A0A096MXZ5_PAPAN Loading...

Serine/arginine-rich splicing factor 9

Plays a role in constitutive splicing and can modulate the selection of alternative splice sites. Represses the splicing of MAPT/Tau exon 10.

AlphaFold DB (Q13242), UniProt , Accession A0A096MXZ5, Species PAPAN (Papio anubis, Olive baboon), Gene SRSF9, Length 221 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	32.9	Very low	40.2	Very low	246 Å²	246	132.2 Å²	132.2	100%	1.212	71%	0.714	S	S	*	*				0	97	0	-71.1	165.3	170.1	0	0	106
2	S	41.5	Very low	41.4	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	70%	0.703	S	S	*	*			cis	-140.7	125.8	25.4	-47.1	0	0	0	0	107.2
3	G	31.2	Very low	43.6	Very low	67 Å²	67	120.8 Å²	120.8	69%	0.691	67%	0.673	S	S	*	*			trans	-103.6	110.9	-171.6	0	0	0	0	0	111.8
4	W	38	Very low	45.7	Very low	245 Å²	245	112.4 Å²	112.4	93%	0.928	63%	0.628	S	S	*	*			trans	-136.7	50.3	172.8	-69.9	122.1	0	0	0	110.7	D6	W4-D6 VanDerWaalsContact C-N 3.33Å; W4-D6 PolarHBondContact O-N 2.81Å; W4-D6 VanDerWaalsContact O-N 3.16Å
5	A	38.3	Very low	48.3	Very low	82 Å²	82	108.7 Å²	108.7	68%	0.678	60%	0.6	S	S	*	*			trans	-77	87.4	162.9	0	0	0	0	0	108.3
6	D	45.6	Very low	50.7	Low	107 Å²	107	101.9 Å²	101.9	57%	0.572	56%	0.563	S	S	*	*			trans	-96.5	80.2	156.8	-161.4	-116.7	0	0	0	107.6	W4 R8	W4-D6 VanDerWaalsContact C-N 3.33Å; W4-D6 PolarHBondContact O-N 2.81Å; W4-D6 VanDerWaalsContact O-N 3.16Å; D6-R8 PolarHBondContact O-N 2.72Å; D6-R8 WeakPolarHBondContact OD1-CB 3.36Å; D6-R8 WeakPolarHBondContact OD1-CD 3.24Å; D6-R8 WeakPolarHBondContact OD1-CG 3.35Å; D6-R8 WeakPolarHBondContact OD2-CD 3.44Å; D6-R8 IonicContact OD2-NE 3.94Å
7	E	42	Very low	52.8	Low	157 Å²	157	99.1 Å²	99.1	73%	0.734	54%	0.542	S	S	*	.			trans	-68.6	98.5	166	-76.8	167	77	0	0	107.5
8	R	39.8	Very low	54.6	Low	171 Å²	171	93.6 Å²	93.6	65%	0.645	51%	0.512	S	S	*	.			trans	-160.4	168.1	-162.3	-147.4	101	-49.8	-129.9	-1.2	113.9	D6 G10	D6-R8 PolarHBondContact O-N 2.72Å; D6-R8 WeakPolarHBondContact OD1-CB 3.36Å; D6-R8 WeakPolarHBondContact OD1-CD 3.24Å; D6-R8 WeakPolarHBondContact OD1-CG 3.35Å; D6-R8 WeakPolarHBondContact OD2-CD 3.44Å; D6-R8 IonicContact OD2-NE 3.94Å; R8-G10 PolarHBondContact O-N 3.23Å
9	G	38.9	Very low	56.1	Low	23 Å²	23	88.7 Å²	88.7	24%	0.237	49%	0.485	C	S	.	.			trans	79.5	-0.7	146.6	0	0	0	0	0	119.7
10	G	43	Very low	57.1	Low	39 Å²	39	85.2 Å²	85.2	40%	0.402	47%	0.466	S	S	.	.	S	Bend	trans	-83.3	115.5	173.7	0	0	0	0	0	111.3	R8	R8-G10 PolarHBondContact O-N 3.23Å
11	E	50.7	Low	58.2	Low	201 Å²	201	81.3 Å²	81.3	94%	0.939	45%	0.445	S	S	*	.	S	Bend	trans	74.9	71	176.8	-65.8	167.1	86	0	0	115.6
12	G	55.3	Low	60.1	Low	57 Å²	57	70.9 Å²	70.9	59%	0.588	40%	0.395	S	S	*	.	S	Bend	trans	146.3	-5.1	161.6	0	0	0	0	0	117.5	G14	G12-G14 PolarHBondContact O-N 2.82Å
13	D	69	Low	61.7	Low	59 Å²	59	70.6 Å²	70.6	32%	0.316	39%	0.389	S	S	.	.	S	Bend	trans	-94.3	11.9	-167.3	-106.8	-43.2	0	0	0	115.7	R15 R58	D13-R15 PolarHBondContact O-N 3.16Å; D13-R58 VanDerWaalsContact O-CG 3.3Å; D13-R58 WeakPolarHBondContact O-CG 3.07Å; D13-R58 PolarHBondContact O-NE 3.39Å; D13-R58 IonicContact OD1-CZ 3.74Å; D13-R58 IonicContact OD1-NE 3.43Å; D13-R58 IonicContact OD1-NH2 3.37Å; D13-R58 PolarHBondContact OD1-NH2 2.89Å; D13-R58 IonicContact OD2-NH2 3Å; D13-R58 PolarHBondContact OD2-NH2 3.43Å
14	G	74	Confident	64.1	Low	4 Å²	4	74 Å²	74	4%	0.041	39%	0.392	C	S	.	.			trans	64.1	20.6	-179.7	0	0	0	0	0	115	G12 R58 F59 A65	G12-G14 PolarHBondContact O-N 2.82Å; G14-R58 WeakPolarHBondContact O-CA 3.04Å; G14-F59 PolarHBondContact O-N 3.21Å; G14-A65 WeakPolarHBondContact O-CB 3.39Å
15	R	84.4	Confident	66.2	Low	56 Å²	56	62.7 Å²	62.7	21%	0.211	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130	178.8	-170.7	-178.9	-77.5	178.3	-6.1	111	D13 F56 V57 R58 P87	D13-R15 PolarHBondContact O-N 3.16Å; R15-F56 HydrophobicContact CG-CB 4.33Å; R15-V57 CarbonylContact C-O 3.49Å; R15-V57 WeakPolarHBondContact CA-O 3.45Å; R15-R58 HydrophobicContact CB-CG 4.43Å; R15-P87 HydrophobicContact CB-CG 4.17Å; R15-P87 HydrophobicContact CG-CG 3.99Å; R15-P87 WeakPolarHBondContact O-CD 3.19Å
16	I	87.1	Confident	68.5	Low	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.1	170.3	64.3	165.3	0	0	0	109.8	V18 F34 F56 V57 F59 A65 A68 I69 V84 E85	I16-V18 HydrophobicContact CD1-CG2 3.81Å; I16-V18 HydrophobicContact CG1-CG2 4.13Å; I16-F34 HydrophobicContact CD1-CD1 3.77Å; I16-F34 HydrophobicContact CD1-CE1 3.43Å; I16-F34 VanDerWaalsContact CD1-CE1 3.43Å; I16-F34 HydrophobicContact CD1-CE2 4.46Å; I16-F34 HydrophobicContact CD1-CG 4.41Å; I16-F34 HydrophobicContact CD1-CZ 3.84Å; I16-F56 CarbonylContact O-C 3.52Å; I16-F56 VanDerWaalsContact O-CA 3.27Å; I16-F56 WeakPolarHBondContact O-CA 3.41Å; I16-V57 HydrophobicContact CD1-CB 4Å; I16-V57 HydrophobicContact CD1-CG1 4.49Å; I16-V57 HydrophobicContact CG1-CB 3.67Å; I16-V57 HydrophobicContact CG1-CG1 4.42Å; I16-V57 VanDerWaalsContact CG1-O 3.29Å; I16-V57 WeakPolarHBondContact CG1-O 3.45Å; I16-V57 PolarHBondContact N-O 3.4Å; I16-V57 PolarHBondContact O-N 2.79Å; I16-F59 HydrophobicContact CD1-CE2 3.61Å; I16-F59 HydrophobicContact CD1-CZ 4.36Å; I16-F59 HydrophobicContact CG1-CD2 4.47Å; I16-F59 HydrophobicContact CG1-CE2 3.95Å; I16-F59 HydrophobicContact CG2-CD2 4.46Å; I16-F59 HydrophobicContact CG2-CE2 4.33Å; I16-A65 HydrophobicContact CG2-CB 3.59Å; I16-A68 HydrophobicContact CD1-CB 4.1Å; I16-I69 HydrophobicContact CB-CG1 4.41Å; I16-I69 HydrophobicContact CG2-CD1 3.78Å; I16-I69 HydrophobicContact CG2-CG1 3.83Å; I16-V84 HydrophobicContact CB-CG1 4.22Å; I16-V84 HydrophobicContact CD1-CG1 3.57Å; I16-V84 HydrophobicContact CG1-CG1 4.38Å; I16-E85 CarbonylContact C-O 3.59Å
17	Y	85.7	Confident	70.4	Confident	55 Å²	55	65.7 Å²	65.7	22%	0.216	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	165.6	169	-89.9	0	0	0	108.7	G19 F54 F56 R83 V84 E85	Y17-G19 VanDerWaalsContact CE1-CA 3.48Å; Y17-G19 VanDerWaalsContact CE1-N 3.32Å; Y17-F54 HydrophobicContact CD2-CD2 4.26Å; Y17-F54 HydrophobicContact CE2-CB 3.63Å; Y17-F54 AromaticContact CE2-CD2 3.68Å; Y17-F54 HydrophobicContact CE2-CD2 3.68Å; Y17-F54 AromaticContact CE2-CG 3.82Å; Y17-F54 HydrophobicContact CE2-CG 3.82Å; Y17-F56 HydrophobicContact CD2-CD1 4.2Å; Y17-F56 AromaticContact CD2-CE1 3.6Å; Y17-F56 HydrophobicContact CD2-CE1 3.6Å; Y17-F56 AromaticContact CD2-CZ 3.96Å; Y17-F56 HydrophobicContact CD2-CZ 3.96Å; Y17-F56 HydrophobicContact CG-CE1 4.29Å; Y17-R83 HydrophobicContact CE1-CG 4.26Å; Y17-V84 CarbonylContact O-C 3.54Å; Y17-V84 VanDerWaalsContact O-CA 3.26Å; Y17-V84 WeakPolarHBondContact O-CA 3.34Å; Y17-E85 HydrophobicContact CD1-CG 3.82Å; Y17-E85 HydrophobicContact CG-CG 4.38Å; Y17-E85 PolarHBondContact N-O 2.93Å; Y17-E85 PolarHBondContact O-N 2.72Å
18	V	85.9	Confident	72.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	96.7	178.1	-170.8	0	0	0	0	107.7	I16 L21 L30 F34 F54 A55 V57 R83 V84	I16-V18 HydrophobicContact CD1-CG2 3.81Å; I16-V18 HydrophobicContact CG1-CG2 4.13Å; V18-L21 HydrophobicContact CG1-CD1 4.23Å; V18-L21 HydrophobicContact CG1-CD2 3.73Å; V18-L21 HydrophobicContact CG1-CG 4.12Å; V18-L21 WeakPolarHBondContact O-CD1 3.3Å; V18-L30 HydrophobicContact CB-CD2 4.47Å; V18-L30 HydrophobicContact CG1-CD2 4.02Å; V18-F34 HydrophobicContact CB-CE2 4.29Å; V18-F34 HydrophobicContact CB-CZ 4.31Å; V18-F34 HydrophobicContact CG1-CE2 3.88Å; V18-F34 HydrophobicContact CG1-CZ 3.87Å; V18-F34 HydrophobicContact CG2-CE1 4.38Å; V18-F34 HydrophobicContact CG2-CE2 3.5Å; V18-F34 VanDerWaalsContact CG2-CE2 3.5Å; V18-F34 HydrophobicContact CG2-CZ 3.41Å; V18-F34 VanDerWaalsContact CG2-CZ 3.41Å; V18-F54 CarbonylContact O-C 3.59Å; V18-F54 WeakPolarHBondContact O-CA 3.36Å; V18-A55 HydrophobicContact CB-CB 4.47Å; V18-A55 PolarHBondContact N-O 2.99Å; V18-A55 PolarHBondContact O-N 3.44Å; V18-V57 HydrophobicContact CG2-CG2 3.91Å; V18-R83 CarbonylContact C-O 3.55Å; V18-R83 VanDerWaalsContact CA-O 3.23Å; V18-R83 WeakPolarHBondContact CA-O 3.15Å; V18-V84 HydrophobicContact CG1-CG2 4.27Å; V18-V84 HydrophobicContact CG2-CG1 4.4Å
19	G	83.5	Confident	74.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	175.4	175.9	0	0	0	0	0	112.7	Y17 L21 R83	Y17-G19 VanDerWaalsContact CE1-CA 3.48Å; Y17-G19 VanDerWaalsContact CE1-N 3.32Å; G19-L21 VanDerWaalsContact C-N 3.29Å; G19-L21 PolarHBondContact O-N 3.32Å; G19-R83 PolarHBondContact N-O 3.37Å; G19-R83 PolarHBondContact O-N 2.86Å
20	N	76.1	Confident	77.1	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.102	30%	0.302	C	S	.	.	S	Bend	trans	61.7	40	175.9	-133.7	55.1	0	0	0	112.6	C80 R81 R83 E133	N20-C80 WeakPolarHBondContact O-CB 3.29Å; N20-R81 WeakPolarHBondContact CB-O 3.46Å; N20-R81 PolarHBondContact ND2-O 3.34Å; N20-R83 HydrophobicContact CB-CB 4.35Å; N20-E133 PolarHBondContact ND2-O 3.41Å; N20-E133 VanDerWaalsContact ND2-O 3.12Å; N20-E133 PolarHBondContact OD1-O 2.63Å
21	L	80	Confident	79.3	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	31%	0.306	C	S	.	.			trans	-81.8	155	177	-64.9	164.5	0	0	0	110.6	V18 G19 V25 L30 L45 P53 A55 L82	V18-L21 HydrophobicContact CG1-CD1 4.23Å; V18-L21 HydrophobicContact CG1-CD2 3.73Å; V18-L21 HydrophobicContact CG1-CG 4.12Å; V18-L21 WeakPolarHBondContact O-CD1 3.3Å; G19-L21 VanDerWaalsContact C-N 3.29Å; G19-L21 PolarHBondContact O-N 3.32Å; L21-V25 HydrophobicContact CB-CB 4.17Å; L21-V25 HydrophobicContact CB-CG1 3.71Å; L21-V25 HydrophobicContact CB-CG2 4.49Å; L21-V25 HydrophobicContact CD1-CG1 4.08Å; L21-V25 HydrophobicContact CD2-CG2 4.14Å; L21-V25 HydrophobicContact CG-CG1 4.37Å; L21-L30 HydrophobicContact CD1-CD1 4.25Å; L21-L30 HydrophobicContact CD1-CD2 3.93Å; L21-L30 HydrophobicContact CD2-CD2 3.63Å; L21-L30 HydrophobicContact CG-CD2 4.45Å; L21-L45 HydrophobicContact CD1-CD1 4.1Å; L21-P53 HydrophobicContact CB-CB 4.33Å; L21-P53 HydrophobicContact CB-CG 3.97Å; L21-P53 WeakPolarHBondContact CB-O 3.49Å; L21-P53 PolarHBondContact N-O 3.48Å; L21-P53 VanDerWaalsContact N-O 3.17Å; L21-P53 VanDerWaalsContact O-CD 3.29Å; L21-P53 WeakPolarHBondContact O-CD 3.48Å; L21-P53 WeakPolarHBondContact O-CG 3.31Å; L21-A55 HydrophobicContact CD1-CB 3.8Å; L21-L82 HydrophobicContact CD2-CD2 3.42Å; L21-L82 VanDerWaalsContact CD2-CD2 3.42Å; L21-L82 HydrophobicContact CG-CD2 4.34Å
22	P	72.7	Confident	81	Confident	27 Å²	27	57.5 Å²	57.5	18%	0.175	30%	0.295	C	S	.	.			trans	-66.3	150.3	170.4	24.9	-29.8	0	0	0	110.8	D24 V25 P53 Y77	P22-D24 PolarHBondContact O-N 3.23Å; P22-D24 VanDerWaalsContact O-N 3.15Å; P22-V25 HydrophobicContact CG-CB 3.99Å; P22-V25 VanDerWaalsContact O-CB 3.29Å; P22-V25 WeakPolarHBondContact O-CB 3.5Å; P22-V25 VanDerWaalsContact O-CG1 3.28Å; P22-V25 WeakPolarHBondContact O-CG1 3.5Å; P22-V25 PolarHBondContact O-N 3.23Å; P22-P53 VanDerWaalsContact O-CG 3.27Å; P22-P53 WeakPolarHBondContact O-CG 3.37Å; P22-Y77 HydrophobicContact CG-CD1 3.85Å; P22-Y77 HydrophobicContact CG-CE1 3.97Å
23	T	75.5	Confident	82.4	Confident	111 Å²	111	55.1 Å²	55.1	68%	0.681	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.5	179.4	48.5	0	0	0	0	114	N47	T23-N47 PolarHBondContact O-ND2 3.38Å; T23-N47 VanDerWaalsContact O-ND2 3.14Å
24	D	80.9	Confident	83.3	Confident	139 Å²	139	52.3 Å²	52.3	74%	0.743	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	7	178	-157.3	45.4	0	0	0	113.2	P22 R26	P22-D24 PolarHBondContact O-N 3.23Å; P22-D24 VanDerWaalsContact O-N 3.15Å; D24-R26 PolarHBondContact O-N 3.47Å
25	V	82.6	Confident	83.9	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.042	28%	0.282	C	S	.	.			trans	-62.8	138.7	176.7	77.9	0	0	0	0	110.4	L21 P22 D29 L30 L45 P53	L21-V25 HydrophobicContact CB-CB 4.17Å; L21-V25 HydrophobicContact CB-CG1 3.71Å; L21-V25 HydrophobicContact CB-CG2 4.49Å; L21-V25 HydrophobicContact CD1-CG1 4.08Å; L21-V25 HydrophobicContact CD2-CG2 4.14Å; L21-V25 HydrophobicContact CG-CG1 4.37Å; P22-V25 HydrophobicContact CG-CB 3.99Å; P22-V25 VanDerWaalsContact O-CB 3.29Å; P22-V25 WeakPolarHBondContact O-CB 3.5Å; P22-V25 VanDerWaalsContact O-CG1 3.28Å; P22-V25 WeakPolarHBondContact O-CG1 3.5Å; P22-V25 PolarHBondContact O-N 3.23Å; V25-D29 HydrophobicContact CG2-CB 4.02Å; V25-L30 HydrophobicContact CG2-CG 4.21Å; V25-L45 HydrophobicContact CG1-CD1 3.66Å; V25-L45 HydrophobicContact CG1-CD2 4.15Å; V25-L45 WeakPolarHBondContact O-CD2 3.27Å; V25-P53 HydrophobicContact CG1-CB 4.47Å; V25-P53 HydrophobicContact CG1-CG 4.49Å
26	R	84.9	Confident	83.9	Confident	148 Å²	148	63.2 Å²	63.2	56%	0.558	30%	0.298	S	S	*	.			trans	-116.5	162.7	170.6	-56.9	170.2	-63.6	-179.1	-0.3	110.2	D24 K28 D29 L30	D24-R26 PolarHBondContact O-N 3.47Å; R26-K28 PolarHBondContact O-N 2.9Å; R26-D29 VanDerWaalsContact CB-OD2 3.28Å; R26-D29 WeakPolarHBondContact CB-OD2 3.3Å; R26-D29 PolarHBondContact N-OD2 2.84Å; R26-D29 IonicContact NE-OD2 2.79Å; R26-D29 PolarHBondContact NE-OD2 2.69Å; R26-D29 IonicContact NH2-OD1 2.71Å; R26-D29 IonicContact NH2-OD2 2.68Å; R26-D29 WeakPolarHBondContact O-CB 3.46Å; R26-D29 PolarHBondContact O-N 3.39Å; R26-L30 PolarHBondContact O-N 3.32Å
27	E	86.5	Confident	83.9	Confident	104 Å²	104	65.3 Å²	65.3	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-55.3	-36	175	-65.9	173.5	107	0	0	111.7	D29 L30 E31 I43 L45	E27-D29 VanDerWaalsContact C-N 3.29Å; E27-D29 PolarHBondContact O-N 3.24Å; E27-L30 WeakPolarHBondContact O-CB 2.94Å; E27-L30 PolarHBondContact O-N 2.74Å; E27-E31 PolarHBondContact O-N 3.03Å; E27-I43 HydrophobicContact CB-CG2 4.16Å; E27-I43 HydrophobicContact CG-CG2 4.07Å; E27-L45 HydrophobicContact CG-CB 3.64Å; E27-L45 HydrophobicContact CG-CD2 4.14Å
28	K	86.8	Confident	83.9	Confident	148 Å²	148	63.3 Å²	63.3	64%	0.643	30%	0.303	S	S	*	.	H	α-helix	trans	-61.2	-36	174.5	-171.5	176.1	-179	-179.8	0	113.2	R26 E31 D32	R26-K28 PolarHBondContact O-N 2.9Å; K28-E31 PolarHBondContact O-N 3.39Å; K28-D32 PolarHBondContact O-N 3.26Å
29	D	88.2	Confident	83.8	Confident	33 Å²	33	71 Å²	71	18%	0.176	33%	0.331	C	S	.	.	H	α-helix	trans	-71.8	-36.5	179.6	-58.6	-54.1	0	0	0	110.5	V25 R26 E27 L33 Y77	V25-D29 HydrophobicContact CG2-CB 4.02Å; R26-D29 VanDerWaalsContact CB-OD2 3.28Å; R26-D29 WeakPolarHBondContact CB-OD2 3.3Å; R26-D29 PolarHBondContact N-OD2 2.84Å; R26-D29 IonicContact NE-OD2 2.79Å; R26-D29 PolarHBondContact NE-OD2 2.69Å; R26-D29 IonicContact NH2-OD1 2.71Å; R26-D29 IonicContact NH2-OD2 2.68Å; R26-D29 WeakPolarHBondContact O-CB 3.46Å; R26-D29 PolarHBondContact O-N 3.39Å; E27-D29 VanDerWaalsContact C-N 3.29Å; E27-D29 PolarHBondContact O-N 3.24Å; D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.78Å; D29-Y77 WeakPolarHBondContact CB-OH 3.15Å
