NE 3.5Å; D371-R373 PolarHBondContact OD2-NE 2.89Å; D371-R373 IonicContact OD2-NH2 3.98Å; D371-R373 PolarHBondContact OD2-NH2 2.74Å
374	S	82.4	Confident	89.5	Confident	9 Å²	9	32.3 Å²	32.3	6%	0.063	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-121.5	93.5	177.5	-163.6	0	0	0	0	112.2	G59 F61 D371 T372 K376	G59-S374 WeakPolarHBondContact O-CA 3.29Å; F61-S374 VanDerWaalsContact CD2-CB 3.43Å; F61-S374 PolarHBondContact N-OG 3.04Å; D371-S374 CarbonylContact O-C 3.57Å; D371-S374 VanDerWaalsContact O-C 3.28Å; D371-S374 PolarHBondContact O-N 3.03Å; T372-S374 PolarHBondContact O-N 2.91Å; S374-K376 PolarHBondContact O-N 2.75Å
375	C	78.3	Confident	89.5	Confident	29 Å²	29	31.8 Å²	31.8	20%	0.196	18%	0.184	C	C	.	.			trans	-82.8	-11.5	-173.4	-67.2	0	0	0	0	114.9	L338 T372	L338-C375 HydrophobicContact CD2-CB 3.87Å; T372-C375 PolarHBondContact O-SG 3.02Å
376	K	77.6	Confident	89.4	Confident	124 Å²	124	36.2 Å²	36.2	54%	0.539	20%	0.203	S	C	.	.	S	Bend	trans	-79.4	-31.9	-170.7	-162.6	175.4	-178.1	-178.6	0	112.8	E73 S374	E73-K376 IonicContact OE1-NZ 3.31Å; E73-K376 PolarHBondContact OE1-NZ 2.99Å; S374-K376 PolarHBondContact O-N 2.75Å
377	A	82.7	Confident	89.4	Confident	54 Å²	54	37.3 Å²	37.3	45%	0.446	21%	0.209	S	C	.	.	S	Bend	trans	-148.7	149.5	-179.6	0	0	0	0	0	110.5
378	P	87.6	Confident	89.4	Confident	21 Å²	21	41.5 Å²	41.5	14%	0.136	23%	0.227	C	C	.	.			trans	-65.7	158.2	170.9	30.9	-36.5	0	0	0	110.8	S340 K368 L369 W370 D381	S340-P378 WeakPolarHBondContact OG-CD 3.37Å; K368-P378 HydrophobicContact CB-CB 4.04Å; K368-P378 HydrophobicContact CD-CB 4.41Å; K368-P378 HydrophobicContact CD-CG 4.08Å; K368-P378 HydrophobicContact CG-CB 4.45Å; K368-P378 HydrophobicContact CG-CG 4.42Å; L369-P378 CarbonylContact O-C 3.59Å; L369-P378 WeakPolarHBondContact O-CA 3.46Å; L369-P378 VanDerWaalsContact O-CB 3.24Å; L369-P378 WeakPolarHBondContact O-CB 3.28Å; W370-P378 HydrophobicContact CD2-CB 4.08Å; W370-P378 HydrophobicContact CE3-CB 3.95Å; W370-P378 HydrophobicContact CH2-CB 4.42Å; W370-P378 HydrophobicContact CZ2-CB 4.46Å; W370-P378 HydrophobicContact CZ3-CB 4.13Å; P378-D381 WeakPolarHBondContact CG-OD1 3.21Å
379	L	86.6	Confident	89.5	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.063	23%	0.226	C	C	.	.	S	Bend	trans	-66.5	-48.1	171.1	-72.5	179.5	0	0	0	111	F61 Y89 L369 D371	F61-L379 HydrophobicContact CD2-CD2 3.73Å; F61-L379 HydrophobicContact CE2-CD2 3.49Å; F61-L379 VanDerWaalsContact CE2-CD2 3.49Å; F61-L379 HydrophobicContact CG-CD2 4.45Å; F61-L379 HydrophobicContact CZ-CD2 4.01Å; Y89-L379 HydrophobicContact CD2-CD1 3.85Å; Y89-L379 HydrophobicContact CD2-CD2 4.19Å; Y89-L379 HydrophobicContact CE2-CD1 4.4Å; Y89-L379 HydrophobicContact CG-CD1 4.2Å; L369-L379 HydrophobicContact CD2-CB 4.39Å; L369-L379 HydrophobicContact CD2-CD1 4.24Å; L369-L379 HydrophobicContact CG-CB 4.43Å; L369-L379 HydrophobicContact CG-CD1 4.43Å; L369-L379 PolarHBondContact O-N 2.82Å; D371-L379 HydrophobicContact CB-CD1 3.85Å; D371-L379 HydrophobicContact CB-CD2 4.27Å; D371-L379 HydrophobicContact CB-CG 3.95Å
380	Y	90.6	Very high	89.6	Confident	44 Å²	44	43 Å²	43	17%	0.173	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.4	-178.4	-59.3	-74.1	0	0	0	111.7	Y89 T90 A91 P92 L369	Y89-Y380 PolarHBondContact O-OH 3.47Å; T90-Y380 WeakPolarHBondContact O-CE2 3.35Å; A91-Y380 HydrophobicContact CB-CD1 3.98Å; A91-Y380 HydrophobicContact CB-CE1 3.77Å; P92-Y380 HydrophobicContact CG-CD2 4.46Å; L369-Y380 HydrophobicContact CD2-CD2 3.82Å; L369-Y380 HydrophobicContact CD2-CE2 4.49Å; L369-Y380 PolarHBondContact N-O 3.39Å
