A0A5K4FEH1_SCHMA Loading...

Sortilin-related receptor

AlphaFold DB , UniProt , Accession A0A5K4FEH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 272 aa.

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(Predicted Aligned Error values between residue pairs)

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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	26.3	Very low	26.2	Very low	240 Å²	240	131.2 Å²	131.2	100%	1.182	72%	0.716	S	S	*	*				0	83.1	0	-158.3	-174.7	-64	0	0	106.3
2	V	24.1	Very low	26.9	Very low	137 Å²	137	133.5 Å²	133.5	83%	0.83	73%	0.727	S	S	*	*			trans	-97	123	-179	178	0	0	0	0	106.4	L4	V2-L4 PolarHBondContact O-N 2.71Å
3	N	22.8	Very low	27.4	Very low	143 Å²	143	127.7 Å²	127.7	77%	0.765	72%	0.717	S	S	*	*			trans	-43.6	133.3	-179	-74.3	-36.4	0	0	0	111.7	I5	N3-I5 PolarHBondContact O-N 2.93Å
4	L	24.1	Very low	27.7	Very low	158 Å²	158	129.9 Å²	129.9	83%	0.827	72%	0.719	S	S	*	*			trans	-54.6	102.3	160.6	-95.5	86.9	0	0	0	107.3	V2 T6	V2-L4 PolarHBondContact O-N 2.71Å; L4-T6 PolarHBondContact O-N 3.18Å
5	I	25.7	Very low	28.5	Very low	123 Å²	123	127.9 Å²	127.9	63%	0.631	70%	0.702	S	S	*	*			trans	-74.5	86.4	168.9	-61	175.5	0	0	0	106.1	N3 S7	N3-I5 PolarHBondContact O-N 2.93Å; I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.42Å; I5-S7 VanDerWaalsContact O-N 3.12Å
6	T	25.9	Very low	29.2	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.724	68%	0.682	S	S	*	*			trans	-69.8	93.5	159.4	43.1	0	0	0	0	108.1	L4	L4-T6 PolarHBondContact O-N 3.18Å
7	S	25.9	Very low	30.2	Very low	64 Å²	64	118.8 Å²	118.8	45%	0.448	65%	0.649	S	S	.	*			trans	-145.5	70.9	151.8	177.7	0	0	0	0	107.8	I5 H9	I5-S7 VanDerWaalsContact C-N 3.33Å; I5-S7 PolarHBondContact O-N 3.42Å; I5-S7 VanDerWaalsContact O-N 3.12Å; S7-H9 PolarHBondContact O-N 3.44Å
8	L	27	Very low	31.2	Very low	144 Å²	144	113.3 Å²	113.3	75%	0.754	62%	0.622	S	S	*	*			trans	-63.5	81.2	161.9	-77.7	154.2	0	0	0	107.8	T10	L8-T10 WeakPolarHBondContact CB-OG1 3.22Å; L8-T10 HydrophobicContact CD2-CG2 4.45Å; L8-T10 WeakPolarHBondContact CD2-OG1 2.83Å; L8-T10 PolarHBondContact O-N 3.12Å
9	H	27.9	Very low	32.1	Very low	144 Å²	144	110 Å²	110	67%	0.667	60%	0.6	S	S	*	*			trans	-73.7	48.2	156.9	-108.5	-85.4	0	0	0	109.4	S7 E16	S7-H9 PolarHBondContact O-N 3.44Å; H9-E16 IonicContact ND1-OE2 3.95Å; H9-E16 PolarHBondContact ND1-OE2 3.15Å
10	T	27.6	Very low	33.2	Very low	57 Å²	57	104.6 Å²	104.6	35%	0.35	57%	0.57	S	S	.	*			trans	-115.4	106.1	172.3	46.2	0	0	0	0	106.4	L8 N12	L8-T10 WeakPolarHBondContact CB-OG1 3.22Å; L8-T10 HydrophobicContact CD2-CG2 4.45Å; L8-T10 WeakPolarHBondContact CD2-OG1 2.83Å; L8-T10 PolarHBondContact O-N 3.12Å; T10-N12 PolarHBondContact O-N 2.82Å
11	V	31.1	Very low	34.1	Very low	115 Å²	115	104.9 Å²	104.9	70%	0.697	57%	0.568	S	S	*	*	B	Isolated β-bridge	trans	-82	107.5	157.8	-178.5	0	0	0	0	105.6	G13	V11-G13 VanDerWaalsContact C-N 3.35Å; V11-G13 PolarHBondContact O-N 3.11Å
12	N	34.4	Very low	35.3	Very low	159 Å²	159	96.8 Å²	96.8	85%	0.85	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	37.2	176.7	-64.8	-13.6	0	0	0	116.4	T10 Q14	T10-N12 PolarHBondContact O-N 2.82Å; N12-Q14 VanDerWaalsContact C-N 3.27Å; N12-Q14 PolarHBondContact O-N 2.92Å
13	G	32.9	Very low	36.6	Very low	58 Å²	58	90.6 Å²	90.6	60%	0.598	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	13.3	170.6	0	0	0	0	0	115.6	V11	V11-G13 VanDerWaalsContact C-N 3.35Å; V11-G13 PolarHBondContact O-N 3.11Å
14	Q	32.5	Very low	38	Very low	159 Å²	159	86.6 Å²	86.6	74%	0.743	47%	0.472	S	S	*	.	B	Isolated β-bridge	trans	-110.6	138	174.2	-66.2	-171.3	-16.4	0	0	110.9	N12	N12-Q14 VanDerWaalsContact C-N 3.27Å; N12-Q14 PolarHBondContact O-N 2.92Å
15	H	38.9	Very low	39.3	Very low	99 Å²	99	84.9 Å²	84.9	46%	0.458	46%	0.462	S	S	.	.			trans	-66.7	146.8	-177	-58.2	-46.1	0	0	0	112.8	P17 I239	H15-P17 WeakPolarHBondContact O-CD 3.07Å; H15-I239 VanDerWaalsContact CE1-C 3.42Å; H15-I239 PolarHBondContact CE1-O 3.11Å; H15-I239 PolarHBondContact ND1-O 2.68Å; H15-I239 WeakPolarHBondContact NE2-CA 3.25Å; H15-I239 PolarHBondContact NE2-O 3.47Å
16	E	39.9	Very low	40.7	Very low	83 Å²	83	83 Å²	83	39%	0.388	47%	0.465	S	S	.	.			trans	-80.7	104.7	165	-90.4	-174.3	107.9	0	0	109.4	H9 Y19 R29	H9-E16 IonicContact ND1-OE2 3.95Å; H9-E16 PolarHBondContact ND1-OE2 3.15Å; E16-Y19 HydrophobicContact CB-CE2 4.14Å; E16-Y19 HydrophobicContact CG-CE2 4.04Å; E16-R29 VanDerWaalsContact CD-NH1 3.28Å; E16-R29 IonicContact OE1-CZ 3.75Å; E16-R29 IonicContact OE1-NE 3.03Å; E16-R29 IonicContact OE1-NH1 3.51Å; E16-R29 PolarHBondContact OE1-NH1 3.4Å; E16-R29 IonicContact OE1-NH2 2.68Å; E16-R29 PolarHBondContact OE1-NH2 2.82Å; E16-R29 IonicContact OE2-NH1 2.95Å
17	P	46.1	Very low	42.2	Very low	18 Å²	18	84.5 Å²	84.5	12%	0.117	47%	0.468	C	S	.	.			trans	-61.9	161.7	170.7	28.4	-39.5	0	0	0	112	H15 Y19 R35	H15-P17 WeakPolarHBondContact O-CD 3.07Å; P17-Y19 WeakPolarHBondContact CD-OH 3.34Å; P17-Y19 HydrophobicContact CG-CD1 3.95Å; P17-Y19 HydrophobicContact CG-CE1 3.45Å; P17-Y19 VanDerWaalsContact CG-CE1 3.45Å; P17-Y19 HydrophobicContact CG-CE2 4.13Å; P17-Y19 WeakPolarHBondContact O-CD2 3.4Å; P17-Y19 VanDerWaalsContact O-CE2 3.31Å; P17-Y19 WeakPolarHBondContact O-CE2 3.5Å; P17-Y19 PolarHBondContact O-N 2.9Å; P17-R35 HydrophobicContact CB-CB 4.13Å; P17-R35 HydrophobicContact CB-CG 4.49Å; P17-R35 HydrophobicContact CG-CB 4.25Å
18	A	48.3	Very low	43.8	Very low	20 Å²	20	84.9 Å²	84.9	17%	0.165	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	98.8	168.7	0	0	0	0	0	109	V36	A18-V36 HydrophobicContact CB-CB 4.49Å; A18-V36 PolarHBondContact O-N 3.37Å
19	Y	48.2	Very low	45.1	Very low	51 Å²	51	83.8 Å²	83.8	20%	0.2	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.7	-177	-61.4	-76.6	0	0	0	111.5	E16 P17 N32	E16-Y19 HydrophobicContact CB-CE2 4.14Å; E16-Y19 HydrophobicContact CG-CE2 4.04Å; P17-Y19 WeakPolarHBondContact CD-OH 3.34Å; P17-Y19 HydrophobicContact CG-CD1 3.95Å; P17-Y19 HydrophobicContact CG-CE1 3.45Å; P17-Y19 VanDerWaalsContact CG-CE1 3.45Å; P17-Y19 HydrophobicContact CG-CE2 4.13Å; P17-Y19 WeakPolarHBondContact O-CD2 3.4Å; P17-Y19 VanDerWaalsContact O-CE2 3.31Å; P17-Y19 WeakPolarHBondContact O-CE2 3.5Å; P17-Y19 PolarHBondContact O-N 2.9Å; Y19-N32 HydrophobicContact CD1-CB 4.37Å; Y19-N32 WeakPolarHBondContact CD1-ND2 3.33Å
20	L	54.7	Low	46.6	Very low	2 Å²	2	82.6 Å²	82.6	1%	0.01	45%	0.45	C	S	.	.			trans	-65.6	134.8	164.9	-56.5	178.7	0	0	0	108.9	T22 N23 F34 V36 F46 I114 Y116	L20-T22 VanDerWaalsContact C-N 3.31Å; L20-T22 PolarHBondContact O-N 2.87Å; L20-N23 HydrophobicContact CB-CB 4.24Å; L20-N23 PolarHBondContact O-N 3.46Å; L20-F34 HydrophobicContact CD1-CB 3.72Å; L20-F34 WeakPolarHBondContact CD1-O 3.43Å; L20-F34 WeakPolarHBondContact CG-O 3.26Å; L20-V36 HydrophobicContact CD2-CG2 3.79Å; L20-F46 HydrophobicContact CD1-CD1 4.48Å; L20-F46 HydrophobicContact CD1-CE1 3.96Å; L20-F46 HydrophobicContact CD2-CE1 4.23Å; L20-I114 HydrophobicContact CB-CG2 3.95Å; L20-I114 HydrophobicContact CD1-CD1 4.11Å; L20-I114 HydrophobicContact CD1-CG1 4.41Å; L20-I114 HydrophobicContact CD1-CG2 3.39Å; L20-I114 HydrophobicContact CD2-CG2 4.36Å; L20-I114 HydrophobicContact CG-CG2 4.08Å; L20-Y116 HydrophobicContact CD2-CD2 3.2Å; L20-Y116 HydrophobicContact CD2-CE2 3.92Å; L20-Y116 HydrophobicContact CD2-CG 3.72Å
21	E	52.3	Low	48	Very low	110 Å²	110	81.5 Å²	81.5	51%	0.514	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.9	-160.3	178.8	174	-171	0	0	113.5	T115	E21-T115 WeakPolarHBondContact CB-OG1 3.43Å; E21-T115 PolarHBondContact N-O 2.92Å
22	T	51.9	Low	49.3	Very low	70 Å²	70	76.6 Å²	76.6	43%	0.429	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	9.2	-178.3	55	0	0	0	0	115.6	L20 M24 D113 T115	L20-T22 VanDerWaalsContact C-N 3.31Å; L20-T22 PolarHBondContact O-N 2.87Å; T22-M24 PolarHBondContact O-N 2.81Å; T22-D113 PolarHBondContact OG1-O 3.39Å; T22-T115 WeakPolarHBondContact CB-OG1 3.42Å; T22-T115 HydrophobicContact CG2-CG2 3.98Å; T22-T115 WeakPolarHBondContact CG2-OG1 3.45Å; T22-T115 PolarHBondContact N-OG1 2.86Å; T22-T115 VanDerWaalsContact N-OG1 3.12Å; T22-T115 PolarHBondContact OG1-N 2.73Å; T22-T115 PolarHBondContact OG1-OG1 2.99Å
23	N	50.6	Low	50.6	Low	8 Å²	8	69.6 Å²	69.6	4%	0.043	38%	0.376	C	S	.	.			trans	-84.6	12.7	-177.9	-159.1	2.2	0	0	0	114.1	L20 N32 T33 F34	L20-N23 HydrophobicContact CB-CB 4.24Å; L20-N23 PolarHBondContact O-N 3.46Å; N23-N32 WeakPolarHBondContact CB-OD1 3.4Å; N23-N32 PolarHBondContact ND2-OD1 3.07Å; N23-N32 VanDerWaalsContact O-CA 3.3Å; N23-N32 WeakPolarHBondContact O-CA 3.31Å; N23-T33 VanDerWaalsContact CG-OG1 3.31Å; N23-T33 PolarHBondContact ND2-N 3.38Å; N23-T33 PolarHBondContact ND2-OG1 2.94Å; N23-T33 PolarHBondContact OD1-OG1 2.75Å; N23-F34 WeakPolarHBondContact ND2-CA 3.12Å; N23-F34 VanDerWaalsContact ND2-CB 3.26Å; N23-F34 WeakPolarHBondContact ND2-CB 3.41Å; N23-F34 PolarHBondContact ND2-N 2.81Å; N23-F34 PolarHBondContact ND2-O 2.79Å
24	M	51.9	Low	52.1	Low	59 Å²	59	66.9 Å²	66.9	29%	0.291	35%	0.348	S	S	.	.	S	Bend	trans	-95.7	129.5	172.9	-62.5	-177.3	-62.4	0	0	108.9	T22 A26 R29	T22-M24 PolarHBondContact O-N 2.81Å; M24-A26 WeakPolarHBondContact CB-O 3.46Å; M24-A26 PolarHBondContact O-N 2.95Å; M24-A26 VanDerWaalsContact O-N 3.14Å; M24-R29 HydrophobicContact SD-CG 3.91Å
25	I	51.1	Low	53.5	Low	121 Å²	121	63 Å²	63	62%	0.621	33%	0.326	S	S	*	.	S	Bend	trans	-71.3	105.2	161.2	-56.6	176	0	0	0	105.7	D28 T31	I25-D28 PolarHBondContact O-N 3.11Å; I25-T31 HydrophobicContact CB-CG2 4.06Å; I25-T31 HydrophobicContact CD1-CG2 4.4Å; I25-T31 HydrophobicContact CG1-CG2 4.46Å; I25-T31 PolarHBondContact N-OG1 2.76Å
26	A	55.3	Low	54.5	Low	84 Å²	84	58.5 Å²	58.5	69%	0.694	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-131	-168.8	0	0	0	0	0	112.3	M24	M24-A26 WeakPolarHBondContact CB-O 3.46Å; M24-A26 PolarHBondContact O-N 2.95Å; M24-A26 VanDerWaalsContact O-N 3.14Å
27	N	57.8	Low	55.3	Low	149 Å²	149	57 Å²	57	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	11.1	-179.9	-69.4	-18.7	0	0	0	113.1	R29	N27-R29 PolarHBondContact O-N 3.15Å
28	D	59	Low	55.7	Low	72 Å²	72	57.4 Å²	57.4	39%	0.385	30%	0.3	S	S	.	.			trans	-83.3	101.9	-179.4	-175.4	2.8	0	0	0	111.1	I25 N30 T31	I25-D28 PolarHBondContact O-N 3.11Å; D28-N30 PolarHBondContact O-N 2.68Å; D28-N30 VanDerWaalsContact O-N 3.11Å; D28-N30 VanDerWaalsContact OD1-CB 3.25Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 2.99Å; D28-N30 PolarHBondContact OD1-ND2 3.19Å; D28-T31 HydrophobicContact CB-CG2 3.8Å; D28-T31 WeakPolarHBondContact O-CB 3.09Å; D28-T31 PolarHBondContact O-N 2.83Å; D28-T31 PolarHBondContact O-OG1 2.88Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.47Å
29	R	54.5	Low	56	Low	121 Å²	121	56.5 Å²	56.5	46%	0.457	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.7	-23.2	177.4	-65.2	174.7	177.9	-167.5	-15.2	113.5	E16 M24 N27 T31 N32	E16-R29 VanDerWaalsContact CD-NH1 3.28Å; E16-R29 IonicContact OE1-CZ 3.75Å; E16-R29 IonicContact OE1-NE 3.03Å; E16-R29 IonicContact OE1-NH1 3.51Å; E16-R29 PolarHBondContact OE1-NH1 3.4Å; E16-R29 IonicContact OE1-NH2 2.68Å; E16-R29 PolarHBondContact OE1-NH2 2.82Å; E16-R29 IonicContact OE2-NH1 2.95Å; M24-R29 HydrophobicContact SD-CG 3.91Å; N27-R29 PolarHBondContact O-N 3.15Å; R29-T31 PolarHBondContact O-N 2.86Å; R29-N32 PolarHBondContact O-N 2.91Å
30	N	58.7	Low	56.1	Low	119 Å²	119	54.3 Å²	54.3	64%	0.636	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-73.8	-14.3	177.6	-58.4	-57.1	0	0	0	112.7	D28 N32 K49	D28-N30 PolarHBondContact O-N 2.68Å; D28-N30 VanDerWaalsContact O-N 3.11Å; D28-N30 VanDerWaalsContact OD1-CB 3.25Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 2.99Å; D28-N30 PolarHBondContact OD1-ND2 3.19Å; N30-N32 VanDerWaalsContact C-N 3.31Å; N30-K49 PolarHBondContact O-NZ 2.84Å
31	T	57.8	Low	56.1	Low	35 Å²	35	55 Å²	55	22%	0.215	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-85.5	-7	177.8	65.4	0	0	0	0	112.9	I25 D28 R29 T33	I25-T31 HydrophobicContact CB-CG2 4.06Å; I25-T31 HydrophobicContact CD1-CG2 4.4Å; I25-T31 HydrophobicContact CG1-CG2 4.46Å; I25-T31 PolarHBondContact N-OG1 2.76Å; D28-T31 HydrophobicContact CB-CG2 3.8Å; D28-T31 WeakPolarHBondContact O-CB 3.09Å; D28-T31 PolarHBondContact O-N 2.83Å; D28-T31 PolarHBondContact O-OG1 2.88Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.47Å; R29-T31 PolarHBondContact O-N 2.86Å; T31-T33 PolarHBondContact O-N 2.83Å; T31-T33 VanDerWaalsContact O-N 3.09Å
32	N	59.4	Low	56.2	Low	12 Å²	12	51.9 Å²	51.9	6%	0.064	28%	0.282	C	S	.	.			trans	-62.5	116.7	-178.5	-162.5	-37.1	0	0	0	111	Y19 N23 R29 N30 F34	Y19-N32 HydrophobicContact CD1-CB 4.37Å; Y19-N32 WeakPolarHBondContact CD1-ND2 3.33Å; N23-N32 WeakPolarHBondContact CB-OD1 3.4Å; N23-N32 PolarHBondContact ND2-OD1 3.07Å; N23-N32 VanDerWaalsContact O-CA 3.3Å; N23-N32 WeakPolarHBondContact O-CA 3.31Å; R29-N32 PolarHBondContact O-N 2.91Å; N30-N32 VanDerWaalsContact C-N 3.31Å; N32-F34 PolarHBondContact OD1-N 2.72Å; N32-F34 PolarHBondContact OD1-O 3.4Å