30	L	87.1	Confident	84	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-42.4	170.9	-67.6	167.7	0	0	0	111.6	V18 L21 V25 R26 E27 L33 F34 I43 L45 A55	V18-L30 HydrophobicContact CB-CD2 4.47Å; V18-L30 HydrophobicContact CG1-CD2 4.02Å; L21-L30 HydrophobicContact CD1-CD1 4.25Å; L21-L30 HydrophobicContact CD1-CD2 3.93Å; L21-L30 HydrophobicContact CD2-CD2 3.63Å; L21-L30 HydrophobicContact CG-CD2 4.45Å; V25-L30 HydrophobicContact CG2-CG 4.21Å; R26-L30 PolarHBondContact O-N 3.32Å; E27-L30 WeakPolarHBondContact O-CB 2.94Å; E27-L30 PolarHBondContact O-N 2.74Å; L30-L33 PolarHBondContact O-N 3.24Å; L30-F34 HydrophobicContact CB-CD2 4.44Å; L30-F34 HydrophobicContact CD2-CD2 4.36Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 2.93Å; L30-I43 HydrophobicContact CB-CD1 4.36Å; L30-I43 HydrophobicContact CB-CG2 4.27Å; L30-I43 HydrophobicContact CD1-CG2 3.84Å; L30-L45 HydrophobicContact CD1-CB 4.49Å; L30-L45 HydrophobicContact CD1-CD1 4.18Å; L30-A55 HydrophobicContact CD1-CB 3.22Å; L30-A55 HydrophobicContact CD2-CB 4.38Å; L30-A55 HydrophobicContact CG-CB 4.44Å
31	E	88.1	Confident	84.6	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-53.7	176.2	-171.3	177	78	0	0	110.5	E27 K28 L33 F34 Y35 I40 I43	E27-E31 PolarHBondContact O-N 3.03Å; K28-E31 PolarHBondContact O-N 3.39Å; E31-L33 VanDerWaalsContact C-N 3.28Å; E31-L33 PolarHBondContact O-N 2.8Å; E31-F34 PolarHBondContact O-N 2.84Å; E31-Y35 WeakPolarHBondContact O-CA 3.48Å; E31-Y35 WeakPolarHBondContact O-CB 3.33Å; E31-Y35 PolarHBondContact O-N 3.37Å; E31-I40 HydrophobicContact CB-CD1 4.47Å; E31-I40 HydrophobicContact CG-CD1 4.24Å; E31-I43 HydrophobicContact CB-CD1 3.68Å; E31-I43 HydrophobicContact CG-CD1 4.35Å
32	D	87.2	Confident	84.9	Confident	134 Å²	134	83.7 Å²	83.7	72%	0.717	38%	0.384	S	S	*	.	H	α-helix	trans	-58.5	-41	178.3	-169.7	-88.1	0	0	0	112.2	K28 F34	K28-D32 PolarHBondContact O-N 3.26Å; D32-F34 PolarHBondContact O-N 2.99Å
33	L	85.1	Confident	85.6	Confident	6 Å²	6	83.7 Å²	83.7	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-39.4	-178.5	-168.9	81.5	0	0	0	113.1	D29 L30 E31 R72 Y75 Y77 L82	D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.78Å; L30-L33 PolarHBondContact O-N 3.24Å; E31-L33 VanDerWaalsContact C-N 3.28Å; E31-L33 PolarHBondContact O-N 2.8Å; L33-R72 PolarHBondContact O-NE 3.25Å; L33-R72 VanDerWaalsContact O-NE 3.16Å; L33-R72 PolarHBondContact O-NH2 3.4Å; L33-Y75 HydrophobicContact CD1-CD1 4.19Å; L33-Y75 HydrophobicContact CD1-CE1 3.98Å; L33-Y77 HydrophobicContact CD1-CD2 3.71Å; L33-Y77 HydrophobicContact CD1-CE2 3.92Å; L33-L82 HydrophobicContact CD1-CD1 4.44Å; L33-L82 HydrophobicContact CD2-CD1 3.18Å; L33-L82 HydrophobicContact CG-CD1 4.41Å
34	F	86.6	Confident	86.2	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-101.3	-20.3	-171.8	-73.8	-68.6	0	0	0	114.1	I16 V18 L30 E31 D32 K36 Y37 I40 V57 F59 A68 R72 V84	I16-F34 HydrophobicContact CD1-CD1 3.77Å; I16-F34 HydrophobicContact CD1-CE1 3.43Å; I16-F34 VanDerWaalsContact CD1-CE1 3.43Å; I16-F34 HydrophobicContact CD1-CE2 4.46Å; I16-F34 HydrophobicContact CD1-CG 4.41Å; I16-F34 HydrophobicContact CD1-CZ 3.84Å; V18-F34 HydrophobicContact CB-CE2 4.29Å; V18-F34 HydrophobicContact CB-CZ 4.31Å; V18-F34 HydrophobicContact CG1-CE2 3.88Å; V18-F34 HydrophobicContact CG1-CZ 3.87Å; V18-F34 HydrophobicContact CG2-CE1 4.38Å; V18-F34 HydrophobicContact CG2-CE2 3.5Å; V18-F34 VanDerWaalsContact CG2-CE2 3.5Å; V18-F34 HydrophobicContact CG2-CZ 3.41Å; V18-F34 VanDerWaalsContact CG2-CZ 3.41Å; L30-F34 HydrophobicContact CB-CD2 4.44Å; L30-F34 HydrophobicContact CD2-CD2 4.36Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 2.93Å; E31-F34 PolarHBondContact O-N 2.84Å; D32-F34 PolarHBondContact O-N 2.99Å; F34-K36 PolarHBondContact O-N 3.1Å; F34-K36 VanDerWaalsContact O-N 3.07Å; F34-Y37 HydrophobicContact CD1-CD2 4.25Å; F34-Y37 PolarHBondContact O-N 3.06Å; F34-I40 HydrophobicContact CB-CD1 3.73Å; F34-I40 HydrophobicContact CB-CG1 4.43Å; F34-V57 HydrophobicContact CB-CG1 4.37Å; F34-V57 HydrophobicContact CD2-CG2 3.97Å; F34-V57 HydrophobicContact CE2-CG2 4.21Å; F34-V57 HydrophobicContact CG-CG1 4.45Å; F34-F59 HydrophobicContact CB-CE1 4.34Å; F34-F59 HydrophobicContact CB-CZ 3.83Å; F34-F59 AromaticContact CD1-CZ 3.98Å; F34-F59 HydrophobicContact CD1-CZ 3.98Å; F34-F59 HydrophobicContact CG-CZ 4.22Å; F34-A68 HydrophobicContact CD1-CB 3.86Å; F34-A68 HydrophobicContact CE1-CB 4.12Å; F34-R72 HydrophobicContact CD1-CG 4.25Å; F34-R72 HydrophobicContact CE1-CB 3.87Å; F34-R72 HydrophobicContact CE1-CG 3.79Å; F34-R72 HydrophobicContact CZ-CB 4.32Å; F34-R72 HydrophobicContact CZ-CG 4.43Å; F34-V84 HydrophobicContact CE1-CG1 4.12Å; F34-V84 HydrophobicContact CE1-CG2 4.23Å; F34-V84 HydrophobicContact CZ-CG1 4.28Å; F34-V84 HydrophobicContact CZ-CG2 3.89Å
35	Y	86.1	Confident	86.4	Confident	162 Å²	162	76.6 Å²	76.6	64%	0.635	34%	0.338	S	S	*	.	H	α-helix	trans	-55.3	-30.8	-179.5	177.1	-94	0	0	0	112.7	E31 Y37 G38	E31-Y35 WeakPolarHBondContact O-CA 3.48Å; E31-Y35 WeakPolarHBondContact O-CB 3.33Å; E31-Y35 PolarHBondContact O-N 3.37Å; Y35-Y37 PolarHBondContact O-N 3.05Å; Y35-G38 PolarHBondContact O-N 2.63Å
36	K	86.4	Confident	86.5	Confident	127 Å²	127	79.8 Å²	79.8	55%	0.552	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.4	177.8	72.7	177.9	-168.1	176.9	0	114.9	F34 R72	F34-K36 PolarHBondContact O-N 3.1Å; F34-K36 VanDerWaalsContact O-N 3.07Å; K36-R72 VanDerWaalsContact CE-CZ 3.42Å; K36-R72 VanDerWaalsContact NZ-NH2 3.11Å
37	Y	85.6	Confident	86	Confident	45 Å²	45	76.4 Å²	76.4	18%	0.176	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-29	178.1	-61.8	-79.7	0	0	0	112	F34 Y35 D64 D67 A68 G71 R72	F34-Y37 HydrophobicContact CD1-CD2 4.25Å; F34-Y37 PolarHBondContact O-N 3.06Å; Y35-Y37 PolarHBondContact O-N 3.05Å; Y37-D64 WeakPolarHBondContact O-CB 3.26Å; Y37-D67 HydrophobicContact CD1-CB 4.03Å; Y37-D67 WeakPolarHBondContact CE1-O 3.43Å; Y37-A68 HydrophobicContact CD1-CB 4.47Å; Y37-A68 HydrophobicContact CD2-CB 3.94Å; Y37-A68 HydrophobicContact CG-CB 3.9Å; Y37-G71 VanDerWaalsContact OH-C 3.24Å; Y37-G71 WeakPolarHBondContact OH-CA 3.47Å; Y37-G71 PolarHBondContact OH-O 2.73Å; Y37-R72 HydrophobicContact CD2-CG 4.41Å; Y37-R72 HydrophobicContact CE2-CG 3.34Å; Y37-R72 WeakPolarHBondContact OH-CD 3.3Å; Y37-R72 WeakPolarHBondContact OH-CG 3.28Å; Y37-R72 PolarHBondContact OH-NE 2.77Å
38	G	85.3	Confident	85.1	Confident	13 Å²	13	79.7 Å²	79.7	13%	0.134	35%	0.352	C	S	.	.	S	Bend	trans	175.1	171	-173.4	0	0	0	0	0	113.7	Y35 I40 D64	Y35-G38 PolarHBondContact O-N 2.63Å; G38-I40 PolarHBondContact O-N 2.87Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å
39	R	85.5	Confident	83.6	Confident	160 Å²	160	82 Å²	82	60%	0.604	37%	0.365	S	S	*	.			trans	-72.3	123.6	175.9	-70.2	-165.1	-66.9	-148.3	-5.9	109.8	F59 E60	R39-F59 WeakPolarHBondContact O-CA 3.19Å; R39-E60 HydrophobicContact CB-CB 4.18Å; R39-E60 IonicContact CZ-OE1 2.75Å; R39-E60 IonicContact CZ-OE2 3.76Å; R39-E60 IonicContact NE-OE1 3.66Å; R39-E60 IonicContact NE-OE2 2.78Å; R39-E60 PolarHBondContact NE-OE2 3.19Å; R39-E60 IonicContact NH2-OE1 3.89Å; R39-E60 PolarHBondContact NH2-OE1 3.29Å; R39-E60 IonicContact NH2-OE2 3.21Å; R39-E60 PolarHBondContact NH2-OE2 2.74Å; R39-E60 PolarHBondContact O-N 2.82Å
40	I	87.8	Confident	82.1	Confident	36 Å²	36	84.4 Å²	84.4	19%	0.185	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.9	178.8	-57.3	167.6	0	0	0	108.5	E31 F34 G38 I43 V57 R58 F59	E31-I40 HydrophobicContact CB-CD1 4.47Å; E31-I40 HydrophobicContact CG-CD1 4.24Å; F34-I40 HydrophobicContact CB-CD1 3.73Å; F34-I40 HydrophobicContact CB-CG1 4.43Å; G38-I40 PolarHBondContact O-N 2.87Å; I40-I43 HydrophobicContact CD1-CD1 4.28Å; I40-I43 HydrophobicContact CG2-CD1 4.05Å; I40-I43 HydrophobicContact CG2-CG1 3.51Å; I40-V57 HydrophobicContact CD1-CG1 4.23Å; I40-V57 HydrophobicContact CG1-CG1 4.1Å; I40-V57 HydrophobicContact CG2-CG1 3.75Å; I40-R58 CarbonylContact C-O 3.56Å; I40-F59 HydrophobicContact CG1-CD1 4.35Å; I40-F59 HydrophobicContact CG1-CE1 4.07Å
41	R	87.3	Confident	81	Confident	164 Å²	164	88.7 Å²	88.7	62%	0.619	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	-39.1	176.6	-178	176.9	174.8	171.8	1.3	111.9	R58	R41-R58 HydrophobicContact CB-CG 4.5Å; R41-R58 WeakPolarHBondContact CB-O 2.82Å; R41-R58 PolarHBondContact N-O 2.79Å
42	E	86.2	Confident	80.1	Confident	89 Å²	89	85.7 Å²	85.7	42%	0.416	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	138.7	-173.6	-172.9	176.5	-158.8	0	0	110.5	R58	E42-R58 HydrophobicContact CB-CB 4.09Å; E42-R58 PolarHBondContact N-O 2.81Å; E42-R58 PolarHBondContact O-N 2.74Å
43	I	88.3	Confident	79.7	Confident	28 Å²	28	79.4 Å²	79.4	14%	0.144	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	170.4	-57.4	177.3	0	0	0	107	E27 L30 E31 I40 F56 V57	E27-I43 HydrophobicContact CB-CG2 4.16Å; E27-I43 HydrophobicContact CG-CG2 4.07Å; L30-I43 HydrophobicContact CB-CD1 4.36Å; L30-I43 HydrophobicContact CB-CG2 4.27Å; L30-I43 HydrophobicContact CD1-CG2 3.84Å; E31-I43 HydrophobicContact CB-CD1 3.68Å; E31-I43 HydrophobicContact CG-CD1 4.35Å; I40-I43 HydrophobicContact CD1-CD1 4.28Å; I40-I43 HydrophobicContact CG2-CD1 4.05Å; I40-I43 HydrophobicContact CG2-CG1 3.51Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.17Å; I43-V57 HydrophobicContact CG2-CG2 4.46Å
44	E	86.9	Confident	79.7	Confident	60 Å²	60	81.6 Å²	81.6	28%	0.28	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	92.1	176.3	-173.6	-178.1	171.7	0	0	108.7	K46 A55 F56	E44-K46 WeakPolarHBondContact OE1-CE 3.22Å; E44-K46 IonicContact OE1-NZ 2.63Å; E44-K46 PolarHBondContact OE1-NZ 2.95Å; E44-A55 CarbonylContact O-C 3.59Å; E44-A55 WeakPolarHBondContact O-CA 3.48Å; E44-F56 HydrophobicContact CB-CB 4.28Å; E44-F56 PolarHBondContact N-O 2.75Å; E44-F56 PolarHBondContact O-N 2.89Å
45	L	86.8	Confident	79.7	Confident	40 Å²	40	81.6 Å²	81.6	21%	0.209	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124	176.3	177.1	62.9	0	0	0	111.1	L21 V25 E27 L30 A55	L21-L45 HydrophobicContact CD1-CD1 4.1Å; V25-L45 HydrophobicContact CG1-CD1 3.66Å; V25-L45 HydrophobicContact CG1-CD2 4.15Å; V25-L45 WeakPolarHBondContact O-CD2 3.27Å; E27-L45 HydrophobicContact CG-CB 3.64Å; E27-L45 HydrophobicContact CG-CD2 4.14Å; L30-L45 HydrophobicContact CD1-CB 4.49Å; L30-L45 HydrophobicContact CD1-CD1 4.18Å; L45-A55 HydrophobicContact CB-CB 4.45Å; L45-A55 HydrophobicContact CD1-CB 4.03Å
46	K	83	Confident	79.8	Confident	75 Å²	75	76.2 Å²	76.2	33%	0.326	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	92.9	173.1	-62.4	-55.1	-171.2	-154	0	110.1	E44 F54	E44-K46 WeakPolarHBondContact OE1-CE 3.22Å; E44-K46 IonicContact OE1-NZ 2.63Å; E44-K46 PolarHBondContact OE1-NZ 2.95Å; K46-F54 CarbonylContact C-O 3.57Å; K46-F54 WeakPolarHBondContact CA-O 3.29Å; K46-F54 HydrophobicContact CB-CD1 4.14Å; K46-F54 HydrophobicContact CB-CD2 3.91Å; K46-F54 HydrophobicContact CB-CE1 3.75Å; K46-F54 HydrophobicContact CB-CE2 3.49Å; K46-F54 VanDerWaalsContact CB-CE2 3.49Å; K46-F54 HydrophobicContact CB-CG 4.23Å; K46-F54 HydrophobicContact CB-CZ 3.41Å; K46-F54 VanDerWaalsContact CB-CZ 3.41Å; K46-F54 WeakPolarHBondContact CB-O 3.41Å; K46-F54 HydrophobicContact CG-CD2 4.21Å; K46-F54 HydrophobicContact CG-CE2 3.52Å; K46-F54 HydrophobicContact CG-CZ 3.72Å; K46-F54 PolarHBondContact N-O 3.07Å; K46-F54 PolarHBondContact O-N 2.88Å; K46-F54 VanDerWaalsContact O-N 3.15Å
47	N	74.7	Confident	79.9	Confident	76 Å²	76	70.1 Å²	70.1	41%	0.406	34%	0.338	S	S	.	.			trans	-101.2	100	169.1	-169.9	-0.9	0	0	0	109	T23 P53	T23-N47 PolarHBondContact O-ND2 3.38Å; T23-N47 VanDerWaalsContact O-ND2 3.14Å; N47-P53 HydrophobicContact CB-CB 4.2Å
48	R	67.2	Low	80	Confident	173 Å²	173	69.3 Å²	69.3	65%	0.653	34%	0.335	S	S	*	.			trans	-102.7	129	172.4	-66.6	-149	-163	-113.7	9.4	109	G50 L51	R48-G50 PolarHBondContact O-N 3.29Å; R48-G50 VanDerWaalsContact O-N 3.15Å; R48-L51 HydrophobicContact CB-CD1 4.28Å; R48-L51 PolarHBondContact O-N 2.7Å
49	H	56.8	Low	80.1	Confident	196 Å²	196	68.7 Å²	68.7	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	120.3	178.9	-90.1	-116.4	0	0	0	111.8
50	G	56.3	Low	80	Confident	85 Å²	85	66.5 Å²	66.5	88%	0.876	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-1.4	178.3	0	0	0	0	0	115.5	R48	R48-G50 PolarHBondContact O-N 3.29Å; R48-G50 VanDerWaalsContact O-N 3.15Å
51	L	63.3	Low	79.7	Confident	91 Å²	91	66.7 Å²	66.7	48%	0.476	33%	0.327	S	S	.	.	S	Bend	trans	-112.4	148.3	170.7	-62.9	177.9	0	0	0	109.7	R48	R48-L51 HydrophobicContact CB-CD1 4.28Å; R48-L51 PolarHBondContact O-N 2.7Å
52	V	69.9	Low	79.4	Confident	39 Å²	39	61.7 Å²	61.7	24%	0.236	32%	0.315	C	S	.	.			trans	-58.5	122.3	172.1	-178	0	0	0	0	108.3
53	P	79.5	Confident	79.3	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.013	32%	0.324	C	S	.	.			trans	-65.4	145.8	-177.8	24.9	-31	0	0	0	110.3	L21 P22 V25 N47	L21-P53 HydrophobicContact CB-CB 4.33Å; L21-P53 HydrophobicContact CB-CG 3.97Å; L21-P53 WeakPolarHBondContact CB-O 3.49Å; L21-P53 PolarHBondContact N-O 3.48Å; L21-P53 VanDerWaalsContact N-O 3.17Å; L21-P53 VanDerWaalsContact O-CD 3.29Å; L21-P53 WeakPolarHBondContact O-CD 3.48Å; L21-P53 WeakPolarHBondContact O-CG 3.31Å; P22-P53 VanDerWaalsContact O-CG 3.27Å; P22-P53 WeakPolarHBondContact O-CG 3.37Å; V25-P53 HydrophobicContact CG1-CB 4.47Å; V25-P53 HydrophobicContact CG1-CG 4.49Å; N47-P53 HydrophobicContact CB-CB 4.2Å
54	F	84.1	Confident	79.1	Confident	53 Å²	53	65.4 Å²	65.4	23%	0.232	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.7	175.5	64.2	-87.7	0	0	0	109.3	Y17 V18 K46 F56	Y17-F54 HydrophobicContact CD2-CD2 4.26Å; Y17-F54 HydrophobicContact CE2-CB 3.63Å; Y17-F54 AromaticContact CE2-CD2 3.68Å; Y17-F54 HydrophobicContact CE2-CD2 3.68Å; Y17-F54 AromaticContact CE2-CG 3.82Å; Y17-F54 HydrophobicContact CE2-CG 3.82Å; V18-F54 CarbonylContact O-C 3.59Å; V18-F54 WeakPolarHBondContact O-CA 3.36Å; K46-F54 CarbonylContact C-O 3.57Å; K46-F54 WeakPolarHBondContact CA-O 3.29Å; K46-F54 HydrophobicContact CB-CD1 4.14Å; K46-F54 HydrophobicContact CB-CD2 3.91Å; K46-F54 HydrophobicContact CB-CE1 3.75Å; K46-F54 HydrophobicContact CB-CE2 3.49Å; K46-F54 VanDerWaalsContact CB-CE2 3.49Å; K46-F54 HydrophobicContact CB-CG 4.23Å; K46-F54 HydrophobicContact CB-CZ 3.41Å; K46-F54 VanDerWaalsContact CB-CZ 3.41Å; K46-F54 WeakPolarHBondContact CB-O 3.41Å; K46-F54 HydrophobicContact CG-CD2 4.21Å; K46-F54 HydrophobicContact CG-CE2 3.52Å; K46-F54 HydrophobicContact CG-CZ 3.72Å; K46-F54 PolarHBondContact N-O 3.07Å; K46-F54 PolarHBondContact O-N 2.88Å; K46-F54 VanDerWaalsContact O-N 3.15Å; F54-F56 HydrophobicContact CD2-CE2 4.03Å; F54-F56 HydrophobicContact CD2-CZ 4.37Å; F54-F56 HydrophobicContact CE2-CD2 4.44Å; F54-F56 AromaticContact CE2-CE2 3.66Å; F54-F56 HydrophobicContact CE2-CE2 3.66Å; F54-F56 HydrophobicContact CE2-CZ 4.15Å