381	D	92.7	Very high	89.8	Confident	84 Å²	84	43.6 Å²	43.6	45%	0.449	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.6	171.2	-74.3	-10.9	0	0	0	109	I366 K368 P378	I366-D381 HydrophobicContact CG2-CB 3.95Å; K368-D381 WeakPolarHBondContact CG-OD1 3.24Å; K368-D381 IonicContact NZ-OD1 2.67Å; K368-D381 PolarHBondContact NZ-OD1 3.06Å; K368-D381 IonicContact NZ-OD2 3.93Å; K368-D381 PolarHBondContact NZ-OD2 3.24Å; P378-D381 WeakPolarHBondContact CG-OD1 3.21Å
382	L	92.9	Very high	90.1	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	96.3	175.3	-53	175.9	0	0	0	108.2	P92 V367 L400 Y412	P92-L382 HydrophobicContact CB-CD1 4.3Å; P92-L382 HydrophobicContact CB-CD2 3.84Å; P92-L382 HydrophobicContact CG-CD1 4.37Å; P92-L382 HydrophobicContact CG-CD2 3.94Å; V367-L382 HydrophobicContact CB-CB 4.11Å; V367-L382 HydrophobicContact CB-CD1 4.43Å; V367-L382 HydrophobicContact CG1-CD1 4.23Å; V367-L382 PolarHBondContact N-O 3.36Å; V367-L382 WeakPolarHBondContact O-CB 3.46Å; V367-L382 PolarHBondContact O-N 3.5Å; L382-L400 HydrophobicContact CD1-CD1 4.15Å; L382-Y412 HydrophobicContact CB-CE1 4.33Å; L382-Y412 HydrophobicContact CD1-CD1 4.27Å; L382-Y412 HydrophobicContact CD1-CD2 4Å; L382-Y412 HydrophobicContact CD1-CE1 4.41Å; L382-Y412 HydrophobicContact CD1-CE2 4.14Å; L382-Y412 HydrophobicContact CD1-CG 4.07Å; L382-Y412 HydrophobicContact CD2-CD1 4.09Å; L382-Y412 HydrophobicContact CD2-CE1 4.11Å
383	A	92.8	Very high	90.6	Very high	75 Å²	75	43.3 Å²	43.3	62%	0.62	24%	0.237	S	C	*	.			trans	-105	53.2	-175.7	0	0	0	0	0	111.8	I366	I366-A383 HydrophobicContact CG1-CB 4.44Å
384	A	91.4	Very high	91.2	Very high	32 Å²	32	41.5 Å²	41.5	26%	0.264	23%	0.23	S	C	.	.			trans	-90.4	-26	175.1	0	0	0	0	0	113.5	Y410 Y412	A384-Y410 HydrophobicContact CB-CD1 3.93Å; A384-Y410 HydrophobicContact CB-CD2 4.27Å; A384-Y410 HydrophobicContact CB-CE1 3.76Å; A384-Y410 HydrophobicContact CB-CE2 4.13Å; A384-Y410 HydrophobicContact CB-CG 4.16Å; A384-Y410 PolarHBondContact O-OH 2.89Å; A384-Y410 VanDerWaalsContact O-OH 3.13Å; A384-Y412 WeakPolarHBondContact CB-OH 3.29Å
385	H	93.6	Very high	91.7	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.046	23%	0.23	C	C	.	.			trans	-73.6	139.5	-179.6	-73.7	-79	0	0	0	111.3	N365 V389 S402 D406 K408 Y410	N365-H385 HydrophobicContact CB-CB 4.42Å; N365-H385 WeakPolarHBondContact CB-O 3.34Å; N365-H385 WeakPolarHBondContact O-CB 3.32Å; H385-V389 HydrophobicContact CB-CG2 4.09Å; H385-S402 VanDerWaalsContact NE2-CB 3.28Å; H385-S402 WeakPolarHBondContact NE2-CB 3.28Å; H385-S402 PolarHBondContact NE2-O 3.34Å; H385-S402 PolarHBondContact NE2-OG 2.95Å; H385-D406 WeakPolarHBondContact CA-OD2 3.03Å; H385-D406 IonicContact CE1-OD1 2.77Å; H385-D406 IonicContact CE1-OD2 3.37Å; H385-D406 IonicContact CG-OD2 2.73Å; H385-D406 VanDerWaalsContact ND1-CG 3.26Å; H385-D406 IonicContact ND1-OD1 3.8Å; H385-D406 PolarHBondContact ND1-OD1 2.85Å; H385-D406 VanDerWaalsContact ND1-OD1 3.08Å; H385-D406 IonicContact ND1-OD2 3.5Å; H385-D406 PolarHBondContact ND1-OD2 2.51Å; H385-K408 PolarHBondContact CE1-O 3.28Å; H385-Y410 AromaticContact CE1-CD2 3.41Å; H385-Y410 VanDerWaalsContact CE1-CD2 3.41Å; H385-Y410 WeakPolarHBondContact CE1-CD2 3.25Å; H385-Y410 AromaticContact CE1-CE2 3.83Å; H385-Y410 AromaticContact ND1-CD2 3.69Å; H385-Y410 AromaticContact ND1-CE2 3.63Å; H385-Y410 AromaticContact NE2-CD2 3.61Å
386	E	93.4	Very high	92.1	Very high	140 Å²	140	45.4 Å²	45.4	65%	0.654	25%	0.249	S	C	*	.	S	Bend	trans	-95.9	-12.7	177.8	-68.8	162.2	-154.8	0	0	112	N365 D406 K408	N365-E386 PolarHBondContact ND2-O 3.04Å; N365-E386 VanDerWaalsContact ND2-O 3.16Å; E386-D406 PolarHBondContact N-OD2 2.79Å; E386-K408 IonicContact OE1-NZ 3.57Å; E386-K408 PolarHBondContact OE1-NZ 2.79Å; E386-K408 IonicContact OE2-NZ 2.98Å; E386-K408 PolarHBondContact OE2-NZ 3.35Å