33	T	61.7	Low	56.5	Low	12 Å²	12	52.6 Å²	52.6	7%	0.074	28%	0.279	C	S	.	.			trans	-89.1	-17.6	-177.7	58.6	0	0	0	0	113.4	N23 T31 W48 K49 Y112	N23-T33 VanDerWaalsContact CG-OG1 3.31Å; N23-T33 PolarHBondContact ND2-N 3.38Å; N23-T33 PolarHBondContact ND2-OG1 2.94Å; N23-T33 PolarHBondContact OD1-OG1 2.75Å; T31-T33 PolarHBondContact O-N 2.83Å; T31-T33 VanDerWaalsContact O-N 3.09Å; T33-W48 CarbonylContact O-C 3.58Å; T33-W48 WeakPolarHBondContact O-CA 3.33Å; T33-W48 WeakPolarHBondContact O-CB 3.13Å; T33-K49 PolarHBondContact O-N 2.04Å; T33-Y112 HydrophobicContact CG2-CD1 4.27Å; T33-Y112 HydrophobicContact CG2-CE1 3.82Å; T33-Y112 HydrophobicContact CG2-CE2 4.32Å
34	F	63.9	Low	56.9	Low	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	117	-174.8	-89	-91.5	0	0	0	109.5	L20 N23 N32 F46 E47 W48 M51 V59 A97 I114	L20-F34 HydrophobicContact CD1-CB 3.72Å; L20-F34 WeakPolarHBondContact CD1-O 3.43Å; L20-F34 WeakPolarHBondContact CG-O 3.26Å; N23-F34 WeakPolarHBondContact ND2-CA 3.12Å; N23-F34 VanDerWaalsContact ND2-CB 3.26Å; N23-F34 WeakPolarHBondContact ND2-CB 3.41Å; N23-F34 PolarHBondContact ND2-N 2.81Å; N23-F34 PolarHBondContact ND2-O 2.79Å; N32-F34 PolarHBondContact OD1-N 2.72Å; N32-F34 PolarHBondContact OD1-O 3.4Å; F34-F46 HydrophobicContact CD1-CD1 4.4Å; F34-E47 CarbonylContact C-O 3.54Å; F34-E47 WeakPolarHBondContact CA-O 3.02Å; F34-W48 HydrophobicContact CD1-CB 3.68Å; F34-W48 HydrophobicContact CD1-CG 4.44Å; F34-W48 HydrophobicContact CD2-CB 3.99Å; F34-W48 HydrophobicContact CD2-CE3 4.47Å; F34-W48 HydrophobicContact CE1-CB 3.59Å; F34-W48 HydrophobicContact CE1-CD2 4.32Å; F34-W48 AromaticContact CE1-CG 3.87Å; F34-W48 HydrophobicContact CE1-CG 3.87Å; F34-W48 HydrophobicContact CE2-CB 3.9Å; F34-W48 HydrophobicContact CE2-CD2 4.03Å; F34-W48 AromaticContact CE2-CE3 3.54Å; F34-W48 HydrophobicContact CE2-CE3 3.54Å; F34-W48 HydrophobicContact CE2-CG 4.2Å; F34-W48 HydrophobicContact CE2-CZ3 4.4Å; F34-W48 HydrophobicContact CG-CB 3.85Å; F34-W48 HydrophobicContact CZ-CB 3.66Å; F34-W48 AromaticContact CZ-CD2 3.66Å; F34-W48 HydrophobicContact CZ-CD2 3.66Å; F34-W48 AromaticContact CZ-CE3 3.61Å; F34-W48 HydrophobicContact CZ-CE3 3.61Å; F34-W48 AromaticContact CZ-CG 3.69Å; F34-W48 HydrophobicContact CZ-CG 3.69Å; F34-W48 HydrophobicContact CZ-CZ3 4.49Å; F34-M51 HydrophobicContact CE2-CE 3.87Å; F34-V59 HydrophobicContact CE1-CG1 4.23Å; F34-V59 HydrophobicContact CE2-CG1 3.9Å; F34-V59 HydrophobicContact CE2-CG2 4.34Å; F34-V59 HydrophobicContact CZ-CB 3.78Å; F34-V59 HydrophobicContact CZ-CG1 3.37Å; F34-V59 HydrophobicContact CZ-CG2 3.87Å; F34-A97 HydrophobicContact CD2-CB 3.75Å; F34-A97 HydrophobicContact CE2-CB 3.57Å; F34-A97 HydrophobicContact CG-CB 4.49Å; F34-A97 HydrophobicContact CZ-CB 4.18Å; F34-I114 HydrophobicContact CB-CD1 3.88Å; F34-I114 HydrophobicContact CD2-CD1 4.15Å; F34-I114 HydrophobicContact CG-CD1 4.02Å
35	R	61.6	Low	57.2	Low	78 Å²	78	49.5 Å²	49.5	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.7	179.3	49.5	171	170.9	-179.9	-5.8	110.1	P17 I37 F46 E47	P17-R35 HydrophobicContact CB-CB 4.13Å; P17-R35 HydrophobicContact CB-CG 4.49Å; P17-R35 HydrophobicContact CG-CB 4.25Å; R35-I37 HydrophobicContact CG-CG2 4.38Å; R35-I37 PolarHBondContact O-N 2.79Å; R35-F46 CarbonylContact O-C 3.52Å; R35-F46 VanDerWaalsContact O-CA 3.26Å; R35-F46 WeakPolarHBondContact O-CA 3.32Å; R35-F46 WeakPolarHBondContact O-CD1 3.44Å; R35-E47 HydrophobicContact CG-CB 3.79Å; R35-E47 WeakPolarHBondContact CG-O 3.16Å; R35-E47 IonicContact CZ-OE1 3.11Å; R35-E47 IonicContact CZ-OE2 3.48Å; R35-E47 PolarHBondContact N-O 3.22Å; R35-E47 IonicContact NE-OE1 3.97Å; R35-E47 IonicContact NE-OE2 3.95Å; R35-E47 PolarHBondContact NE-OE2 3.03Å; R35-E47 IonicContact NH1-OE2 3.64Å; R35-E47 IonicContact NH2-OE1 3.76Å; R35-E47 PolarHBondContact NH2-OE1 3.24Å; R35-E47 IonicContact NH2-OE2 2.67Å; R35-E47 PolarHBondContact NH2-OE2 2.67Å; R35-E47 PolarHBondContact O-N 2.84Å
36	V	60.2	Low	57.7	Low	4 Å²	4	43.9 Å²	43.9	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.5	168.4	-179.3	0	0	0	0	106.5	A18 L20 E39 F46 Y116	A18-V36 HydrophobicContact CB-CB 4.49Å; A18-V36 PolarHBondContact O-N 3.37Å; L20-V36 HydrophobicContact CD2-CG2 3.79Å; V36-E39 HydrophobicContact CG1-CG 4.32Å; V36-F46 HydrophobicContact CB-CD1 4.39Å; V36-F46 HydrophobicContact CB-CE1 4.16Å; V36-F46 HydrophobicContact CG2-CD1 3.82Å; V36-F46 HydrophobicContact CG2-CE1 3.14Å; V36-F46 HydrophobicContact CG2-CE2 4.4Å; V36-F46 HydrophobicContact CG2-CZ 3.49Å; V36-F46 VanDerWaalsContact CG2-CZ 3.49Å; V36-Y116 HydrophobicContact CG2-CD2 4.37Å; V36-Y116 HydrophobicContact CG2-CE2 3.8Å
37	I	57.2	Low	57.9	Low	51 Å²	51	42.3 Å²	42.3	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-30.9	174.9	58.1	168.4	0	0	0	111.3	R35 A45 E47 M80	R35-I37 HydrophobicContact CG-CG2 4.38Å; R35-I37 PolarHBondContact O-N 2.79Å; I37-A45 HydrophobicContact CD1-CB 3.97Å; I37-A45 HydrophobicContact CG1-CB 3.67Å; I37-A45 WeakPolarHBondContact CG1-O 3.45Å; I37-A45 PolarHBondContact N-O 3.32Å; I37-E47 HydrophobicContact CG2-CB 3.62Å; I37-M80 HydrophobicContact CD1-SD 4.1Å
38	Q	54.8	Low	58.3	Low	26 Å²	26	35.5 Å²	35.5	12%	0.121	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	129.2	-179.5	-175.3	-180	18.7	0	0	110.3	M44 A45 L202	Q38-M44 CarbonylContact O-C 3.59Å; Q38-A45 HydrophobicContact CB-CB 4.13Å; Q38-A45 PolarHBondContact N-O 3.09Å; Q38-A45 PolarHBondContact O-N 3.41Å; Q38-L202 HydrophobicContact CG-CD1 4.16Å
39	E	53.1	Low	58.7	Low	2 Å²	2	37.6 Å²	37.6	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.1	164.2	-64.6	-160.1	170.3	0	0	109.7	V36 M44 Y116 F200 S201 L202	V36-E39 HydrophobicContact CG1-CG 4.32Å; E39-M44 HydrophobicContact CG-CG 4.16Å; E39-M44 HydrophobicContact CG-SD 4.5Å; E39-Y116 PolarHBondContact OE1-OH 3.47Å; E39-F200 WeakPolarHBondContact CG-O 3.45Å; E39-S201 WeakPolarHBondContact OE2-CA 2.9Å; E39-S201 WeakPolarHBondContact OE2-CB 3.15Å; E39-L202 WeakPolarHBondContact O-CB 3.22Å; E39-L202 WeakPolarHBondContact O-CD1 3.47Å; E39-L202 WeakPolarHBondContact O-CG 3.15Å
40	Q	51.8	Low	59.2	Low	4 Å²	4	34.9 Å²	34.9	2%	0.019	18%	0.18	C	C	.	.			trans	-121.7	-179.5	174.3	-57.8	-170.9	10.2	0	0	110.9	A42 F43 R121 T224	Q40-A42 PolarHBondContact O-N 2.96Å; Q40-F43 CarbonylContact C-O 3.55Å; Q40-F43 WeakPolarHBondContact CA-O 2.96Å; Q40-F43 HydrophobicContact CB-CB 4.45Å; Q40-F43 VanDerWaalsContact CB-O 3.26Å; Q40-F43 WeakPolarHBondContact CB-O 3.13Å; Q40-F43 PolarHBondContact N-O 2.74Å; Q40-R121 PolarHBondContact O-NH2 2.91Å; Q40-T224 HydrophobicContact CB-CG2 4.45Å; Q40-T224 PolarHBondContact OE1-OG1 2.81Å
41	T	53.2	Low	59.9	Low	18 Å²	18	29.5 Å²	29.5	11%	0.11	15%	0.151	C	C	.	.	S	Bend	trans	-51.4	-54.5	-176.4	-47.8	0	0	0	0	114.7	R121 T204 M205 T224	T41-R121 PolarHBondContact O-NH1 2.77Å; T41-T204 WeakPolarHBondContact O-CG2 3.46Å; T41-M205 HydrophobicContact CG2-CB 3.56Å; T41-M205 HydrophobicContact CG2-CE 3.83Å; T41-M205 HydrophobicContact CG2-CG 3.8Å; T41-M205 WeakPolarHBondContact OG1-CE 3.18Å; T41-T224 WeakPolarHBondContact OG1-CG2 3.21Å
42	A	55.9	Low	60.6	Low	44 Å²	44	32.5 Å²	32.5	36%	0.364	18%	0.179	S	C	.	.	S	Bend	trans	-118.6	-10.5	177.3	0	0	0	0	0	111.7	Q40 A85	Q40-A42 PolarHBondContact O-N 2.96Å; A42-A85 PolarHBondContact O-N 3.16Å
43	F	58.1	Low	61.3	Low	85 Å²	85	35.1 Å²	35.1	37%	0.373	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	166.2	-171.9	-55.4	-78.8	0	0	0	110.1	Q40 L82 L83 E84 R121	Q40-F43 CarbonylContact C-O 3.55Å; Q40-F43 WeakPolarHBondContact CA-O 2.96Å; Q40-F43 HydrophobicContact CB-CB 4.45Å; Q40-F43 VanDerWaalsContact CB-O 3.26Å; Q40-F43 WeakPolarHBondContact CB-O 3.13Å; Q40-F43 PolarHBondContact N-O 2.74Å; F43-L82 HydrophobicContact CB-CB 4.1Å; F43-L82 HydrophobicContact CB-CD2 3.93Å; F43-L82 HydrophobicContact CB-CG 4.48Å; F43-L82 HydrophobicContact CD1-CB 4.24Å; F43-L82 HydrophobicContact CG-CB 4.21Å; F43-L83 CarbonylContact C-O 3.54Å; F43-L83 VanDerWaalsContact C-O 3.31Å; F43-L83 WeakPolarHBondContact CA-O 3.42Å; F43-E84 HydrophobicContact CD1-CB 4.36Å; F43-E84 HydrophobicContact CE1-CB 4.43Å; F43-R121 PolarHBondContact O-NH2 3.42Å
44	M	58.6	Low	62.2	Low	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128	163.8	-72.8	-175.2	-77	0	0	105.1	Q38 E39 F46 L83 A85 Y116	Q38-M44 CarbonylContact O-C 3.59Å; E39-M44 HydrophobicContact CG-CG 4.16Å; E39-M44 HydrophobicContact CG-SD 4.5Å; M44-F46 HydrophobicContact CB-CD2 3.82Å; M44-F46 HydrophobicContact CB-CE2 3.26Å; M44-F46 HydrophobicContact CB-CZ 4.04Å; M44-F46 HydrophobicContact CE-CE2 3.81Å; M44-F46 HydrophobicContact CE-CZ 3.79Å; M44-F46 HydrophobicContact CG-CE2 4.21Å; M44-F46 WeakPolarHBondContact O-CD2 3.14Å; M44-F46 HydrophobicContact SD-CE2 4Å; M44-F46 HydrophobicContact SD-CZ 3.88Å; M44-L83 HydrophobicContact CE-CD2 3.82Å; M44-L83 PolarHBondContact N-O 3.17Å; M44-L83 PolarHBondContact O-N 2.81Å; M44-A85 HydrophobicContact CE-CB 4.24Å; M44-A85 HydrophobicContact CG-CB 4.26Å; M44-Y116 HydrophobicContact CE-CE1 4.4Å; M44-Y116 HydrophobicContact SD-CD1 4.36Å; M44-Y116 HydrophobicContact SD-CE1 3.64Å
45	A	56.9	Low	62.9	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.7	167.9	0	0	0	0	0	108.2	I37 Q38 G81 L82 M226	I37-A45 HydrophobicContact CD1-CB 3.97Å; I37-A45 HydrophobicContact CG1-CB 3.67Å; I37-A45 WeakPolarHBondContact CG1-O 3.45Å; I37-A45 PolarHBondContact N-O 3.32Å; Q38-A45 HydrophobicContact CB-CB 4.13Å; Q38-A45 PolarHBondContact N-O 3.09Å; Q38-A45 PolarHBondContact O-N 3.41Å; A45-G81 WeakPolarHBondContact CA-O 3.41Å; A45-L82 HydrophobicContact CB-CD2 4.35Å; A45-M226 HydrophobicContact CB-CE 4.02Å
46	F	61.3	Low	63.6	Low	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.9	175.9	-74.9	-96.2	0	0	0	110	L20 F34 R35 V36 M44 M80 G81 L83	L20-F46 HydrophobicContact CD1-CD1 4.48Å; L20-F46 HydrophobicContact CD1-CE1 3.96Å; L20-F46 HydrophobicContact CD2-CE1 4.23Å; F34-F46 HydrophobicContact CD1-CD1 4.4Å; R35-F46 CarbonylContact O-C 3.52Å; R35-F46 VanDerWaalsContact O-CA 3.26Å; R35-F46 WeakPolarHBondContact O-CA 3.32Å; R35-F46 WeakPolarHBondContact O-CD1 3.44Å; V36-F46 HydrophobicContact CB-CD1 4.39Å; V36-F46 HydrophobicContact CB-CE1 4.16Å; V36-F46 HydrophobicContact CG2-CD1 3.82Å; V36-F46 HydrophobicContact CG2-CE1 3.14Å; V36-F46 HydrophobicContact CG2-CE2 4.4Å; V36-F46 HydrophobicContact CG2-CZ 3.49Å; V36-F46 VanDerWaalsContact CG2-CZ 3.49Å; M44-F46 HydrophobicContact CB-CD2 3.82Å; M44-F46 HydrophobicContact CB-CE2 3.26Å; M44-F46 HydrophobicContact CB-CZ 4.04Å; M44-F46 HydrophobicContact CE-CE2 3.81Å; M44-F46 HydrophobicContact CE-CZ 3.79Å; M44-F46 HydrophobicContact CG-CE2 4.21Å; M44-F46 WeakPolarHBondContact O-CD2 3.14Å; M44-F46 HydrophobicContact SD-CE2 4Å; M44-F46 HydrophobicContact SD-CZ 3.88Å; F46-M80 CarbonylContact O-C 3.5Å; F46-M80 WeakPolarHBondContact O-CA 3.3Å; F46-G81 PolarHBondContact N-O 3.23Å; F46-G81 PolarHBondContact O-N 3.29Å; F46-L83 HydrophobicContact CD2-CB 3.46Å; F46-L83 VanDerWaalsContact CD2-CB 3.46Å; F46-L83 HydrophobicContact CD2-CD1 4.38Å; F46-L83 HydrophobicContact CD2-CD2 4.34Å; F46-L83 HydrophobicContact CD2-CG 4.23Å; F46-L83 HydrophobicContact CE2-CB 3.52Å; F46-L83 HydrophobicContact CE2-CD1 4.3Å; F46-L83 HydrophobicContact CE2-CD2 3.56Å; F46-L83 HydrophobicContact CE2-CG 3.94Å; F46-L83 HydrophobicContact CZ-CD2 4.18Å
47	E	60.3	Low	64.4	Low	51 Å²	51	46.4 Å²	46.4	24%	0.238	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.8	160.1	-175.8	-178.4	166.3	0	0	108.9	F34 R35 I37 N79 M80	F34-E47 CarbonylContact C-O 3.54Å; F34-E47 WeakPolarHBondContact CA-O 3.02Å; R35-E47 HydrophobicContact CG-CB 3.79Å; R35-E47 WeakPolarHBondContact CG-O 3.16Å; R35-E47 IonicContact CZ-OE1 3.11Å; R35-E47 IonicContact CZ-OE2 3.48Å; R35-E47 PolarHBondContact N-O 3.22Å; R35-E47 IonicContact NE-OE1 3.97Å; R35-E47 IonicContact NE-OE2 3.95Å; R35-E47 PolarHBondContact NE-OE2 3.03Å; R35-E47 IonicContact NH1-OE2 3.64Å; R35-E47 IonicContact NH2-OE1 3.76Å; R35-E47 PolarHBondContact NH2-OE1 3.24Å; R35-E47 IonicContact NH2-OE2 2.67Å; R35-E47 PolarHBondContact NH2-OE2 2.67Å; R35-E47 PolarHBondContact O-N 2.84Å; I37-E47 HydrophobicContact CG2-CB 3.62Å; E47-N79 CarbonylContact C-O 3.47Å; E47-N79 WeakPolarHBondContact CA-O 3.17Å; E47-N79 WeakPolarHBondContact CG-O 3.1Å; E47-M80 HydrophobicContact CB-CG 3.75Å; E47-M80 HydrophobicContact CG-CG 3.64Å; E47-M80 HydrophobicContact CG-SD 4.46Å