55	A	87.1	Confident	79	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	176.3	0	0	0	0	0	111.1	V18 L21 L30 E44 L45	V18-A55 HydrophobicContact CB-CB 4.47Å; V18-A55 PolarHBondContact N-O 2.99Å; V18-A55 PolarHBondContact O-N 3.44Å; L21-A55 HydrophobicContact CD1-CB 3.8Å; L30-A55 HydrophobicContact CD1-CB 3.22Å; L30-A55 HydrophobicContact CD2-CB 4.38Å; L30-A55 HydrophobicContact CG-CB 4.44Å; E44-A55 CarbonylContact O-C 3.59Å; E44-A55 WeakPolarHBondContact O-CA 3.48Å; L45-A55 HydrophobicContact CB-CB 4.45Å; L45-A55 HydrophobicContact CD1-CB 4.03Å
56	F	87.5	Confident	78.7	Confident	48 Å²	48	66 Å²	66	21%	0.211	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.9	163.2	-61.1	-80	0	0	0	108.5	R15 I16 Y17 I43 E44 F54 P87	R15-F56 HydrophobicContact CG-CB 4.33Å; I16-F56 CarbonylContact O-C 3.52Å; I16-F56 VanDerWaalsContact O-CA 3.27Å; I16-F56 WeakPolarHBondContact O-CA 3.41Å; Y17-F56 HydrophobicContact CD2-CD1 4.2Å; Y17-F56 AromaticContact CD2-CE1 3.6Å; Y17-F56 HydrophobicContact CD2-CE1 3.6Å; Y17-F56 AromaticContact CD2-CZ 3.96Å; Y17-F56 HydrophobicContact CD2-CZ 3.96Å; Y17-F56 HydrophobicContact CG-CE1 4.29Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.17Å; E44-F56 HydrophobicContact CB-CB 4.28Å; E44-F56 PolarHBondContact N-O 2.75Å; E44-F56 PolarHBondContact O-N 2.89Å; F54-F56 HydrophobicContact CD2-CE2 4.03Å; F54-F56 HydrophobicContact CD2-CZ 4.37Å; F54-F56 HydrophobicContact CE2-CD2 4.44Å; F54-F56 AromaticContact CE2-CE2 3.66Å; F54-F56 HydrophobicContact CE2-CE2 3.66Å; F54-F56 HydrophobicContact CE2-CZ 4.15Å; F56-P87 HydrophobicContact CD1-CB 4.12Å; F56-P87 HydrophobicContact CE1-CB 3.85Å
57	V	89	Confident	78.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.4	175.6	179.2	0	0	0	0	106.9	R15 I16 V18 F34 I40 I43 F59	R15-V57 CarbonylContact C-O 3.49Å; R15-V57 WeakPolarHBondContact CA-O 3.45Å; I16-V57 HydrophobicContact CD1-CB 4Å; I16-V57 HydrophobicContact CD1-CG1 4.49Å; I16-V57 HydrophobicContact CG1-CB 3.67Å; I16-V57 HydrophobicContact CG1-CG1 4.42Å; I16-V57 VanDerWaalsContact CG1-O 3.29Å; I16-V57 WeakPolarHBondContact CG1-O 3.45Å; I16-V57 PolarHBondContact N-O 3.4Å; I16-V57 PolarHBondContact O-N 2.79Å; V18-V57 HydrophobicContact CG2-CG2 3.91Å; F34-V57 HydrophobicContact CB-CG1 4.37Å; F34-V57 HydrophobicContact CD2-CG2 3.97Å; F34-V57 HydrophobicContact CE2-CG2 4.21Å; F34-V57 HydrophobicContact CG-CG1 4.45Å; I40-V57 HydrophobicContact CD1-CG1 4.23Å; I40-V57 HydrophobicContact CG1-CG1 4.1Å; I40-V57 HydrophobicContact CG2-CG1 3.75Å; I43-V57 HydrophobicContact CG2-CG2 4.46Å; V57-F59 HydrophobicContact CG1-CD2 4.49Å; V57-F59 HydrophobicContact CG1-CE2 4.07Å; V57-F59 HydrophobicContact CG1-CZ 4.29Å
58	R	87.9	Confident	79.1	Confident	27 Å²	27	63.2 Å²	63.2	10%	0.102	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.6	176.8	-170.2	-179.6	-177.8	175.1	0.2	109	D13 G14 R15 I40 R41 E42	D13-R58 VanDerWaalsContact O-CG 3.3Å; D13-R58 WeakPolarHBondContact O-CG 3.07Å; D13-R58 PolarHBondContact O-NE 3.39Å; D13-R58 IonicContact OD1-CZ 3.74Å; D13-R58 IonicContact OD1-NE 3.43Å; D13-R58 IonicContact OD1-NH2 3.37Å; D13-R58 PolarHBondContact OD1-NH2 2.89Å; D13-R58 IonicContact OD2-NH2 3Å; D13-R58 PolarHBondContact OD2-NH2 3.43Å; G14-R58 WeakPolarHBondContact O-CA 3.04Å; R15-R58 HydrophobicContact CB-CG 4.43Å; I40-R58 CarbonylContact C-O 3.56Å; R41-R58 HydrophobicContact CB-CG 4.5Å; R41-R58 WeakPolarHBondContact CB-O 2.82Å; R41-R58 PolarHBondContact N-O 2.79Å; E42-R58 HydrophobicContact CB-CB 4.09Å; E42-R58 PolarHBondContact N-O 2.81Å; E42-R58 PolarHBondContact O-N 2.74Å
59	F	87.3	Confident	79.9	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.8	170.7	-69.4	-86.6	0	0	0	111.2	G14 I16 F34 R39 I40 V57 D61 D64 A65 A68	G14-F59 PolarHBondContact O-N 3.21Å; I16-F59 HydrophobicContact CD1-CE2 3.61Å; I16-F59 HydrophobicContact CD1-CZ 4.36Å; I16-F59 HydrophobicContact CG1-CD2 4.47Å; I16-F59 HydrophobicContact CG1-CE2 3.95Å; I16-F59 HydrophobicContact CG2-CD2 4.46Å; I16-F59 HydrophobicContact CG2-CE2 4.33Å; F34-F59 HydrophobicContact CB-CE1 4.34Å; F34-F59 HydrophobicContact CB-CZ 3.83Å; F34-F59 AromaticContact CD1-CZ 3.98Å; F34-F59 HydrophobicContact CD1-CZ 3.98Å; F34-F59 HydrophobicContact CG-CZ 4.22Å; R39-F59 WeakPolarHBondContact O-CA 3.19Å; I40-F59 HydrophobicContact CG1-CD1 4.35Å; I40-F59 HydrophobicContact CG1-CE1 4.07Å; V57-F59 HydrophobicContact CG1-CD2 4.49Å; V57-F59 HydrophobicContact CG1-CE2 4.07Å; V57-F59 HydrophobicContact CG1-CZ 4.29Å; F59-D61 VanDerWaalsContact CB-O 3.3Å; F59-D61 WeakPolarHBondContact CB-O 3.43Å; F59-D64 HydrophobicContact CB-CB 4.04Å; F59-D64 HydrophobicContact CD1-CB 3.66Å; F59-D64 HydrophobicContact CE1-CB 4.29Å; F59-D64 HydrophobicContact CG-CB 3.9Å; F59-A65 HydrophobicContact CB-CB 4.46Å; F59-A65 HydrophobicContact CD2-CB 3.75Å; F59-A65 HydrophobicContact CE2-CB 4.46Å; F59-A65 HydrophobicContact CG-CB 4.42Å; F59-A68 HydrophobicContact CE2-CB 3.58Å; F59-A68 HydrophobicContact CZ-CB 3.51Å
60	E	83.7	Confident	81	Confident	114 Å²	114	57 Å²	57	53%	0.533	29%	0.288	S	S	.	.	S	Bend	trans	-67.5	-42.5	169.8	-169.7	-175.9	129.9	0	0	110.8	R39	R39-E60 HydrophobicContact CB-CB 4.18Å; R39-E60 IonicContact CZ-OE1 2.75Å; R39-E60 IonicContact CZ-OE2 3.76Å; R39-E60 IonicContact NE-OE1 3.66Å; R39-E60 IonicContact NE-OE2 2.78Å; R39-E60 PolarHBondContact NE-OE2 3.19Å; R39-E60 IonicContact NH2-OE1 3.89Å; R39-E60 PolarHBondContact NH2-OE1 3.29Å; R39-E60 IonicContact NH2-OE2 3.21Å; R39-E60 PolarHBondContact NH2-OE2 2.74Å; R39-E60 PolarHBondContact O-N 2.82Å
61	D	82	Confident	82	Confident	40 Å²	40	54.6 Å²	54.6	21%	0.214	26%	0.264	C	S	.	.	S	Bend	trans	-104	129.5	176.5	-161.4	-48.1	0	0	0	110.4	F59 R63 D64	F59-D61 VanDerWaalsContact CB-O 3.3Å; F59-D61 WeakPolarHBondContact CB-O 3.43Å; D61-R63 PolarHBondContact O-N 3.38Å; D61-R63 VanDerWaalsContact OD1-CB 3.29Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.23Å; D61-R63 IonicContact OD1-CZ 3.49Å; D61-R63 PolarHBondContact OD1-N 3.24Å; D61-R63 IonicContact OD1-NE 3.58Å; D61-R63 PolarHBondContact OD1-NE 2.98Å; D61-R63 IonicContact OD1-NH2 3.58Å; D61-R63 IonicContact OD2-CZ 2.82Å; D61-R63 IonicContact OD2-NE 3.41Å; D61-R63 PolarHBondContact OD2-NE 2.77Å; D61-R63 IonicContact OD2-NH2 2.72Å; D61-R63 PolarHBondContact OD2-NH2 3.27Å; D61-D64 HydrophobicContact CB-CB 4.45Å; D61-D64 WeakPolarHBondContact CB-OD2 3.26Å; D61-D64 WeakPolarHBondContact O-CB 3.21Å; D61-D64 PolarHBondContact O-N 3.31Å
62	P	81.1	Confident	82.8	Confident	58 Å²	58	51 Å²	51	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-22.2	175	25.3	-34.7	0	0	0	114.1	A65 E66	P62-A65 WeakPolarHBondContact O-CB 3.4Å; P62-A65 PolarHBondContact O-N 3.41Å; P62-E66 PolarHBondContact O-N 3.22Å
63	R	82.4	Confident	83.1	Confident	161 Å²	161	52 Å²	52	61%	0.608	25%	0.248	S	C	*	.	H	α-helix	trans	-70.4	-37.8	176.3	-63.6	174.8	-70.4	175.6	1.4	111.6	D61 A65 E66 D67	D61-R63 PolarHBondContact O-N 3.38Å; D61-R63 VanDerWaalsContact OD1-CB 3.29Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.23Å; D61-R63 IonicContact OD1-CZ 3.49Å; D61-R63 PolarHBondContact OD1-N 3.24Å; D61-R63 IonicContact OD1-NE 3.58Å; D61-R63 PolarHBondContact OD1-NE 2.98Å; D61-R63 IonicContact OD1-NH2 3.58Å; D61-R63 IonicContact OD2-CZ 2.82Å; D61-R63 IonicContact OD2-NE 3.41Å; D61-R63 PolarHBondContact OD2-NE 2.77Å; D61-R63 IonicContact OD2-NH2 2.72Å; D61-R63 PolarHBondContact OD2-NH2 3.27Å; R63-A65 PolarHBondContact O-N 3.15Å; R63-E66 WeakPolarHBondContact O-CB 3.39Å; R63-E66 PolarHBondContact O-N 2.97Å; R63-D67 PolarHBondContact O-N 2.85Å
64	D	85.6	Confident	82.5	Confident	34 Å²	34	52.6 Å²	52.6	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-32.7	176	-57.9	-10.6	0	0	0	110.9	Y37 G38 F59 D61 A68	Y37-D64 WeakPolarHBondContact O-CB 3.26Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å; F59-D64 HydrophobicContact CB-CB 4.04Å; F59-D64 HydrophobicContact CD1-CB 3.66Å; F59-D64 HydrophobicContact CE1-CB 4.29Å; F59-D64 HydrophobicContact CG-CB 3.9Å; D61-D64 HydrophobicContact CB-CB 4.45Å; D61-D64 WeakPolarHBondContact CB-OD2 3.26Å; D61-D64 WeakPolarHBondContact O-CB 3.21Å; D61-D64 PolarHBondContact O-N 3.31Å; D64-A68 WeakPolarHBondContact O-CB 2.98Å; D64-A68 PolarHBondContact O-N 3.16Å
65	A	83.4	Confident	82.1	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-40.2	174.8	0	0	0	0	0	112.4	G14 I16 F59 P62 R63 A68 I69 F86	G14-A65 WeakPolarHBondContact O-CB 3.39Å; I16-A65 HydrophobicContact CG2-CB 3.59Å; F59-A65 HydrophobicContact CB-CB 4.46Å; F59-A65 HydrophobicContact CD2-CB 3.75Å; F59-A65 HydrophobicContact CE2-CB 4.46Å; F59-A65 HydrophobicContact CG-CB 4.42Å; P62-A65 WeakPolarHBondContact O-CB 3.4Å; P62-A65 PolarHBondContact O-N 3.41Å; R63-A65 PolarHBondContact O-N 3.15Å; A65-A68 PolarHBondContact O-N 2.85Å; A65-I69 WeakPolarHBondContact O-CD1 3.36Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.77Å; A65-F86 HydrophobicContact CB-CE1 4.34Å
66	E	81.1	Confident	81.4	Confident	113 Å²	113	60.3 Å²	60.3	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-46.5	174.7	-72.1	-179.9	102.7	0	0	111.3	P62 R63 A68 I69 Y70 F86	P62-E66 PolarHBondContact O-N 3.22Å; R63-E66 WeakPolarHBondContact O-CB 3.39Å; R63-E66 PolarHBondContact O-N 2.97Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 3.29Å; E66-I69 PolarHBondContact O-N 2.92Å; E66-Y70 PolarHBondContact O-N 2.86Å; E66-F86 HydrophobicContact CG-CE2 4.31Å; E66-F86 HydrophobicContact CG-CZ 3.64Å
67	D	82.4	Confident	80.6	Confident	93 Å²	93	61.1 Å²	61.1	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-39	177.3	-77.6	-40.5	0	0	0	111.7	Y37 R63 Y70 G71	Y37-D67 HydrophobicContact CD1-CB 4.03Å; Y37-D67 WeakPolarHBondContact CE1-O 3.43Å; R63-D67 PolarHBondContact O-N 2.85Å; D67-Y70 PolarHBondContact O-N 3.47Å; D67-G71 PolarHBondContact O-N 3.46Å
68	A	84.6	Confident	79.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174.3	0	0	0	0	0	112.1	I16 F34 Y37 F59 D64 A65 E66 R72	I16-A68 HydrophobicContact CD1-CB 4.1Å; F34-A68 HydrophobicContact CD1-CB 3.86Å; F34-A68 HydrophobicContact CE1-CB 4.12Å; Y37-A68 HydrophobicContact CD1-CB 4.47Å; Y37-A68 HydrophobicContact CD2-CB 3.94Å; Y37-A68 HydrophobicContact CG-CB 3.9Å; F59-A68 HydrophobicContact CE2-CB 3.58Å; F59-A68 HydrophobicContact CZ-CB 3.51Å; D64-A68 WeakPolarHBondContact O-CB 2.98Å; D64-A68 PolarHBondContact O-N 3.16Å; A65-A68 PolarHBondContact O-N 2.85Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 3.29Å; A68-R72 VanDerWaalsContact O-CB 3.26Å; A68-R72 WeakPolarHBondContact O-CB 3.39Å; A68-R72 PolarHBondContact O-N 2.74Å
69	I	82.7	Confident	78.6	Confident	27 Å²	27	70.5 Å²	70.5	14%	0.138	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-50.5	174.3	-72.5	161.5	0	0	0	109.8	I16 A65 E66 G71 N73 V84 F86	I16-I69 HydrophobicContact CB-CG1 4.41Å; I16-I69 HydrophobicContact CG2-CD1 3.78Å; I16-I69 HydrophobicContact CG2-CG1 3.83Å; A65-I69 WeakPolarHBondContact O-CD1 3.36Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.77Å; E66-I69 PolarHBondContact O-N 2.92Å; I69-G71 VanDerWaalsContact C-N 3.3Å; I69-G71 PolarHBondContact O-N 3.24Å; I69-N73 WeakPolarHBondContact O-CB 3.28Å; I69-N73 PolarHBondContact O-N 2.73Å; I69-V84 HydrophobicContact CB-CG1 4.43Å; I69-V84 HydrophobicContact CG1-CG1 3.8Å; I69-F86 HydrophobicContact CD1-CD1 3.77Å; I69-F86 HydrophobicContact CD1-CD2 3.48Å; I69-F86 VanDerWaalsContact CD1-CD2 3.48Å; I69-F86 HydrophobicContact CD1-CE1 3.61Å; I69-F86 HydrophobicContact CD1-CE2 3.32Å; I69-F86 HydrophobicContact CD1-CG 3.7Å; I69-F86 HydrophobicContact CD1-CZ 3.39Å
70	Y	79.7	Confident	77.6	Confident	210 Å²	210	71.8 Å²	71.8	82%	0.824	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-38.2	-177.5	-170.7	-99.2	0	0	0	112.1	E66 D67	E66-Y70 PolarHBondContact O-N 2.86Å; D67-Y70 PolarHBondContact O-N 3.47Å
71	G	77.4	Confident	76.8	Confident	35 Å²	35	68.8 Å²	68.8	36%	0.361	35%	0.351	S	S	.	.	H	α-helix	trans	-88.8	-22.5	-175.8	0	0	0	0	0	115.9	Y37 D67 I69	Y37-G71 VanDerWaalsContact OH-C 3.24Å; Y37-G71 WeakPolarHBondContact OH-CA 3.47Å; Y37-G71 PolarHBondContact OH-O 2.73Å; D67-G71 PolarHBondContact O-N 3.46Å; I69-G71 VanDerWaalsContact C-N 3.3Å; I69-G71 PolarHBondContact O-N 3.24Å
72	R	80.2	Confident	76.7	Confident	15 Å²	15	66.9 Å²	66.9	6%	0.057	34%	0.341	C	S	.	.	H	α-helix	trans	-116.9	-13.8	-177.7	-65.7	-60.6	-164.5	173.7	3.9	114.9	L33 F34 K36 Y37 A68 G74 Y75 V84	L33-R72 PolarHBondContact O-NE 3.25Å; L33-R72 VanDerWaalsContact O-NE 3.16Å; L33-R72 PolarHBondContact O-NH2 3.4Å; F34-R72 HydrophobicContact CD1-CG 4.25Å; F34-R72 HydrophobicContact CE1-CB 3.87Å; F34-R72 HydrophobicContact CE1-CG 3.79Å; F34-R72 HydrophobicContact CZ-CB 4.32Å; F34-R72 HydrophobicContact CZ-CG 4.43Å; K36-R72 VanDerWaalsContact CE-CZ 3.42Å; K36-R72 VanDerWaalsContact NZ-NH2 3.11Å; Y37-R72 HydrophobicContact CD2-CG 4.41Å; Y37-R72 HydrophobicContact CE2-CG 3.34Å; Y37-R72 WeakPolarHBondContact OH-CD 3.3Å; Y37-R72 WeakPolarHBondContact OH-CG 3.28Å; Y37-R72 PolarHBondContact OH-NE 2.77Å; A68-R72 VanDerWaalsContact O-CB 3.26Å; A68-R72 WeakPolarHBondContact O-CB 3.39Å; A68-R72 PolarHBondContact O-N 2.74Å; R72-G74 PolarHBondContact O-N 2.68Å; R72-G74 VanDerWaalsContact O-N 3.15Å; R72-Y75 VanDerWaalsContact NH1-CE2 3.32Å; R72-Y75 VanDerWaalsContact O-CB 3.23Å; R72-Y75 WeakPolarHBondContact O-CB 3.37Å; R72-Y75 PolarHBondContact O-N 2.65Å; R72-V84 HydrophobicContact CB-CG2 3.75Å
73	N	76.3	Confident	76.4	Confident	61 Å²	61	66.9 Å²	66.9	33%	0.326	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	120	174.8	-171	27.5	0	0	0	109.9	I69 V84	I69-N73 WeakPolarHBondContact O-CB 3.28Å; I69-N73 PolarHBondContact O-N 2.73Å; N73-V84 HydrophobicContact CB-CB 4.12Å; N73-V84 WeakPolarHBondContact CB-O 3.48Å; N73-V84 PolarHBondContact OD1-N 3.14Å; N73-V84 VanDerWaalsContact OD1-N 3.15Å; N73-V84 PolarHBondContact OD1-O 2.88Å