387	D	95.5	Very high	92.6	Very high	63 Å²	63	42.1 Å²	42.1	34%	0.337	24%	0.24	S	C	.	.	S	Bend	trans	-140.6	-177.2	178.6	-151.9	-26.6	0	0	0	110.3	N365 V389 A405 D406	N365-D387 WeakPolarHBondContact CB-O 3.5Å; N365-D387 VanDerWaalsContact CG-C 3.42Å; N365-D387 WeakPolarHBondContact OD1-CA 3.35Å; N365-D387 PolarHBondContact OD1-O 2.58Å; D387-V389 PolarHBondContact O-N 2.92Å; D387-A405 HydrophobicContact CB-CB 4.13Å; D387-D406 HydrophobicContact CB-CB 4.02Å
388	K	96	Very high	92.9	Very high	92 Å²	92	40.1 Å²	40.1	40%	0.4	22%	0.224	S	C	.	.			trans	-53.7	128.6	-172.4	-64.5	157.6	-175.9	168.9	0	112.1	L363 N365 G404 A405	L363-K388 HydrophobicContact CB-CG 4.22Å; L363-K388 HydrophobicContact CD2-CB 3.72Å; L363-K388 HydrophobicContact CD2-CD 3.97Å; L363-K388 HydrophobicContact CD2-CG 3.71Å; N365-K388 PolarHBondContact OD1-N 3.41Å; K388-G404 CarbonylContact O-C 3.56Å; K388-G404 WeakPolarHBondContact O-CA 3.48Å; K388-A405 HydrophobicContact CB-CB 4.19Å; K388-A405 PolarHBondContact O-N 2.97Å
389	V	97.4	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.3	168.8	-171.8	0	0	0	0	108.7	T346 S362 V367 H385 D387 V392	T346-V389 WeakPolarHBondContact CB-O 3.22Å; T346-V389 PolarHBondContact OG1-O 2.97Å; S362-V389 WeakPolarHBondContact O-CB 3.25Å; S362-V389 PolarHBondContact O-N 2.9Å; S362-V389 VanDerWaalsContact O-N 3.13Å; V367-V389 HydrophobicContact CG2-CG1 3.93Å; V367-V389 HydrophobicContact CG2-CG2 4.01Å; H385-V389 HydrophobicContact CB-CG2 4.09Å; D387-V389 PolarHBondContact O-N 2.92Å; V389-V392 HydrophobicContact CG1-CG1 3.8Å
390	L	96.7	Very high	93.6	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.194	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-34.6	-178.4	-62.8	179.9	0	0	0	111.9	W103 I104 Y119 G403	W103-L390 HydrophobicContact CB-CD1 4.29Å; I104-L390 WeakPolarHBondContact O-CB 3.06Å; I104-L390 WeakPolarHBondContact O-CD1 3.3Å; Y119-L390 HydrophobicContact CE2-CD1 4.07Å; L390-G403 PolarHBondContact N-O 2.87Å
391	S	96.8	Very high	93.8	Very high	13 Å²	13	36.7 Å²	36.7	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.4	-178.6	-162.3	0	0	0	0	111.4	S106 I107 S402 G403	S106-S391 WeakPolarHBondContact CA-OG 3.45Å; I107-S391 PolarHBondContact N-OG 2.85Å; S391-S402 WeakPolarHBondContact O-CA 3.42Å; S391-G403 PolarHBondContact N-O 2.76Å; S391-G403 PolarHBondContact O-N 2.99Å
392	V	97.5	Very high	94.1	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.2	168.6	-59	0	0	0	0	109.7	S347 K349 I359 V367 V389 L401	S347-V392 PolarHBondContact OG-N 2.75Å; S347-V392 VanDerWaalsContact OG-N 3.12Å; K349-V392 HydrophobicContact CB-CG2 4.4Å; I359-V392 HydrophobicContact CD1-CB 3.83Å; I359-V392 HydrophobicContact CD1-CG2 3.96Å; I359-V392 HydrophobicContact CG1-CB 4.36Å; I359-V392 HydrophobicContact CG1-CG2 3.96Å; V367-V392 HydrophobicContact CG1-CG1 4.08Å; V367-V392 HydrophobicContact CG2-CG1 3.83Å; V389-V392 HydrophobicContact CG1-CG1 3.8Å; V392-L401 CarbonylContact C-O 3.57Å; V392-L401 VanDerWaalsContact CA-O 3.23Å; V392-L401 WeakPolarHBondContact CA-O 3.37Å
393	D	97.2	Very high	94.2	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.9	174.6	-164.3	28	0	0	0	111.6	I107 K108 G109 K349 I359 L400 L401	I107-D393 HydrophobicContact CB-CB 4.47Å; I107-D393 HydrophobicContact CG2-CB 4.28Å; K108-D393 WeakPolarHBondContact CA-OD2 3.39Å; G109-D393 PolarHBondContact N-OD2 3.4Å; K349-D393 VanDerWaalsContact CE-OD1 3.25Å; K349-D393 WeakPolarHBondContact CE-OD1 3.29Å; I359-D393 VanDerWaalsContact CD1-O 3.32Å; I359-D393 WeakPolarHBondContact CD1-O 3.46Å; D393-L400 WeakPolarHBondContact O-CA 3.4Å; D393-L401 HydrophobicContact CB-CB 4.34Å; D393-L401 PolarHBondContact N-O 3.42Å; D393-L401 PolarHBondContact O-N 3.37Å