48	W	66.5	Low	65.3	Low	6 Å²	6	44.5 Å²	44.5	2%	0.023	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.1	-176.2	81.1	-73.1	0	0	0	110.5	T33 F34 P50 M51 F56 V59 G78 N79	T33-W48 CarbonylContact O-C 3.58Å; T33-W48 WeakPolarHBondContact O-CA 3.33Å; T33-W48 WeakPolarHBondContact O-CB 3.13Å; F34-W48 HydrophobicContact CD1-CB 3.68Å; F34-W48 HydrophobicContact CD1-CG 4.44Å; F34-W48 HydrophobicContact CD2-CB 3.99Å; F34-W48 HydrophobicContact CD2-CE3 4.47Å; F34-W48 HydrophobicContact CE1-CB 3.59Å; F34-W48 HydrophobicContact CE1-CD2 4.32Å; F34-W48 AromaticContact CE1-CG 3.87Å; F34-W48 HydrophobicContact CE1-CG 3.87Å; F34-W48 HydrophobicContact CE2-CB 3.9Å; F34-W48 HydrophobicContact CE2-CD2 4.03Å; F34-W48 AromaticContact CE2-CE3 3.54Å; F34-W48 HydrophobicContact CE2-CE3 3.54Å; F34-W48 HydrophobicContact CE2-CG 4.2Å; F34-W48 HydrophobicContact CE2-CZ3 4.4Å; F34-W48 HydrophobicContact CG-CB 3.85Å; F34-W48 HydrophobicContact CZ-CB 3.66Å; F34-W48 AromaticContact CZ-CD2 3.66Å; F34-W48 HydrophobicContact CZ-CD2 3.66Å; F34-W48 AromaticContact CZ-CE3 3.61Å; F34-W48 HydrophobicContact CZ-CE3 3.61Å; F34-W48 AromaticContact CZ-CG 3.69Å; F34-W48 HydrophobicContact CZ-CG 3.69Å; F34-W48 HydrophobicContact CZ-CZ3 4.49Å; W48-P50 VanDerWaalsContact CH2-CA 3.42Å; W48-P50 HydrophobicContact CH2-CB 4.18Å; W48-P50 HydrophobicContact CZ2-CB 4.42Å; W48-P50 VanDerWaalsContact CZ3-CA 3.48Å; W48-M51 HydrophobicContact CZ3-CB 4.03Å; W48-M51 HydrophobicContact CZ3-CE 4.27Å; W48-M51 HydrophobicContact CZ3-CG 3.8Å; W48-F56 HydrophobicContact CH2-CD1 4.18Å; W48-F56 AromaticContact CH2-CD2 3.99Å; W48-F56 HydrophobicContact CH2-CD2 3.99Å; W48-F56 AromaticContact CH2-CE1 3.5Å; W48-F56 HydrophobicContact CH2-CE1 3.5Å; W48-F56 AromaticContact CH2-CE2 3.26Å; W48-F56 HydrophobicContact CH2-CE2 3.26Å; W48-F56 HydrophobicContact CH2-CG 4.42Å; W48-F56 AromaticContact CH2-CZ 3.01Å; W48-F56 HydrophobicContact CH2-CZ 3.01Å; W48-F56 HydrophobicContact CZ2-CD1 4.4Å; W48-F56 AromaticContact CZ2-CE1 3.39Å; W48-F56 HydrophobicContact CZ2-CE1 3.39Å; W48-F56 AromaticContact CZ2-CE2 3.83Å; W48-F56 HydrophobicContact CZ2-CE2 3.83Å; W48-F56 AromaticContact CZ2-CZ 3.06Å; W48-F56 HydrophobicContact CZ2-CZ 3.06Å; W48-F56 HydrophobicContact CZ3-CE2 4.22Å; W48-F56 HydrophobicContact CZ3-CZ 4.26Å; W48-V59 HydrophobicContact CD2-CG2 4.29Å; W48-V59 HydrophobicContact CE3-CG2 3.87Å; W48-V59 HydrophobicContact CH2-CG2 3.5Å; W48-V59 VanDerWaalsContact CH2-CG2 3.5Å; W48-V59 HydrophobicContact CZ2-CG2 3.96Å; W48-V59 HydrophobicContact CZ3-CG2 3.4Å; W48-V59 VanDerWaalsContact CZ3-CG2 3.4Å; W48-G78 VanDerWaalsContact CZ2-O 3.32Å; W48-G78 WeakPolarHBondContact CZ2-O 3.42Å; W48-G78 PolarHBondContact NE1-O 2.73Å; W48-N79 VanDerWaalsContact CD1-C 3.49Å; W48-N79 PolarHBondContact N-O 3.45Å; W48-N79 WeakPolarHBondContact O-CA 2.99Å; W48-N79 WeakPolarHBondContact O-CB 3.35Å
49	K	67.2	Low	66.4	Low	117 Å²	117	43.3 Å²	43.3	51%	0.509	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-86.2	123.1	172.4	-75.2	-174	176.4	-177.5	0	107.9	N30 T33 M51	N30-K49 PolarHBondContact O-NZ 2.84Å; T33-K49 PolarHBondContact O-N 2.04Å; K49-M51 PolarHBondContact O-N 2.74Å
50	P	65.3	Low	67.6	Low	64 Å²	64	45.4 Å²	45.4	42%	0.416	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-49.3	128	178.6	-30.4	35.7	0	0	0	112.2	W48 A52 N79	W48-P50 VanDerWaalsContact CH2-CA 3.42Å; W48-P50 HydrophobicContact CH2-CB 4.18Å; W48-P50 HydrophobicContact CZ2-CB 4.42Å; W48-P50 VanDerWaalsContact CZ3-CA 3.48Å; P50-A52 PolarHBondContact O-N 2.85Å; P50-N79 WeakPolarHBondContact CD-OD1 3.27Å; P50-N79 WeakPolarHBondContact CG-OD1 3.35Å
51	M	72.8	Confident	68.7	Low	6 Å²	6	45.4 Å²	45.4	3%	0.03	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-64.1	130.3	173	-77.8	178	-146.2	0	0	108.7	F34 W48 K49 H53 V59 A97 G99 F109 Q110 Y112	F34-M51 HydrophobicContact CE2-CE 3.87Å; W48-M51 HydrophobicContact CZ3-CB 4.03Å; W48-M51 HydrophobicContact CZ3-CE 4.27Å; W48-M51 HydrophobicContact CZ3-CG 3.8Å; K49-M51 PolarHBondContact O-N 2.74Å; M51-H53 PolarHBondContact O-N 2.72Å; M51-V59 HydrophobicContact CE-CG1 4.19Å; M51-V59 HydrophobicContact CE-CG2 3.95Å; M51-A97 HydrophobicContact CE-CB 4.09Å; M51-G99 VanDerWaalsContact SD-CA 3.53Å; M51-F109 HydrophobicContact CB-CE2 3.71Å; M51-F109 HydrophobicContact CB-CZ 3.85Å; M51-F109 HydrophobicContact SD-CE2 4.43Å; M51-Q110 HydrophobicContact SD-CB 3.91Å; M51-Q110 HydrophobicContact SD-CG 4.16Å; M51-Y112 HydrophobicContact CE-CD2 3.62Å; M51-Y112 HydrophobicContact CE-CE2 3.94Å; M51-Y112 HydrophobicContact CG-CD2 4.37Å; M51-Y112 HydrophobicContact CG-CE2 3.69Å; M51-Y112 HydrophobicContact SD-CD2 4.06Å; M51-Y112 HydrophobicContact SD-CE2 3.85Å
52	A	72.5	Confident	69.9	Low	98 Å²	98	44.8 Å²	44.8	81%	0.81	24%	0.235	S	C	*	.	S	Bend	trans	-72.5	90.5	-172.1	0	0	0	0	0	111.2	P50	P50-A52 PolarHBondContact O-N 2.85Å
53	H	75.3	Confident	70.8	Confident	66 Å²	66	43.9 Å²	43.9	31%	0.306	22%	0.224	S	C	.	.			trans	-148.6	135.1	175.9	-168.8	-85.7	0	0	0	110.8	M51 D55 F56 F109	M51-H53 PolarHBondContact O-N 2.72Å; H53-D55 IonicContact CE1-OD2 2.69Å; H53-D55 PolarHBondContact ND1-N 3.08Å; H53-D55 VanDerWaalsContact ND1-N 3.18Å; H53-D55 PolarHBondContact O-N 3.28Å; H53-F56 HydrophobicContact CB-CB 4.37Å; H53-F56 WeakPolarHBondContact O-CB 3.27Å; H53-F56 PolarHBondContact O-N 2.97Å; H53-F109 HydrophobicContact CB-CD1 4.14Å; H53-F109 HydrophobicContact CB-CD2 3.58Å; H53-F109 HydrophobicContact CB-CE1 3.84Å; H53-F109 HydrophobicContact CB-CE2 3.26Å; H53-F109 HydrophobicContact CB-CG 4.02Å; H53-F109 HydrophobicContact CB-CZ 3.4Å; H53-F109 VanDerWaalsContact CB-CZ 3.4Å; H53-F109 AromaticContact CD2-CD1 3.95Å; H53-F109 AromaticContact CD2-CD2 3.55Å; H53-F109 AromaticContact CD2-CG 3.43Å; H53-F109 VanDerWaalsContact CD2-CG 3.43Å; H53-F109 WeakPolarHBondContact CD2-CG 3.24Å; H53-F109 AromaticContact CG-CD1 3.76Å; H53-F109 AromaticContact CG-CD2 3.67Å; H53-F109 AromaticContact CG-CE1 3.91Å; H53-F109 AromaticContact CG-CE2 3.86Å; H53-F109 AromaticContact CG-CG 3.64Å; H53-F109 AromaticContact CG-CZ 3.98Å; H53-F109 AromaticContact ND1-CD1 3.96Å; H53-F109 AromaticContact NE2-CG 3.98Å
54	K	79.3	Confident	71.6	Confident	187 Å²	187	43.5 Å²	43.5	81%	0.813	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.3	-174.6	59.3	170.4	-172.4	175.2	0	114.1
55	D	78.2	Confident	71.9	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.332	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	25	-177.9	-50.9	-42.8	0	0	0	111.5	H53 N57 N101 G102	H53-D55 IonicContact CE1-OD2 2.69Å; H53-D55 PolarHBondContact ND1-N 3.08Å; H53-D55 VanDerWaalsContact ND1-N 3.18Å; H53-D55 PolarHBondContact O-N 3.28Å; D55-N57 PolarHBondContact O-N 2.89Å; D55-N101 HydrophobicContact CB-CB 4.04Å; D55-N101 WeakPolarHBondContact O-CA 3.16Å; D55-N101 VanDerWaalsContact O-CB 3.3Å; D55-N101 WeakPolarHBondContact O-CB 3.46Å; D55-G102 PolarHBondContact O-N 3.45Å
56	F	76.7	Confident	72.3	Confident	35 Å²	35	54.6 Å²	54.6	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	133.7	177.5	169.8	-101.9	0	0	0	110.9	W48 H53 Y58 V59 F109	W48-F56 HydrophobicContact CH2-CD1 4.18Å; W48-F56 AromaticContact CH2-CD2 3.99Å; W48-F56 HydrophobicContact CH2-CD2 3.99Å; W48-F56 AromaticContact CH2-CE1 3.5Å; W48-F56 HydrophobicContact CH2-CE1 3.5Å; W48-F56 AromaticContact CH2-CE2 3.26Å; W48-F56 HydrophobicContact CH2-CE2 3.26Å; W48-F56 HydrophobicContact CH2-CG 4.42Å; W48-F56 AromaticContact CH2-CZ 3.01Å; W48-F56 HydrophobicContact CH2-CZ 3.01Å; W48-F56 HydrophobicContact CZ2-CD1 4.4Å; W48-F56 AromaticContact CZ2-CE1 3.39Å; W48-F56 HydrophobicContact CZ2-CE1 3.39Å; W48-F56 AromaticContact CZ2-CE2 3.83Å; W48-F56 HydrophobicContact CZ2-CE2 3.83Å; W48-F56 AromaticContact CZ2-CZ 3.06Å; W48-F56 HydrophobicContact CZ2-CZ 3.06Å; W48-F56 HydrophobicContact CZ3-CE2 4.22Å; W48-F56 HydrophobicContact CZ3-CZ 4.26Å; H53-F56 HydrophobicContact CB-CB 4.37Å; H53-F56 WeakPolarHBondContact O-CB 3.27Å; H53-F56 PolarHBondContact O-N 2.97Å; F56-Y58 VanDerWaalsContact CE2-C 3.44Å; F56-Y58 VanDerWaalsContact CE2-O 3.3Å; F56-Y58 WeakPolarHBondContact CE2-O 3.5Å; F56-V59 HydrophobicContact CE2-CG2 3.74Å; F56-V59 HydrophobicContact CZ-CG2 4.08Å; F56-F109 HydrophobicContact CB-CE1 4.49Å; F56-F109 HydrophobicContact CB-CZ 4.29Å; F56-F109 HydrophobicContact CD2-CE1 4.03Å; F56-F109 AromaticContact CD2-CZ 3.76Å; F56-F109 HydrophobicContact CD2-CZ 3.76Å; F56-F109 HydrophobicContact CG-CZ 4.49Å
57	N	77.3	Confident	72.3	Confident	48 Å²	48	62.6 Å²	62.6	26%	0.257	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	-50.4	178.3	-173.2	-16.7	0	0	0	111.9	D55 E77 H100 G102	D55-N57 PolarHBondContact O-N 2.89Å; N57-E77 WeakPolarHBondContact O-CG 3.4Å; N57-E77 PolarHBondContact O-N 2.97Å; N57-H100 PolarHBondContact N-O 2.86Å; N57-G102 VanDerWaalsContact ND2-CA 3.26Å; N57-G102 WeakPolarHBondContact ND2-CA 3.49Å
58	Y	76.9	Confident	72.6	Confident	12 Å²	12	69.9 Å²	69.9	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165.2	-177.9	59.9	-94	0	0	0	112	F56 F60 K74 V75 H100	F56-Y58 VanDerWaalsContact CE2-C 3.44Å; F56-Y58 VanDerWaalsContact CE2-O 3.3Å; F56-Y58 WeakPolarHBondContact CE2-O 3.5Å; Y58-F60 HydrophobicContact CD2-CD2 4.14Å; Y58-F60 HydrophobicContact CD2-CE2 4.13Å; Y58-F60 AromaticContact CE2-CD2 3.55Å; Y58-F60 HydrophobicContact CE2-CD2 3.55Å; Y58-F60 AromaticContact CE2-CE2 3.28Å; Y58-F60 HydrophobicContact CE2-CE2 3.28Å; Y58-F60 HydrophobicContact CE2-CG 4.43Å; Y58-F60 AromaticContact CE2-CZ 3.99Å; Y58-F60 HydrophobicContact CE2-CZ 3.99Å; Y58-K74 VanDerWaalsContact CD1-CE 3.47Å; Y58-K74 HydrophobicContact CD2-CD 4.1Å; Y58-K74 VanDerWaalsContact CD2-CE 3.41Å; Y58-K74 HydrophobicContact CD2-CG 3.92Å; Y58-K74 HydrophobicContact CE2-CD 4.42Å; Y58-K74 HydrophobicContact CG-CD 4.33Å; Y58-K74 HydrophobicContact CG-CG 4.28Å; Y58-V75 WeakPolarHBondContact CA-O 3.25Å; Y58-V75 VanDerWaalsContact CB-O 3.27Å; Y58-V75 WeakPolarHBondContact CB-O 3.38Å; Y58-H100 HydrophobicContact CD1-CB 4.5Å; Y58-H100 HydrophobicContact CD2-CB 3.86Å; Y58-H100 HydrophobicContact CE1-CB 4.05Å; Y58-H100 HydrophobicContact CE2-CB 3.33Å; Y58-H100 AromaticContact CE2-CD2 3.96Å; Y58-H100 AromaticContact CE2-CG 3.61Å; Y58-H100 HydrophobicContact CG-CB 4.41Å; Y58-H100 VanDerWaalsContact CZ-CB 3.44Å; Y58-H100 AromaticContact CZ-CG 3.97Å; Y58-H100 PolarHBondContact N-O 3.04Å; Y58-H100 PolarHBondContact O-N 2.81Å
59	V	76.9	Confident	72.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.7	171.5	177.7	0	0	0	0	110.2	F34 W48 M51 F56 V75 A97 E98	F34-V59 HydrophobicContact CE1-CG1 4.23Å; F34-V59 HydrophobicContact CE2-CG1 3.9Å; F34-V59 HydrophobicContact CE2-CG2 4.34Å; F34-V59 HydrophobicContact CZ-CB 3.78Å; F34-V59 HydrophobicContact CZ-CG1 3.37Å; F34-V59 HydrophobicContact CZ-CG2 3.87Å; W48-V59 HydrophobicContact CD2-CG2 4.29Å; W48-V59 HydrophobicContact CE3-CG2 3.87Å; W48-V59 HydrophobicContact CH2-CG2 3.5Å; W48-V59 VanDerWaalsContact CH2-CG2 3.5Å; W48-V59 HydrophobicContact CZ2-CG2 3.96Å; W48-V59 HydrophobicContact CZ3-CG2 3.4Å; W48-V59 VanDerWaalsContact CZ3-CG2 3.4Å; M51-V59 HydrophobicContact CE-CG1 4.19Å; M51-V59 HydrophobicContact CE-CG2 3.95Å; F56-V59 HydrophobicContact CE2-CG2 3.74Å; F56-V59 HydrophobicContact CZ-CG2 4.08Å; V59-V75 PolarHBondContact N-O 3.06Å; V59-V75 PolarHBondContact O-N 2.79Å; V59-A97 HydrophobicContact CG1-CB 3.96Å; V59-E98 CarbonylContact C-O 3.56Å; V59-E98 VanDerWaalsContact CA-O 3.26Å; V59-E98 WeakPolarHBondContact CA-O 3.1Å; V59-E98 WeakPolarHBondContact CG1-O 3.3Å
60	F	79	Confident	73.2	Confident	46 Å²	46	73 Å²	73	20%	0.202	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.6	161.1	-81.7	-64.3	0	0	0	109.4	Y58 V62 A73 K74 A97 E98 H100	Y58-F60 HydrophobicContact CD2-CD2 4.14Å; Y58-F60 HydrophobicContact CD2-CE2 4.13Å; Y58-F60 AromaticContact CE2-CD2 3.55Å; Y58-F60 HydrophobicContact CE2-CD2 3.55Å; Y58-F60 AromaticContact CE2-CE2 3.28Å; Y58-F60 HydrophobicContact CE2-CE2 3.28Å; Y58-F60 HydrophobicContact CE2-CG 4.43Å; Y58-F60 AromaticContact CE2-CZ 3.99Å; Y58-F60 HydrophobicContact CE2-CZ 3.99Å; F60-V62 HydrophobicContact CB-CG2 3.96Å; F60-A73 WeakPolarHBondContact CA-O 3.25Å; F60-K74 HydrophobicContact CD1-CB 3.88Å; F60-K74 HydrophobicContact CD1-CG 4.21Å; F60-K74 HydrophobicContact CE1-CB 3.56Å; F60-K74 HydrophobicContact CE1-CD 4.02Å; F60-K74 HydrophobicContact CE1-CG 3.86Å; F60-K74 HydrophobicContact CZ-CB 4.38Å; F60-K74 HydrophobicContact CZ-CD 4.01Å; F60-K74 HydrophobicContact CZ-CG 4.25Å; F60-A97 CarbonylContact O-C 3.21Å; F60-A97 WeakPolarHBondContact O-CA 3.31Å; F60-E98 PolarHBondContact N-O 2.83Å; F60-E98 PolarHBondContact O-N 2.9Å; F60-H100 AromaticContact CD2-CD2 3.65Å; F60-H100 AromaticContact CD2-NE2 3.59Å
61	L	75.2	Confident	73.4	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119	156.7	-166.2	74.3	0	0	0	107.6	T72 A73 L83 I86 Y95 R96 A97 I114	L61-T72 WeakPolarHBondContact O-CA 3.35Å; L61-A73 PolarHBondContact N-O 2.77Å; L61-A73 PolarHBondContact O-N 3.43Å; L61-L83 HydrophobicContact CB-CD1 3.31Å; L61-L83 HydrophobicContact CB-CD2 4.34Å; L61-L83 HydrophobicContact CB-CG 4.34Å; L61-L83 HydrophobicContact CD2-CD1 3.81Å; L61-L83 HydrophobicContact CD2-CD2 3.47Å; L61-L83 VanDerWaalsContact CD2-CD2 3.47Å; L61-L83 HydrophobicContact CD2-CG 4.28Å; L61-L83 HydrophobicContact CG-CD1 4.15Å; L61-I86 HydrophobicContact CD2-CD1 4.12Å; L61-I86 HydrophobicContact CD2-CG1 4.49Å; L61-I86 HydrophobicContact CG-CD1 4.37Å; L61-Y95 HydrophobicContact CD1-CG 4.43Å; L61-Y95 HydrophobicContact CD2-CD1 3.99Å; L61-Y95 HydrophobicContact CD2-CG 4.2Å; L61-Y95 HydrophobicContact CG-CD1 4.14Å; L61-Y95 HydrophobicContact CG-CG 4.29Å; L61-R96 CarbonylContact C-O 3.54Å; L61-R96 WeakPolarHBondContact CA-O 3.48Å; L61-A97 HydrophobicContact CD1-CB 4.33Å; L61-I114 HydrophobicContact CD1-CD1 3.78Å