74	G	67.9	Low	76.5	Confident	15 Å²	15	59.2 Å²	59.2	16%	0.155	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	8.9	-175.3	0	0	0	0	0	115	R72 R81 L82	R72-G74 PolarHBondContact O-N 2.68Å; R72-G74 VanDerWaalsContact O-N 3.15Å; G74-R81 WeakPolarHBondContact O-CG 3.29Å; G74-R81 PolarHBondContact O-NE 2.71Å; G74-L82 WeakPolarHBondContact CA-O 3.21Å; G74-L82 PolarHBondContact N-O 3.32Å
75	Y	76	Confident	76.3	Confident	104 Å²	104	59.2 Å²	59.2	41%	0.408	30%	0.303	S	S	.	.			trans	-71.9	126.9	178.4	-175.9	-102.6	0	0	0	111.3	L33 R72 Y77 L82	L33-Y75 HydrophobicContact CD1-CD1 4.19Å; L33-Y75 HydrophobicContact CD1-CE1 3.98Å; R72-Y75 VanDerWaalsContact NH1-CE2 3.32Å; R72-Y75 VanDerWaalsContact O-CB 3.23Å; R72-Y75 WeakPolarHBondContact O-CB 3.37Å; R72-Y75 PolarHBondContact O-N 2.65Å; Y75-Y77 HydrophobicContact CE1-CD2 4.15Å; Y75-Y77 PolarHBondContact O-N 3.4Å; Y75-Y77 VanDerWaalsContact O-N 3.16Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 WeakPolarHBondContact O-CG 3.29Å; Y75-L82 PolarHBondContact O-N 2.95Å
76	D	71.7	Confident	76.1	Confident	111 Å²	111	64.2 Å²	64.2	59%	0.594	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	105.4	173.3	-62.1	-79.2	0	0	0	109.9
77	Y	70	Confident	75.5	Confident	64 Å²	64	60.3 Å²	60.3	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102.8	175.5	-171	-99.4	0	0	0	109.5	P22 D29 L33 Y75 Q79 C80 L82	P22-Y77 HydrophobicContact CG-CD1 3.85Å; P22-Y77 HydrophobicContact CG-CE1 3.97Å; D29-Y77 WeakPolarHBondContact CB-OH 3.15Å; L33-Y77 HydrophobicContact CD1-CD2 3.71Å; L33-Y77 HydrophobicContact CD1-CE2 3.92Å; Y75-Y77 HydrophobicContact CE1-CD2 4.15Å; Y75-Y77 PolarHBondContact O-N 3.4Å; Y75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-Q79 PolarHBondContact O-N 3.15Å; Y77-C80 CarbonylContact C-O 3.58Å; Y77-C80 PolarHBondContact N-O 3.37Å; Y77-C80 PolarHBondContact O-N 2.95Å; Y77-C80 VanDerWaalsContact O-O 3.09Å; Y77-L82 HydrophobicContact CG-CD1 4.18Å; Y77-L82 HydrophobicContact CG-CD2 4.45Å; Y77-L82 HydrophobicContact CG-CG 4.49Å
78	G	70	Confident	74.4	Confident	75 Å²	75	63.4 Å²	63.4	77%	0.773	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-117	-172	0	0	0	0	0	111.2
79	Q	65.8	Low	72.7	Confident	149 Å²	149	67.2 Å²	67.2	70%	0.696	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	1	176.3	-66.1	-179.4	-29.5	0	0	112.7	Y77 Y160	Y77-Q79 PolarHBondContact O-N 3.15Å; Q79-Y160 PolarHBondContact O-OH 3.08Å
80	C	65.6	Low	70.7	Confident	28 Å²	28	77.4 Å²	77.4	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.7	-174.4	-54.4	0	0	0	0	110.6	N20 Y77	N20-C80 WeakPolarHBondContact O-CB 3.29Å; Y77-C80 CarbonylContact C-O 3.58Å; Y77-C80 PolarHBondContact N-O 3.37Å; Y77-C80 PolarHBondContact O-N 2.95Å; Y77-C80 VanDerWaalsContact O-O 3.09Å
81	R	66.7	Low	68.5	Low	51 Å²	51	71 Å²	71	19%	0.192	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.6	176.3	-171.2	-178.3	-165.8	-164.5	7	109.8	N20 G74 R83 E156 D157	N20-R81 WeakPolarHBondContact CB-O 3.46Å; N20-R81 PolarHBondContact ND2-O 3.34Å; G74-R81 WeakPolarHBondContact O-CG 3.29Å; G74-R81 PolarHBondContact O-NE 2.71Å; R81-R83 PolarHBondContact O-N 2.86Å; R81-E156 IonicContact NH1-OE2 3.9Å; R81-D157 IonicContact CZ-OD1 3.23Å; R81-D157 IonicContact NH1-OD1 3.67Å; R81-D157 PolarHBondContact NH1-OD1 3.09Å
82	L	80.4	Confident	66.6	Low	0 Å²	0	72 Å²	72	0%	0	39%	0.385	C	S	.	.			trans	-62.8	132.4	-175.6	-59.9	-174.6	0	0	0	111.5	L21 L33 G74 Y75 Y77 V84	L21-L82 HydrophobicContact CD2-CD2 3.42Å; L21-L82 VanDerWaalsContact CD2-CD2 3.42Å; L21-L82 HydrophobicContact CG-CD2 4.34Å; L33-L82 HydrophobicContact CD1-CD1 4.44Å; L33-L82 HydrophobicContact CD2-CD1 3.18Å; L33-L82 HydrophobicContact CG-CD1 4.41Å; G74-L82 WeakPolarHBondContact CA-O 3.21Å; G74-L82 PolarHBondContact N-O 3.32Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 WeakPolarHBondContact O-CG 3.29Å; Y75-L82 PolarHBondContact O-N 2.95Å; Y77-L82 HydrophobicContact CG-CD1 4.18Å; Y77-L82 HydrophobicContact CG-CD2 4.45Å; Y77-L82 HydrophobicContact CG-CG 4.49Å; L82-V84 HydrophobicContact CB-CG2 4.37Å
83	R	75.6	Confident	64.6	Low	58 Å²	58	83.8 Å²	83.8	22%	0.219	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.6	174.3	174.5	-179	169.2	143.3	23.7	108.4	Y17 V18 G19 N20 R81 E85 D136	Y17-R83 HydrophobicContact CE1-CG 4.26Å; V18-R83 CarbonylContact C-O 3.55Å; V18-R83 VanDerWaalsContact CA-O 3.23Å; V18-R83 WeakPolarHBondContact CA-O 3.15Å; G19-R83 PolarHBondContact N-O 3.37Å; G19-R83 PolarHBondContact O-N 2.86Å; N20-R83 HydrophobicContact CB-CB 4.35Å; R81-R83 PolarHBondContact O-N 2.86Å; R83-E85 IonicContact CZ-OE1 3.92Å; R83-E85 IonicContact NE-OE1 2.66Å; R83-E85 PolarHBondContact NE-OE1 3.48Å; R83-E85 IonicContact NH2-OE1 3.24Å; R83-E85 PolarHBondContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.95Å; R83-D136 IonicContact CZ-OD1 3.38Å; R83-D136 IonicContact NE-OD1 2.63Å; R83-D136 IonicContact NH1-OD1 3.03Å; R83-D136 PolarHBondContact NH1-OD1 3.26Å; R83-D136 IonicContact NH2-OD1 2.69Å; R83-D136 PolarHBondContact NH2-OD1 2.97Å; R83-D136 IonicContact NH2-OD2 3.93Å
84	V	84.4	Confident	62.7	Low	0 Å²	0	84.2 Å²	84.2	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.7	-179.8	-166.5	0	0	0	0	109	I16 Y17 V18 F34 I69 R72 N73 L82	I16-V84 HydrophobicContact CB-CG1 4.22Å; I16-V84 HydrophobicContact CD1-CG1 3.57Å; I16-V84 HydrophobicContact CG1-CG1 4.38Å; Y17-V84 CarbonylContact O-C 3.54Å; Y17-V84 VanDerWaalsContact O-CA 3.26Å; Y17-V84 WeakPolarHBondContact O-CA 3.34Å; V18-V84 HydrophobicContact CG1-CG2 4.27Å; V18-V84 HydrophobicContact CG2-CG1 4.4Å; F34-V84 HydrophobicContact CE1-CG1 4.12Å; F34-V84 HydrophobicContact CE1-CG2 4.23Å; F34-V84 HydrophobicContact CZ-CG1 4.28Å; F34-V84 HydrophobicContact CZ-CG2 3.89Å; I69-V84 HydrophobicContact CB-CG1 4.43Å; I69-V84 HydrophobicContact CG1-CG1 3.8Å; R72-V84 HydrophobicContact CB-CG2 3.75Å; N73-V84 HydrophobicContact CB-CB 4.12Å; N73-V84 WeakPolarHBondContact CB-O 3.48Å; N73-V84 PolarHBondContact OD1-N 3.14Å; N73-V84 VanDerWaalsContact OD1-N 3.15Å; N73-V84 PolarHBondContact OD1-O 2.88Å; L82-V84 HydrophobicContact CB-CG2 4.37Å
85	E	80.6	Confident	61.3	Low	34 Å²	34	87 Å²	87	16%	0.159	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	168	179.2	68.9	-174.5	68.9	0	0	111.4	I16 Y17 R83 R88	I16-E85 CarbonylContact C-O 3.59Å; Y17-E85 HydrophobicContact CD1-CG 3.82Å; Y17-E85 HydrophobicContact CG-CG 4.38Å; Y17-E85 PolarHBondContact N-O 2.93Å; Y17-E85 PolarHBondContact O-N 2.72Å; R83-E85 IonicContact CZ-OE1 3.92Å; R83-E85 IonicContact NE-OE1 2.66Å; R83-E85 PolarHBondContact NE-OE1 3.48Å; R83-E85 IonicContact NH2-OE1 3.24Å; R83-E85 PolarHBondContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.95Å; E85-R88 IonicContact OE2-CZ 2.78Å; E85-R88 IonicContact OE2-NE 3.82Å; E85-R88 PolarHBondContact OE2-NE 3.45Å; E85-R88 IonicContact OE2-NH2 3.93Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å
86	F	78	Confident	59.3	Low	106 Å²	106	92.1 Å²	92.1	47%	0.465	50%	0.495	S	S	.	.			trans	-66.4	136.2	167.6	-72.1	-69.3	0	0	0	110.2	A65 E66 I69 R88	A65-F86 HydrophobicContact CB-CE1 4.34Å; E66-F86 HydrophobicContact CG-CE2 4.31Å; E66-F86 HydrophobicContact CG-CZ 3.64Å; I69-F86 HydrophobicContact CD1-CD1 3.77Å; I69-F86 HydrophobicContact CD1-CD2 3.48Å; I69-F86 VanDerWaalsContact CD1-CD2 3.48Å; I69-F86 HydrophobicContact CD1-CE1 3.61Å; I69-F86 HydrophobicContact CD1-CE2 3.32Å; I69-F86 HydrophobicContact CD1-CG 3.7Å; I69-F86 HydrophobicContact CD1-CZ 3.39Å; F86-R88 PolarHBondContact O-N 3.17Å; F86-R88 VanDerWaalsContact O-N 3.1Å
87	P	69.4	Low	57.6	Low	30 Å²	30	92.1 Å²	92.1	20%	0.195	50%	0.501	C	S	.	.			trans	-54.9	123.4	177.7	25.6	-34.6	0	0	0	108.6	R15 F56 T89	R15-P87 HydrophobicContact CB-CG 4.17Å; R15-P87 HydrophobicContact CG-CG 3.99Å; R15-P87 WeakPolarHBondContact O-CD 3.19Å; F56-P87 HydrophobicContact CD1-CB 4.12Å; F56-P87 HydrophobicContact CE1-CB 3.85Å; P87-T89 PolarHBondContact O-N 2.76Å
88	R	59.8	Low	56.2	Low	159 Å²	159	101.6 Å²	101.6	60%	0.6	54%	0.537	S	S	*	.			trans	-66.1	108	175.9	-62	-173.8	-174.4	-144.1	-0.7	107.5	E85 F86 Y90	E85-R88 IonicContact OE2-CZ 2.78Å; E85-R88 IonicContact OE2-NE 3.82Å; E85-R88 PolarHBondContact OE2-NE 3.45Å; E85-R88 IonicContact OE2-NH2 3.93Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å; F86-R88 PolarHBondContact O-N 3.17Å; F86-R88 VanDerWaalsContact O-N 3.1Å; R88-Y90 PolarHBondContact O-N 2.71Å
89	T	48	Very low	54.6	Low	80 Å²	80	101.3 Å²	101.3	49%	0.491	53%	0.534	S	S	.	.			trans	-54.7	109.2	171.6	-55.6	0	0	0	0	108.4	P87 G91 G92	P87-T89 PolarHBondContact O-N 2.76Å; T89-G91 PolarHBondContact O-N 2.75Å; T89-G92 PolarHBondContact O-N 3.22Å
90	Y	40.5	Very low	53.2	Low	241 Å²	241	97.6 Å²	97.6	95%	0.945	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	82.2	164.4	-82.2	-95.8	0	0	0	107.4	R88	R88-Y90 PolarHBondContact O-N 2.71Å
91	G	34.2	Very low	52.2	Low	76 Å²	76	108.2 Å²	108.2	78%	0.784	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.1	-1	179.6	0	0	0	0	0	117.3	T89	T89-G91 PolarHBondContact O-N 2.75Å
92	G	37.1	Very low	50.8	Low	56 Å²	56	111.5 Å²	111.5	58%	0.577	59%	0.593	S	S	*	*			trans	-90.7	112.9	178.7	0	0	0	0	0	112.8	T89 G94	T89-G92 PolarHBondContact O-N 3.22Å; G92-G94 PolarHBondContact O-N 3.43Å
93	R	38.5	Very low	49	Very low	261 Å²	261	114.6 Å²	114.6	99%	0.985	63%	0.625	S	S	*	*			trans	-57.2	82.5	177.4	-167.1	-177.7	-172.2	-167.5	2.7	112.2
94	G	37.1	Very low	47.6	Very low	71 Å²	71	114 Å²	114	73%	0.732	63%	0.628	S	S	*	*			trans	-147.4	75	-179.7	0	0	0	0	0	113.5	G92	G92-G94 PolarHBondContact O-N 3.43Å
95	G	37.9	Very low	45.7	Very low	73 Å²	73	117 Å²	117	75%	0.753	65%	0.648	S	S	*	*			trans	84.3	32.4	142.6	0	0	0	0	0	120.4	P97	G95-P97 WeakPolarHBondContact O-CD 3.14Å
96	W	33.3	Very low	44.2	Very low	212 Å²	212	122.4 Å²	122.4	80%	0.803	68%	0.683	S	S	*	*			trans	-74.7	120.1	141.9	-64.3	94.6	0	0	0	105.7	R98	W96-R98 VanDerWaalsContact C-N 3.27Å; W96-R98 PolarHBondContact O-N 2.89Å
97	P	37	Very low	42.8	Very low	111 Å²	111	127.7 Å²	127.7	72%	0.721	70%	0.7	S	S	*	*			trans	-61.2	99.5	175.1	24	-29.5	0	0	0	107	G95 G99	G95-P97 WeakPolarHBondContact O-CD 3.14Å; P97-G99 PolarHBondContact O-N 3.06Å
98	R	40.8	Very low	42.1	Very low	262 Å²	262	132.4 Å²	132.4	99%	0.989	71%	0.714	S	S	*	*	S	Bend	trans	-72.1	72.5	168.9	-154.9	-176.9	-170.8	178.7	3.6	105.5	W96	W96-R98 VanDerWaalsContact C-N 3.27Å; W96-R98 PolarHBondContact O-N 2.89Å
99	G	35.6	Very low	42.2	Very low	69 Å²	69	125.7 Å²	125.7	71%	0.711	69%	0.691	S	S	*	*			trans	171.4	68.5	-167.6	0	0	0	0	0	111.2	P97	P97-G99 PolarHBondContact O-N 3.06Å
100	G	36.4	Very low	43.3	Very low	71 Å²	71	128.8 Å²	128.8	73%	0.732	71%	0.705	S	S	*	*			trans	160.6	105.9	167	0	0	0	0	0	113.7	N102	G100-N102 VanDerWaalsContact C-N 3.33Å; G100-N102 PolarHBondContact O-N 2.86Å
101	R	45	Very low	45.4	Very low	252 Å²	252	120.3 Å²	120.3	95%	0.951	67%	0.673	S	S	*	*	S	Bend	trans	-85.8	12.1	-170.3	-156.2	176.2	173.9	174.7	-1.3	114.9
102	N	37.8	Very low	47.9	Very low	119 Å²	119	118.4 Å²	118.4	64%	0.636	64%	0.643	S	S	*	*	S	Bend	trans	-160.4	42.7	-168.8	-140.8	-121.8	0	0	0	117	G100 R196	G100-N102 VanDerWaalsContact C-N 3.33Å; G100-N102 PolarHBondContact O-N 2.86Å; N102-R196 PolarHBondContact OD1-NH1 2.98Å; N102-R196 PolarHBondContact OD1-NH2 3.16Å
103	G	42.7	Very low	50.4	Low	65 Å²	65	115.8 Å²	115.8	67%	0.67	62%	0.615	S	S	*	*			trans	-157.6	135.2	174.8	0	0	0	0	0	116.1
104	P	46.1	Very low	52.9	Low	45 Å²	45	106 Å²	106	29%	0.292	58%	0.582	S	S	.	*			trans	-65.5	159.8	173.2	26.8	-32.1	0	0	0	112.7	T106 Y139	P104-T106 PolarHBondContact O-N 3.38Å; P104-Y139 HydrophobicContact CB-CD2 3.23Å; P104-Y139 HydrophobicContact CB-CE2 3.27Å; P104-Y139 HydrophobicContact CB-CG 4.2Å; P104-Y139 HydrophobicContact CG-CD2 4.09Å; P104-Y139 HydrophobicContact CG-CE2 3.7Å
105	P	44.9	Very low	55.5	Low	64 Å²	64	102.6 Å²	102.6	42%	0.416	55%	0.547	S	S	.	.			trans	-50.5	132.6	-175.2	18.7	-31.1	0	0	0	111.4	R107 C138	P105-R107 PolarHBondContact O-N 2.72Å; P105-C138 WeakPolarHBondContact CG-O 2.98Å
106	T	48.6	Very low	58	Low	147 Å²	147	100.9 Å²	100.9	90%	0.902	52%	0.524	S	S	*	.	S	Bend	trans	-68.2	3.1	-172.1	53.3	0	0	0	0	114.6	P104	P104-T106 PolarHBondContact O-N 3.38Å
107	R	48.7	Very low	60.6	Low	218 Å²	218	92.8 Å²	92.8	82%	0.823	51%	0.506	S	S	*	.			trans	-107.9	79.3	169.9	-63.7	-167.5	-173.5	-149.1	3.3	108.3	P105 S109	P105-R107 PolarHBondContact O-N 2.72Å; R107-S109 PolarHBondContact O-N 3.15Å
108	R	55	Low	63	Low	128 Å²	128	88 Å²	88	48%	0.483	47%	0.474	S	S	.	.			trans	-69.2	110.9	170.5	-75.5	-178.1	-178.1	-140.2	8.8	108.2	E151	R108-E151 WeakPolarHBondContact CA-OE1 3.41Å
109	S	61.2	Low	65.2	Low	18 Å²	18	76 Å²	76	13%	0.126	43%	0.43	C	S	.	.			trans	-80	149.9	166.7	38.9	0	0	0	0	109.8	R107 F111 E151 Y152	R107-S109 PolarHBondContact O-N 3.15Å; S109-F111 PolarHBondContact O-N 3.23Å; S109-E151 PolarHBondContact N-OE1 3.29Å; S109-E151 WeakPolarHBondContact O-CG 3.44Å; S109-E151 WeakPolarHBondContact OG-CG 3.18Å; S109-E151 PolarHBondContact OG-OE1 2.78Å; S109-Y152 WeakPolarHBondContact CB-O 3.35Å; S109-Y152 PolarHBondContact OG-O 3.4Å
110	D	70.1	Confident	67.4	Low	145 Å²	145	78.9 Å²	78.9	78%	0.775	44%	0.436	S	S	*	.	S	Bend	trans	-77.2	3.2	176.8	-59.9	-66.4	0	0	0	112.8	R112	D110-R112 VanDerWaalsContact C-N 3.34Å; D110-R112 PolarHBondContact O-N 3.48Å; D110-R112 VanDerWaalsContact O-N 3.09Å
111	F	84.6	Confident	69.7	Low	64 Å²	64	76.1 Å²	76.1	28%	0.281	41%	0.406	S	S	.	.			trans	-89.3	70.4	-175.4	-45.9	-51.9	0	0	0	110.9	S109 Y152 K155 M158	S109-F111 PolarHBondContact O-N 3.23Å; F111-Y152 PolarHBondContact O-N 3.45Å; F111-K155 HydrophobicContact CD1-CB 3.7Å; F111-K155 HydrophobicContact CD1-CG 4.05Å; F111-K155 HydrophobicContact CE1-CB 3.51Å; F111-K155 HydrophobicContact CE1-CD 4.24Å; F111-K155 HydrophobicContact CE1-CG 3.99Å; F111-K155 HydrophobicContact CE2-CB 4.45Å; F111-K155 HydrophobicContact CG-CB 4.27Å; F111-K155 HydrophobicContact CZ-CB 3.91Å; F111-M158 VanDerWaalsContact C-SD 3.56Å; F111-M158 VanDerWaalsContact CA-SD 3.53Å; F111-M158 HydrophobicContact CB-CB 3.94Å; F111-M158 HydrophobicContact CB-CG 4.33Å; F111-M158 HydrophobicContact CB-SD 3.95Å