394	W	95.6	Very high	94.3	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	114.9	178.3	-167.5	-18.5	0	0	0	108.4	K349 S351 Q357 I359 L369 L400 Y414	K349-W394 HydrophobicContact CG-CB 4.01Å; S351-W394 VanDerWaalsContact OG-CZ2 3.26Å; S351-W394 WeakPolarHBondContact OG-CZ2 3.44Å; Q357-W394 HydrophobicContact CB-CH2 3.83Å; Q357-W394 HydrophobicContact CB-CZ3 4.06Å; I359-W394 HydrophobicContact CB-CE3 4.37Å; I359-W394 HydrophobicContact CD1-CB 3.96Å; I359-W394 HydrophobicContact CG1-CB 4.35Å; I359-W394 HydrophobicContact CG1-CE3 4.17Å; I359-W394 HydrophobicContact CG2-CE3 3.63Å; I359-W394 HydrophobicContact CG2-CZ3 3.81Å; L369-W394 HydrophobicContact CD1-CE3 4.34Å; L369-W394 HydrophobicContact CD1-CH2 3.54Å; L369-W394 HydrophobicContact CD1-CZ3 3.31Å; W394-L400 HydrophobicContact CB-CD2 4.11Å; W394-L400 HydrophobicContact CD2-CD2 3.23Å; W394-L400 HydrophobicContact CE3-CD2 3.76Å; W394-L400 HydrophobicContact CG-CD2 3.39Å; W394-L400 HydrophobicContact CH2-CD2 4.45Å; W394-L400 HydrophobicContact CZ2-CD2 4.06Å; W394-L400 HydrophobicContact CZ3-CD2 4.32Å; W394-Y414 AromaticContact CH2-CD1 3.77Å; W394-Y414 HydrophobicContact CH2-CD1 3.77Å; W394-Y414 AromaticContact CH2-CE1 3.53Å; W394-Y414 HydrophobicContact CH2-CE1 3.53Å; W394-Y414 AromaticContact CZ2-CD1 3.31Å; W394-Y414 HydrophobicContact CZ2-CD1 3.31Å; W394-Y414 AromaticContact CZ2-CE1 3.44Å; W394-Y414 HydrophobicContact CZ2-CE1 3.44Å; W394-Y414 VanDerWaalsContact CZ2-CE1 3.44Å
395	T	92.8	Very high	94.6	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.055	14%	0.144	C	C	.	.			trans	-90.9	160.1	-176.5	63.7	0	0	0	0	113.3	P352 T397 G398 L399 L401	P352-T395 WeakPolarHBondContact CG-O 3.49Å; T395-T397 PolarHBondContact O-N 2.65Å; T395-T397 PolarHBondContact OG1-OG1 3.15Å; T395-T397 VanDerWaalsContact OG1-OG1 3.04Å; T395-G398 PolarHBondContact O-N 3.19Å; T395-G398 VanDerWaalsContact O-N 3.12Å; T395-L399 HydrophobicContact CG2-CB 4.5Å; T395-L399 PolarHBondContact N-O 3.18Å; T395-L399 WeakPolarHBondContact OG1-CA 3.45Å; T395-L399 VanDerWaalsContact OG1-CB 3.22Å; T395-L399 WeakPolarHBondContact OG1-CB 3.4Å; T395-L399 PolarHBondContact OG1-N 3.04Å; T395-L399 PolarHBondContact OG1-O 3.41Å; T395-L401 HydrophobicContact CG2-CD1 4.28Å
396	D	88.1	Confident	94.6	Very high	112 Å²	112	27.9 Å²	27.9	60%	0.599	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24	176.7	-57.2	-29.8	0	0	0	112.6	P352 G398	P352-D396 WeakPolarHBondContact CB-OD1 3.2Å; P352-D396 VanDerWaalsContact CG-OD1 3.24Å; P352-D396 WeakPolarHBondContact CG-OD1 3.46Å; D396-G398 PolarHBondContact O-N 3.22Å
397	T	86.9	Confident	94.7	Very high	55 Å²	55	23.3 Å²	23.3	34%	0.337	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.5	177.7	64	0	0	0	0	113.3	T395 R413	T395-T397 PolarHBondContact O-N 2.65Å; T395-T397 PolarHBondContact OG1-OG1 3.15Å; T395-T397 VanDerWaalsContact OG1-OG1 3.04Å; T397-R413 PolarHBondContact O-NH1 2.81Å
398	G	88.4	Confident	94.7	Very high	12 Å²	12	21.7 Å²	21.7	12%	0.124	12%	0.117	C	C	.	.	S	Bend	trans	76.3	22.4	-178.3	0	0	0	0	0	113.5	T395 D396 Y414	T395-G398 PolarHBondContact O-N 3.19Å; T395-G398 VanDerWaalsContact O-N 3.12Å; D396-G398 PolarHBondContact O-N 3.22Å; G398-Y414 PolarHBondContact O-N 2.94Å
399	L	93.1	Very high	94.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122	173.4	-161	69.4	0	0	0	109.7	E95 I114 L128 T395 L401	E95-L399 WeakPolarHBondContact OE2-CD1 3.37Å; I114-L399 HydrophobicContact CD1-CD2 4.27Å; L128-L399 HydrophobicContact CD2-CD2 3.9Å; T395-L399 HydrophobicContact CG2-CB 4.5Å; T395-L399 PolarHBondContact N-O 3.18Å; T395-L399 WeakPolarHBondContact OG1-CA 3.45Å; T395-L399 VanDerWaalsContact OG1-CB 3.22Å; T395-L399 WeakPolarHBondContact OG1-CB 3.4Å; T395-L399 PolarHBondContact OG1-N 3.04Å; T395-L399 PolarHBondContact OG1-O 3.41Å; L399-L401 HydrophobicContact CD2-CD2 3.75Å; L399-L401 HydrophobicContact CD2-CG 4.3Å; L399-L401 HydrophobicContact CG-CD2 4.01Å; L399-L401 HydrophobicContact CG-CG 4.36Å