62	V	78.2	Confident	73.3	Confident	4 Å²	4	76 Å²	76	2%	0.024	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122	-176.4	-174.8	0	0	0	0	107.6	F60 D70 T72 Y95 R96 E98	F60-V62 HydrophobicContact CB-CG2 3.96Å; V62-D70 HydrophobicContact CG1-CB 3.66Å; V62-T72 HydrophobicContact CB-CG2 4.34Å; V62-T72 HydrophobicContact CG1-CG2 4.05Å; V62-T72 HydrophobicContact CG2-CG2 3.96Å; V62-Y95 CarbonylContact O-C 3.36Å; V62-Y95 WeakPolarHBondContact O-CA 3.33Å; V62-R96 HydrophobicContact CB-CB 4.35Å; V62-R96 PolarHBondContact N-O 2.9Å; V62-R96 PolarHBondContact O-N 3.28Å; V62-E98 HydrophobicContact CG2-CG 4.1Å
63	Q	75.1	Confident	73.2	Confident	26 Å²	26	71.6 Å²	71.6	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.9	166.4	-171	-179.5	11.7	0	0	108.6	V65 V71 I86 G87 S93 Y95	Q63-V65 HydrophobicContact CG-CG2 4.29Å; Q63-V65 PolarHBondContact O-N 3.25Å; Q63-V71 HydrophobicContact CB-CB 4.41Å; Q63-V71 PolarHBondContact N-O 3.14Å; Q63-V71 PolarHBondContact O-N 3Å; Q63-I86 HydrophobicContact CB-CD1 3.94Å; Q63-G87 VanDerWaalsContact OE1-N 3.08Å; Q63-S93 PolarHBondContact NE2-OG 2.91Å; Q63-Y95 HydrophobicContact CB-CD1 3.62Å; Q63-Y95 HydrophobicContact CB-CE1 3.59Å; Q63-Y95 HydrophobicContact CG-CD1 3.94Å; Q63-Y95 HydrophobicContact CG-CE1 3.61Å
64	D	73.1	Confident	73	Confident	76 Å²	76	71.6 Å²	71.6	41%	0.406	35%	0.345	S	S	.	.			trans	-72.9	110	174.1	-60.9	-30.7	0	0	0	108.4	R96	D64-R96 IonicContact OD1-CZ 2.69Å; D64-R96 VanDerWaalsContact OD1-CZ 3.26Å; D64-R96 IonicContact OD1-NE 2.72Å; D64-R96 PolarHBondContact OD1-NE 3.42Å; D64-R96 IonicContact OD1-NH2 2.56Å; D64-R96 PolarHBondContact OD1-NH2 2.89Å; D64-R96 IonicContact OD2-NE 3.52Å; D64-R96 PolarHBondContact OD2-NE 2.86Å
65	V	66.6	Low	72.4	Confident	46 Å²	46	62.9 Å²	62.9	28%	0.279	31%	0.308	S	S	.	.			trans	-102.1	110.9	178	-173.5	0	0	0	0	108.6	Q63 F67 W68 V71	Q63-V65 HydrophobicContact CG-CG2 4.29Å; Q63-V65 PolarHBondContact O-N 3.25Å; V65-F67 PolarHBondContact O-N 3.27Å; V65-F67 VanDerWaalsContact O-N 3.16Å; V65-W68 HydrophobicContact CB-CB 4.13Å; V65-W68 HydrophobicContact CG1-CB 3.82Å; V65-W68 HydrophobicContact CG1-CG 4.18Å; V65-W68 PolarHBondContact O-N 3.11Å; V65-V71 HydrophobicContact CG2-CG2 3.89Å
66	Y	64.8	Low	71.7	Confident	188 Å²	188	67 Å²	67	74%	0.737	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	122.7	-178.3	-167.6	-117.9	0	0	0	111	W68	Y66-W68 VanDerWaalsContact C-N 3.35Å; Y66-W68 PolarHBondContact O-N 3.23Å
67	F	62.1	Low	70.9	Confident	172 Å²	172	71.1 Å²	71.1	75%	0.754	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	2.3	-174.7	-64.2	-68.8	0	0	0	118.3	V65	V65-F67 PolarHBondContact O-N 3.27Å; V65-F67 VanDerWaalsContact O-N 3.16Å
68	W	65.6	Low	70.1	Confident	204 Å²	204	69.8 Å²	69.8	77%	0.773	34%	0.337	S	S	*	.	S	Bend	trans	-125.2	167.9	-179.6	-61.5	92.9	0	0	0	111.6	V65 Y66 D70	V65-W68 HydrophobicContact CB-CB 4.13Å; V65-W68 HydrophobicContact CG1-CB 3.82Å; V65-W68 HydrophobicContact CG1-CG 4.18Å; V65-W68 PolarHBondContact O-N 3.11Å; Y66-W68 VanDerWaalsContact C-N 3.35Å; Y66-W68 PolarHBondContact O-N 3.23Å; W68-D70 PolarHBondContact O-N 2.69Å
69	S	72	Confident	69.4	Low	110 Å²	110	73.4 Å²	73.4	77%	0.769	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-59.3	136.8	169.2	-55.7	0	0	0	0	109.4	V71	S69-V71 PolarHBondContact O-N 3.35Å
70	D	75	Confident	68.4	Low	78 Å²	78	76.8 Å²	76.8	42%	0.417	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-55.5	139.3	175	-63.9	-19.4	0	0	0	110.5	V62 W68 T72 R96	V62-D70 HydrophobicContact CG1-CB 3.66Å; W68-D70 PolarHBondContact O-N 2.69Å; D70-T72 HydrophobicContact CB-CG2 4.32Å; D70-R96 IonicContact OD2-NH2 3.83Å
71	V	69.2	Low	67.2	Low	62 Å²	62	75.3 Å²	75.3	38%	0.376	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.7	171.4	-173.2	0	0	0	0	107	Q63 V65 S69 I86	Q63-V71 HydrophobicContact CB-CB 4.41Å; Q63-V71 PolarHBondContact N-O 3.14Å; Q63-V71 PolarHBondContact O-N 3Å; V65-V71 HydrophobicContact CG2-CG2 3.89Å; S69-V71 PolarHBondContact O-N 3.35Å; V71-I86 HydrophobicContact CB-CG2 4.47Å; V71-I86 HydrophobicContact CG1-CB 4.08Å; V71-I86 HydrophobicContact CG1-CG2 3.42Å; V71-I86 VanDerWaalsContact CG1-CG2 3.42Å
72	T	71.2	Confident	66.2	Low	71 Å²	71	77.4 Å²	77.4	44%	0.436	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.3	-176.1	63.1	0	0	0	0	110.9	L61 V62 D70	L61-T72 WeakPolarHBondContact O-CA 3.35Å; V62-T72 HydrophobicContact CB-CG2 4.34Å; V62-T72 HydrophobicContact CG1-CG2 4.05Å; V62-T72 HydrophobicContact CG2-CG2 3.96Å; D70-T72 HydrophobicContact CB-CG2 4.32Å
73	A	68.5	Low	65.4	Low	5 Å²	5	77.2 Å²	77.2	4%	0.041	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130	172.8	0	0	0	0	0	109.6	F60 L61 L83 E84	F60-A73 WeakPolarHBondContact CA-O 3.25Å; L61-A73 PolarHBondContact N-O 2.77Å; L61-A73 PolarHBondContact O-N 3.43Å; A73-L83 HydrophobicContact CB-CD1 4.08Å; A73-L83 HydrophobicContact CB-CD2 4.1Å; A73-L83 HydrophobicContact CB-CG 3.65Å; A73-E84 HydrophobicContact CB-CB 4.19Å
74	K	72.4	Confident	64.8	Low	67 Å²	67	81.5 Å²	81.5	29%	0.291	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127	-173.2	-167.4	173.8	175.1	-175.8	0	111.7	Y58 F60 Y76	Y58-K74 VanDerWaalsContact CD1-CE 3.47Å; Y58-K74 HydrophobicContact CD2-CD 4.1Å; Y58-K74 VanDerWaalsContact CD2-CE 3.41Å; Y58-K74 HydrophobicContact CD2-CG 3.92Å; Y58-K74 HydrophobicContact CE2-CD 4.42Å; Y58-K74 HydrophobicContact CG-CD 4.33Å; Y58-K74 HydrophobicContact CG-CG 4.28Å; F60-K74 HydrophobicContact CD1-CB 3.88Å; F60-K74 HydrophobicContact CD1-CG 4.21Å; F60-K74 HydrophobicContact CE1-CB 3.56Å; F60-K74 HydrophobicContact CE1-CD 4.02Å; F60-K74 HydrophobicContact CE1-CG 3.86Å; F60-K74 HydrophobicContact CZ-CB 4.38Å; F60-K74 HydrophobicContact CZ-CD 4.01Å; F60-K74 HydrophobicContact CZ-CG 4.25Å; K74-Y76 HydrophobicContact CD-CE1 3.93Å; K74-Y76 HydrophobicContact CD-CE2 4.04Å; K74-Y76 HydrophobicContact CG-CE2 4.2Å; K74-Y76 VanDerWaalsContact NZ-CE1 3.29Å; K74-Y76 PolarHBondContact NZ-OH 2.88Å
75	V	65.9	Low	64.4	Low	3 Å²	3	78.9 Å²	78.9	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.4	171.6	-174.2	0	0	0	0	108.8	Y58 V59 L83	Y58-V75 WeakPolarHBondContact CA-O 3.25Å; Y58-V75 VanDerWaalsContact CB-O 3.27Å; Y58-V75 WeakPolarHBondContact CB-O 3.38Å; V59-V75 PolarHBondContact N-O 3.06Å; V59-V75 PolarHBondContact O-N 2.79Å; V75-L83 HydrophobicContact CG2-CB 4.22Å; V75-L83 HydrophobicContact CG2-CD1 3.59Å; V75-L83 HydrophobicContact CG2-CG 4.41Å
76	Y	64.8	Low	64.4	Low	149 Å²	149	77.1 Å²	77.1	58%	0.584	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	164.5	178.9	-67.9	-88.1	0	0	0	112.3	K74	K74-Y76 HydrophobicContact CD-CE1 3.93Å; K74-Y76 HydrophobicContact CD-CE2 4.04Å; K74-Y76 HydrophobicContact CG-CE2 4.2Å; K74-Y76 VanDerWaalsContact NZ-CE1 3.29Å; K74-Y76 PolarHBondContact NZ-OH 2.88Å
77	E	58.3	Low	64.8	Low	121 Å²	121	68.9 Å²	68.9	57%	0.565	35%	0.351	S	S	*	.	S	Bend	trans	-35.4	139.4	-175.5	-71.4	-173.6	172.3	0	0	115.8	N57	N57-E77 WeakPolarHBondContact O-CG 3.4Å; N57-E77 PolarHBondContact O-N 2.97Å
78	G	61.4	Low	65.7	Low	20 Å²	20	66.1 Å²	66.1	21%	0.206	34%	0.341	C	S	.	.	S	Bend	trans	135.2	-169.7	175.8	0	0	0	0	0	111.1	W48	W48-G78 VanDerWaalsContact CZ2-O 3.32Å; W48-G78 WeakPolarHBondContact CZ2-O 3.42Å; W48-G78 PolarHBondContact NE1-O 2.73Å
79	N	62.5	Low	66.5	Low	88 Å²	88	56.5 Å²	56.5	47%	0.471	31%	0.305	S	S	.	.	S	Bend	trans	-102.7	-3.6	173.1	-58.6	-5	0	0	0	111.2	E47 W48 P50	E47-N79 CarbonylContact C-O 3.47Å; E47-N79 WeakPolarHBondContact CA-O 3.17Å; E47-N79 WeakPolarHBondContact CG-O 3.1Å; W48-N79 VanDerWaalsContact CD1-C 3.49Å; W48-N79 PolarHBondContact N-O 3.45Å; W48-N79 WeakPolarHBondContact O-CA 2.99Å; W48-N79 WeakPolarHBondContact O-CB 3.35Å; P50-N79 WeakPolarHBondContact CD-OD1 3.27Å; P50-N79 WeakPolarHBondContact CG-OD1 3.35Å
80	M	54.6	Low	67.1	Low	72 Å²	72	52.5 Å²	52.5	36%	0.355	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.7	-178.9	-65.6	-177.9	-67.2	0	0	109.7	I37 F46 E47	I37-M80 HydrophobicContact CD1-SD 4.1Å; F46-M80 CarbonylContact O-C 3.5Å; F46-M80 WeakPolarHBondContact O-CA 3.3Å; E47-M80 HydrophobicContact CB-CG 3.75Å; E47-M80 HydrophobicContact CG-CG 3.64Å; E47-M80 HydrophobicContact CG-SD 4.46Å
81	G	55.1	Low	67.6	Low	15 Å²	15	53.1 Å²	53.1	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	178.8	173.1	0	0	0	0	0	113.6	A45 F46	A45-G81 WeakPolarHBondContact CA-O 3.41Å; F46-G81 PolarHBondContact N-O 3.23Å; F46-G81 PolarHBondContact O-N 3.29Å
82	L	54.8	Low	68.2	Low	49 Å²	49	54.2 Å²	54.2	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.2	175.6	-66.7	174.7	0	0	0	109.8	F43 A45 M226	F43-L82 HydrophobicContact CB-CB 4.1Å; F43-L82 HydrophobicContact CB-CD2 3.93Å; F43-L82 HydrophobicContact CB-CG 4.48Å; F43-L82 HydrophobicContact CD1-CB 4.24Å; F43-L82 HydrophobicContact CG-CB 4.21Å; A45-L82 HydrophobicContact CB-CD2 4.35Å; L82-M226 HydrophobicContact CD1-CE 4.37Å; L82-M226 HydrophobicContact CD2-CE 3.26Å; L82-M226 HydrophobicContact CG-CE 3.57Å
83	L	60.3	Low	68.5	Low	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.7	178	-169.9	123.6	0	0	0	108.7	F43 M44 F46 L61 A73 V75 A85 I86	F43-L83 CarbonylContact C-O 3.54Å; F43-L83 VanDerWaalsContact C-O 3.31Å; F43-L83 WeakPolarHBondContact CA-O 3.42Å; M44-L83 HydrophobicContact CE-CD2 3.82Å; M44-L83 PolarHBondContact N-O 3.17Å; M44-L83 PolarHBondContact O-N 2.81Å; F46-L83 HydrophobicContact CD2-CB 3.46Å; F46-L83 VanDerWaalsContact CD2-CB 3.46Å; F46-L83 HydrophobicContact CD2-CD1 4.38Å; F46-L83 HydrophobicContact CD2-CD2 4.34Å; F46-L83 HydrophobicContact CD2-CG 4.23Å; F46-L83 HydrophobicContact CE2-CB 3.52Å; F46-L83 HydrophobicContact CE2-CD1 4.3Å; F46-L83 HydrophobicContact CE2-CD2 3.56Å; F46-L83 HydrophobicContact CE2-CG 3.94Å; F46-L83 HydrophobicContact CZ-CD2 4.18Å; L61-L83 HydrophobicContact CB-CD1 3.31Å; L61-L83 HydrophobicContact CB-CD2 4.34Å; L61-L83 HydrophobicContact CB-CG 4.34Å; L61-L83 HydrophobicContact CD2-CD1 3.81Å; L61-L83 HydrophobicContact CD2-CD2 3.47Å; L61-L83 VanDerWaalsContact CD2-CD2 3.47Å; L61-L83 HydrophobicContact CD2-CG 4.28Å; L61-L83 HydrophobicContact CG-CD1 4.15Å; A73-L83 HydrophobicContact CB-CD1 4.08Å; A73-L83 HydrophobicContact CB-CD2 4.1Å; A73-L83 HydrophobicContact CB-CG 3.65Å; V75-L83 HydrophobicContact CG2-CB 4.22Å; V75-L83 HydrophobicContact CG2-CD1 3.59Å; V75-L83 HydrophobicContact CG2-CG 4.41Å; L83-A85 PolarHBondContact O-N 2.68Å; L83-I86 HydrophobicContact CD2-CG1 4.44Å
84	E	63.7	Low	69	Low	116 Å²	116	58.8 Å²	58.8	54%	0.542	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	133.5	174.9	-172.8	171	-175.2	0	0	109.8	F43 A73 I86	F43-E84 HydrophobicContact CD1-CB 4.36Å; F43-E84 HydrophobicContact CE1-CB 4.43Å; A73-E84 HydrophobicContact CB-CB 4.19Å; E84-I86 PolarHBondContact O-N 2.86Å; E84-I86 VanDerWaalsContact O-N 3.12Å
85	A	64.5	Low	69.2	Low	21 Å²	21	55.9 Å²	55.9	17%	0.174	29%	0.285	C	S	.	.			trans	-73.4	112.5	-177.3	0	0	0	0	0	110.5	A42 M44 L83 R121	A42-A85 PolarHBondContact O-N 3.16Å; M44-A85 HydrophobicContact CE-CB 4.24Å; M44-A85 HydrophobicContact CG-CB 4.26Å; L83-A85 PolarHBondContact O-N 2.68Å; A85-R121 VanDerWaalsContact CB-CZ 3.47Å
86	I	66.1	Low	69.9	Low	8 Å²	8	58.4 Å²	58.4	4%	0.041	30%	0.295	C	S	.	.			trans	-111.7	152.2	-178.6	55.4	171.4	0	0	0	109.5	L61 Q63 V71 L83 E84 Y95	L61-I86 HydrophobicContact CD2-CD1 4.12Å; L61-I86 HydrophobicContact CD2-CG1 4.49Å; L61-I86 HydrophobicContact CG-CD1 4.37Å; Q63-I86 HydrophobicContact CB-CD1 3.94Å; V71-I86 HydrophobicContact CB-CG2 4.47Å; V71-I86 HydrophobicContact CG1-CB 4.08Å; V71-I86 HydrophobicContact CG1-CG2 3.42Å; V71-I86 VanDerWaalsContact CG1-CG2 3.42Å; L83-I86 HydrophobicContact CD2-CG1 4.44Å; E84-I86 PolarHBondContact O-N 2.86Å; E84-I86 VanDerWaalsContact O-N 3.12Å; I86-Y95 HydrophobicContact CD1-CD1 3.82Å; I86-Y95 HydrophobicContact CD1-CE1 3.7Å; I86-Y95 HydrophobicContact CG1-CD1 4.25Å; I86-Y95 HydrophobicContact CG1-CE1 3.64Å; I86-Y95 PolarHBondContact O-OH 3.49Å
87	G	72.6	Confident	70.6	Confident	15 Å²	15	51.3 Å²	51.3	16%	0.155	27%	0.267	C	S	.	.	S	Bend	trans	87.5	159.3	-179.9	0	0	0	0	0	116.2	Q63 R118	Q63-G87 VanDerWaalsContact OE1-N 3.08Å; G87-R118 PolarHBondContact O-NE 3.12Å; G87-R118 PolarHBondContact O-NH2 3.42Å
88	E	81.3	Confident	71.7	Confident	114 Å²	114	46.5 Å²	46.5	53%	0.533	25%	0.245	S	C	.	.			trans	-77.6	142.4	-177	-70.1	-60.2	139.8	0	0	111.9	E91	E88-E91 HydrophobicContact CB-CB 4.45Å
89	P	82.8	Confident	72.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.013	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-71.2	149.3	177.4	31.5	-29.4	0	0	0	110.1	E91 P120 E142 R143	P89-E91 PolarHBondContact O-N 2.71Å; P89-P120 HydrophobicContact CB-CB 4.12Å; P89-P120 HydrophobicContact CB-CG 3.97Å; P89-E142 HydrophobicContact CG-CG 4.29Å; P89-R143 HydrophobicContact CG-CB 3.77Å; P89-R143 HydrophobicContact CG-CG 4.45Å; P89-R143 PolarHBondContact O-NH1 3.31Å