112	R	86.7	Confident	71.5	Confident	36 Å²	36	64.6 Å²	64.6	14%	0.136	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.5	-175.4	-70	-175.2	178.9	138.7	17.3	113.6	D110 V150 E151 E185	D110-R112 VanDerWaalsContact C-N 3.34Å; D110-R112 PolarHBondContact O-N 3.48Å; D110-R112 VanDerWaalsContact O-N 3.09Å; R112-V150 CarbonylContact C-O 3.43Å; R112-V150 WeakPolarHBondContact CA-O 3.38Å; R112-E151 HydrophobicContact CG-CB 4.08Å; R112-E151 HydrophobicContact CG-CG 3.73Å; R112-E151 IonicContact CZ-OE2 3.35Å; R112-E151 IonicContact NE-OE2 3.03Å; R112-E151 PolarHBondContact NE-OE2 2.87Å; R112-E151 IonicContact NH2-OE2 2.98Å; R112-E151 PolarHBondContact NH2-OE2 3.35Å; R112-E185 HydrophobicContact CB-CB 3.91Å; R112-E185 WeakPolarHBondContact CD-OE2 3.48Å; R112-E185 PolarHBondContact O-N 3.24Å; R112-E185 VanDerWaalsContact O-N 3.09Å
113	V	90.4	Very high	73.8	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.5	168.8	-55.6	0	0	0	0	110.5	V115 M131 V150 Y152 M158 L162 V182 Y183	V113-V115 HydrophobicContact CG2-CG2 4.39Å; V113-M131 HydrophobicContact CG2-CE 3.55Å; V113-V150 HydrophobicContact CG2-CB 3.73Å; V113-V150 HydrophobicContact CG2-CG1 4.35Å; V113-V150 PolarHBondContact N-O 3.22Å; V113-V150 PolarHBondContact O-N 3.23Å; V113-Y152 HydrophobicContact CG1-CE2 4.36Å; V113-Y152 HydrophobicContact CG2-CE2 3.93Å; V113-M158 HydrophobicContact CG1-CG 3.48Å; V113-M158 VanDerWaalsContact CG1-CG 3.48Å; V113-L162 HydrophobicContact CB-CD2 4.45Å; V113-L162 HydrophobicContact CG1-CD1 4.47Å; V113-L162 HydrophobicContact CG1-CD2 3.84Å; V113-L162 HydrophobicContact CG1-CG 3.95Å; V113-V182 HydrophobicContact CB-CG1 3.76Å; V113-V182 HydrophobicContact CG1-CG1 4.17Å; V113-V182 HydrophobicContact CG2-CG1 3.84Å; V113-Y183 CarbonylContact C-O 3.57Å; V113-Y183 WeakPolarHBondContact CA-O 3.23Å
114	L	90.9	Very high	76	Confident	55 Å²	55	63 Å²	63	29%	0.288	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.9	166.5	-67.3	174.7	0	0	0	108.6	G148 M149 V182 Y183	L114-G148 WeakPolarHBondContact CA-O 3.21Å; L114-M149 HydrophobicContact CD2-CB 4.18Å; L114-M149 HydrophobicContact CD2-CE 3.89Å; L114-M149 HydrophobicContact CD2-CG 4.38Å; L114-V182 WeakPolarHBondContact O-CA 3.25Å; L114-Y183 PolarHBondContact N-O 2.9Å; L114-Y183 PolarHBondContact O-N 2.62Å
115	V	91.2	Very high	77.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.2	177.2	-176.5	0	0	0	0	108	V113 L118 L127 M131 V147 G148 V150 I180 R181 V182	V113-V115 HydrophobicContact CG2-CG2 4.39Å; V115-L118 HydrophobicContact CG1-CD2 4.14Å; V115-L118 HydrophobicContact CG1-CG 4.28Å; V115-L127 HydrophobicContact CB-CD1 3.99Å; V115-L127 HydrophobicContact CG1-CD1 3.87Å; V115-L127 HydrophobicContact CG2-CD1 3.94Å; V115-M131 HydrophobicContact CG2-CE 3.69Å; V115-M131 HydrophobicContact CG2-SD 4.12Å; V115-V147 CarbonylContact O-C 3.45Å; V115-V147 WeakPolarHBondContact O-CA 3.49Å; V115-G148 PolarHBondContact N-O 3.4Å; V115-G148 PolarHBondContact O-N 3.29Å; V115-V150 HydrophobicContact CG2-CG2 4.3Å; V115-I180 HydrophobicContact CG1-CB 3.78Å; V115-I180 HydrophobicContact CG1-CD1 3.8Å; V115-I180 HydrophobicContact CG1-CG1 4.39Å; V115-I180 HydrophobicContact CG1-CG2 3.97Å; V115-R181 CarbonylContact C-O 3.49Å; V115-R181 VanDerWaalsContact CA-O 3.24Å; V115-R181 WeakPolarHBondContact CA-O 3.02Å; V115-V182 HydrophobicContact CG2-CG1 4.41Å; V115-V182 HydrophobicContact CG2-CG2 4.3Å
116	S	90.7	Very high	79.9	Confident	38 Å²	38	65 Å²	65	27%	0.266	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	164	174.9	67.9	0	0	0	0	111.2	I180 R181	S116-I180 CarbonylContact O-C 3.56Å; S116-I180 VanDerWaalsContact O-CA 3.28Å; S116-I180 WeakPolarHBondContact O-CA 3.45Å; S116-R181 PolarHBondContact N-O 3.32Å; S116-R181 PolarHBondContact O-N 2.91Å
117	G	87.4	Confident	81.9	Confident	41 Å²	41	58 Å²	58	42%	0.423	29%	0.292	S	S	.	.			trans	83.3	19.2	-177.4	0	0	0	0	0	113.7	S178	G117-S178 VanDerWaalsContact O-CB 3.25Å; G117-S178 WeakPolarHBondContact O-CB 3.07Å; G117-S178 PolarHBondContact O-OG 2.81Å
118	L	88.3	Confident	83.7	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	27%	0.267	C	S	.	.			trans	-67.1	143.3	173.6	-65.5	171.4	0	0	0	110.4	V115 L127 V142 G146 F170 I180	V115-L118 HydrophobicContact CG1-CD2 4.14Å; V115-L118 HydrophobicContact CG1-CG 4.28Å; L118-L127 HydrophobicContact CD1-CD1 4.37Å; L118-L127 HydrophobicContact CD1-CD2 4.24Å; L118-L127 HydrophobicContact CD2-CD1 4.11Å; L118-V142 HydrophobicContact CD1-CB 4.41Å; L118-V142 HydrophobicContact CD1-CG1 3.8Å; L118-V142 HydrophobicContact CD1-CG2 3.73Å; L118-G146 WeakPolarHBondContact CB-O 3.43Å; L118-G146 PolarHBondContact N-O 3.29Å; L118-F170 HydrophobicContact CD2-CD1 3.9Å; L118-F170 HydrophobicContact CD2-CD2 3.99Å; L118-F170 HydrophobicContact CD2-CE1 3.83Å; L118-F170 HydrophobicContact CD2-CE2 3.95Å; L118-F170 HydrophobicContact CD2-CG 3.94Å; L118-F170 HydrophobicContact CD2-CZ 3.81Å; L118-I180 HydrophobicContact CD2-CG2 3.65Å; L118-I180 HydrophobicContact CG-CG2 4.4Å
119	P	86.1	Confident	85.1	Confident	10 Å²	10	49 Å²	49	7%	0.065	27%	0.267	C	S	.	.			trans	-66.4	156.2	174	31.6	-31	0	0	0	109.1	S121 G122 F170 E176 S178	P119-S121 PolarHBondContact O-N 3.27Å; P119-S121 VanDerWaalsContact O-N 3.16Å; P119-G122 WeakPolarHBondContact O-CA 3.42Å; P119-G122 PolarHBondContact O-N 3.28Å; P119-F170 HydrophobicContact CG-CD1 3.72Å; P119-F170 HydrophobicContact CG-CE1 3.65Å; P119-E176 HydrophobicContact CB-CB 3.92Å; P119-E176 WeakPolarHBondContact CB-OE2 3.44Å; P119-E176 HydrophobicContact CG-CB 4.4Å; P119-S178 VanDerWaalsContact CD-OG 3.27Å; P119-S178 WeakPolarHBondContact CD-OG 3.42Å
120	P	82.8	Confident	86.3	Confident	129 Å²	129	49.7 Å²	49.7	84%	0.838	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.7	180	24.3	-33.8	0	0	0	113	G122 E176	P120-G122 VanDerWaalsContact C-N 3.31Å; P120-E176 WeakPolarHBondContact CD-OE2 3.32Å
121	S	84.7	Confident	87.1	Confident	13 Å²	13	42.8 Å²	42.8	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.5	172.7	61.4	0	0	0	0	114.5	P119 S123 S172 H173 E174 E176	P119-S121 PolarHBondContact O-N 3.27Å; P119-S121 VanDerWaalsContact O-N 3.16Å; S121-S123 PolarHBondContact O-N 3.4Å; S121-S172 WeakPolarHBondContact OG-CB 3.39Å; S121-S172 PolarHBondContact OG-OG 3.08Å; S121-H173 PolarHBondContact O-CE1 3.23Å; S121-H173 VanDerWaalsContact O-CE1 3.23Å; S121-H173 PolarHBondContact O-ND1 3.11Å; S121-E174 WeakPolarHBondContact CB-OE2 3.32Å; S121-E176 VanDerWaalsContact CB-OE2 3.3Å; S121-E176 WeakPolarHBondContact CB-OE2 3.33Å; S121-E176 PolarHBondContact N-OE2 3.16Å; S121-E176 WeakPolarHBondContact OG-CB 3.31Å; S121-E176 VanDerWaalsContact OG-CD 3.23Å; S121-E176 WeakPolarHBondContact OG-CG 3.33Å; S121-E176 PolarHBondContact OG-OE2 2.82Å
122	G	82.2	Confident	87.2	Confident	10 Å²	10	43.6 Å²	43.6	10%	0.103	23%	0.232	C	C	.	.			trans	-65.4	114.6	-175.6	0	0	0	0	0	111.6	P119 P120 V142	P119-G122 WeakPolarHBondContact O-CA 3.42Å; P119-G122 PolarHBondContact O-N 3.28Å; P120-G122 VanDerWaalsContact C-N 3.31Å; G122-V142 WeakPolarHBondContact O-CG1 3.15Å
123	S	87.3	Confident	86.9	Confident	23 Å²	23	45.6 Å²	45.6	16%	0.161	24%	0.243	C	C	.	.			trans	-92.9	160.2	176.9	75	0	0	0	0	111.6	S121 Q125 D126 L127	S121-S123 PolarHBondContact O-N 3.4Å; S123-Q125 PolarHBondContact O-N 3.23Å; S123-Q125 PolarHBondContact OG-N 2.79Å; S123-D126 WeakPolarHBondContact CB-OD2 3.25Å; S123-D126 PolarHBondContact N-OD2 3.38Å; S123-D126 PolarHBondContact O-N 3.33Å; S123-D126 PolarHBondContact OG-N 3.02Å; S123-D126 VanDerWaalsContact OG-N 3.15Å; S123-D126 PolarHBondContact OG-OD2 2.98Å; S123-L127 PolarHBondContact O-N 2.57Å
124	W	87.2	Confident	86.5	Confident	126 Å²	126	45.6 Å²	45.6	48%	0.477	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-23.7	171.5	65.4	-94.3	0	0	0	112.6	K128 V142	W124-K128 WeakPolarHBondContact O-CB 3.4Å; W124-K128 PolarHBondContact O-N 3.15Å; W124-V142 HydrophobicContact CB-CG2 4.11Å
125	Q	86.6	Confident	86.2	Confident	121 Å²	121	43.7 Å²	43.7	57%	0.565	24%	0.236	S	C	*	.	H	α-helix	trans	-70.3	-48.2	175.1	-65	-179.2	-71.6	0	0	110.5	S123 L127 K128 D129	S123-Q125 PolarHBondContact O-N 3.23Å; S123-Q125 PolarHBondContact OG-N 2.79Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; Q125-L127 PolarHBondContact O-N 2.89Å; Q125-K128 PolarHBondContact O-N 3.12Å; Q125-D129 PolarHBondContact O-N 2.98Å
126	D	87.7	Confident	85.5	Confident	31 Å²	31	44.8 Å²	44.8	17%	0.166	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-45.6	175.1	-59.2	-42.5	0	0	0	109.9	S123 K128 D129 H130 F170 H173	S123-D126 WeakPolarHBondContact CB-OD2 3.25Å; S123-D126 PolarHBondContact N-OD2 3.38Å; S123-D126 PolarHBondContact O-N 3.33Å; S123-D126 PolarHBondContact OG-N 3.02Å; S123-D126 VanDerWaalsContact OG-N 3.15Å; S123-D126 PolarHBondContact OG-OD2 2.98Å; D126-K128 PolarHBondContact O-N 3.25Å; D126-D129 PolarHBondContact O-N 3.37Å; D126-H130 WeakPolarHBondContact O-CB 3.22Å; D126-H130 PolarHBondContact O-N 2.8Å; D126-F170 HydrophobicContact CB-CE1 4.34Å; D126-F170 HydrophobicContact CB-CE2 3.96Å; D126-F170 HydrophobicContact CB-CZ 3.42Å; D126-F170 VanDerWaalsContact CB-CZ 3.42Å; D126-H173 PolarHBondContact OD1-N 3.35Å; D126-H173 IonicContact OD2-CG 3.82Å; D126-H173 PolarHBondContact OD2-N 3Å; D126-H173 VanDerWaalsContact OD2-N 3.11Å; D126-H173 IonicContact OD2-ND1 2.65Å; D126-H173 PolarHBondContact OD2-ND1 3.35Å
127	L	89.3	Confident	85.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-47.1	175.3	-179.7	62.2	0	0	0	111.9	V115 L118 S123 Q125 H130 M131 V142 V150 F170	V115-L127 HydrophobicContact CB-CD1 3.99Å; V115-L127 HydrophobicContact CG1-CD1 3.87Å; V115-L127 HydrophobicContact CG2-CD1 3.94Å; L118-L127 HydrophobicContact CD1-CD1 4.37Å; L118-L127 HydrophobicContact CD1-CD2 4.24Å; L118-L127 HydrophobicContact CD2-CD1 4.11Å; S123-L127 PolarHBondContact O-N 2.57Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; Q125-L127 PolarHBondContact O-N 2.89Å; L127-H130 PolarHBondContact O-N 3.47Å; L127-M131 HydrophobicContact CD1-CG 3.67Å; L127-M131 HydrophobicContact CG-CG 4.25Å; L127-M131 VanDerWaalsContact O-CB 3.24Å; L127-M131 WeakPolarHBondContact O-CB 3.45Å; L127-M131 WeakPolarHBondContact O-CG 3.41Å; L127-M131 PolarHBondContact O-N 2.75Å; L127-V142 HydrophobicContact CB-CG2 3.98Å; L127-V142 HydrophobicContact CD2-CG2 3.57Å; L127-V142 HydrophobicContact CG-CG2 4.41Å; L127-V150 HydrophobicContact CD1-CG2 4.09Å; L127-V150 HydrophobicContact CD2-CG2 3.62Å; L127-V150 HydrophobicContact CG-CG2 3.66Å; L127-F170 HydrophobicContact CB-CE2 4.43Å
128	K	87.3	Confident	84.9	Confident	69 Å²	69	43 Å²	43	30%	0.3	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-47.3	178.6	-176.1	173.3	-177.1	176.6	0	111.6	W124 Q125 D126 H130 M131 R132 V137 A140	W124-K128 WeakPolarHBondContact O-CB 3.4Å; W124-K128 PolarHBondContact O-N 3.15Å; Q125-K128 PolarHBondContact O-N 3.12Å; D126-K128 PolarHBondContact O-N 3.25Å; K128-H130 VanDerWaalsContact C-N 3.25Å; K128-H130 PolarHBondContact O-N 3.38Å; K128-M131 PolarHBondContact O-N 3.22Å; K128-R132 WeakPolarHBondContact O-CB 3.34Å; K128-R132 PolarHBondContact O-N 2.96Å; K128-V137 HydrophobicContact CD-CG1 4.46Å; K128-V137 WeakPolarHBondContact CE-O 3.27Å; K128-V137 HydrophobicContact CG-CB 4.16Å; K128-V137 HydrophobicContact CG-CG1 3.92Å; K128-A140 HydrophobicContact CB-CB 3.89Å; K128-A140 HydrophobicContact CG-CB 4.45Å
129	D	84.5	Confident	84.5	Confident	89 Å²	89	44.5 Å²	44.5	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-78.9	-7.6	-176.6	-114.2	53.9	0	0	0	113.5	Q125 D126 R132	Q125-D129 PolarHBondContact O-N 2.98Å; D126-D129 PolarHBondContact O-N 3.37Å; D129-R132 VanDerWaalsContact C-CG 3.47Å; D129-R132 WeakPolarHBondContact O-CG 3.49Å; D129-R132 PolarHBondContact O-NH1 3.15Å; D129-R132 IonicContact OD1-CZ 3.55Å; D129-R132 IonicContact OD1-NH1 2.73Å; D129-R132 IonicContact OD1-NH2 2.93Å; D129-R132 IonicContact OD2-CZ 3.56Å; D129-R132 IonicContact OD2-NH1 3.06Å; D129-R132 PolarHBondContact OD2-NH1 3.3Å; D129-R132 IonicContact OD2-NH2 3.4Å; D129-R132 PolarHBondContact OD2-NH2 3.19Å
130	H	86.9	Confident	84.6	Confident	31 Å²	31	44.6 Å²	44.6	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-83.2	-50.6	160.5	-169.7	86.4	0	0	0	111.4	D126 L127 K128 R132 E133 T168 K169 F170	D126-H130 WeakPolarHBondContact O-CB 3.22Å; D126-H130 PolarHBondContact O-N 2.8Å; L127-H130 PolarHBondContact O-N 3.47Å; K128-H130 VanDerWaalsContact C-N 3.25Å; K128-H130 PolarHBondContact O-N 3.38Å; H130-R132 VanDerWaalsContact C-N 3.29Å; H130-R132 PolarHBondContact O-N 2.79Å; H130-E133 WeakPolarHBondContact O-CB 3.18Å; H130-E133 PolarHBondContact O-N 2.78Å; H130-T168 PolarHBondContact NE2-OG1 3.16Å; H130-K169 PolarHBondContact CE1-O 2.83Å; H130-F170 HydrophobicContact CB-CD2 3.89Å; H130-F170 HydrophobicContact CB-CE2 4.05Å; H130-F170 AromaticContact CG-CD2 3.84Å
131	M	86.8	Confident	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-74.7	-16.3	-172.1	-65.8	-67.5	-74.1	0	0	114.3	V113 V115 L127 K128 E133 A134 V137 V150 Y152 A161 L165 I180 V182	V113-M131 HydrophobicContact CG2-CE 3.55Å; V115-M131 HydrophobicContact CG2-CE 3.69Å; V115-M131 HydrophobicContact CG2-SD 4.12Å; L127-M131 HydrophobicContact CD1-CG 3.67Å; L127-M131 HydrophobicContact CG-CG 4.25Å; L127-M131 VanDerWaalsContact O-CB 3.24Å; L127-M131 WeakPolarHBondContact O-CB 3.45Å; L127-M131 WeakPolarHBondContact O-CG 3.41Å; L127-M131 PolarHBondContact O-N 2.75Å; K128-M131 PolarHBondContact O-N 3.22Å; M131-E133 PolarHBondContact O-N 3.48Å; M131-A134 PolarHBondContact O-N 2.98Å; M131-V137 HydrophobicContact CB-CG2 4.04Å; M131-V150 HydrophobicContact CB-CG1 3.99Å; M131-V150 HydrophobicContact CB-CG2 4.18Å; M131-V150 HydrophobicContact CE-CB 4.35Å; M131-V150 HydrophobicContact CE-CG1 4.48Å; M131-V150 HydrophobicContact CE-CG2 4.41Å; M131-V150 HydrophobicContact CG-CG2 3.91Å; M131-Y152 WeakPolarHBondContact CB-OH 3.41Å; M131-Y152 HydrophobicContact CE-CE2 4.41Å; M131-Y152 WeakPolarHBondContact CE-OH 3.42Å; M131-Y152 WeakPolarHBondContact O-CE1 3.26Å; M131-Y152 PolarHBondContact O-OH 3.22Å; M131-A161 HydrophobicContact CE-CB 4.19Å; M131-L165 HydrophobicContact CB-CD1 4.47Å; M131-L165 HydrophobicContact CE-CD1 4.2Å; M131-L165 HydrophobicContact SD-CB 4.12Å; M131-L165 HydrophobicContact SD-CD1 3.58Å; M131-L165 VanDerWaalsContact SD-CD1 3.58Å; M131-I180 HydrophobicContact SD-CD1 4.21Å; M131-V182 HydrophobicContact CE-CG1 3.8Å; M131-V182 HydrophobicContact CE-CG2 4.14Å; M131-V182 HydrophobicContact SD-CG2 4.31Å