400	L	95.4	Very high	94.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.9	167.4	-45.7	179.5	0	0	0	108.3	P92 I359 L382 D393 W394 S411 Y412 Y414	P92-L400 HydrophobicContact CB-CD1 3.92Å; P92-L400 HydrophobicContact CG-CD1 3.9Å; I359-L400 HydrophobicContact CD1-CD2 4.41Å; I359-L400 HydrophobicContact CG2-CD1 4.26Å; I359-L400 HydrophobicContact CG2-CD2 4.06Å; L382-L400 HydrophobicContact CD1-CD1 4.15Å; D393-L400 WeakPolarHBondContact O-CA 3.4Å; W394-L400 HydrophobicContact CB-CD2 4.11Å; W394-L400 HydrophobicContact CD2-CD2 3.23Å; W394-L400 HydrophobicContact CE3-CD2 3.76Å; W394-L400 HydrophobicContact CG-CD2 3.39Å; W394-L400 HydrophobicContact CH2-CD2 4.45Å; W394-L400 HydrophobicContact CZ2-CD2 4.06Å; W394-L400 HydrophobicContact CZ3-CD2 4.32Å; L400-S411 CarbonylContact O-C 3.58Å; L400-S411 WeakPolarHBondContact O-CA 3.47Å; L400-Y412 PolarHBondContact N-O 3.33Å; L400-Y412 PolarHBondContact O-N 2.95Å; L400-Y414 HydrophobicContact CD1-CG 4.31Å
401	L	96.7	Very high	94.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.3	-179.9	-61.9	170.2	0	0	0	109.4	I107 I114 V392 D393 T395 L399 L409 Y410	I107-L401 HydrophobicContact CG2-CB 3.79Å; I107-L401 HydrophobicContact CG2-CD1 3.73Å; I107-L401 HydrophobicContact CG2-CG 4.38Å; I114-L401 HydrophobicContact CD1-CD1 4.26Å; I114-L401 HydrophobicContact CD1-CD2 3.7Å; I114-L401 HydrophobicContact CG1-CD1 4Å; I114-L401 HydrophobicContact CG1-CD2 4.36Å; I114-L401 HydrophobicContact CG2-CD1 3.8Å; V392-L401 CarbonylContact C-O 3.57Å; V392-L401 VanDerWaalsContact CA-O 3.23Å; V392-L401 WeakPolarHBondContact CA-O 3.37Å; D393-L401 HydrophobicContact CB-CB 4.34Å; D393-L401 PolarHBondContact N-O 3.42Å; D393-L401 PolarHBondContact O-N 3.37Å; T395-L401 HydrophobicContact CG2-CD1 4.28Å; L399-L401 HydrophobicContact CD2-CD2 3.75Å; L399-L401 HydrophobicContact CD2-CG 4.3Å; L399-L401 HydrophobicContact CG-CD2 4.01Å; L399-L401 HydrophobicContact CG-CG 4.36Å; L401-L409 HydrophobicContact CB-CD1 4.25Å; L401-L409 HydrophobicContact CD2-CD1 4.39Å; L401-Y410 WeakPolarHBondContact CA-O 3.46Å
402	S	97.1	Very high	94.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141	175.3	63.6	0	0	0	0	112.3	H385 S391 L409 Y410	H385-S402 VanDerWaalsContact NE2-CB 3.28Å; H385-S402 WeakPolarHBondContact NE2-CB 3.28Å; H385-S402 PolarHBondContact NE2-O 3.34Å; H385-S402 PolarHBondContact NE2-OG 2.95Å; S391-S402 WeakPolarHBondContact O-CA 3.42Å; S402-L409 CarbonylContact O-C 3.52Å; S402-L409 WeakPolarHBondContact O-CA 3.37Å; S402-L409 WeakPolarHBondContact O-CD1 3.34Å; S402-Y410 PolarHBondContact N-O 2.73Å; S402-Y410 PolarHBondContact O-N 2.87Å
403	G	96.8	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149	-176.7	0	0	0	0	0	111.3	L390 S391 K408	L390-G403 PolarHBondContact N-O 2.87Å; S391-G403 PolarHBondContact N-O 2.76Å; S391-G403 PolarHBondContact O-N 2.99Å; G403-K408 WeakPolarHBondContact CA-O 3.16Å
404	G	94.9	Very high	93.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-158.3	-169.8	0	0	0	0	0	115.2	I104 K388 D406	I104-G404 PolarHBondContact N-O 2.86Å; K388-G404 CarbonylContact O-C 3.56Å; K388-G404 WeakPolarHBondContact O-CA 3.48Å; G404-D406 PolarHBondContact O-N 3.2Å