90	C	85.1	Confident	73.4	Confident	26 Å²	26	42 Å²	42	18%	0.176	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-0.9	-176.4	-51.7	0	0	0	0	117	K117 R118 P120 C146	C90-K117 WeakPolarHBondContact O-CE 2.98Å; C90-R118 PolarHBondContact N-O 2.93Å; C90-P120 WeakPolarHBondContact SG-CG 3.26Å; C90-C146 WeakPolarHBondContact CA-SG 3.18Å; C90-C146 HydrophobicContact CB-CB 3.64Å; C90-C146 WeakPolarHBondContact CB-SG 3.39Å; C90-C146 WeakPolarHBondContact SG-CA 3.5Å; C90-C146 WeakPolarHBondContact SG-CB 3.37Å; C90-C146 PolarHBondContact SG-N 3.01Å; C90-C146 VanDerWaalsContact SG-N 3.4Å; C90-C146 CovalentContact SG-SG 2.04Å; C90-C146 PolarHBondContact SG-SG 3.14Å
91	E	84.3	Confident	74.6	Confident	92 Å²	92	39.2 Å²	39.2	43%	0.43	20%	0.202	S	C	.	.	S	Bend	trans	-107.7	132.1	177.4	-70.3	175.3	-152.8	0	0	110.2	E88 P89 S93 R143	E88-E91 HydrophobicContact CB-CB 4.45Å; P89-E91 PolarHBondContact O-N 2.71Å; E91-S93 PolarHBondContact O-N 3.15Å; E91-S93 VanDerWaalsContact O-N 3.11Å; E91-R143 IonicContact OE1-CZ 3.9Å; E91-R143 IonicContact OE1-NH1 3.58Å; E91-R143 PolarHBondContact OE1-NH1 3.49Å; E91-R143 IonicContact OE1-NH2 3.07Å; E91-R143 PolarHBondContact OE1-NH2 2.84Å
92	V	81.9	Confident	75.2	Confident	84 Å²	84	40.8 Å²	40.8	51%	0.509	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	106.8	172.7	-179.6	0	0	0	0	107.2	T115 K117	V92-T115 HydrophobicContact CG1-CG2 4.43Å; V92-K117 HydrophobicContact CG2-CB 3.97Å; V92-K117 HydrophobicContact CG2-CD 4.25Å; V92-K117 HydrophobicContact CG2-CG 4.37Å
93	S	76.8	Confident	75.8	Confident	15 Å²	15	42.6 Å²	42.6	11%	0.105	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.5	177.3	-69.8	0	0	0	0	110.3	Q63 E91 Y95 T115 Y116	Q63-S93 PolarHBondContact NE2-OG 2.91Å; E91-S93 PolarHBondContact O-N 3.15Å; E91-S93 VanDerWaalsContact O-N 3.11Å; S93-Y95 WeakPolarHBondContact CB-OH 3.05Å; S93-Y95 WeakPolarHBondContact O-CD2 3.4Å; S93-Y95 WeakPolarHBondContact O-CE2 3.29Å; S93-T115 WeakPolarHBondContact O-CA 3.27Å; S93-Y116 PolarHBondContact N-O 3.19Å; S93-Y116 PolarHBondContact O-N 3.16Å
94	K	79.5	Confident	75.7	Confident	158 Å²	158	49.9 Å²	49.9	69%	0.687	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.2	172.2	-65.9	-178	-179	-177.7	0	109.2	I114 T115	K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.32Å; K94-T115 HydrophobicContact CG-CG2 4.07Å
95	Y	77.3	Confident	75.6	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.02	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.5	178.8	-56	-87.4	0	0	0	109.6	L61 V62 Q63 I86 S93 I114	L61-Y95 HydrophobicContact CD1-CG 4.43Å; L61-Y95 HydrophobicContact CD2-CD1 3.99Å; L61-Y95 HydrophobicContact CD2-CG 4.2Å; L61-Y95 HydrophobicContact CG-CD1 4.14Å; L61-Y95 HydrophobicContact CG-CG 4.29Å; V62-Y95 CarbonylContact O-C 3.36Å; V62-Y95 WeakPolarHBondContact O-CA 3.33Å; Q63-Y95 HydrophobicContact CB-CD1 3.62Å; Q63-Y95 HydrophobicContact CB-CE1 3.59Å; Q63-Y95 HydrophobicContact CG-CD1 3.94Å; Q63-Y95 HydrophobicContact CG-CE1 3.61Å; I86-Y95 HydrophobicContact CD1-CD1 3.82Å; I86-Y95 HydrophobicContact CD1-CE1 3.7Å; I86-Y95 HydrophobicContact CG1-CD1 4.25Å; I86-Y95 HydrophobicContact CG1-CE1 3.64Å; I86-Y95 PolarHBondContact O-OH 3.49Å; S93-Y95 WeakPolarHBondContact CB-OH 3.05Å; S93-Y95 WeakPolarHBondContact O-CD2 3.4Å; S93-Y95 WeakPolarHBondContact O-CE2 3.29Å; Y95-I114 HydrophobicContact CD2-CG2 4.41Å; Y95-I114 PolarHBondContact N-O 3.12Å; Y95-I114 PolarHBondContact O-N 3.22Å; Y95-I114 VanDerWaalsContact O-O 3.12Å
96	R	81.3	Confident	75.3	Confident	56 Å²	56	59.8 Å²	59.8	21%	0.211	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.6	171.4	-61.8	-176.1	-70.6	118	4	108.2	L61 V62 D64 D70 E98 T111 Y112	L61-R96 CarbonylContact C-O 3.54Å; L61-R96 WeakPolarHBondContact CA-O 3.48Å; V62-R96 HydrophobicContact CB-CB 4.35Å; V62-R96 PolarHBondContact N-O 2.9Å; V62-R96 PolarHBondContact O-N 3.28Å; D64-R96 IonicContact OD1-CZ 2.69Å; D64-R96 VanDerWaalsContact OD1-CZ 3.26Å; D64-R96 IonicContact OD1-NE 2.72Å; D64-R96 PolarHBondContact OD1-NE 3.42Å; D64-R96 IonicContact OD1-NH2 2.56Å; D64-R96 PolarHBondContact OD1-NH2 2.89Å; D64-R96 IonicContact OD2-NE 3.52Å; D64-R96 PolarHBondContact OD2-NE 2.86Å; D70-R96 IonicContact OD2-NH2 3.83Å; R96-E98 IonicContact CZ-OE1 2.81Å; R96-E98 IonicContact NH1-OE1 3.38Å; R96-E98 PolarHBondContact NH1-OE1 3.49Å; R96-E98 IonicContact NH2-OE1 2.75Å; R96-T111 HydrophobicContact CB-CG2 3.9Å; R96-T111 HydrophobicContact CG-CG2 4.36Å; R96-Y112 CarbonylContact C-O 3.35Å; R96-Y112 WeakPolarHBondContact CA-O 3.46Å
97	A	78.2	Confident	75.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.8	167.4	0	0	0	0	0	108.6	F34 M51 V59 F60 L61 T111 Y112 I114	F34-A97 HydrophobicContact CD2-CB 3.75Å; F34-A97 HydrophobicContact CE2-CB 3.57Å; F34-A97 HydrophobicContact CG-CB 4.49Å; F34-A97 HydrophobicContact CZ-CB 4.18Å; M51-A97 HydrophobicContact CE-CB 4.09Å; V59-A97 HydrophobicContact CG1-CB 3.96Å; F60-A97 CarbonylContact O-C 3.21Å; F60-A97 WeakPolarHBondContact O-CA 3.31Å; L61-A97 HydrophobicContact CD1-CB 4.33Å; A97-T111 CarbonylContact O-C 3.59Å; A97-T111 VanDerWaalsContact O-CA 3.3Å; A97-T111 WeakPolarHBondContact O-CA 2.98Å; A97-Y112 PolarHBondContact N-O 3.47Å; A97-Y112 PolarHBondContact O-N 2.81Å; A97-I114 HydrophobicContact CB-CD1 3.5Å; A97-I114 VanDerWaalsContact CB-CD1 3.5Å
98	E	81.1	Confident	75.6	Confident	21 Å²	21	65.9 Å²	65.9	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.5	-179.5	-61.6	-174.6	172.9	0	0	110.4	V59 F60 V62 R96 H100 H108 Q110 T111	V59-E98 CarbonylContact C-O 3.56Å; V59-E98 VanDerWaalsContact CA-O 3.26Å; V59-E98 WeakPolarHBondContact CA-O 3.1Å; V59-E98 WeakPolarHBondContact CG1-O 3.3Å; F60-E98 PolarHBondContact N-O 2.83Å; F60-E98 PolarHBondContact O-N 2.9Å; V62-E98 HydrophobicContact CG2-CG 4.1Å; R96-E98 IonicContact CZ-OE1 2.81Å; R96-E98 IonicContact NH1-OE1 3.38Å; R96-E98 PolarHBondContact NH1-OE1 3.49Å; R96-E98 IonicContact NH2-OE1 2.75Å; E98-H100 WeakPolarHBondContact CB-NE2 3.42Å; E98-H100 PolarHBondContact O-CD2 3.14Å; E98-H100 VanDerWaalsContact O-CD2 3.26Å; E98-H100 IonicContact OE2-CE1 2.67Å; E98-H100 IonicContact OE2-NE2 2.84Å; E98-H100 PolarHBondContact OE2-NE2 2.85Å; E98-H100 VanDerWaalsContact OE2-NE2 3.11Å; E98-H108 HydrophobicContact CB-CB 4.12Å; E98-H108 IonicContact OE2-ND1 3.22Å; E98-Q110 WeakPolarHBondContact CA-O 3.05Å; E98-T111 HydrophobicContact CG-CG2 4.17Å
99	G	80.5	Confident	75.5	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.8	173.1	0	0	0	0	0	111.2	M51 H108 F109 Q110	M51-G99 VanDerWaalsContact SD-CA 3.53Å; G99-H108 CarbonylContact O-C 3.58Å; G99-H108 WeakPolarHBondContact O-CA 3.38Å; G99-F109 WeakPolarHBondContact O-CD1 3.42Å; G99-F109 VanDerWaalsContact O-CE1 3.31Å; G99-F109 WeakPolarHBondContact O-CE1 3.41Å; G99-F109 PolarHBondContact O-N 2.87Å; G99-Q110 PolarHBondContact N-O 2.97Å
100	H	80.2	Confident	75.4	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.06	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.5	-177.4	-74.5	-99.3	0	0	0	112	N57 Y58 F60 E98	N57-H100 PolarHBondContact N-O 2.86Å; Y58-H100 HydrophobicContact CD1-CB 4.5Å; Y58-H100 HydrophobicContact CD2-CB 3.86Å; Y58-H100 HydrophobicContact CE1-CB 4.05Å; Y58-H100 HydrophobicContact CE2-CB 3.33Å; Y58-H100 AromaticContact CE2-CD2 3.96Å; Y58-H100 AromaticContact CE2-CG 3.61Å; Y58-H100 HydrophobicContact CG-CB 4.41Å; Y58-H100 VanDerWaalsContact CZ-CB 3.44Å; Y58-H100 AromaticContact CZ-CG 3.97Å; Y58-H100 PolarHBondContact N-O 3.04Å; Y58-H100 PolarHBondContact O-N 2.81Å; F60-H100 AromaticContact CD2-CD2 3.65Å; F60-H100 AromaticContact CD2-NE2 3.59Å; E98-H100 WeakPolarHBondContact CB-NE2 3.42Å; E98-H100 PolarHBondContact O-CD2 3.14Å; E98-H100 VanDerWaalsContact O-CD2 3.26Å; E98-H100 IonicContact OE2-CE1 2.67Å; E98-H100 IonicContact OE2-NE2 2.84Å; E98-H100 PolarHBondContact OE2-NE2 2.85Å; E98-H100 VanDerWaalsContact OE2-NE2 3.11Å
101	N	79.4	Confident	75.2	Confident	14 Å²	14	67.2 Å²	67.2	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.9	172.3	64.3	37.9	0	0	0	112	D55 N103 S107	D55-N101 HydrophobicContact CB-CB 4.04Å; D55-N101 WeakPolarHBondContact O-CA 3.16Å; D55-N101 VanDerWaalsContact O-CB 3.3Å; D55-N101 WeakPolarHBondContact O-CB 3.46Å; N101-N103 PolarHBondContact O-N 2.82Å; N101-N103 PolarHBondContact OD1-N 3.23Å; N101-S107 PolarHBondContact ND2-OG 2.53Å
102	G	68.6	Low	74.7	Confident	48 Å²	48	65.5 Å²	65.5	50%	0.495	33%	0.33	S	S	.	.	S	Bend	trans	-80.7	5.9	177	0	0	0	0	0	115.5	D55 N57	D55-G102 PolarHBondContact O-N 3.45Å; N57-G102 VanDerWaalsContact ND2-CA 3.26Å; N57-G102 WeakPolarHBondContact ND2-CA 3.49Å
103	N	66.4	Low	74.4	Confident	86 Å²	86	67.1 Å²	67.1	46%	0.46	34%	0.335	S	S	.	.	S	Bend	trans	-79.7	158.9	-173.1	-65.1	-38.7	0	0	0	111.5	N101 F105	N101-N103 PolarHBondContact O-N 2.82Å; N101-N103 PolarHBondContact OD1-N 3.23Å; N103-F105 PolarHBondContact O-N 3.35Å; N103-F105 VanDerWaalsContact O-N 3.12Å
104	I	59.2	Low	74.3	Confident	154 Å²	154	66.5 Å²	66.5	79%	0.79	33%	0.331	S	S	*	.	S	Bend	trans	-57.2	-30	-177.8	-61.4	170.7	0	0	0	112.3	F106	I104-F106 PolarHBondContact O-N 2.85Å
105	F	60	Low	74	Confident	172 Å²	172	59.8 Å²	59.8	75%	0.754	30%	0.303	S	S	*	.	S	Bend	trans	-91.3	102.5	174.9	-61.8	-75.2	0	0	0	109.9	N103 S107	N103-F105 PolarHBondContact O-N 3.35Å; N103-F105 VanDerWaalsContact O-N 3.12Å; F105-S107 PolarHBondContact O-N 3.36Å; F105-S107 PolarHBondContact O-OG 2.98Å
106	F	59.8	Low	73.7	Confident	172 Å²	172	59.8 Å²	59.8	75%	0.754	30%	0.303	S	S	*	.			trans	-52.9	98.7	171.1	-59.4	-83	0	0	0	109.7	I104	I104-F106 PolarHBondContact O-N 2.85Å
107	S	68.3	Low	73.5	Confident	52 Å²	52	58.6 Å²	58.6	36%	0.364	30%	0.299	S	S	.	.			trans	-128.9	115.1	173.4	43.2	0	0	0	0	106.9	N101 F105	N101-S107 PolarHBondContact ND2-OG 2.53Å; F105-S107 PolarHBondContact O-N 3.36Å; F105-S107 PolarHBondContact O-OG 2.98Å
108	H	76.5	Confident	73.6	Confident	99 Å²	99	59.1 Å²	59.1	46%	0.458	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.3	164	64	-101.1	0	0	0	107.6	E98 G99	E98-H108 HydrophobicContact CB-CB 4.12Å; E98-H108 IonicContact OE2-ND1 3.22Å; G99-H108 CarbonylContact O-C 3.58Å; G99-H108 WeakPolarHBondContact O-CA 3.38Å
109	F	78.4	Confident	73.4	Confident	54 Å²	54	58.2 Å²	58.2	24%	0.237	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-14.5	-177.6	62.4	-99.8	0	0	0	112.1	M51 H53 F56 G99	M51-F109 HydrophobicContact CB-CE2 3.71Å; M51-F109 HydrophobicContact CB-CZ 3.85Å; M51-F109 HydrophobicContact SD-CE2 4.43Å; H53-F109 HydrophobicContact CB-CD1 4.14Å; H53-F109 HydrophobicContact CB-CD2 3.58Å; H53-F109 HydrophobicContact CB-CE1 3.84Å; H53-F109 HydrophobicContact CB-CE2 3.26Å; H53-F109 HydrophobicContact CB-CG 4.02Å; H53-F109 HydrophobicContact CB-CZ 3.4Å; H53-F109 VanDerWaalsContact CB-CZ 3.4Å; H53-F109 AromaticContact CD2-CD1 3.95Å; H53-F109 AromaticContact CD2-CD2 3.55Å; H53-F109 AromaticContact CD2-CG 3.43Å; H53-F109 VanDerWaalsContact CD2-CG 3.43Å; H53-F109 WeakPolarHBondContact CD2-CG 3.24Å; H53-F109 AromaticContact CG-CD1 3.76Å; H53-F109 AromaticContact CG-CD2 3.67Å; H53-F109 AromaticContact CG-CE1 3.91Å; H53-F109 AromaticContact CG-CE2 3.86Å; H53-F109 AromaticContact CG-CG 3.64Å; H53-F109 AromaticContact CG-CZ 3.98Å; H53-F109 AromaticContact ND1-CD1 3.96Å; H53-F109 AromaticContact NE2-CG 3.98Å; F56-F109 HydrophobicContact CB-CE1 4.49Å; F56-F109 HydrophobicContact CB-CZ 4.29Å; F56-F109 HydrophobicContact CD2-CE1 4.03Å; F56-F109 AromaticContact CD2-CZ 3.76Å; F56-F109 HydrophobicContact CD2-CZ 3.76Å; F56-F109 HydrophobicContact CG-CZ 4.49Å; G99-F109 WeakPolarHBondContact O-CD1 3.42Å; G99-F109 VanDerWaalsContact O-CE1 3.31Å; G99-F109 WeakPolarHBondContact O-CE1 3.41Å; G99-F109 PolarHBondContact O-N 2.87Å
110	Q	79.9	Confident	73.5	Confident	63 Å²	63	58.4 Å²	58.4	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	144.2	-179.6	-171	164.5	31.9	0	0	110.5	M51 E98 G99 Y112	M51-Q110 HydrophobicContact SD-CB 3.91Å; M51-Q110 HydrophobicContact SD-CG 4.16Å; E98-Q110 WeakPolarHBondContact CA-O 3.05Å; G99-Q110 PolarHBondContact N-O 2.97Å; Q110-Y112 HydrophobicContact CG-CD2 4.3Å; Q110-Y112 HydrophobicContact CG-CE2 3.62Å; Q110-Y112 PolarHBondContact NE2-OH 3.47Å
111	T	80.9	Confident	73.4	Confident	54 Å²	54	58.5 Å²	58.5	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.3	179.8	-53.8	0	0	0	0	109.9	R96 A97 E98	R96-T111 HydrophobicContact CB-CG2 3.9Å; R96-T111 HydrophobicContact CG-CG2 4.36Å; A97-T111 CarbonylContact O-C 3.59Å; A97-T111 VanDerWaalsContact O-CA 3.3Å; A97-T111 WeakPolarHBondContact O-CA 2.98Å; E98-T111 HydrophobicContact CG-CG2 4.17Å
112	Y	74.8	Confident	73.3	Confident	56 Å²	56	57.9 Å²	57.9	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.3	170.6	-66.8	-92.9	0	0	0	110.4	T33 M51 R96 A97 Q110	T33-Y112 HydrophobicContact CG2-CD1 4.27Å; T33-Y112 HydrophobicContact CG2-CE1 3.82Å; T33-Y112 HydrophobicContact CG2-CE2 4.32Å; M51-Y112 HydrophobicContact CE-CD2 3.62Å; M51-Y112 HydrophobicContact CE-CE2 3.94Å; M51-Y112 HydrophobicContact CG-CD2 4.37Å; M51-Y112 HydrophobicContact CG-CE2 3.69Å; M51-Y112 HydrophobicContact SD-CD2 4.06Å; M51-Y112 HydrophobicContact SD-CE2 3.85Å; R96-Y112 CarbonylContact C-O 3.35Å; R96-Y112 WeakPolarHBondContact CA-O 3.46Å; A97-Y112 PolarHBondContact N-O 3.47Å; A97-Y112 PolarHBondContact O-N 2.81Å; Q110-Y112 HydrophobicContact CG-CD2 4.3Å; Q110-Y112 HydrophobicContact CG-CE2 3.62Å; Q110-Y112 PolarHBondContact NE2-OH 3.47Å