132	R	85.9	Confident	84.9	Confident	82 Å²	82	41.7 Å²	41.7	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.2	167.7	63	96.4	89.9	63	18.5	115	K128 D129 H130 A134 G135	K128-R132 WeakPolarHBondContact O-CB 3.34Å; K128-R132 PolarHBondContact O-N 2.96Å; D129-R132 VanDerWaalsContact C-CG 3.47Å; D129-R132 WeakPolarHBondContact O-CG 3.49Å; D129-R132 PolarHBondContact O-NH1 3.15Å; D129-R132 IonicContact OD1-CZ 3.55Å; D129-R132 IonicContact OD1-NH1 2.73Å; D129-R132 IonicContact OD1-NH2 2.93Å; D129-R132 IonicContact OD2-CZ 3.56Å; D129-R132 IonicContact OD2-NH1 3.06Å; D129-R132 PolarHBondContact OD2-NH1 3.3Å; D129-R132 IonicContact OD2-NH2 3.4Å; D129-R132 PolarHBondContact OD2-NH2 3.19Å; H130-R132 VanDerWaalsContact C-N 3.29Å; H130-R132 PolarHBondContact O-N 2.79Å; R132-A134 PolarHBondContact O-N 3.12Å; R132-G135 WeakPolarHBondContact CA-O 3.4Å; R132-G135 PolarHBondContact O-N 2.98Å; R132-G135 VanDerWaalsContact O-N 3.11Å
133	E	81.1	Confident	84.9	Confident	77 Å²	77	44.4 Å²	44.4	36%	0.36	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.9	179	-179.6	177.2	158.3	0	0	111.6	N20 H130 M131 L165	N20-E133 PolarHBondContact ND2-O 3.41Å; N20-E133 VanDerWaalsContact ND2-O 3.12Å; N20-E133 PolarHBondContact OD1-O 2.63Å; H130-E133 WeakPolarHBondContact O-CB 3.18Å; H130-E133 PolarHBondContact O-N 2.78Å; M131-E133 PolarHBondContact O-N 3.48Å; E133-L165 HydrophobicContact CB-CD2 4.02Å; E133-L165 HydrophobicContact CG-CD2 4.12Å
134	A	82.4	Confident	84.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	25%	0.254	C	S	.	.	S	Bend	trans	-82.5	-22.2	175.6	0	0	0	0	0	114.7	M131 R132 Y152 Y160 A161 L165	M131-A134 PolarHBondContact O-N 2.98Å; R132-A134 PolarHBondContact O-N 3.12Å; A134-Y152 HydrophobicContact CB-CE1 3.95Å; A134-Y160 VanDerWaalsContact CA-CD1 3.45Å; A134-Y160 HydrophobicContact CB-CD1 3.6Å; A134-Y160 HydrophobicContact CB-CE1 4.31Å; A134-A161 HydrophobicContact CB-CB 3.5Å; A134-A161 VanDerWaalsContact CB-CB 3.5Å; A134-L165 HydrophobicContact CB-CD1 3.6Å; A134-L165 HydrophobicContact CB-CG 4.24Å
135	G	82.7	Confident	84.1	Confident	14 Å²	14	53.1 Å²	53.1	14%	0.144	26%	0.26	C	S	.	.	S	Bend	trans	151.1	-159	-178.6	0	0	0	0	0	114.1	R132 V137	R132-G135 WeakPolarHBondContact CA-O 3.4Å; R132-G135 PolarHBondContact O-N 2.98Å; R132-G135 VanDerWaalsContact O-N 3.11Å; G135-V137 PolarHBondContact O-N 3.27Å; G135-V137 VanDerWaalsContact O-N 3.12Å
136	D	76.8	Confident	83.8	Confident	24 Å²	24	48 Å²	48	13%	0.128	24%	0.239	C	C	.	.			trans	-78.3	100.9	-173.3	-83.8	-51	0	0	0	112.3	R83 C138 Y152 L153 R154 D157	R83-D136 IonicContact CZ-OD1 3.38Å; R83-D136 IonicContact NE-OD1 2.63Å; R83-D136 IonicContact NH1-OD1 3.03Å; R83-D136 PolarHBondContact NH1-OD1 3.26Å; R83-D136 IonicContact NH2-OD1 2.69Å; R83-D136 PolarHBondContact NH2-OD1 2.97Å; R83-D136 IonicContact NH2-OD2 3.93Å; D136-C138 PolarHBondContact O-N 3.23Å; D136-Y152 WeakPolarHBondContact O-CA 3.36Å; D136-L153 HydrophobicContact CB-CB 4.23Å; D136-L153 HydrophobicContact CB-CD1 3.76Å; D136-L153 HydrophobicContact CB-CG 4.14Å; D136-L153 PolarHBondContact O-N 3.11Å; D136-R154 IonicContact OD2-NH1 3.45Å; D136-D157 PolarHBondContact N-OD2 3.39Å
137	V	84.2	Confident	83.8	Confident	15 Å²	15	48.2 Å²	48.2	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.9	171.9	177.9	0	0	0	0	110.3	K128 M131 G135 Y139 A140 V150 E151 Y152	K128-V137 HydrophobicContact CD-CG1 4.46Å; K128-V137 WeakPolarHBondContact CE-O 3.27Å; K128-V137 HydrophobicContact CG-CB 4.16Å; K128-V137 HydrophobicContact CG-CG1 3.92Å; M131-V137 HydrophobicContact CB-CG2 4.04Å; G135-V137 PolarHBondContact O-N 3.27Å; G135-V137 VanDerWaalsContact O-N 3.12Å; V137-Y139 VanDerWaalsContact CG1-O 3.25Å; V137-Y139 WeakPolarHBondContact CG1-O 3.49Å; V137-A140 HydrophobicContact CG1-CB 4.1Å; V137-V150 HydrophobicContact CB-CG1 4.3Å; V137-V150 HydrophobicContact CG1-CG1 3.65Å; V137-V150 HydrophobicContact CG2-CG1 3.73Å; V137-E151 CarbonylContact C-O 3.58Å; V137-E151 WeakPolarHBondContact CA-O 3.35Å; V137-Y152 HydrophobicContact CG2-CD1 4.09Å; V137-Y152 HydrophobicContact CG2-CE1 3.57Å
138	C	81.1	Confident	83.8	Confident	25 Å²	25	48.2 Å²	48.2	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-28.3	174.7	54.7	0	0	0	0	112.6	P105 D136 E151 L153	P105-C138 WeakPolarHBondContact CG-O 2.98Å; D136-C138 PolarHBondContact O-N 3.23Å; C138-E151 PolarHBondContact N-O 2.78Å; C138-E151 VanDerWaalsContact SG-C 3.58Å; C138-E151 PolarHBondContact SG-O 3.28Å; C138-E151 PolarHBondContact SG-OE1 3.12Å; C138-E151 VanDerWaalsContact SG-OE1 3.37Å; C138-L153 HydrophobicContact CB-CD2 3.57Å; C138-L153 HydrophobicContact CB-CG 3.89Å
139	Y	81.6	Confident	83.9	Confident	45 Å²	45	46.4 Å²	46.4	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.6	178.4	177.7	-106.5	0	0	0	111.2	P104 V137 D141 M149 V150 E151	P104-Y139 HydrophobicContact CB-CD2 3.23Å; P104-Y139 HydrophobicContact CB-CE2 3.27Å; P104-Y139 HydrophobicContact CB-CG 4.2Å; P104-Y139 HydrophobicContact CG-CD2 4.09Å; P104-Y139 HydrophobicContact CG-CE2 3.7Å; V137-Y139 VanDerWaalsContact CG1-O 3.25Å; V137-Y139 WeakPolarHBondContact CG1-O 3.49Å; Y139-D141 HydrophobicContact CE1-CB 3.87Å; Y139-D141 HydrophobicContact CE2-CB 4.48Å; Y139-D141 WeakPolarHBondContact OH-CB 3.44Å; Y139-D141 PolarHBondContact OH-OD2 3.2Å; Y139-M149 HydrophobicContact CE1-SD 4.29Å; Y139-V150 CarbonylContact O-C 3.56Å; Y139-V150 WeakPolarHBondContact O-CA 3.19Å; Y139-E151 HydrophobicContact CD1-CB 4.42Å; Y139-E151 PolarHBondContact N-O 2.9Å; Y139-E151 PolarHBondContact O-N 3.23Å
140	A	87.5	Confident	84.2	Confident	11 Å²	11	42.1 Å²	42.1	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.9	171	0	0	0	0	0	108.5	K128 V137 M149 V150	K128-A140 HydrophobicContact CB-CB 3.89Å; K128-A140 HydrophobicContact CG-CB 4.45Å; V137-A140 HydrophobicContact CG1-CB 4.1Å; A140-M149 CarbonylContact C-O 3.46Å; A140-M149 VanDerWaalsContact CA-O 3.26Å; A140-M149 WeakPolarHBondContact CA-O 3.48Å; A140-V150 HydrophobicContact CB-CG2 4.21Å
141	D	86.6	Confident	84.2	Confident	49 Å²	49	40.8 Å²	40.8	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.2	176.5	-170.3	26	0	0	0	109.4	Y139 G148 M149	Y139-D141 HydrophobicContact CE1-CB 3.87Å; Y139-D141 HydrophobicContact CE2-CB 4.48Å; Y139-D141 WeakPolarHBondContact OH-CB 3.44Å; Y139-D141 PolarHBondContact OH-OD2 3.2Å; D141-G148 CarbonylContact O-C 3.49Å; D141-G148 WeakPolarHBondContact O-CA 3.38Å; D141-M149 PolarHBondContact N-O 3.44Å; D141-M149 PolarHBondContact O-N 3Å
142	V	87.5	Confident	84.2	Confident	32 Å²	32	40.8 Å²	40.8	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.2	177.6	178.1	0	0	0	0	109	L118 G122 W124 L127	L118-V142 HydrophobicContact CD1-CB 4.41Å; L118-V142 HydrophobicContact CD1-CG1 3.8Å; L118-V142 HydrophobicContact CD1-CG2 3.73Å; G122-V142 WeakPolarHBondContact O-CG1 3.15Å; W124-V142 HydrophobicContact CB-CG2 4.11Å; L127-V142 HydrophobicContact CB-CG2 3.98Å; L127-V142 HydrophobicContact CD2-CG2 3.57Å; L127-V142 HydrophobicContact CG-CG2 4.41Å
143	Q	82.6	Confident	83.8	Confident	67 Å²	67	41.1 Å²	41.1	31%	0.313	21%	0.213	S	C	.	.			trans	-88.1	157.2	175.8	-65.7	177.8	90.9	0	0	110.4	D145 G146 V147	Q143-D145 WeakPolarHBondContact CB-OD1 3.48Å; Q143-D145 PolarHBondContact O-N 3.43Å; Q143-D145 VanDerWaalsContact O-N 3.16Å; Q143-G146 PolarHBondContact O-N 2.91Å; Q143-G146 VanDerWaalsContact O-N 3.16Å; Q143-V147 WeakPolarHBondContact CB-O 3.24Å; Q143-V147 PolarHBondContact N-O 3.21Å
144	K	76.6	Confident	83.6	Confident	223 Å²	223	41.9 Å²	41.9	97%	0.97	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.8	-175.6	-65.5	-175	177.7	-173.9	0	114.1	G146	K144-G146 PolarHBondContact O-N 2.92Å
145	D	80.4	Confident	83.5	Confident	109 Å²	109	46.6 Å²	46.6	58%	0.583	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	4.7	176.4	60.2	-13.7	0	0	0	113	Q143 V147	Q143-D145 WeakPolarHBondContact CB-OD1 3.48Å; Q143-D145 PolarHBondContact O-N 3.43Å; Q143-D145 VanDerWaalsContact O-N 3.16Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 WeakPolarHBondContact OD1-CB 3.48Å; D145-V147 PolarHBondContact OD1-N 2.86Å
146	G	79.9	Confident	83.4	Confident	13 Å²	13	50.1 Å²	50.1	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	79	16.3	-177.5	0	0	0	0	0	113.1	L118 Q143 K144	L118-G146 WeakPolarHBondContact CB-O 3.43Å; L118-G146 PolarHBondContact N-O 3.29Å; Q143-G146 PolarHBondContact O-N 2.91Å; Q143-G146 VanDerWaalsContact O-N 3.16Å; K144-G146 PolarHBondContact O-N 2.92Å
147	V	87.6	Confident	83.8	Confident	36 Å²	36	49.2 Å²	49.2	22%	0.218	24%	0.241	C	C	.	.			trans	-102.8	117.2	175.3	-176.4	0	0	0	0	110.3	V115 Q143 D145	V115-V147 CarbonylContact O-C 3.45Å; V115-V147 WeakPolarHBondContact O-CA 3.49Å; Q143-V147 WeakPolarHBondContact CB-O 3.24Å; Q143-V147 PolarHBondContact N-O 3.21Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 WeakPolarHBondContact OD1-CB 3.48Å; D145-V147 PolarHBondContact OD1-N 2.86Å
148	G	89.4	Confident	83.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154.8	168.8	0	0	0	0	0	113.2	L114 V115 D141	L114-G148 WeakPolarHBondContact CA-O 3.21Å; V115-G148 PolarHBondContact N-O 3.4Å; V115-G148 PolarHBondContact O-N 3.29Å; D141-G148 CarbonylContact O-C 3.49Å; D141-G148 WeakPolarHBondContact O-CA 3.38Å
149	M	90.5	Very high	84.2	Confident	31 Å²	31	51.6 Å²	51.6	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.6	166.7	178	179.8	-72.9	0	0	108	L114 Y139 A140 D141	L114-M149 HydrophobicContact CD2-CB 4.18Å; L114-M149 HydrophobicContact CD2-CE 3.89Å; L114-M149 HydrophobicContact CD2-CG 4.38Å; Y139-M149 HydrophobicContact CE1-SD 4.29Å; A140-M149 CarbonylContact C-O 3.46Å; A140-M149 VanDerWaalsContact CA-O 3.26Å; A140-M149 WeakPolarHBondContact CA-O 3.48Å; D141-M149 PolarHBondContact N-O 3.44Å; D141-M149 PolarHBondContact O-N 3Å
150	V	90.2	Very high	84.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136	177	177	0	0	0	0	109.7	R112 V113 V115 L127 M131 V137 Y139 A140 Y152	R112-V150 CarbonylContact C-O 3.43Å; R112-V150 WeakPolarHBondContact CA-O 3.38Å; V113-V150 HydrophobicContact CG2-CB 3.73Å; V113-V150 HydrophobicContact CG2-CG1 4.35Å; V113-V150 PolarHBondContact N-O 3.22Å; V113-V150 PolarHBondContact O-N 3.23Å; V115-V150 HydrophobicContact CG2-CG2 4.3Å; L127-V150 HydrophobicContact CD1-CG2 4.09Å; L127-V150 HydrophobicContact CD2-CG2 3.62Å; L127-V150 HydrophobicContact CG-CG2 3.66Å; M131-V150 HydrophobicContact CB-CG1 3.99Å; M131-V150 HydrophobicContact CB-CG2 4.18Å; M131-V150 HydrophobicContact CE-CB 4.35Å; M131-V150 HydrophobicContact CE-CG1 4.48Å; M131-V150 HydrophobicContact CE-CG2 4.41Å; M131-V150 HydrophobicContact CG-CG2 3.91Å; V137-V150 HydrophobicContact CB-CG1 4.3Å; V137-V150 HydrophobicContact CG1-CG1 3.65Å; V137-V150 HydrophobicContact CG2-CG1 3.73Å; Y139-V150 CarbonylContact O-C 3.56Å; Y139-V150 WeakPolarHBondContact O-CA 3.19Å; A140-V150 HydrophobicContact CB-CG2 4.21Å; V150-Y152 HydrophobicContact CG1-CD2 4.36Å; V150-Y152 HydrophobicContact CG1-CE2 3.86Å
151	E	87.5	Confident	84.4	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	176.6	-162.8	-179.9	106.1	0	0	109.2	R108 S109 R112 V137 C138 Y139	R108-E151 WeakPolarHBondContact CA-OE1 3.41Å; S109-E151 PolarHBondContact N-OE1 3.29Å; S109-E151 WeakPolarHBondContact O-CG 3.44Å; S109-E151 WeakPolarHBondContact OG-CG 3.18Å; S109-E151 PolarHBondContact OG-OE1 2.78Å; R112-E151 HydrophobicContact CG-CB 4.08Å; R112-E151 HydrophobicContact CG-CG 3.73Å; R112-E151 IonicContact CZ-OE2 3.35Å; R112-E151 IonicContact NE-OE2 3.03Å; R112-E151 PolarHBondContact NE-OE2 2.87Å; R112-E151 IonicContact NH2-OE2 2.98Å; R112-E151 PolarHBondContact NH2-OE2 3.35Å; V137-E151 CarbonylContact C-O 3.58Å; V137-E151 WeakPolarHBondContact CA-O 3.35Å; C138-E151 PolarHBondContact N-O 2.78Å; C138-E151 VanDerWaalsContact SG-C 3.58Å; C138-E151 PolarHBondContact SG-O 3.28Å; C138-E151 PolarHBondContact SG-OE1 3.12Å; C138-E151 VanDerWaalsContact SG-OE1 3.37Å; Y139-E151 HydrophobicContact CD1-CB 4.42Å; Y139-E151 PolarHBondContact N-O 2.9Å; Y139-E151 PolarHBondContact O-N 3.23Å
152	Y	85.5	Confident	84.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	148.6	177.2	-71.3	-80.9	0	0	0	111.2	S109 F111 V113 M131 A134 D136 V137 V150 R154 D157 M158 A161	S109-Y152 WeakPolarHBondContact CB-O 3.35Å; S109-Y152 PolarHBondContact OG-O 3.4Å; F111-Y152 PolarHBondContact O-N 3.45Å; V113-Y152 HydrophobicContact CG1-CE2 4.36Å; V113-Y152 HydrophobicContact CG2-CE2 3.93Å; M131-Y152 WeakPolarHBondContact CB-OH 3.41Å; M131-Y152 HydrophobicContact CE-CE2 4.41Å; M131-Y152 WeakPolarHBondContact CE-OH 3.42Å; M131-Y152 WeakPolarHBondContact O-CE1 3.26Å; M131-Y152 PolarHBondContact O-OH 3.22Å; A134-Y152 HydrophobicContact CB-CE1 3.95Å; D136-Y152 WeakPolarHBondContact O-CA 3.36Å; V137-Y152 HydrophobicContact CG2-CD1 4.09Å; V137-Y152 HydrophobicContact CG2-CE1 3.57Å; V150-Y152 HydrophobicContact CG1-CD2 4.36Å; V150-Y152 HydrophobicContact CG1-CE2 3.86Å; Y152-R154 PolarHBondContact O-N 2.83Å; Y152-D157 HydrophobicContact CD1-CB 3.65Å; Y152-D157 HydrophobicContact CE1-CB 4.35Å; Y152-D157 HydrophobicContact CG-CB 4Å; Y152-M158 HydrophobicContact CD2-CB 3.84Å; Y152-M158 HydrophobicContact CD2-CG 4.32Å; Y152-M158 HydrophobicContact CG-CB 4.34Å; Y152-A161 HydrophobicContact CE2-CB 3.53Å; Y152-A161 WeakPolarHBondContact OH-CB 3.42Å
153	L	77.7	Confident	84.5	Confident	89 Å²	89	56.3 Å²	56.3	47%	0.466	26%	0.26	S	S	.	.	S	Bend	trans	-66.9	-25.7	172.7	-71.8	178.9	0	0	0	113	D136 C138	D136-L153 HydrophobicContact CB-CB 4.23Å; D136-L153 HydrophobicContact CB-CD1 3.76Å; D136-L153 HydrophobicContact CB-CG 4.14Å; D136-L153 PolarHBondContact O-N 3.11Å; C138-L153 HydrophobicContact CB-CD2 3.57Å; C138-L153 HydrophobicContact CB-CG 3.89Å
154	R	76.6	Confident	84.6	Confident	93 Å²	93	57.8 Å²	57.8	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-129	147.5	-174	-62.1	-174	176.4	89.9	0.3	112.2	D136 Y152 E156 D157 M158	D136-R154 IonicContact OD2-NH1 3.45Å; Y152-R154 PolarHBondContact O-N 2.83Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 WeakPolarHBondContact CB-OE2 3.5Å; R154-E156 PolarHBondContact O-N 3.4Å; R154-D157 HydrophobicContact CB-CB 4.38Å; R154-D157 PolarHBondContact O-N 2.81Å; R154-M158 PolarHBondContact O-N 3.26Å