405	A	96.1	Very high	92.8	Very high	7 Å²	7	22.3 Å²	22.3	6%	0.058	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.2	-178.9	0	0	0	0	0	113.9	W103 D387 K388 N407	W103-A405 VanDerWaalsContact CD1-O 3.24Å; W103-A405 HydrophobicContact CD2-CB 3.93Å; W103-A405 HydrophobicContact CG-CB 4.11Å; W103-A405 HydrophobicContact CZ2-CB 4.31Å; W103-A405 PolarHBondContact NE1-O 2.81Å; W103-A405 VanDerWaalsContact NE1-O 3.17Å; D387-A405 HydrophobicContact CB-CB 4.13Å; K388-A405 HydrophobicContact CB-CB 4.19Å; K388-A405 PolarHBondContact O-N 2.97Å; A405-N407 PolarHBondContact O-N 2.62Å; A405-N407 PolarHBondContact O-OD1 2.94Å
406	D	94.6	Very high	91.2	Very high	22 Å²	22	22.4 Å²	22.4	12%	0.118	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6	174	63.4	-12.2	0	0	0	113.2	H385 E386 D387 G404 K408	H385-D406 WeakPolarHBondContact CA-OD2 3.03Å; H385-D406 IonicContact CE1-OD1 2.77Å; H385-D406 IonicContact CE1-OD2 3.37Å; H385-D406 IonicContact CG-OD2 2.73Å; H385-D406 VanDerWaalsContact ND1-CG 3.26Å; H385-D406 IonicContact ND1-OD1 3.8Å; H385-D406 PolarHBondContact ND1-OD1 2.85Å; H385-D406 VanDerWaalsContact ND1-OD1 3.08Å; H385-D406 IonicContact ND1-OD2 3.5Å; H385-D406 PolarHBondContact ND1-OD2 2.51Å; E386-D406 PolarHBondContact N-OD2 2.79Å; D387-D406 HydrophobicContact CB-CB 4.02Å; G404-D406 PolarHBondContact O-N 3.2Å; D406-K408 WeakPolarHBondContact O-CG 3.35Å; D406-K408 PolarHBondContact O-N 2.96Å; D406-K408 VanDerWaalsContact O-N 3.16Å; D406-K408 PolarHBondContact OD1-N 3.16Å
407	N	95.8	Very high	89.7	Confident	43 Å²	43	19.7 Å²	19.7	23%	0.23	11%	0.109	C	C	.	.	S	Bend	trans	59.8	19.2	-179.1	-51.4	-10.4	0	0	0	113.6	H100 D101 D102 W103 A405	H100-N407 HydrophobicContact CB-CB 4.49Å; H100-N407 PolarHBondContact N-O 2.96Å; H100-N407 WeakPolarHBondContact O-CB 3.42Å; D101-N407 PolarHBondContact O-ND2 2.83Å; D102-N407 PolarHBondContact O-OD1 2.87Å; W103-N407 VanDerWaalsContact CD1-OD1 3.23Å; W103-N407 PolarHBondContact N-OD1 3.3Å; A405-N407 PolarHBondContact O-N 2.62Å; A405-N407 PolarHBondContact O-OD1 2.94Å
408	K	95.8	Very high	87.6	Confident	29 Å²	29	20.6 Å²	20.6	13%	0.126	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	-177.7	-66.5	171	-161.3	166.9	0	110.2	M98 F99 I104 H385 E386 G403 D406 Y410	M98-K408 CarbonylContact O-C 3.59Å; M98-K408 WeakPolarHBondContact O-CA 3.44Å; F99-K408 HydrophobicContact CD1-CG 4Å; F99-K408 HydrophobicContact CE1-CD 4.15Å; F99-K408 HydrophobicContact CE1-CG 3.94Å; I104-K408 VanDerWaalsContact CD1-O 3.27Å; I104-K408 WeakPolarHBondContact CD1-O 3.28Å; H385-K408 PolarHBondContact CE1-O 3.28Å; E386-K408 IonicContact OE1-NZ 3.57Å; E386-K408 PolarHBondContact OE1-NZ 2.79Å; E386-K408 IonicContact OE2-NZ 2.98Å; E386-K408 PolarHBondContact OE2-NZ 3.35Å; G403-K408 WeakPolarHBondContact CA-O 3.16Å; D406-K408 WeakPolarHBondContact O-CG 3.35Å; D406-K408 PolarHBondContact O-N 2.96Å; D406-K408 VanDerWaalsContact O-N 3.16Å; D406-K408 PolarHBondContact OD1-N 3.16Å; K408-Y410 HydrophobicContact CB-CD2 4.19Å; K408-Y410 HydrophobicContact CB-CE2 3.62Å; K408-Y410 HydrophobicContact CD-CE2 4.04Å; K408-Y410 WeakPolarHBondContact CD-OH 3.25Å; K408-Y410 HydrophobicContact CG-CE2 4.49Å
409	L	96.6	Very high	85.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.1	165.1	167.5	68.7	0	0	0	107.9	C97 M98 I104 I107 I114 T116 L401 S402	C97-L409 WeakPolarHBondContact CA-O 3.44Å; M98-L409 HydrophobicContact CB-CB 4.12Å; M98-L409 HydrophobicContact CB-CD2 4.43Å; M98-L409 HydrophobicContact CE-CB 4.46Å; M98-L409 HydrophobicContact CE-CD2 3.37Å; M98-L409 HydrophobicContact CE-CG 3.65Å; M98-L409 PolarHBondContact N-O 3.35Å; M98-L409 PolarHBondContact O-N 2.74Å; M98-L409 HydrophobicContact SD-CD2 3.62Å; M98-L409 HydrophobicContact SD-CG 4.37Å; I104-L409 HydrophobicContact CD1-CB 3.87Å; I107-L409 HydrophobicContact CD1-CD1 3.43Å; I107-L409 VanDerWaalsContact CD1-CD1 3.43Å; I107-L409 HydrophobicContact CG1-CD1 3.96Å; I107-L409 HydrophobicContact CG2-CD1 4.15Å; I114-L409 HydrophobicContact CG2-CD2 3.84Å; T116-L409 HydrophobicContact CG2-CD2 3.73Å; L401-L409 HydrophobicContact CB-CD1 4.25Å; L401-L409 HydrophobicContact CD2-CD1 4.39Å; S402-L409 CarbonylContact O-C 3.52Å; S402-L409 WeakPolarHBondContact O-CA 3.37Å; S402-L409 WeakPolarHBondContact O-CD1 3.34Å