113	D	76.3	Confident	73.7	Confident	117 Å²	117	58.1 Å²	58.1	63%	0.626	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	130	173.6	-64.9	-39.6	0	0	0	110.6	T22	T22-D113 PolarHBondContact OG1-O 3.39Å
114	I	74	Confident	74.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.6	-173.1	-69.4	174.1	0	0	0	108	L20 F34 L61 K94 Y95 A97	L20-I114 HydrophobicContact CB-CG2 3.95Å; L20-I114 HydrophobicContact CD1-CD1 4.11Å; L20-I114 HydrophobicContact CD1-CG1 4.41Å; L20-I114 HydrophobicContact CD1-CG2 3.39Å; L20-I114 HydrophobicContact CD2-CG2 4.36Å; L20-I114 HydrophobicContact CG-CG2 4.08Å; F34-I114 HydrophobicContact CB-CD1 3.88Å; F34-I114 HydrophobicContact CD2-CD1 4.15Å; F34-I114 HydrophobicContact CG-CD1 4.02Å; L61-I114 HydrophobicContact CD1-CD1 3.78Å; K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.32Å; Y95-I114 HydrophobicContact CD2-CG2 4.41Å; Y95-I114 PolarHBondContact N-O 3.12Å; Y95-I114 PolarHBondContact O-N 3.22Å; Y95-I114 VanDerWaalsContact O-O 3.12Å; A97-I114 HydrophobicContact CB-CD1 3.5Å; A97-I114 VanDerWaalsContact CB-CD1 3.5Å
115	T	72.2	Confident	74.6	Confident	17 Å²	17	51.7 Å²	51.7	10%	0.104	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.3	169.7	46	0	0	0	0	109.3	E21 T22 V92 S93 K94	E21-T115 WeakPolarHBondContact CB-OG1 3.43Å; E21-T115 PolarHBondContact N-O 2.92Å; T22-T115 WeakPolarHBondContact CB-OG1 3.42Å; T22-T115 HydrophobicContact CG2-CG2 3.98Å; T22-T115 WeakPolarHBondContact CG2-OG1 3.45Å; T22-T115 PolarHBondContact N-OG1 2.86Å; T22-T115 VanDerWaalsContact N-OG1 3.12Å; T22-T115 PolarHBondContact OG1-N 2.73Å; T22-T115 PolarHBondContact OG1-OG1 2.99Å; V92-T115 HydrophobicContact CG1-CG2 4.43Å; S93-T115 WeakPolarHBondContact O-CA 3.27Å; K94-T115 HydrophobicContact CG-CG2 4.07Å
116	Y	72.5	Confident	75	Confident	5 Å²	5	49 Å²	49	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.8	-179.3	-172.1	-118.4	0	0	0	110.8	L20 V36 E39 M44 S93 R118	L20-Y116 HydrophobicContact CD2-CD2 3.2Å; L20-Y116 HydrophobicContact CD2-CE2 3.92Å; L20-Y116 HydrophobicContact CD2-CG 3.72Å; V36-Y116 HydrophobicContact CG2-CD2 4.37Å; V36-Y116 HydrophobicContact CG2-CE2 3.8Å; E39-Y116 PolarHBondContact OE1-OH 3.47Å; M44-Y116 HydrophobicContact CE-CE1 4.4Å; M44-Y116 HydrophobicContact SD-CD1 4.36Å; M44-Y116 HydrophobicContact SD-CE1 3.64Å; S93-Y116 PolarHBondContact N-O 3.19Å; S93-Y116 PolarHBondContact O-N 3.16Å; Y116-R118 HydrophobicContact CD1-CB 4.28Å; Y116-R118 HydrophobicContact CE1-CB 3.83Å; Y116-R118 HydrophobicContact CE1-CG 4.31Å
117	K	76.9	Confident	75.1	Confident	31 Å²	31	44.4 Å²	44.4	14%	0.135	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	110.6	171.6	180	-168.7	-176.2	-168	0	107.1	C90 V92 E147 H196 R199	C90-K117 WeakPolarHBondContact O-CE 2.98Å; V92-K117 HydrophobicContact CG2-CB 3.97Å; V92-K117 HydrophobicContact CG2-CD 4.25Å; V92-K117 HydrophobicContact CG2-CG 4.37Å; K117-E147 IonicContact NZ-OE1 3.65Å; K117-H196 PolarHBondContact NZ-CE1 3.37Å; K117-H196 PolarHBondContact NZ-NE2 3.06Å; K117-R199 VanDerWaalsContact CB-NH1 3.34Å; K117-R199 VanDerWaalsContact N-NH1 3.14Å; K117-R199 PolarHBondContact O-NH1 2.62Å
118	R	79.3	Confident	74.6	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.045	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-75.7	145.6	-177.9	-175.4	167.2	68.8	95.2	-9.1	110.7	G87 C90 Y116 E142	G87-R118 PolarHBondContact O-NE 3.12Å; G87-R118 PolarHBondContact O-NH2 3.42Å; C90-R118 PolarHBondContact N-O 2.93Å; Y116-R118 HydrophobicContact CD1-CB 4.28Å; Y116-R118 HydrophobicContact CE1-CB 3.83Å; Y116-R118 HydrophobicContact CE1-CG 4.31Å; R118-E142 IonicContact CZ-OE1 2.78Å; R118-E142 IonicContact CZ-OE2 2.73Å; R118-E142 IonicContact NH1-OE1 3.5Å; R118-E142 PolarHBondContact NH1-OE1 2.89Å; R118-E142 IonicContact NH1-OE2 3.26Å; R118-E142 PolarHBondContact NH1-OE2 3.07Å; R118-E142 IonicContact NH2-OE1 2.63Å; R118-E142 PolarHBondContact NH2-OE1 2.97Å; R118-E142 IonicContact NH2-OE2 2.93Å
119	V	78	Confident	73.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-86.8	134.7	173.6	-176.5	0	0	0	0	108.7	R121 N194 H196 R199 S201	V119-R121 PolarHBondContact O-N 3.04Å; V119-N194 HydrophobicContact CG1-CB 3.85Å; V119-H196 HydrophobicContact CB-CB 4.5Å; V119-H196 HydrophobicContact CG1-CB 4.03Å; V119-H196 HydrophobicContact CG2-CB 3.7Å; V119-R199 HydrophobicContact CG2-CB 3.61Å; V119-S201 WeakPolarHBondContact O-CB 3.46Å
120	P	82.5	Confident	72.5	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.026	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-55.9	130.7	178.6	-23.5	28.4	0	0	0	111.3	P89 C90 R143 S144 C146 N194 S201	P89-P120 HydrophobicContact CB-CB 4.12Å; P89-P120 HydrophobicContact CB-CG 3.97Å; C90-P120 WeakPolarHBondContact SG-CG 3.26Å; P120-R143 HydrophobicContact CB-CB 4.18Å; P120-R143 HydrophobicContact CG-CB 4.39Å; P120-S144 WeakPolarHBondContact CG-O 3.2Å; P120-C146 WeakPolarHBondContact CD-SG 3.17Å; P120-N194 PolarHBondContact O-ND2 3.45Å; P120-S201 PolarHBondContact O-OG 2.81Å
121	R	78.3	Confident	71.2	Confident	16 Å²	16	47 Å²	47	6%	0.06	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-78.3	152.3	-178.1	-64.2	175.7	168.8	-177.7	-17.5	112.2	Q40 T41 F43 A85 V119 R141 E142 T204	Q40-R121 PolarHBondContact O-NH2 2.91Å; T41-R121 PolarHBondContact O-NH1 2.77Å; F43-R121 PolarHBondContact O-NH2 3.42Å; A85-R121 VanDerWaalsContact CB-CZ 3.47Å; V119-R121 PolarHBondContact O-N 3.04Å; R121-R141 WeakPolarHBondContact O-CA 3.35Å; R121-E142 HydrophobicContact CB-CB 4.35Å; R121-E142 PolarHBondContact N-OE2 2.85Å; R121-E142 PolarHBondContact O-N 2.95Å; R121-T204 HydrophobicContact CB-CG2 3.83Å; R121-T204 VanDerWaalsContact CD-CG2 3.4Å; R121-T204 HydrophobicContact CG-CG2 4.24Å
122	I	77.2	Confident	69.9	Low	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.3	168.2	-65.6	-177	0	0	0	107.7	V125 W139 K140 T152 L192 N194 P203 T204	I122-V125 HydrophobicContact CG2-CG2 3.71Å; I122-W139 HydrophobicContact CG2-CB 3.57Å; I122-W139 HydrophobicContact CG2-CG 3.78Å; I122-K140 CarbonylContact C-O 3.57Å; I122-K140 WeakPolarHBondContact CA-O 3.33Å; I122-T152 HydrophobicContact CD1-CG2 3.83Å; I122-L192 HydrophobicContact CD1-CD1 4.13Å; I122-L192 HydrophobicContact CD1-CD2 4.03Å; I122-L192 HydrophobicContact CD1-CG 3.58Å; I122-L192 HydrophobicContact CG2-CD2 3.71Å; I122-L192 HydrophobicContact CG2-CG 4.31Å; I122-N194 WeakPolarHBondContact CD1-OD1 3.34Å; I122-N194 VanDerWaalsContact CG1-ND2 3.27Å; I122-N194 WeakPolarHBondContact CG1-ND2 3.33Å; I122-P203 HydrophobicContact CB-CB 4Å; I122-P203 HydrophobicContact CG2-CB 4.15Å; I122-P203 CarbonylContact O-C 3.51Å; I122-P203 WeakPolarHBondContact O-CA 3.3Å; I122-P203 WeakPolarHBondContact O-CB 3.48Å; I122-T204 PolarHBondContact O-N 2.75Å; I122-T204 PolarHBondContact O-OG1 3.22Å
123	E	77.4	Confident	69	Low	53 Å²	53	51 Å²	51	25%	0.248	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	162.8	-179	-40	-165.4	128.9	0	0	110.3	V125 K140 E142 T204	E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.96Å; E123-V125 VanDerWaalsContact O-N 3.17Å; E123-K140 HydrophobicContact CB-CB 4.26Å; E123-K140 PolarHBondContact N-O 2.7Å; E123-K140 WeakPolarHBondContact O-CA 2.99Å; E123-K140 PolarHBondContact O-N 2.68Å; E123-E142 HydrophobicContact CG-CB 4.37Å; E123-T204 WeakPolarHBondContact CB-OG1 3.29Å; E123-T204 VanDerWaalsContact CG-OG1 3.25Å; E123-T204 WeakPolarHBondContact CG-OG1 3.07Å
124	N	73	Confident	68.2	Low	48 Å²	48	50.1 Å²	50.1	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49	49.3	167.6	-65.7	-57.8	0	0	0	113.5	Q126 K140 V206	N124-Q126 PolarHBondContact O-N 3.33Å; N124-K140 HydrophobicContact CB-CB 4.29Å; N124-K140 HydrophobicContact CB-CD 4.13Å; N124-K140 HydrophobicContact CB-CG 4.14Å; N124-V206 VanDerWaalsContact OD1-CG2 3.25Å; N124-V206 WeakPolarHBondContact OD1-CG2 3.23Å
125	V	70.8	Confident	67.7	Low	57 Å²	57	52.3 Å²	52.3	35%	0.345	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124.5	176	-173.6	0	0	0	0	108.8	I122 E123 L137 M138 W139 L192 P203	I122-V125 HydrophobicContact CG2-CG2 3.71Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 2.96Å; E123-V125 VanDerWaalsContact O-N 3.17Å; V125-L137 HydrophobicContact CG1-CD1 3.6Å; V125-L137 HydrophobicContact CG1-CG 4.4Å; V125-M138 CarbonylContact C-O 3.57Å; V125-M138 WeakPolarHBondContact CA-O 3.43Å; V125-W139 HydrophobicContact CG2-CB 4.17Å; V125-L192 HydrophobicContact CG1-CD2 3.98Å; V125-L192 HydrophobicContact CG2-CD2 3.79Å; V125-P203 HydrophobicContact CG2-CB 4.25Å
126	Q	67.5	Low	67.6	Low	115 Å²	115	52.5 Å²	52.5	54%	0.537	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	-177.3	-68.8	-179.8	-3.9	0	0	110.1	N124 L137 M138	N124-Q126 PolarHBondContact O-N 3.33Å; Q126-L137 CarbonylContact O-C 3.42Å; Q126-L137 WeakPolarHBondContact O-CA 3.05Å; Q126-M138 HydrophobicContact CB-CB 4.47Å; Q126-M138 PolarHBondContact N-O 2.78Å; Q126-M138 PolarHBondContact O-N 2.72Å
127	I	62.7	Low	67.7	Low	77 Å²	77	52.4 Å²	52.4	40%	0.395	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110	172.2	-59.9	171.3	0	0	0	107.1	H136 L137 F190	I127-H136 CarbonylContact C-O 3.43Å; I127-H136 WeakPolarHBondContact CA-O 3.33Å; I127-L137 HydrophobicContact CD1-CD1 4.32Å; I127-L137 HydrophobicContact CG1-CD1 3.58Å; I127-F190 HydrophobicContact CD1-CD2 4.1Å; I127-F190 HydrophobicContact CD1-CE2 4.34Å
128	G	57.1	Low	67.8	Low	24 Å²	24	54 Å²	54	25%	0.247	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.3	177.4	0	0	0	0	0	112.3	H136	G128-H136 PolarHBondContact N-O 3.02Å; G128-H136 PolarHBondContact O-N 3.01Å
129	L	58.4	Low	67.9	Low	126 Å²	126	53.8 Å²	53.8	66%	0.66	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	103	164.7	-69.8	161.3	0	0	0	107.6	R135	L129-R135 HydrophobicContact CD2-CG 3.87Å
130	L	52.9	Low	68.2	Low	96 Å²	96	59.7 Å²	59.7	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-43.3	179.2	-87.3	161.8	0	0	0	111.4	Y134 H136 Y176	L130-Y134 PolarHBondContact N-O 2.8Å; L130-H136 HydrophobicContact CD1-CB 3.4Å; L130-H136 VanDerWaalsContact CD1-CB 3.4Å; L130-H136 HydrophobicContact CG-CB 4.12Å; L130-Y176 HydrophobicContact CD1-CD1 4.01Å; L130-Y176 HydrophobicContact CD1-CE1 3.47Å; L130-Y176 VanDerWaalsContact CD1-CE1 3.47Å
131	S	52.4	Low	68.2	Low	75 Å²	75	62.5 Å²	62.5	52%	0.524	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	128.9	177	48.9	0	0	0	0	106.1	Y134	S131-Y134 PolarHBondContact O-N 3.45Å
132	S	53.4	Low	68.5	Low	118 Å²	118	65 Å²	65	83%	0.825	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	128.9	178.2	-175	0	0	0	0	110.8
133	P	57.5	Low	69	Low	77 Å²	77	69.4 Å²	69.4	50%	0.5	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.6	6.7	10.9	37.9	-34.7	0	0	0	115.3	R135	P133-R135 PolarHBondContact O-N 3.12Å
134	Y	59.6	Low	69.5	Low	98 Å²	98	70.5 Å²	70.5	38%	0.384	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.6	-171.6	-59.2	-71.1	0	0	0	111.8	L130 S131 K178	L130-Y134 PolarHBondContact N-O 2.8Å; S131-Y134 PolarHBondContact O-N 3.45Å; Y134-K178 HydrophobicContact CD1-CG 4.09Å; Y134-K178 HydrophobicContact CE1-CD 3.91Å; Y134-K178 HydrophobicContact CE1-CG 3.76Å
135	R	62.4	Low	70.2	Confident	49 Å²	49	69.6 Å²	69.6	19%	0.185	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	149.2	165	-68.3	-176.1	179.8	-145.5	-3	109	L129 P133 V177	L129-R135 HydrophobicContact CD2-CG 3.87Å; P133-R135 PolarHBondContact O-N 3.12Å; R135-V177 HydrophobicContact CB-CB 4.4Å; R135-V177 PolarHBondContact N-O 2.93Å; R135-V177 PolarHBondContact O-N 2.84Å
136	H	69.3	Low	71	Confident	20 Å²	20	68.2 Å²	68.2	9%	0.093	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.8	-177.1	128.2	-92.1	0	0	0	108.8	I127 G128 L130 M138 E174 H175 Y176	I127-H136 CarbonylContact C-O 3.43Å; I127-H136 WeakPolarHBondContact CA-O 3.33Å; G128-H136 PolarHBondContact N-O 3.02Å; G128-H136 PolarHBondContact O-N 3.01Å; L130-H136 HydrophobicContact CD1-CB 3.4Å; L130-H136 VanDerWaalsContact CD1-CB 3.4Å; L130-H136 HydrophobicContact CG-CB 4.12Å; H136-M138 WeakPolarHBondContact CE1-CG 3.18Å; H136-M138 PolarHBondContact CE1-SD 2.75Å; H136-M138 WeakPolarHBondContact NE2-CG 3.46Å; H136-M138 PolarHBondContact NE2-SD 2.97Å; H136-E174 IonicContact NE2-OE2 3.54Å; H136-H175 WeakPolarHBondContact CA-O 3.48Å; H136-Y176 HydrophobicContact CB-CD1 4.26Å; H136-Y176 HydrophobicContact CB-CE1 4.42Å
137	L	75.7	Confident	72	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	174	-175.2	72.9	0	0	0	107.5	V125 Q126 I127 W139 I154 E174 H175 L192	V125-L137 HydrophobicContact CG1-CD1 3.6Å; V125-L137 HydrophobicContact CG1-CG 4.4Å; Q126-L137 CarbonylContact O-C 3.42Å; Q126-L137 WeakPolarHBondContact O-CA 3.05Å; I127-L137 HydrophobicContact CD1-CD1 4.32Å; I127-L137 HydrophobicContact CG1-CD1 3.58Å; L137-W139 HydrophobicContact CB-CZ3 4.48Å; L137-W139 HydrophobicContact CD2-CE3 4.13Å; L137-W139 HydrophobicContact CD2-CZ3 3.96Å; L137-W139 HydrophobicContact CG-CE3 4.04Å; L137-W139 HydrophobicContact CG-CZ3 4.11Å; L137-I154 HydrophobicContact CD2-CD1 3.72Å; L137-E174 CarbonylContact O-C 3.31Å; L137-E174 WeakPolarHBondContact O-CA 3.04Å; L137-H175 HydrophobicContact CB-CB 4.45Å; L137-H175 PolarHBondContact N-O 2.75Å; L137-H175 PolarHBondContact O-N 3.21Å; L137-L192 HydrophobicContact CD2-CD1 4.34Å; L137-L192 HydrophobicContact CD2-CD2 4.24Å