155	K	81.2	Confident	85.1	Confident	100 Å²	100	47.2 Å²	47.2	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-40	177.3	-172.4	172.6	-179.2	-89.7	0	111.6	F111 D157 M158 E159	F111-K155 HydrophobicContact CD1-CB 3.7Å; F111-K155 HydrophobicContact CD1-CG 4.05Å; F111-K155 HydrophobicContact CE1-CB 3.51Å; F111-K155 HydrophobicContact CE1-CD 4.24Å; F111-K155 HydrophobicContact CE1-CG 3.99Å; F111-K155 HydrophobicContact CE2-CB 4.45Å; F111-K155 HydrophobicContact CG-CB 4.27Å; F111-K155 HydrophobicContact CZ-CB 3.91Å; K155-D157 VanDerWaalsContact C-N 3.31Å; K155-D157 PolarHBondContact O-N 2.86Å; K155-M158 HydrophobicContact CG-CE 4.45Å; K155-M158 WeakPolarHBondContact O-CB 3.49Å; K155-M158 PolarHBondContact O-N 3.34Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 IonicContact NZ-OE1 3.12Å; K155-E159 PolarHBondContact NZ-OE1 2.84Å; K155-E159 WeakPolarHBondContact O-CG 3.48Å; K155-E159 PolarHBondContact O-N 2.85Å
156	E	81.1	Confident	85.5	Confident	87 Å²	87	44.4 Å²	44.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-68.4	-34.6	-176.3	-53.3	74.7	-143.1	0	0	111.1	R81 R154 E159 Y160	R81-E156 IonicContact NH1-OE2 3.9Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 WeakPolarHBondContact CB-OE2 3.5Å; R154-E156 PolarHBondContact O-N 3.4Å; E156-E159 PolarHBondContact O-N 2.8Å; E156-Y160 VanDerWaalsContact O-CB 3.3Å; E156-Y160 WeakPolarHBondContact O-CB 3.3Å; E156-Y160 PolarHBondContact O-N 2.87Å
157	D	85.3	Confident	86	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-42.1	175.7	-61.5	-7.5	0	0	0	110.3	R81 D136 Y152 R154 K155 Y160 A161	R81-D157 IonicContact CZ-OD1 3.23Å; R81-D157 IonicContact NH1-OD1 3.67Å; R81-D157 PolarHBondContact NH1-OD1 3.09Å; D136-D157 PolarHBondContact N-OD2 3.39Å; Y152-D157 HydrophobicContact CD1-CB 3.65Å; Y152-D157 HydrophobicContact CE1-CB 4.35Å; Y152-D157 HydrophobicContact CG-CB 4Å; R154-D157 HydrophobicContact CB-CB 4.38Å; R154-D157 PolarHBondContact O-N 2.81Å; K155-D157 VanDerWaalsContact C-N 3.31Å; K155-D157 PolarHBondContact O-N 2.86Å; D157-Y160 PolarHBondContact O-N 2.91Å; D157-A161 WeakPolarHBondContact O-CB 3.5Å; D157-A161 PolarHBondContact O-N 3.47Å
158	M	86.5	Confident	86.1	Confident	25 Å²	25	47.1 Å²	47.1	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-47.2	173	-177.2	-156.8	70.4	0	0	111.8	F111 V113 Y152 R154 K155 Y160 A161 L162	F111-M158 VanDerWaalsContact C-SD 3.56Å; F111-M158 VanDerWaalsContact CA-SD 3.53Å; F111-M158 HydrophobicContact CB-CB 3.94Å; F111-M158 HydrophobicContact CB-CG 4.33Å; F111-M158 HydrophobicContact CB-SD 3.95Å; V113-M158 HydrophobicContact CG1-CG 3.48Å; V113-M158 VanDerWaalsContact CG1-CG 3.48Å; Y152-M158 HydrophobicContact CD2-CB 3.84Å; Y152-M158 HydrophobicContact CD2-CG 4.32Å; Y152-M158 HydrophobicContact CG-CB 4.34Å; R154-M158 PolarHBondContact O-N 3.26Å; K155-M158 HydrophobicContact CG-CE 4.45Å; K155-M158 WeakPolarHBondContact O-CB 3.49Å; K155-M158 PolarHBondContact O-N 3.34Å; M158-Y160 VanDerWaalsContact C-N 3.3Å; M158-Y160 PolarHBondContact O-N 3.21Å; M158-A161 WeakPolarHBondContact O-CB 3.42Å; M158-A161 PolarHBondContact O-N 2.77Å; M158-L162 HydrophobicContact CE-CD1 4.39Å; M158-L162 HydrophobicContact CG-CD1 4.46Å; M158-L162 VanDerWaalsContact O-CG 3.31Å; M158-L162 WeakPolarHBondContact O-CG 3.32Å; M158-L162 PolarHBondContact O-N 3.44Å
159	E	86.8	Confident	86.1	Confident	65 Å²	65	52.7 Å²	52.7	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-34.1	177.4	-73.1	176.7	176.6	0	0	112.5	K155 E156 R163	K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 IonicContact NZ-OE1 3.12Å; K155-E159 PolarHBondContact NZ-OE1 2.84Å; K155-E159 WeakPolarHBondContact O-CG 3.48Å; K155-E159 PolarHBondContact O-N 2.85Å; E156-E159 PolarHBondContact O-N 2.8Å; E159-R163 WeakPolarHBondContact O-CG 3.12Å; E159-R163 PolarHBondContact O-N 2.75Å; E159-R163 PolarHBondContact O-NE 3.25Å
160	Y	85.3	Confident	86.1	Confident	24 Å²	24	51.2 Å²	51.2	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-45.5	172.6	-174.4	-80.6	0	0	0	110.5	Q79 A134 E156 D157 M158 L162 R163 K164	Q79-Y160 PolarHBondContact O-OH 3.08Å; A134-Y160 VanDerWaalsContact CA-CD1 3.45Å; A134-Y160 HydrophobicContact CB-CD1 3.6Å; A134-Y160 HydrophobicContact CB-CE1 4.31Å; E156-Y160 VanDerWaalsContact O-CB 3.3Å; E156-Y160 WeakPolarHBondContact O-CB 3.3Å; E156-Y160 PolarHBondContact O-N 2.87Å; D157-Y160 PolarHBondContact O-N 2.91Å; M158-Y160 VanDerWaalsContact C-N 3.3Å; M158-Y160 PolarHBondContact O-N 3.21Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 3.43Å; Y160-R163 PolarHBondContact O-N 2.86Å; Y160-R163 VanDerWaalsContact O-N 3.08Å; Y160-K164 HydrophobicContact CD1-CB 4.03Å; Y160-K164 HydrophobicContact CD1-CG 4.19Å; Y160-K164 HydrophobicContact CD2-CG 4.25Å; Y160-K164 HydrophobicContact CE1-CB 3.69Å; Y160-K164 HydrophobicContact CE1-CG 3.85Å; Y160-K164 HydrophobicContact CE2-CG 3.87Å; Y160-K164 HydrophobicContact CG-CG 4.41Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 2.69Å
161	A	88.7	Confident	86.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-45.6	176.1	0	0	0	0	0	111.9	M131 A134 Y152 D157 M158 R163 L165	M131-A161 HydrophobicContact CE-CB 4.19Å; A134-A161 HydrophobicContact CB-CB 3.5Å; A134-A161 VanDerWaalsContact CB-CB 3.5Å; Y152-A161 HydrophobicContact CE2-CB 3.53Å; Y152-A161 WeakPolarHBondContact OH-CB 3.42Å; D157-A161 WeakPolarHBondContact O-CB 3.5Å; D157-A161 PolarHBondContact O-N 3.47Å; M158-A161 WeakPolarHBondContact O-CB 3.42Å; M158-A161 PolarHBondContact O-N 2.77Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.3Å; A161-L165 HydrophobicContact CB-CD1 4.16Å; A161-L165 WeakPolarHBondContact O-CA 3.27Å; A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 PolarHBondContact O-N 2.78Å
162	L	88.2	Confident	86	Confident	40 Å²	40	59.6 Å²	59.6	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-33.5	178	-68.8	171	0	0	0	113.4	V113 M158 Y160 V182 P184	V113-L162 HydrophobicContact CB-CD2 4.45Å; V113-L162 HydrophobicContact CG1-CD1 4.47Å; V113-L162 HydrophobicContact CG1-CD2 3.84Å; V113-L162 HydrophobicContact CG1-CG 3.95Å; M158-L162 HydrophobicContact CE-CD1 4.39Å; M158-L162 HydrophobicContact CG-CD1 4.46Å; M158-L162 VanDerWaalsContact O-CG 3.31Å; M158-L162 WeakPolarHBondContact O-CG 3.32Å; M158-L162 PolarHBondContact O-N 3.44Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 3.43Å; L162-V182 HydrophobicContact CD2-CG1 3.94Å; L162-P184 HydrophobicContact CD1-CB 3.92Å; L162-P184 HydrophobicContact CD1-CG 4.44Å; L162-P184 HydrophobicContact CD2-CB 4.38Å; L162-P184 VanDerWaalsContact CD2-N 3.3Å
163	R	86.4	Confident	86	Confident	171 Å²	171	65.5 Å²	65.5	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-87.6	-29.8	-177.4	-72.9	178.4	-69.2	175.1	-0.7	113.5	E159 Y160 A161	E159-R163 WeakPolarHBondContact O-CG 3.12Å; E159-R163 PolarHBondContact O-N 2.75Å; E159-R163 PolarHBondContact O-NE 3.25Å; Y160-R163 PolarHBondContact O-N 2.86Å; Y160-R163 VanDerWaalsContact O-N 3.08Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.3Å
164	K	85.4	Confident	86.2	Confident	99 Å²	99	67.7 Å²	67.7	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-116.8	-28.1	-168.6	-68.1	-63.5	-169.3	177.5	0	114.3	Y160 T168	Y160-K164 HydrophobicContact CD1-CB 4.03Å; Y160-K164 HydrophobicContact CD1-CG 4.19Å; Y160-K164 HydrophobicContact CD2-CG 4.25Å; Y160-K164 HydrophobicContact CE1-CB 3.69Å; Y160-K164 HydrophobicContact CE1-CG 3.85Å; Y160-K164 HydrophobicContact CE2-CG 3.87Å; Y160-K164 HydrophobicContact CG-CG 4.41Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 2.69Å; K164-T168 VanDerWaalsContact O-CG2 3.26Å; K164-T168 WeakPolarHBondContact O-CG2 3.46Å
165	L	88.1	Confident	86.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-10	-179.8	-56.5	-176.2	0	0	0	113.2	M131 E133 A134 A161 T168 V182	M131-L165 HydrophobicContact CB-CD1 4.47Å; M131-L165 HydrophobicContact CE-CD1 4.2Å; M131-L165 HydrophobicContact SD-CB 4.12Å; M131-L165 HydrophobicContact SD-CD1 3.58Å; M131-L165 VanDerWaalsContact SD-CD1 3.58Å; E133-L165 HydrophobicContact CB-CD2 4.02Å; E133-L165 HydrophobicContact CG-CD2 4.12Å; A134-L165 HydrophobicContact CB-CD1 3.6Å; A134-L165 HydrophobicContact CB-CG 4.24Å; A161-L165 HydrophobicContact CB-CD1 4.16Å; A161-L165 WeakPolarHBondContact O-CA 3.27Å; A161-L165 VanDerWaalsContact O-CB 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.29Å; A161-L165 PolarHBondContact O-N 2.78Å; L165-T168 HydrophobicContact CD2-CG2 4.42Å; L165-T168 PolarHBondContact O-N 2.56Å; L165-T168 PolarHBondContact O-OG1 2.82Å; L165-V182 HydrophobicContact CB-CG2 4.2Å; L165-V182 WeakPolarHBondContact O-CG2 3.38Å
166	D	88.5	Confident	86.8	Confident	50 Å²	50	64.9 Å²	64.9	27%	0.267	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	137.2	166.8	-170.1	60.9	0	0	0	110.8	T168 R181 V182	D166-T168 PolarHBondContact O-N 3.42Å; D166-R181 VanDerWaalsContact OD1-CA 3.24Å; D166-R181 WeakPolarHBondContact OD1-CA 3.5Å; D166-R181 WeakPolarHBondContact OD1-CD 3.4Å; D166-R181 IonicContact OD2-NH1 2.71Å; D166-R181 PolarHBondContact OD2-NH1 3.09Å; D166-R181 VanDerWaalsContact OD2-NH1 3.12Å; D166-V182 HydrophobicContact CB-CB 4.4Å; D166-V182 PolarHBondContact OD1-N 2.78Å
167	D	89.7	Confident	87.2	Confident	76 Å²	76	63.8 Å²	63.8	41%	0.406	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	23.8	-178.5	-136.6	7.2	0	0	0	114.9	Y179 I180 R181	D167-Y179 WeakPolarHBondContact O-CD1 3.3Å; D167-I180 VanDerWaalsContact CA-O 3.25Å; D167-I180 WeakPolarHBondContact CA-O 3.25Å; D167-I180 PolarHBondContact N-O 2.84Å; D167-R181 VanDerWaalsContact CG-CZ 3.42Å; D167-R181 VanDerWaalsContact CG-NH1 3.3Å; D167-R181 IonicContact OD1-CZ 3.26Å; D167-R181 IonicContact OD1-NE 3.95Å; D167-R181 IonicContact OD1-NH1 3.65Å; D167-R181 IonicContact OD1-NH2 3.96Å; D167-R181 PolarHBondContact OD1-NH2 3.27Å; D167-R181 IonicContact OD2-CZ 3.63Å; D167-R181 IonicContact OD2-NH1 2.76Å; D167-R181 PolarHBondContact OD2-NH1 2.66Å; D167-R181 IonicContact OD2-NH2 3.13Å; D167-R181 PolarHBondContact OD2-NH2 2.77Å
168	T	89.9	Confident	87.4	Confident	30 Å²	30	64.8 Å²	64.8	18%	0.184	31%	0.313	C	S	.	.			trans	-85.5	152.1	174.1	57.5	0	0	0	0	111.9	H130 K164 L165 D166 F170 Y179 I180	H130-T168 PolarHBondContact NE2-OG1 3.16Å; K164-T168 VanDerWaalsContact O-CG2 3.26Å; K164-T168 WeakPolarHBondContact O-CG2 3.46Å; L165-T168 HydrophobicContact CD2-CG2 4.42Å; L165-T168 PolarHBondContact O-N 2.56Å; L165-T168 PolarHBondContact O-OG1 2.82Å; D166-T168 PolarHBondContact O-N 3.42Å; T168-F170 PolarHBondContact O-N 2.68Å; T168-Y179 WeakPolarHBondContact O-CA 3.26Å; T168-I180 WeakPolarHBondContact O-CG1 3.28Å; T168-I180 PolarHBondContact O-N 2.68Å
169	K	90.3	Very high	87.7	Confident	117 Å²	117	70.9 Å²	70.9	51%	0.509	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	107.2	177.3	-173.8	173.1	-177.7	172.4	0	109.9	H130 T177 S178 Y179	H130-K169 PolarHBondContact CE1-O 2.83Å; K169-T177 WeakPolarHBondContact CE-OG1 3.24Å; K169-S178 CarbonylContact C-O 3.59Å; K169-Y179 HydrophobicContact CB-CE1 4.38Å
170	F	90.4	Very high	88	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	147.1	172.3	179.6	-96.1	0	0	0	111.2	L118 P119 D126 L127 H130 T168 T177 S178 I180	L118-F170 HydrophobicContact CD2-CD1 3.9Å; L118-F170 HydrophobicContact CD2-CD2 3.99Å; L118-F170 HydrophobicContact CD2-CE1 3.83Å; L118-F170 HydrophobicContact CD2-CE2 3.95Å; L118-F170 HydrophobicContact CD2-CG 3.94Å; L118-F170 HydrophobicContact CD2-CZ 3.81Å; P119-F170 HydrophobicContact CG-CD1 3.72Å; P119-F170 HydrophobicContact CG-CE1 3.65Å; D126-F170 HydrophobicContact CB-CE1 4.34Å; D126-F170 HydrophobicContact CB-CE2 3.96Å; D126-F170 HydrophobicContact CB-CZ 3.42Å; D126-F170 VanDerWaalsContact CB-CZ 3.42Å; L127-F170 HydrophobicContact CB-CE2 4.43Å; H130-F170 HydrophobicContact CB-CD2 3.89Å; H130-F170 HydrophobicContact CB-CE2 4.05Å; H130-F170 AromaticContact CG-CD2 3.84Å; T168-F170 PolarHBondContact O-N 2.68Å; F170-T177 CarbonylContact O-C 3.43Å; F170-T177 WeakPolarHBondContact O-CA 3.46Å; F170-T177 WeakPolarHBondContact O-CB 3.07Å; F170-S178 PolarHBondContact N-O 2.85Å; F170-S178 PolarHBondContact O-N 2.86Å; F170-S178 VanDerWaalsContact O-N 3.08Å; F170-I180 HydrophobicContact CB-CB 4.49Å; F170-I180 HydrophobicContact CB-CG1 4.39Å; F170-I180 HydrophobicContact CB-CG2 3.44Å; F170-I180 VanDerWaalsContact CB-CG2 3.44Å; F170-I180 HydrophobicContact CD2-CG2 4.47Å; F170-I180 HydrophobicContact CG-CG2 3.97Å
171	R	88.3	Confident	88.3	Confident	176 Å²	176	70.9 Å²	70.9	66%	0.664	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	175	-177.7	-178.7	-63.5	166.5	2.6	109.7	E176 T177	R171-E176 CarbonylContact C-O 3.58Å; R171-E176 WeakPolarHBondContact CA-O 3.46Å; R171-T177 HydrophobicContact CB-CG2 4.01Å; R171-T177 HydrophobicContact CG-CG2 3.95Å
172	S	86.7	Confident	88.4	Confident	4 Å²	4	71.1 Å²	71.1	3%	0.028	33%	0.334	C	S	.	.			trans	-82.3	163.7	171.6	71.8	0	0	0	0	111.9	S121 E174 G175 E176	S121-S172 WeakPolarHBondContact OG-CB 3.39Å; S121-S172 PolarHBondContact OG-OG 3.08Å; S172-E174 PolarHBondContact O-N 3.44Å; S172-E174 PolarHBondContact OG-N 3.24Å; S172-G175 PolarHBondContact O-N 2.94Å; S172-E176 PolarHBondContact N-O 3.23Å; S172-E176 WeakPolarHBondContact OG-CB 2.96Å; S172-E176 PolarHBondContact OG-N 3.49Å; S172-E176 PolarHBondContact OG-O 3.16Å
173	H	84.3	Confident	88.4	Confident	124 Å²	124	74.8 Å²	74.8	57%	0.574	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.3	172.1	68.8	-75.4	0	0	0	114	S121 D126 G175	S121-H173 PolarHBondContact O-CE1 3.23Å; S121-H173 VanDerWaalsContact O-CE1 3.23Å; S121-H173 PolarHBondContact O-ND1 3.11Å; D126-H173 PolarHBondContact OD1-N 3.35Å; D126-H173 IonicContact OD2-CG 3.82Å; D126-H173 PolarHBondContact OD2-N 3Å; D126-H173 VanDerWaalsContact OD2-N 3.11Å; D126-H173 IonicContact OD2-ND1 2.65Å; D126-H173 PolarHBondContact OD2-ND1 3.35Å; H173-G175 PolarHBondContact O-N 2.91Å
174	E	83.2	Confident	88.4	Confident	134 Å²	134	69.5 Å²	69.5	63%	0.626	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	0.5	174.8	-58.9	-161.9	124.1	0	0	112.9	S121 S172 E176	S121-E174 WeakPolarHBondContact CB-OE2 3.32Å; S172-E174 PolarHBondContact O-N 3.44Å; S172-E174 PolarHBondContact OG-N 3.24Å; E174-E176 VanDerWaalsContact C-N 3.32Å
175	G	83.4	Confident	88	Confident	52 Å²	52	67 Å²	67	54%	0.536	32%	0.323	S	S	.	.	S	Bend	trans	83.9	2	179.1	0	0	0	0	0	114.4	S172 H173	S172-G175 PolarHBondContact O-N 2.94Å; H173-G175 PolarHBondContact O-N 2.91Å