410	Y	96.3	Very high	82.6	Confident	27 Å²	27	32.1 Å²	32.1	11%	0.106	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.8	172.8	-67.9	-83.9	0	0	0	110.4	Q96 C97 A384 H385 L401 S402 K408	Q96-Y410 WeakPolarHBondContact O-CA 3.47Å; C97-Y410 HydrophobicContact CB-CD1 4.05Å; C97-Y410 HydrophobicContact CB-CE1 3.92Å; C97-Y410 VanDerWaalsContact SG-CE1 3.51Å; A384-Y410 HydrophobicContact CB-CD1 3.93Å; A384-Y410 HydrophobicContact CB-CD2 4.27Å; A384-Y410 HydrophobicContact CB-CE1 3.76Å; A384-Y410 HydrophobicContact CB-CE2 4.13Å; A384-Y410 HydrophobicContact CB-CG 4.16Å; A384-Y410 PolarHBondContact O-OH 2.89Å; A384-Y410 VanDerWaalsContact O-OH 3.13Å; H385-Y410 AromaticContact CE1-CD2 3.41Å; H385-Y410 VanDerWaalsContact CE1-CD2 3.41Å; H385-Y410 WeakPolarHBondContact CE1-CD2 3.25Å; H385-Y410 AromaticContact CE1-CE2 3.83Å; H385-Y410 AromaticContact ND1-CD2 3.69Å; H385-Y410 AromaticContact ND1-CE2 3.63Å; H385-Y410 AromaticContact NE2-CD2 3.61Å; L401-Y410 WeakPolarHBondContact CA-O 3.46Å; S402-Y410 PolarHBondContact N-O 2.73Å; S402-Y410 PolarHBondContact O-N 2.87Å; K408-Y410 HydrophobicContact CB-CD2 4.19Å; K408-Y410 HydrophobicContact CB-CE2 3.62Å; K408-Y410 HydrophobicContact CD-CE2 4.04Å; K408-Y410 WeakPolarHBondContact CD-OH 3.25Å; K408-Y410 HydrophobicContact CG-CE2 4.49Å
411	S	95.2	Very high	79.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.3	168.6	71	0	0	0	0	110.7	E95 Q96 L400	E95-S411 PolarHBondContact N-O 2.87Å; Q96-S411 WeakPolarHBondContact CB-OG 3.11Å; Q96-S411 PolarHBondContact N-OG 2.82Å; Q96-S411 VanDerWaalsContact N-OG 3.09Å; Q96-S411 PolarHBondContact O-N 3.27Å; L400-S411 CarbonylContact O-C 3.58Å; L400-S411 WeakPolarHBondContact O-CA 3.47Å
412	Y	93.8	Very high	76.7	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.7	175.4	-52	-100.9	0	0	0	110	P92 Q93 P94 L382 A384 L400	P92-Y412 HydrophobicContact CB-CG 4.49Å; Q93-Y412 CarbonylContact O-C 3.49Å; Q93-Y412 WeakPolarHBondContact O-CA 3.27Å; P94-Y412 HydrophobicContact CB-CD1 3.88Å; P94-Y412 HydrophobicContact CB-CE1 3.82Å; L382-Y412 HydrophobicContact CB-CE1 4.33Å; L382-Y412 HydrophobicContact CD1-CD1 4.27Å; L382-Y412 HydrophobicContact CD1-CD2 4Å; L382-Y412 HydrophobicContact CD1-CE1 4.41Å; L382-Y412 HydrophobicContact CD1-CE2 4.14Å; L382-Y412 HydrophobicContact CD1-CG 4.07Å; L382-Y412 HydrophobicContact CD2-CD1 4.09Å; L382-Y412 HydrophobicContact CD2-CE1 4.11Å; A384-Y412 WeakPolarHBondContact CB-OH 3.29Å; L400-Y412 PolarHBondContact N-O 3.33Å; L400-Y412 PolarHBondContact O-N 2.95Å
413	R	90.6	Very high	73.4	Confident	77 Å²	77	49.5 Å²	49.5	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.3	169.9	-166.9	66.7	60.4	-177.2	-4.1	109.1	P92 Q93 E95 T397	P92-R413 WeakPolarHBondContact CA-O 3.36Å; Q93-R413 PolarHBondContact N-O 3.28Å; Q93-R413 PolarHBondContact O-N 2.69Å; E95-R413 HydrophobicContact CG-CB 4.07Å; E95-R413 WeakPolarHBondContact OE1-CB 3.25Å; E95-R413 IonicContact OE1-CZ 3.59Å; E95-R413 IonicContact OE1-NE 2.9Å; E95-R413 PolarHBondContact OE1-NE 3.24Å; E95-R413 IonicContact OE1-NH2 2.92Å; E95-R413 PolarHBondContact OE1-NH2 2.84Å; E95-R413 VanDerWaalsContact OE1-NH2 3.1Å; E95-R413 IonicContact OE2-CZ 2.95Å; E95-R413 IonicContact OE2-NE 2.74Å; E95-R413 IonicContact OE2-NH2 2.72Å; E95-R413 PolarHBondContact OE2-NH2 2.86Å; T397-R413 PolarHBondContact O-NH1 2.81Å