138	M	78.7	Confident	73.2	Confident	65 Å²	65	69.4 Å²	69.4	32%	0.32	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.2	169.1	-59.9	-172.9	95.2	0	0	110.3	V125 Q126 H136 V173 E174	V125-M138 CarbonylContact C-O 3.57Å; V125-M138 WeakPolarHBondContact CA-O 3.43Å; Q126-M138 HydrophobicContact CB-CB 4.47Å; Q126-M138 PolarHBondContact N-O 2.78Å; Q126-M138 PolarHBondContact O-N 2.72Å; H136-M138 WeakPolarHBondContact CE1-CG 3.18Å; H136-M138 PolarHBondContact CE1-SD 2.75Å; H136-M138 WeakPolarHBondContact NE2-CG 3.46Å; H136-M138 PolarHBondContact NE2-SD 2.97Å; M138-V173 CarbonylContact C-O 3.59Å; M138-V173 WeakPolarHBondContact CA-O 3.05Å; M138-E174 HydrophobicContact CG-CB 4.38Å
139	W	81.6	Confident	74.6	Confident	7 Å²	7	73.7 Å²	73.7	3%	0.027	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	167	166.7	56.8	96.4	0	0	0	110.6	I122 V125 L137 T152 I154 I168 K172 V173 H175 L192	I122-W139 HydrophobicContact CG2-CB 3.57Å; I122-W139 HydrophobicContact CG2-CG 3.78Å; V125-W139 HydrophobicContact CG2-CB 4.17Å; L137-W139 HydrophobicContact CB-CZ3 4.48Å; L137-W139 HydrophobicContact CD2-CE3 4.13Å; L137-W139 HydrophobicContact CD2-CZ3 3.96Å; L137-W139 HydrophobicContact CG-CE3 4.04Å; L137-W139 HydrophobicContact CG-CZ3 4.11Å; W139-T152 HydrophobicContact CH2-CG2 4.44Å; W139-T152 HydrophobicContact CZ2-CG2 3.76Å; W139-I154 HydrophobicContact CH2-CD1 4.26Å; W139-I154 HydrophobicContact CZ3-CD1 4.25Å; W139-I168 HydrophobicContact CH2-CD1 4.15Å; W139-K172 VanDerWaalsContact CZ2-O 3.31Å; W139-K172 WeakPolarHBondContact CZ2-O 3.44Å; W139-V173 PolarHBondContact N-O 3.48Å; W139-V173 WeakPolarHBondContact O-CB 3.31Å; W139-H175 HydrophobicContact CH2-CB 4.18Å; W139-H175 HydrophobicContact CZ3-CB 4.05Å; W139-L192 HydrophobicContact CB-CD2 4.02Å; W139-L192 HydrophobicContact CD2-CD1 4.47Å; W139-L192 HydrophobicContact CD2-CD2 3.78Å; W139-L192 HydrophobicContact CE3-CD1 4.36Å; W139-L192 HydrophobicContact CE3-CD2 3.79Å; W139-L192 HydrophobicContact CG-CD2 3.9Å; W139-L192 HydrophobicContact CZ3-CD1 4.4Å
140	K	84	Confident	76	Confident	125 Å²	125	68.1 Å²	68.1	54%	0.543	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	171	164.6	-64.9	-174.5	-174.7	173.6	0	109.2	I122 E123 N124	I122-K140 CarbonylContact C-O 3.57Å; I122-K140 WeakPolarHBondContact CA-O 3.33Å; E123-K140 HydrophobicContact CB-CB 4.26Å; E123-K140 PolarHBondContact N-O 2.7Å; E123-K140 WeakPolarHBondContact O-CA 2.99Å; E123-K140 PolarHBondContact O-N 2.68Å; N124-K140 HydrophobicContact CB-CB 4.29Å; N124-K140 HydrophobicContact CB-CD 4.13Å; N124-K140 HydrophobicContact CB-CG 4.14Å
141	R	83.6	Confident	77.5	Confident	64 Å²	64	64.4 Å²	64.4	24%	0.242	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142	173.5	-63.3	178.7	-72.7	159.7	-11.7	108.6	R121 R143 A145 S170	R121-R141 WeakPolarHBondContact O-CA 3.35Å; R141-R143 VanDerWaalsContact CB-O 3.27Å; R141-R143 WeakPolarHBondContact CB-O 3.39Å; R141-R143 PolarHBondContact O-N 2.79Å; R141-A145 VanDerWaalsContact NH1-N 3.16Å; R141-S170 PolarHBondContact NH1-O 3.43Å; R141-S170 PolarHBondContact NH2-O 2.78Å
142	E	83.7	Confident	79.1	Confident	68 Å²	68	60.8 Å²	60.8	32%	0.318	33%	0.328	S	S	.	.	S	Bend	trans	-58.1	-39.8	172.4	179.4	-175.9	-154.5	0	0	111.2	P89 R118 R121 E123	P89-E142 HydrophobicContact CG-CG 4.29Å; R118-E142 IonicContact CZ-OE1 2.78Å; R118-E142 IonicContact CZ-OE2 2.73Å; R118-E142 IonicContact NH1-OE1 3.5Å; R118-E142 PolarHBondContact NH1-OE1 2.89Å; R118-E142 IonicContact NH1-OE2 3.26Å; R118-E142 PolarHBondContact NH1-OE2 3.07Å; R118-E142 IonicContact NH2-OE1 2.63Å; R118-E142 PolarHBondContact NH2-OE1 2.97Å; R118-E142 IonicContact NH2-OE2 2.93Å; R121-E142 HydrophobicContact CB-CB 4.35Å; R121-E142 PolarHBondContact N-OE2 2.85Å; R121-E142 PolarHBondContact O-N 2.95Å; E123-E142 HydrophobicContact CG-CB 4.37Å
143	R	86.7	Confident	80.3	Confident	93 Å²	93	55.4 Å²	55.4	35%	0.351	29%	0.289	S	S	.	.	S	Bend	trans	-146.8	165.4	176	-166	174	-171.5	171.2	9.7	110.7	P89 E91 P120 R141	P89-R143 HydrophobicContact CG-CB 3.77Å; P89-R143 HydrophobicContact CG-CG 4.45Å; P89-R143 PolarHBondContact O-NH1 3.31Å; E91-R143 IonicContact OE1-CZ 3.9Å; E91-R143 IonicContact OE1-NH1 3.58Å; E91-R143 PolarHBondContact OE1-NH1 3.49Å; E91-R143 IonicContact OE1-NH2 3.07Å; E91-R143 PolarHBondContact OE1-NH2 2.84Å; P120-R143 HydrophobicContact CB-CB 4.18Å; P120-R143 HydrophobicContact CG-CB 4.39Å; R141-R143 VanDerWaalsContact CB-O 3.27Å; R141-R143 WeakPolarHBondContact CB-O 3.39Å; R141-R143 PolarHBondContact O-N 2.79Å
144	S	88.3	Confident	81.3	Confident	76 Å²	76	51.7 Å²	51.7	53%	0.531	27%	0.265	S	S	.	.			trans	-54.9	158.9	163.4	57.9	0	0	0	0	111.4	P120	P120-S144 WeakPolarHBondContact CG-O 3.2Å
145	A	88.7	Confident	81.9	Confident	28 Å²	28	47.4 Å²	47.4	23%	0.231	25%	0.249	C	C	.	.			trans	-51.5	149.7	170.7	0	0	0	0	0	111.7	R141 D150 S170	R141-A145 VanDerWaalsContact NH1-N 3.16Å; A145-D150 HydrophobicContact CB-CB 4.02Å; A145-S170 VanDerWaalsContact CB-OG 3.25Å; A145-S170 WeakPolarHBondContact CB-OG 3.13Å
146	C	86.6	Confident	82.4	Confident	29 Å²	29	46.6 Å²	46.6	20%	0.196	25%	0.246	C	C	.	.	S	Bend	trans	-74	-39.2	177.3	-55.6	0	0	0	0	110.9	C90 P120 D150	C90-C146 WeakPolarHBondContact CA-SG 3.18Å; C90-C146 HydrophobicContact CB-CB 3.64Å; C90-C146 WeakPolarHBondContact CB-SG 3.39Å; C90-C146 WeakPolarHBondContact SG-CA 3.5Å; C90-C146 WeakPolarHBondContact SG-CB 3.37Å; C90-C146 PolarHBondContact SG-N 3.01Å; C90-C146 VanDerWaalsContact SG-N 3.4Å; C90-C146 CovalentContact SG-SG 2.04Å; C90-C146 PolarHBondContact SG-SG 3.14Å; P120-C146 WeakPolarHBondContact CD-SG 3.17Å; C146-D150 WeakPolarHBondContact CA-OD2 3.33Å; C146-D150 WeakPolarHBondContact CB-OD2 3.32Å; C146-D150 PolarHBondContact N-OD2 2.9Å
147	E	89.2	Confident	82.4	Confident	86 Å²	86	46.2 Å²	46.2	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	-138.6	153.1	-179.5	-70.2	176.1	-156.4	0	0	111.1	K117 T149 D150 H196	K117-E147 IonicContact NZ-OE1 3.65Å; E147-T149 PolarHBondContact O-N 3.23Å; E147-T149 VanDerWaalsContact O-N 3.11Å; E147-D150 PolarHBondContact N-OD2 2.73Å; E147-D150 VanDerWaalsContact O-CB 3.26Å; E147-D150 WeakPolarHBondContact O-CB 3.38Å; E147-D150 VanDerWaalsContact O-CG 3.22Å; E147-D150 PolarHBondContact O-N 3.46Å; E147-H196 IonicContact OE1-CE1 2.88Å
148	P	87.2	Confident	82.1	Confident	130 Å²	130	48.1 Å²	48.1	84%	0.844	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.2	177.9	-24.1	34.4	0	0	0	114.4	D150	P148-D150 VanDerWaalsContact C-N 3.29Å
149	T	86.5	Confident	81.3	Confident	114 Å²	114	47.4 Å²	47.4	70%	0.699	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.3	177	47.4	0	0	0	0	113.4	E147	E147-T149 PolarHBondContact O-N 3.23Å; E147-T149 VanDerWaalsContact O-N 3.11Å
150	D	87.2	Confident	80.4	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.053	29%	0.286	C	S	.	.			trans	-65.5	151	176.7	-64.2	-12.7	0	0	0	110.4	A145 C146 E147 P148 S170 K195 H196	A145-D150 HydrophobicContact CB-CB 4.02Å; C146-D150 WeakPolarHBondContact CA-OD2 3.33Å; C146-D150 WeakPolarHBondContact CB-OD2 3.32Å; C146-D150 PolarHBondContact N-OD2 2.9Å; E147-D150 PolarHBondContact N-OD2 2.73Å; E147-D150 VanDerWaalsContact O-CB 3.26Å; E147-D150 WeakPolarHBondContact O-CB 3.38Å; E147-D150 VanDerWaalsContact O-CG 3.22Å; E147-D150 PolarHBondContact O-N 3.46Å; P148-D150 VanDerWaalsContact C-N 3.29Å; D150-S170 WeakPolarHBondContact O-CB 3.06Å; D150-S170 PolarHBondContact O-N 3.31Å; D150-S170 PolarHBondContact O-OG 2.9Å; D150-K195 WeakPolarHBondContact CA-O 3.23Å; D150-H196 IonicContact OD1-CE1 2.68Å; D150-H196 IonicContact OD1-CG 3.42Å; D150-H196 IonicContact OD1-ND1 2.86Å; D150-H196 PolarHBondContact OD1-ND1 3.42Å; D150-H196 IonicContact OD2-ND1 3.22Å; D150-H196 PolarHBondContact OD2-ND1 2.78Å
151	S	85.5	Confident	79.5	Confident	17 Å²	17	51.5 Å²	51.5	12%	0.119	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.2	-177.4	51.5	0	0	0	0	111.6	I168 N194 K195	S151-I168 CarbonylContact C-O 3.55Å; S151-I168 WeakPolarHBondContact CA-O 3.4Å; S151-I168 WeakPolarHBondContact CB-O 2.95Å; S151-N194 CarbonylContact O-C 3.6Å; S151-N194 WeakPolarHBondContact O-CA 3.47Å; S151-K195 PolarHBondContact N-O 2.63Å; S151-K195 PolarHBondContact O-N 3.27Å
152	T	85.1	Confident	78.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.4	165.6	-60.7	0	0	0	0	107.7	I122 W139 I168 L192 F193 N194	I122-T152 HydrophobicContact CD1-CG2 3.83Å; W139-T152 HydrophobicContact CH2-CG2 4.44Å; W139-T152 HydrophobicContact CZ2-CG2 3.76Å; T152-I168 PolarHBondContact N-O 2.75Å; T152-I168 PolarHBondContact O-N 3.34Å; T152-L192 HydrophobicContact CG2-CD1 3.33Å; T152-L192 HydrophobicContact CG2-CG 4.28Å; T152-F193 CarbonylContact C-O 3.47Å; T152-F193 WeakPolarHBondContact CA-O 3.26Å; T152-N194 PolarHBondContact OG1-OD1 3.39Å
153	I	79.2	Confident	77.7	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.7	178.8	-51.7	-58.3	0	0	0	108.7	F155 M165 F166 T167 L192 F193 K195 M246	I153-F155 HydrophobicContact CG2-CD2 4.14Å; I153-F155 HydrophobicContact CG2-CE2 3.71Å; I153-F155 HydrophobicContact CG2-CZ 4.37Å; I153-M165 HydrophobicContact CG2-CE 4.37Å; I153-M165 HydrophobicContact CG2-CG 3.76Å; I153-M165 HydrophobicContact CG2-SD 4.29Å; I153-F166 WeakPolarHBondContact CA-O 3.13Å; I153-T167 HydrophobicContact CD1-CG2 3.9Å; I153-L192 WeakPolarHBondContact O-CA 3.15Å; I153-F193 HydrophobicContact CB-CD2 4.01Å; I153-F193 HydrophobicContact CB-CE1 4.24Å; I153-F193 HydrophobicContact CB-CE2 3.65Å; I153-F193 HydrophobicContact CB-CG 4.48Å; I153-F193 HydrophobicContact CB-CZ 3.82Å; I153-F193 HydrophobicContact CG1-CD2 4.23Å; I153-F193 HydrophobicContact CG1-CE2 3.78Å; I153-F193 HydrophobicContact CG1-CZ 4.33Å; I153-F193 HydrophobicContact CG2-CE1 4.23Å; I153-F193 HydrophobicContact CG2-CE2 4.16Å; I153-F193 HydrophobicContact CG2-CZ 3.84Å; I153-F193 PolarHBondContact N-O 3.27Å; I153-F193 PolarHBondContact O-N 2.6Å; I153-K195 HydrophobicContact CG1-CB 4.06Å; I153-K195 HydrophobicContact CG1-CD 4.44Å; I153-M246 HydrophobicContact CB-CE 4.37Å; I153-M246 HydrophobicContact CG1-CE 4.16Å; I153-M246 HydrophobicContact CG2-CE 3.78Å
154	I	77.7	Confident	76.9	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.2	171.8	-49.1	-163.2	0	0	0	108.4	L137 W139 R156 M165 F166 I168 H175 F190 I191 L192	L137-I154 HydrophobicContact CD2-CD1 3.72Å; W139-I154 HydrophobicContact CH2-CD1 4.26Å; W139-I154 HydrophobicContact CZ3-CD1 4.25Å; I154-R156 HydrophobicContact CG2-CB 4.49Å; I154-M165 CarbonylContact O-C 3.55Å; I154-M165 WeakPolarHBondContact O-CA 3.15Å; I154-F166 HydrophobicContact CB-CB 4.22Å; I154-F166 PolarHBondContact N-O 2.96Å; I154-F166 PolarHBondContact O-N 2.73Å; I154-I168 HydrophobicContact CD1-CD1 3.3Å; I154-I168 HydrophobicContact CD1-CG1 4.45Å; I154-I168 HydrophobicContact CG1-CD1 3.74Å; I154-I168 HydrophobicContact CG1-CG1 4.42Å; I154-H175 HydrophobicContact CD1-CB 3.8Å; I154-F190 HydrophobicContact CG2-CD1 4.22Å; I154-I191 CarbonylContact C-O 3.48Å; I154-I191 VanDerWaalsContact CA-O 3.29Å; I154-I191 WeakPolarHBondContact CA-O 3.32Å; I154-L192 HydrophobicContact CD1-CD1 3.82Å; I154-L192 HydrophobicContact CG1-CD1 3.51Å
155	F	72.2	Confident	76.3	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.9	157.2	-68.4	-90.1	0	0	0	109.4	I153 L163 Q164 M165 F190 I191 F193 M246 F248	I153-F155 HydrophobicContact CG2-CD2 4.14Å; I153-F155 HydrophobicContact CG2-CE2 3.71Å; I153-F155 HydrophobicContact CG2-CZ 4.37Å; F155-L163 HydrophobicContact CB-CB 3.91Å; F155-L163 HydrophobicContact CB-CD1 3.84Å; F155-L163 HydrophobicContact CD1-CB 4.08Å; F155-L163 HydrophobicContact CG-CB 4.48Å; F155-Q164 CarbonylContact C-O 3.59Å; F155-Q164 VanDerWaalsContact CA-O 3.3Å; F155-Q164 WeakPolarHBondContact CA-O 3.45Å; F155-M165 HydrophobicContact CD1-CB 4.05Å; F155-M165 HydrophobicContact CE1-CB 3.72Å; F155-M165 HydrophobicContact CE1-CE 3.69Å; F155-M165 HydrophobicContact CE1-CG 4.06Å; F155-M165 HydrophobicContact CE2-CE 4.08Å; F155-M165 HydrophobicContact CZ-CB 4.23Å; F155-M165 HydrophobicContact CZ-CE 3.18Å; F155-M165 HydrophobicContact CZ-CG 4.06Å; F155-M165 HydrophobicContact CZ-SD 4.49Å; F155-F190 CarbonylContact O-C 3.54Å; F155-F190 WeakPolarHBondContact O-CA 3.36Å; F155-I191 HydrophobicContact CB-CB 4.04Å; F155-I191 HydrophobicContact CB-CD1 4.45Å; F155-I191 HydrophobicContact CB-CG1 4.33Å; F155-I191 HydrophobicContact CD2-CB 4.43Å; F155-I191 PolarHBondContact N-O 2.69Å; F155-I191 PolarHBondContact O-N 3.02Å; F155-F193 AromaticContact CD2-CE1 3.84Å; F155-F193 HydrophobicContact CD2-CE1 3.84Å; F155-F193 HydrophobicContact CD2-CZ 4.35Å; F155-F193 AromaticContact CE2-CE1 3.66Å; F155-F193 HydrophobicContact CE2-CE1 3.66Å; F155-F193 AromaticContact CE2-CZ 3.72Å; F155-F193 HydrophobicContact CE2-CZ 3.72Å; F155-M246 HydrophobicContact CE2-CB 4.48Å; F155-M246 HydrophobicContact CE2-CE 3.86Å; F155-M246 HydrophobicContact CZ-CB 3.84Å; F155-M246 HydrophobicContact CZ-CE 3.95Å; F155-F248 HydrophobicContact CD2-CE2 4.14Å; F155-F248 HydrophobicContact CD2-CZ 4.22Å; F155-F248 HydrophobicContact CE1-CE2 4.01Å; F155-F248 AromaticContact CE2-CE2 3.62Å; F155-F248 HydrophobicContact CE2-CE2 3.62Å; F155-F248 AromaticContact CE2-CZ 3.57Å; F155-F248 HydrophobicContact CE2-CZ 3.57Å; F155-F248 AromaticContact CZ-CE2 3.53Å; F155-F248 HydrophobicContact CZ-CE2 3.53Å; F155-F248 AromaticContact CZ-CZ 3.85Å; F155-F248 HydrophobicContact CZ-CZ 3.85Å