176	E	87.2	Confident	86.6	Confident	82 Å²	82	76.9 Å²	76.9	38%	0.383	36%	0.361	S	S	.	.			trans	-67.6	142.7	170.6	-60	-172.8	150.8	0	0	109.7	P119 P120 S121 R171 S172 E174	P119-E176 HydrophobicContact CB-CB 3.92Å; P119-E176 WeakPolarHBondContact CB-OE2 3.44Å; P119-E176 HydrophobicContact CG-CB 4.4Å; P120-E176 WeakPolarHBondContact CD-OE2 3.32Å; S121-E176 VanDerWaalsContact CB-OE2 3.3Å; S121-E176 WeakPolarHBondContact CB-OE2 3.33Å; S121-E176 PolarHBondContact N-OE2 3.16Å; S121-E176 WeakPolarHBondContact OG-CB 3.31Å; S121-E176 VanDerWaalsContact OG-CD 3.23Å; S121-E176 WeakPolarHBondContact OG-CG 3.33Å; S121-E176 PolarHBondContact OG-OE2 2.82Å; R171-E176 CarbonylContact C-O 3.58Å; R171-E176 WeakPolarHBondContact CA-O 3.46Å; S172-E176 PolarHBondContact N-O 3.23Å; S172-E176 WeakPolarHBondContact OG-CB 2.96Å; S172-E176 PolarHBondContact OG-N 3.49Å; S172-E176 PolarHBondContact OG-O 3.16Å; E174-E176 VanDerWaalsContact C-N 3.32Å
177	T	89.5	Confident	84.5	Confident	64 Å²	64	80.2 Å²	80.2	39%	0.393	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.5	177.3	65.3	0	0	0	0	111.2	K169 F170 R171	K169-T177 WeakPolarHBondContact CE-OG1 3.24Å; F170-T177 CarbonylContact O-C 3.43Å; F170-T177 WeakPolarHBondContact O-CA 3.46Å; F170-T177 WeakPolarHBondContact O-CB 3.07Å; R171-T177 HydrophobicContact CB-CG2 4.01Å; R171-T177 HydrophobicContact CG-CG2 3.95Å
178	S	89.7	Confident	81.9	Confident	27 Å²	27	80.4 Å²	80.4	19%	0.189	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.7	176.2	64.9	0	0	0	0	110.4	G117 P119 K169 F170	G117-S178 VanDerWaalsContact O-CB 3.25Å; G117-S178 WeakPolarHBondContact O-CB 3.07Å; G117-S178 PolarHBondContact O-OG 2.81Å; P119-S178 VanDerWaalsContact CD-OG 3.27Å; P119-S178 WeakPolarHBondContact CD-OG 3.42Å; K169-S178 CarbonylContact C-O 3.59Å; F170-S178 PolarHBondContact N-O 2.85Å; F170-S178 PolarHBondContact O-N 2.86Å; F170-S178 VanDerWaalsContact O-N 3.08Å
179	Y	91.7	Very high	79.1	Confident	153 Å²	153	85 Å²	85	60%	0.6	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.6	169.6	-73.6	-88.9	0	0	0	108.7	D167 T168 K169	D167-Y179 WeakPolarHBondContact O-CD1 3.3Å; T168-Y179 WeakPolarHBondContact O-CA 3.26Å; K169-Y179 HydrophobicContact CB-CE1 4.38Å
180	I	92.3	Very high	76.4	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	43%	0.426	C	S	.	.			trans	-97.1	153	177.6	58.2	160.4	0	0	0	111.1	V115 S116 L118 M131 D167 T168 F170 V182	V115-I180 HydrophobicContact CG1-CB 3.78Å; V115-I180 HydrophobicContact CG1-CD1 3.8Å; V115-I180 HydrophobicContact CG1-CG1 4.39Å; V115-I180 HydrophobicContact CG1-CG2 3.97Å; S116-I180 CarbonylContact O-C 3.56Å; S116-I180 VanDerWaalsContact O-CA 3.28Å; S116-I180 WeakPolarHBondContact O-CA 3.45Å; L118-I180 HydrophobicContact CD2-CG2 3.65Å; L118-I180 HydrophobicContact CG-CG2 4.4Å; M131-I180 HydrophobicContact SD-CD1 4.21Å; D167-I180 VanDerWaalsContact CA-O 3.25Å; D167-I180 WeakPolarHBondContact CA-O 3.25Å; D167-I180 PolarHBondContact N-O 2.84Å; T168-I180 WeakPolarHBondContact O-CG1 3.28Å; T168-I180 PolarHBondContact O-N 2.68Å; F170-I180 HydrophobicContact CB-CB 4.49Å; F170-I180 HydrophobicContact CB-CG1 4.39Å; F170-I180 HydrophobicContact CB-CG2 3.44Å; F170-I180 VanDerWaalsContact CB-CG2 3.44Å; F170-I180 HydrophobicContact CD2-CG2 4.47Å; F170-I180 HydrophobicContact CG-CG2 3.97Å; I180-V182 HydrophobicContact CD1-CG2 4.06Å
181	R	91.5	Very high	73.6	Confident	89 Å²	89	87.7 Å²	87.7	34%	0.336	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.3	169.6	-66	-71.1	-177.7	-166.7	-14.5	110.1	V115 S116 D166 D167 Y183	V115-R181 CarbonylContact C-O 3.49Å; V115-R181 VanDerWaalsContact CA-O 3.24Å; V115-R181 WeakPolarHBondContact CA-O 3.02Å; S116-R181 PolarHBondContact N-O 3.32Å; S116-R181 PolarHBondContact O-N 2.91Å; D166-R181 VanDerWaalsContact OD1-CA 3.24Å; D166-R181 WeakPolarHBondContact OD1-CA 3.5Å; D166-R181 WeakPolarHBondContact OD1-CD 3.4Å; D166-R181 IonicContact OD2-NH1 2.71Å; D166-R181 PolarHBondContact OD2-NH1 3.09Å; D166-R181 VanDerWaalsContact OD2-NH1 3.12Å; D167-R181 VanDerWaalsContact CG-CZ 3.42Å; D167-R181 VanDerWaalsContact CG-NH1 3.3Å; D167-R181 IonicContact OD1-CZ 3.26Å; D167-R181 IonicContact OD1-NE 3.95Å; D167-R181 IonicContact OD1-NH1 3.65Å; D167-R181 IonicContact OD1-NH2 3.96Å; D167-R181 PolarHBondContact OD1-NH2 3.27Å; D167-R181 IonicContact OD2-CZ 3.63Å; D167-R181 IonicContact OD2-NH1 2.76Å; D167-R181 PolarHBondContact OD2-NH1 2.66Å; D167-R181 IonicContact OD2-NH2 3.13Å; D167-R181 PolarHBondContact OD2-NH2 2.77Å; R181-Y183 HydrophobicContact CB-CD2 4.22Å; R181-Y183 HydrophobicContact CB-CE2 3.29Å; R181-Y183 VanDerWaalsContact CB-OH 3.32Å; R181-Y183 WeakPolarHBondContact CB-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE2 4.26Å; R181-Y183 WeakPolarHBondContact CG-OH 3.46Å
182	V	91.9	Very high	71.1	Confident	6 Å²	6	84.9 Å²	84.9	4%	0.036	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.6	-176	-169.2	0	0	0	0	109.2	V113 L114 V115 M131 L162 L165 D166 I180	V113-V182 HydrophobicContact CB-CG1 3.76Å; V113-V182 HydrophobicContact CG1-CG1 4.17Å; V113-V182 HydrophobicContact CG2-CG1 3.84Å; L114-V182 WeakPolarHBondContact O-CA 3.25Å; V115-V182 HydrophobicContact CG2-CG1 4.41Å; V115-V182 HydrophobicContact CG2-CG2 4.3Å; M131-V182 HydrophobicContact CE-CG1 3.8Å; M131-V182 HydrophobicContact CE-CG2 4.14Å; M131-V182 HydrophobicContact SD-CG2 4.31Å; L162-V182 HydrophobicContact CD2-CG1 3.94Å; L165-V182 HydrophobicContact CB-CG2 4.2Å; L165-V182 WeakPolarHBondContact O-CG2 3.38Å; D166-V182 HydrophobicContact CB-CB 4.4Å; D166-V182 PolarHBondContact OD1-N 2.78Å; I180-V182 HydrophobicContact CD1-CG2 4.06Å
183	Y	88.6	Confident	68.6	Low	117 Å²	117	89.3 Å²	89.3	46%	0.459	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.1	-177.5	-54.6	-76.3	0	0	0	111	V113 L114 R181 E185	V113-Y183 CarbonylContact C-O 3.57Å; V113-Y183 WeakPolarHBondContact CA-O 3.23Å; L114-Y183 PolarHBondContact N-O 2.9Å; L114-Y183 PolarHBondContact O-N 2.62Å; R181-Y183 HydrophobicContact CB-CD2 4.22Å; R181-Y183 HydrophobicContact CB-CE2 3.29Å; R181-Y183 VanDerWaalsContact CB-OH 3.32Å; R181-Y183 WeakPolarHBondContact CB-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE2 4.26Å; R181-Y183 WeakPolarHBondContact CG-OH 3.46Å; Y183-E185 PolarHBondContact O-N 3.03Å
184	P	86	Confident	66.5	Low	59 Å²	59	89.6 Å²	89.6	38%	0.383	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.9	174.9	27.7	-31.9	0	0	0	108.9	L162 R186	L162-P184 HydrophobicContact CD1-CB 3.92Å; L162-P184 HydrophobicContact CD1-CG 4.44Å; L162-P184 HydrophobicContact CD2-CB 4.38Å; L162-P184 VanDerWaalsContact CD2-N 3.3Å; P184-R186 PolarHBondContact O-N 3.42Å
185	E	77.5	Confident	64.1	Low	47 Å²	47	88.2 Å²	88.2	22%	0.22	47%	0.468	C	S	.	.			trans	-66.5	100	166.5	-169.7	-155.4	-153.7	0	0	107.8	R112 Y183 S187	R112-E185 HydrophobicContact CB-CB 3.91Å; R112-E185 WeakPolarHBondContact CD-OE2 3.48Å; R112-E185 PolarHBondContact O-N 3.24Å; R112-E185 VanDerWaalsContact O-N 3.09Å; Y183-E185 PolarHBondContact O-N 3.03Å; E185-S187 PolarHBondContact O-N 2.91Å
186	R	58.2	Low	62	Low	208 Å²	208	95.5 Å²	95.5	79%	0.785	48%	0.48	S	S	*	.			trans	-68	121.6	171.1	-70.1	-177	-176.5	-116.4	1	107.1	P184 T188	P184-R186 PolarHBondContact O-N 3.42Å; R186-T188 WeakPolarHBondContact O-CA 3.41Å; R186-T188 WeakPolarHBondContact O-CB 3.32Å; R186-T188 WeakPolarHBondContact O-CG2 3.24Å; R186-T188 PolarHBondContact O-N 3.27Å; R186-T188 PolarHBondContact O-OG1 2.87Å
187	S	43.7	Very low	59.4	Low	120 Å²	120	97.4 Å²	97.4	84%	0.839	50%	0.502	S	S	*	.			trans	-34	94.5	-177	-55	0	0	0	0	112.1	E185	E185-S187 PolarHBondContact O-N 2.91Å
188	T	34.7	Very low	56.8	Low	80 Å²	80	97.2 Å²	97.2	49%	0.491	51%	0.513	S	S	.	.			trans	-110.1	71.2	-173.3	17.2	0	0	0	0	106.5	R186 Y190	R186-T188 WeakPolarHBondContact O-CA 3.41Å; R186-T188 WeakPolarHBondContact O-CB 3.32Å; R186-T188 WeakPolarHBondContact O-CG2 3.24Å; R186-T188 PolarHBondContact O-N 3.27Å; R186-T188 PolarHBondContact O-OG1 2.87Å; T188-Y190 WeakPolarHBondContact O-CD1 3.37Å; T188-Y190 PolarHBondContact O-N 3.24Å
189	S	31.4	Very low	54.2	Low	125 Å²	125	101 Å²	101	87%	0.874	54%	0.539	S	S	*	.			trans	-57.9	83.9	163.3	39.7	0	0	0	0	109.5
190	Y	34.3	Very low	51.6	Low	133 Å²	133	105.5 Å²	105.5	52%	0.522	56%	0.555	S	S	.	*			trans	-110.9	-25.3	173.7	68.3	-99.7	0	0	0	112.9	T188	T188-Y190 WeakPolarHBondContact O-CD1 3.37Å; T188-Y190 PolarHBondContact O-N 3.24Å
191	G	32.3	Very low	49	Very low	42 Å²	42	108.8 Å²	108.8	43%	0.433	59%	0.589	S	S	.	*			trans	96.7	117.5	178.2	0	0	0	0	0	113.1	S193	G191-S193 PolarHBondContact O-N 2.86Å
192	Y	34.6	Very low	46.4	Very low	117 Å²	117	116 Å²	116	46%	0.459	62%	0.617	S	S	.	*			trans	-77.2	41.5	179.6	-146.6	-94.2	0	0	0	111.9	R194	Y192-R194 HydrophobicContact CD1-CG 4.18Å; Y192-R194 HydrophobicContact CE1-CG 4.21Å; Y192-R194 PolarHBondContact O-N 2.9Å; Y192-R194 PolarHBondContact OH-NH1 3.48Å
193	S	34	Very low	44	Very low	97 Å²	97	122.7 Å²	122.7	68%	0.678	65%	0.652	S	S	*	*			trans	-67.6	53	178.1	-46	0	0	0	0	111.1	G191 S195	G191-S193 PolarHBondContact O-N 2.86Å; S193-S195 PolarHBondContact O-N 2.91Å; S193-S195 PolarHBondContact O-OG 2.85Å
194	R	39.7	Very low	41.7	Very low	129 Å²	129	120.6 Å²	120.6	49%	0.487	66%	0.655	S	S	.	*			trans	-81.1	59.4	-179.4	-62	-168.8	173	-171.4	-9.8	109.3	Y192 R196	Y192-R194 HydrophobicContact CD1-CG 4.18Å; Y192-R194 HydrophobicContact CE1-CG 4.21Å; Y192-R194 PolarHBondContact O-N 2.9Å; Y192-R194 PolarHBondContact OH-NH1 3.48Å; R194-R196 PolarHBondContact O-N 2.77Å; R194-R196 VanDerWaalsContact O-N 3.12Å
195	S	33.1	Very low	39.5	Very low	105 Å²	105	124 Å²	124	73%	0.734	68%	0.677	S	S	*	*			trans	-18.9	99.7	175	-46.4	0	0	0	0	113.2	S193	S193-S195 PolarHBondContact O-N 2.91Å; S193-S195 PolarHBondContact O-OG 2.85Å
196	R	40	Very low	37.6	Very low	206 Å²	206	131 Å²	131	78%	0.777	70%	0.703	S	S	*	*			trans	-100.3	80.8	170.7	-78.7	-176.4	176.1	-176.9	-0.7	109.4	N102 R194 G198	N102-R196 PolarHBondContact OD1-NH1 2.98Å; N102-R196 PolarHBondContact OD1-NH2 3.16Å; R194-R196 PolarHBondContact O-N 2.77Å; R194-R196 VanDerWaalsContact O-N 3.12Å; R196-G198 PolarHBondContact O-N 3.03Å
197	S	33.3	Very low	37	Very low	122 Å²	122	129.8 Å²	129.8	85%	0.853	71%	0.706	S	S	*	*			trans	-61.7	115.1	151.8	35	0	0	0	0	107.9
198	G	34.5	Very low	36.7	Very low	59 Å²	59	128.8 Å²	128.8	61%	0.608	70%	0.699	S	S	*	*			trans	167.9	71.7	-178.2	0	0	0	0	0	116.4	R196	R196-G198 PolarHBondContact O-N 3.03Å
199	S	34.2	Very low	36.9	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	72%	0.719	S	S	*	*			trans	67.4	124.2	133.1	-31.7	0	0	0	0	120.3
200	R	37.9	Very low	37.2	Very low	247 Å²	247	134.1 Å²	134.1	93%	0.932	71%	0.713	S	S	*	*			trans	116.6	126.9	136.6	-64.2	166.4	-177.3	-166.1	0.6	117.4
201	G	37.9	Very low	37.3	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	73%	0.73	S	S	*	*			trans	86.1	106.3	146.3	0	0	0	0	0	114.6
202	R	36.5	Very low	38	Very low	241 Å²	241	137.1 Å²	137.1	91%	0.909	74%	0.744	S	S	*	*				53.4	93	74.9	-158.8	-170.6	-125.1	-130.2	4.2	110.7
203	D	42.2	Very low	38	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	76%	0.758	S	S	*	*				-177.9	161.4	111.7	-123.8	-81.4	0	0	0	113.7
204	S	39.8	Very low	38.4	Very low	74 Å²	74	145.8 Å²	145.8	52%	0.517	77%	0.769	S	S	.	*			trans	-74.8	143.8	-156.2	-164	0	0	0	0	116.5
205	P	39	Very low	38.3	Very low	131 Å²	131	148.7 Å²	148.7	85%	0.851	79%	0.786	S	S	*	*			trans	-95.3	102.7	167.3	32.8	-23.5	0	0	0	110.9
206	Y	38.7	Very low	39.1	Very low	194 Å²	194	149.3 Å²	149.3	76%	0.761	79%	0.79	S	S	*	*			trans	-98.5	133.9	160.2	-85	-85.9	0	0	0	110
207	Q	44.4	Very low	39.2	Very low	181 Å²	181	144.6 Å²	144.6	85%	0.846	79%	0.786	S	S	*	*			trans	75.3	129	161	-62.1	174.5	51.7	0	0	114.9
208	S	37.6	Very low	39.3	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	78%	0.784	S	S	*	*			cis	-171	159	11.3	-154.5	0	0	0	0	108.1
209	R	38.8	Very low	39.7	Very low	246 Å²	246	154.5 Å²	154.5	93%	0.928	79%	0.792	S	S	*	*			trans	84.3	93.3	159.4	-60.3	176.5	175.1	-166.7	-2.9	118
210	G	38	Very low	40.7	Very low	71 Å²	71	153.4 Å²	153.4	73%	0.732	78%	0.782	S	S	*	*			trans	178.6	87.5	154.5	0	0	0	0	0	108.3	P212	G210-P212 VanDerWaalsContact O-CD 3.3Å; G210-P212 WeakPolarHBondContact O-CD 3.38Å
211	S	36.6	Very low	41.1	Very low	126 Å²	126	153.7 Å²	153.7	88%	0.881	79%	0.785	S	S	*	*			trans	-79.7	128.1	178.7	-55.1	0	0	0	0	110.6
212	P	47.2	Very low	41.3	Very low	112 Å²	112	157.9 Å²	157.9	73%	0.727	79%	0.788	S	S	*	*			trans	-116.7	138.9	148.1	-2.4	24.1	0	0	0	112	G210	G210-P212 VanDerWaalsContact O-CD 3.3Å; G210-P212 WeakPolarHBondContact O-CD 3.38Å
213	H	33.9	Very low	41.5	Very low	165 Å²	165	153.5 Å²	153.5	76%	0.764	78%	0.782	S	S	*	*			trans	-49.4	132.6	-180	-63.2	-96.8	0	0	0	115
214	Y	43.5	Very low	41.5	Very low	232 Å²	232	154 Å²	154	91%	0.91	78%	0.783	S	S	*	*			trans	-134.8	113.1	145.2	-86.5	-83	0	0	0	110.3
215	F	36.7	Very low	41.6	Very low	189 Å²	189	158.7 Å²	158.7	83%	0.829	80%	0.798	S	S	*	*			trans	-55.4	135.9	163.4	-105.3	-107.6	0	0	0	110
216	S	51	Low	41.8	Very low	118 Å²	118	160.4 Å²	160.4	83%	0.825	80%	0.795	S	S	*	*			trans	-165.3	132.3	136.7	-77.4	0	0	0	0	110.6
217	P	41.1	Very low	42	Very low	108 Å²	108	158.2 Å²	158.2	70%	0.701	80%	0.797	S	S	*	*			trans	-91.8	156.7	-169.7	35.9	-34.5	0	0	0	114.4
218	F	36	Very low	41.8	Very low	183 Å²	183	156.6 Å²	156.6	80%	0.803	79%	0.794	S	S	*	*			trans	56.6	126.9	149.4	-93.6	-96	0	0	0	120.2	P220	F218-P220 HydrophobicContact CD1-CG 4.11Å; F218-P220 HydrophobicContact CE1-CG 4.42Å
219	R	43	Very low	42.1	Very low	205 Å²	205	161 Å²	161	77%	0.774	80%	0.801	S	S	*	*				-151.1	122.9	128.4	-113.5	173.2	172	-93.4	-1.5	112.6	Y221	R219-Y221 WeakPolarHBondContact CB-O 3.35Å; R219-Y221 WeakPolarHBondContact CD-O 3.37Å; R219-Y221 VanDerWaalsContact CG-O 3.24Å; R219-Y221 WeakPolarHBondContact CG-O 3.5Å; R219-Y221 PolarHBondContact NH1-O 3.23Å; R219-Y221 PolarHBondContact NH1-OXT 3.12Å
220	P	55.4	Low	42.4	Very low	85 Å²	85	153.9 Å²	153.9	55%	0.552	79%	0.791	S	S	*	*			trans	-95.8	92.7	160.5	28.8	-9.5	0	0	0	106.4	F218	F218-P220 HydrophobicContact CD1-CG 4.11Å; F218-P220 HydrophobicContact CE1-CG 4.42Å
221	Y	46.4	Very low	42.8	Very low	253 Å²	253	161.5 Å²	161.5	99%	0.992	80%	0.796	S	S	*	*			trans	66.9	0	-170.2	-27.3	-63.8	0	0	0	113	R219	R219-Y221 WeakPolarHBondContact CB-O 3.35Å; R219-Y221 WeakPolarHBondContact CD-O 3.37Å; R219-Y221 VanDerWaalsContact CG-O 3.24Å; R219-Y221 WeakPolarHBondContact CG-O 3.5Å; R219-Y221 PolarHBondContact NH1-O 3.23Å; R219-Y221 PolarHBondContact NH1-OXT 3.12Å

Retrieved 221 of 221 residues in 167.1 ms (Link to these results)

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