414	Y	87.5	Confident	72.2	Confident	1 Å²	1	52 Å²	52	0%	0.004	33%	0.325	C	S	.	.			trans	-133.8	104.5	175	178	-105.3	0	0	0	110.2	Y89 T90 P92 Q357 L369 W394 G398 L400 P416	Y89-Y414 WeakPolarHBondContact CD1-OH 3.41Å; T90-Y414 WeakPolarHBondContact O-CD2 3.39Å; T90-Y414 WeakPolarHBondContact O-CE2 3.49Å; P92-Y414 HydrophobicContact CB-CD2 4.31Å; P92-Y414 HydrophobicContact CG-CD2 3.68Å; P92-Y414 HydrophobicContact CG-CE2 4.39Å; P92-Y414 HydrophobicContact CG-CG 4.22Å; Q357-Y414 PolarHBondContact NE2-OH 2.91Å; Q357-Y414 VanDerWaalsContact OE1-CE1 3.23Å; Q357-Y414 PolarHBondContact OE1-OH 2.76Å; L369-Y414 HydrophobicContact CD2-CD2 4.17Å; L369-Y414 HydrophobicContact CD2-CE1 4.04Å; L369-Y414 HydrophobicContact CD2-CE2 3.58Å; L369-Y414 VanDerWaalsContact CD2-CZ 3.5Å; W394-Y414 AromaticContact CH2-CD1 3.77Å; W394-Y414 HydrophobicContact CH2-CD1 3.77Å; W394-Y414 AromaticContact CH2-CE1 3.53Å; W394-Y414 HydrophobicContact CH2-CE1 3.53Å; W394-Y414 AromaticContact CZ2-CD1 3.31Å; W394-Y414 HydrophobicContact CZ2-CD1 3.31Å; W394-Y414 AromaticContact CZ2-CE1 3.44Å; W394-Y414 HydrophobicContact CZ2-CE1 3.44Å; W394-Y414 VanDerWaalsContact CZ2-CE1 3.44Å; G398-Y414 PolarHBondContact O-N 2.94Å; L400-Y414 HydrophobicContact CD1-CG 4.31Å; Y414-P416 HydrophobicContact CE1-CB 3.84Å; Y414-P416 HydrophobicContact CE1-CG 4.07Å
415	S	76.1	Confident	71	Confident	59 Å²	59	54.7 Å²	54.7	41%	0.413	34%	0.342	S	S	.	.			trans	-105	106.3	167	55.7	0	0	0	0	108.4	T90 T417	T90-S415 PolarHBondContact OG1-O 3.04Å; S415-T417 PolarHBondContact O-N 2.91Å
416	P	60.5	Low	69.6	Low	11 Å²	11	57.4 Å²	57.4	7%	0.071	36%	0.358	C	S	.	.	S	Bend	trans	-64.4	-24.4	-175.7	18.8	-28.6	0	0	0	113.4	Y89 H354 Y414	Y89-P416 HydrophobicContact CD1-CB 3.76Å; Y89-P416 HydrophobicContact CE1-CB 3.92Å; H354-P416 WeakPolarHBondContact CD2-CG 3.46Å; H354-P416 WeakPolarHBondContact NE2-CG 3.26Å; Y414-P416 HydrophobicContact CE1-CB 3.84Å; Y414-P416 HydrophobicContact CE1-CG 4.07Å
417	T	56	Low	68.1	Low	55 Å²	55	59.5 Å²	59.5	34%	0.337	37%	0.372	S	S	.	.	S	Bend	trans	-119.3	140.6	172.5	51.9	0	0	0	0	109.6	E87 S415 S419	E87-T417 WeakPolarHBondContact OE2-CB 3.3Å; E87-T417 VanDerWaalsContact OE2-CG2 3.3Å; E87-T417 WeakPolarHBondContact OE2-CG2 3.44Å; S415-T417 PolarHBondContact O-N 2.91Å; T417-S419 PolarHBondContact O-N 2.98Å
418	T	42.9	Very low	66.4	Low	75 Å²	75	60.5 Å²	60.5	46%	0.46	38%	0.381	S	S	.	.			trans	-75.2	77.2	167.6	49.5	0	0	0	0	108.1	E87 T90 H420	E87-T418 PolarHBondContact OE1-N 3.35Å; E87-T418 PolarHBondContact OE1-OG1 3.25Å; T90-T418 HydrophobicContact CG2-CG2 4.18Å; T418-H420 PolarHBondContact O-N 3.05Å
419	S	37.4	Very low	64.4	Low	88 Å²	88	62.6 Å²	62.6	62%	0.615	40%	0.398	S	S	*	.			trans	-67.5	89.6	156.8	57.5	0	0	0	0	106.5	T417 V421	T417-S419 PolarHBondContact O-N 2.98Å; S419-V421 PolarHBondContact O-N 2.72Å
420	H	38.9	Very low	62.1	Low	166 Å²	166	67.1 Å²	67.1	77%	0.769	43%	0.427	S	S	*	.			trans	-61.3	86.5	157.8	-82.9	-65.1	0	0	0	106.9	T418 G422	T418-H420 PolarHBondContact O-N 3.05Å; H420-G422 PolarHBondContact O-N 2.74Å
421	V	33.2	Very low	59.5	Low	142 Å²	142	70.2 Å²	70.2	86%	0.861	45%	0.451	S	S	*	.			trans	-63.5	92.8	156.8	-179.7	0	0	0	0	104.8	S419	S419-V421 PolarHBondContact O-N 2.72Å
422	G	34.3	Very low	56.6	Low	59 Å²	59	76 Å²	76	61%	0.608	49%	0.489	S	S	*	.			trans	167.7	61.2	-171	0	0	0	0	0	112.4	H420	H420-G422 PolarHBondContact O-N 2.74Å
423	A	27.6	Very low	53.2	Low	170 Å²	170	82.1 Å²	82.1	100%	1.405	53%	0.53	S	S	*	.			trans	-148.6	0	152.5	0	0	0	0	0	108.6

Retrieved 423 of 423 residues in 3093.7 ms (Link to these results)

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