156	R	73.7	Confident	75.9	Confident	32 Å²	32	58 Å²	58	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.7	178.8	174.7	-165.8	175.3	-149.3	-4.3	109.9	I154 L163 Q164 F166 V177 K178 D179 E188 V189 F190	I154-R156 HydrophobicContact CG2-CB 4.49Å; R156-L163 CarbonylContact O-C 3.59Å; R156-L163 WeakPolarHBondContact O-CA 2.89Å; R156-Q164 PolarHBondContact N-O 3.01Å; R156-Q164 PolarHBondContact O-N 3.05Å; R156-F166 HydrophobicContact CB-CD2 4.32Å; R156-F166 HydrophobicContact CB-CE2 3.89Å; R156-V177 VanDerWaalsContact NE-CG1 3.33Å; R156-V177 VanDerWaalsContact NH1-CG1 3.28Å; R156-K178 PolarHBondContact NH1-O 2.82Å; R156-K178 VanDerWaalsContact NH1-O 3.12Å; R156-K178 PolarHBondContact NH2-O 3.01Å; R156-D179 PolarHBondContact NH2-O 2.86Å; R156-E188 IonicContact CZ-OE1 3.97Å; R156-E188 VanDerWaalsContact CZ-OE1 3.23Å; R156-E188 IonicContact NE-OE1 2.86Å; R156-E188 PolarHBondContact NE-OE1 2.94Å; R156-E188 IonicContact NH2-OE1 3.23Å; R156-E188 PolarHBondContact NH2-OE1 3.28Å; R156-V189 WeakPolarHBondContact CA-O 3.26Å; R156-F190 HydrophobicContact CB-CD1 4.12Å; R156-F190 HydrophobicContact CB-CE1 4.02Å; R156-F190 HydrophobicContact CG-CD1 4.12Å; R156-F190 HydrophobicContact CG-CE1 3.58Å; R156-F190 HydrophobicContact CG-CZ 4.06Å
157	G	68.5	Low	75.7	Confident	11 Å²	11	61 Å²	61	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-166.6	170.8	0	0	0	0	0	110	E188 V189	G157-E188 CarbonylContact O-C 3.59Å; G157-E188 VanDerWaalsContact O-CA 3.31Å; G157-E188 WeakPolarHBondContact O-CA 3.49Å; G157-E188 WeakPolarHBondContact O-CG 3.37Å; G157-V189 PolarHBondContact N-O 2.83Å; G157-V189 PolarHBondContact O-N 2.89Å
158	Y	69.5	Low	75.5	Confident	43 Å²	43	57.6 Å²	57.6	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147	176.6	-59.8	-69.8	0	0	0	110.7	T160 Q161 Q181 I186 E187 E188	Y158-T160 PolarHBondContact O-N 3.14Å; Y158-Q161 PolarHBondContact O-N 3.22Å; Y158-Q161 VanDerWaalsContact O-O 3.12Å; Y158-Q181 WeakPolarHBondContact CE1-O 2.81Å; Y158-Q181 PolarHBondContact OH-O 2.84Å; Y158-I186 VanDerWaalsContact CB-CG2 3.5Å; Y158-I186 HydrophobicContact CD1-CB 4.48Å; Y158-I186 HydrophobicContact CD1-CG2 3.4Å; Y158-I186 VanDerWaalsContact CD1-CG2 3.4Å; Y158-I186 HydrophobicContact CE1-CG2 4.27Å; Y158-I186 HydrophobicContact CG-CG2 3.57Å; Y158-E187 CarbonylContact C-O 3.5Å; Y158-E187 WeakPolarHBondContact CA-O 3.39Å; Y158-E188 HydrophobicContact CD1-CB 4.17Å; Y158-E188 HydrophobicContact CE1-CB 4.21Å
159	S	61.6	Low	75.5	Confident	50 Å²	50	54.2 Å²	54.2	35%	0.35	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.6	-176.9	60.6	0	0	0	0	114.2	E187	S159-E187 PolarHBondContact N-O 2.92Å
160	T	63.3	Low	75.4	Confident	108 Å²	108	49.1 Å²	49.1	66%	0.663	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	0	177.8	57.3	0	0	0	0	113.7	Y158	Y158-T160 PolarHBondContact O-N 3.14Å
161	Q	64.6	Low	75.4	Confident	111 Å²	111	53.7 Å²	53.7	52%	0.519	28%	0.284	S	S	.	.	S	Bend	trans	-127	168.2	-172.5	-59.5	-177.3	21.7	0	0	111.8	Y158 L163	Y158-Q161 PolarHBondContact O-N 3.22Å; Y158-Q161 VanDerWaalsContact O-O 3.12Å; Q161-L163 PolarHBondContact O-N 3.47Å
162	Q	62.7	Low	75.6	Confident	185 Å²	185	58.5 Å²	58.5	86%	0.864	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-67.1	133.7	172.3	-68.7	-179.9	-8.3	0	0	110.2
163	L	67.7	Low	75.7	Confident	53 Å²	53	61 Å²	61	28%	0.277	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-81.6	134.8	176.6	-50.2	-178.3	0	0	0	110.1	F155 R156 Q161 V189 I191	F155-L163 HydrophobicContact CB-CB 3.91Å; F155-L163 HydrophobicContact CB-CD1 3.84Å; F155-L163 HydrophobicContact CD1-CB 4.08Å; F155-L163 HydrophobicContact CG-CB 4.48Å; R156-L163 CarbonylContact O-C 3.59Å; R156-L163 WeakPolarHBondContact O-CA 2.89Å; Q161-L163 PolarHBondContact O-N 3.47Å; L163-V189 HydrophobicContact CD1-CG1 4.13Å; L163-V189 HydrophobicContact CD2-CB 4.23Å; L163-I191 HydrophobicContact CD1-CD1 3.79Å; L163-I191 HydrophobicContact CD1-CG1 4.31Å
164	Q	70.3	Confident	76	Confident	123 Å²	123	64.1 Å²	64.1	58%	0.575	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.3	169.8	-65.3	-178.8	-6.8	0	0	109.8	F155 R156 F166	F155-Q164 CarbonylContact C-O 3.59Å; F155-Q164 VanDerWaalsContact CA-O 3.3Å; F155-Q164 WeakPolarHBondContact CA-O 3.45Å; R156-Q164 PolarHBondContact N-O 3.01Å; R156-Q164 PolarHBondContact O-N 3.05Å; Q164-F166 HydrophobicContact CB-CE2 3.64Å; Q164-F166 HydrophobicContact CB-CZ 3.96Å
165	M	76	Confident	76.2	Confident	45 Å²	45	65.9 Å²	65.9	22%	0.222	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.6	174.3	-176.8	-164.2	-80	0	0	110.3	I153 I154 F155 F245 M246	I153-M165 HydrophobicContact CG2-CE 4.37Å; I153-M165 HydrophobicContact CG2-CG 3.76Å; I153-M165 HydrophobicContact CG2-SD 4.29Å; I154-M165 CarbonylContact O-C 3.55Å; I154-M165 WeakPolarHBondContact O-CA 3.15Å; F155-M165 HydrophobicContact CD1-CB 4.05Å; F155-M165 HydrophobicContact CE1-CB 3.72Å; F155-M165 HydrophobicContact CE1-CE 3.69Å; F155-M165 HydrophobicContact CE1-CG 4.06Å; F155-M165 HydrophobicContact CE2-CE 4.08Å; F155-M165 HydrophobicContact CZ-CB 4.23Å; F155-M165 HydrophobicContact CZ-CE 3.18Å; F155-M165 HydrophobicContact CZ-CG 4.06Å; F155-M165 HydrophobicContact CZ-SD 4.49Å; M165-F245 VanDerWaalsContact CE-C 3.5Å; M165-F245 VanDerWaalsContact CE-CA 3.46Å; M165-M246 HydrophobicContact CE-CB 4.31Å; M165-M246 HydrophobicContact CE-CE 3.52Å; M165-M246 HydrophobicContact CE-CG 4.24Å; M165-M246 VanDerWaalsContact CE-N 3.26Å
166	F	78.9	Confident	76.6	Confident	60 Å²	60	71.3 Å²	71.3	26%	0.263	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.9	169.4	-55.9	-93.5	0	0	0	108.4	I153 I154 R156 Q164	I153-F166 WeakPolarHBondContact CA-O 3.13Å; I154-F166 HydrophobicContact CB-CB 4.22Å; I154-F166 PolarHBondContact N-O 2.96Å; I154-F166 PolarHBondContact O-N 2.73Å; R156-F166 HydrophobicContact CB-CD2 4.32Å; R156-F166 HydrophobicContact CB-CE2 3.89Å; Q164-F166 HydrophobicContact CB-CE2 3.64Å; Q164-F166 HydrophobicContact CB-CZ 3.96Å
167	T	82.8	Confident	76.5	Confident	91 Å²	91	70 Å²	70	56%	0.558	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.9	171.4	-59.2	0	0	0	0	108.1	I153	I153-T167 HydrophobicContact CD1-CG2 3.9Å
168	I	84.5	Confident	76.5	Confident	14 Å²	14	75.4 Å²	75.4	7%	0.072	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.9	-178.3	-52.1	-175.5	0	0	0	107.5	W139 S151 T152 I154 K172 H175	W139-I168 HydrophobicContact CH2-CD1 4.15Å; S151-I168 CarbonylContact C-O 3.55Å; S151-I168 WeakPolarHBondContact CA-O 3.4Å; S151-I168 WeakPolarHBondContact CB-O 2.95Å; T152-I168 PolarHBondContact N-O 2.75Å; T152-I168 PolarHBondContact O-N 3.34Å; I154-I168 HydrophobicContact CD1-CD1 3.3Å; I154-I168 HydrophobicContact CD1-CG1 4.45Å; I154-I168 HydrophobicContact CG1-CD1 3.74Å; I154-I168 HydrophobicContact CG1-CG1 4.42Å; I168-K172 HydrophobicContact CG2-CB 3.71Å; I168-K172 HydrophobicContact CG2-CD 3.7Å; I168-K172 HydrophobicContact CG2-CG 4.2Å; I168-H175 HydrophobicContact CD1-CB 3.72Å; I168-H175 WeakPolarHBondContact CD1-ND1 3.38Å
169	S	88	Confident	76.2	Confident	59 Å²	59	79.6 Å²	79.6	41%	0.413	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	140.6	173.1	-173.8	0	0	0	0	110.1	D171 K172	S169-D171 WeakPolarHBondContact CB-OD1 3.19Å; S169-D171 PolarHBondContact O-N 3.27Å; S169-D171 VanDerWaalsContact O-N 3.15Å; S169-D171 PolarHBondContact OG-OD1 3.37Å; S169-K172 PolarHBondContact O-N 2.86Å; S169-K172 VanDerWaalsContact O-N 3.11Å
170	S	85.5	Confident	76	Confident	7 Å²	7	79.1 Å²	79.1	5%	0.049	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.5	-174.8	56.7	0	0	0	0	114.3	R141 A145 D150	R141-S170 PolarHBondContact NH1-O 3.43Å; R141-S170 PolarHBondContact NH2-O 2.78Å; A145-S170 VanDerWaalsContact CB-OG 3.25Å; A145-S170 WeakPolarHBondContact CB-OG 3.13Å; D150-S170 WeakPolarHBondContact O-CB 3.06Å; D150-S170 PolarHBondContact O-N 3.31Å; D150-S170 PolarHBondContact O-OG 2.9Å
171	D	86.2	Confident	75.6	Confident	107 Å²	107	80.2 Å²	80.2	57%	0.572	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.7	171.2	67.8	-27.2	0	0	0	112.4	S169	S169-D171 WeakPolarHBondContact CB-OD1 3.19Å; S169-D171 PolarHBondContact O-N 3.27Å; S169-D171 VanDerWaalsContact O-N 3.15Å; S169-D171 PolarHBondContact OG-OD1 3.37Å
172	K	89.6	Confident	75.1	Confident	117 Å²	117	78.7 Å²	78.7	51%	0.509	39%	0.391	S	S	.	.			trans	-79.8	143.2	179	-63.5	-175.2	178.5	-177.4	0	111.6	W139 I168 S169	W139-K172 VanDerWaalsContact CZ2-O 3.31Å; W139-K172 WeakPolarHBondContact CZ2-O 3.44Å; I168-K172 HydrophobicContact CG2-CB 3.71Å; I168-K172 HydrophobicContact CG2-CD 3.7Å; I168-K172 HydrophobicContact CG2-CG 4.2Å; S169-K172 PolarHBondContact O-N 2.86Å; S169-K172 VanDerWaalsContact O-N 3.11Å
173	V	87.7	Confident	74.7	Confident	53 Å²	53	75.4 Å²	75.4	32%	0.321	38%	0.376	S	S	.	.			trans	-124.8	10.9	178.3	-66.8	0	0	0	0	112.2	M138 W139	M138-V173 CarbonylContact C-O 3.59Å; M138-V173 WeakPolarHBondContact CA-O 3.05Å; W139-V173 PolarHBondContact N-O 3.48Å; W139-V173 WeakPolarHBondContact O-CB 3.31Å
174	E	85.4	Confident	74	Confident	69 Å²	69	82.1 Å²	82.1	32%	0.322	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.1	178.5	62.7	178.8	-142.4	0	0	112.1	H136 L137 M138 Y176	H136-E174 IonicContact NE2-OE2 3.54Å; L137-E174 CarbonylContact O-C 3.31Å; L137-E174 WeakPolarHBondContact O-CA 3.04Å; M138-E174 HydrophobicContact CG-CB 4.38Å; E174-Y176 HydrophobicContact CG-CE2 4.29Å; E174-Y176 WeakPolarHBondContact OE1-CE2 3.3Å; E174-Y176 PolarHBondContact OE1-OH 3.39Å
175	H	81.7	Confident	73.4	Confident	38 Å²	38	79.5 Å²	79.5	18%	0.176	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.2	176.6	-176.2	66.3	0	0	0	111.1	H136 L137 W139 I154 I168	H136-H175 WeakPolarHBondContact CA-O 3.48Å; L137-H175 HydrophobicContact CB-CB 4.45Å; L137-H175 PolarHBondContact N-O 2.75Å; L137-H175 PolarHBondContact O-N 3.21Å; W139-H175 HydrophobicContact CH2-CB 4.18Å; W139-H175 HydrophobicContact CZ3-CB 4.05Å; I154-H175 HydrophobicContact CD1-CB 3.8Å; I168-H175 HydrophobicContact CD1-CB 3.72Å; I168-H175 WeakPolarHBondContact CD1-ND1 3.38Å
176	Y	81.1	Confident	72.5	Confident	121 Å²	121	79.1 Å²	79.1	48%	0.475	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	179.6	-63.6	-91.5	0	0	0	110.7	L130 H136 E174	L130-Y176 HydrophobicContact CD1-CD1 4.01Å; L130-Y176 HydrophobicContact CD1-CE1 3.47Å; L130-Y176 VanDerWaalsContact CD1-CE1 3.47Å; H136-Y176 HydrophobicContact CB-CD1 4.26Å; H136-Y176 HydrophobicContact CB-CE1 4.42Å; E174-Y176 HydrophobicContact CG-CE2 4.29Å; E174-Y176 WeakPolarHBondContact OE1-CE2 3.3Å; E174-Y176 PolarHBondContact OE1-OH 3.39Å
177	V	70.5	Confident	71.5	Confident	4 Å²	4	78.4 Å²	78.4	2%	0.024	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.3	-174.4	-172.1	0	0	0	0	108.9	R135 R156 F190	R135-V177 HydrophobicContact CB-CB 4.4Å; R135-V177 PolarHBondContact N-O 2.93Å; R135-V177 PolarHBondContact O-N 2.84Å; R156-V177 VanDerWaalsContact NE-CG1 3.33Å; R156-V177 VanDerWaalsContact NH1-CG1 3.28Å; V177-F190 HydrophobicContact CG2-CE1 4.22Å; V177-F190 HydrophobicContact CG2-CZ 4.44Å
178	K	69.2	Low	70.6	Confident	126 Å²	126	74.4 Å²	74.4	55%	0.548	38%	0.382	S	S	.	.			trans	-92.8	156.2	171.1	-57.3	-158.8	177.6	-178.4	0	110.6	Y134 R156	Y134-K178 HydrophobicContact CD1-CG 4.09Å; Y134-K178 HydrophobicContact CE1-CD 3.91Å; Y134-K178 HydrophobicContact CE1-CG 3.76Å; R156-K178 PolarHBondContact NH1-O 2.82Å; R156-K178 VanDerWaalsContact NH1-O 3.12Å; R156-K178 PolarHBondContact NH2-O 3.01Å
179	D	62.2	Low	69.8	Low	131 Å²	131	74.7 Å²	74.7	70%	0.701	39%	0.385	S	S	*	.			trans	59.2	76.1	169.1	-50.9	-39.1	0	0	0	113.1	R156	R156-D179 PolarHBondContact NH2-O 2.86Å
180	F	58.2	Low	68.8	Low	40 Å²	40	72.7 Å²	72.7	18%	0.175	37%	0.369	C	S	.	.			trans	-101.1	114.5	177.1	-176.5	-98.4	0	0	0	109.6	T182 E188 M266	F180-T182 HydrophobicContact CD1-CG2 4.32Å; F180-T182 HydrophobicContact CE1-CG2 3.19Å; F180-T182 HydrophobicContact CE2-CG2 4.45Å; F180-T182 HydrophobicContact CZ-CG2 3.3Å; F180-E188 WeakPolarHBondContact CD2-OE2 3.26Å; F180-E188 HydrophobicContact CE2-CB 4.2Å; F180-E188 WeakPolarHBondContact CE2-OE2 3.11Å; F180-M266 HydrophobicContact CD2-CE 4.38Å; F180-M266 HydrophobicContact CE2-CE 3.26Å; F180-M266 HydrophobicContact CZ-CE 3.46Å; F180-M266 VanDerWaalsContact CZ-CE 3.46Å
181	Q	56	Low	68.2	Low	131 Å²	131	73 Å²	73	61%	0.612	37%	0.369	S	S	*	.			trans	-112.7	108.8	171.7	-66.9	-161.5	-13.9	0	0	109.1	Y158 E183	Y158-Q181 WeakPolarHBondContact CE1-O 2.81Å; Y158-Q181 PolarHBondContact OH-O 2.84Å; Q181-E183 PolarHBondContact O-N 2.95Å
182	T	54.2	Low	67.6	Low	79 Å²	79	68.3 Å²	68.3	49%	0.485	35%	0.345	S	S	.	.			trans	-83.8	102.9	163	34.4	0	0	0	0	108.6	F180	F180-T182 HydrophobicContact CD1-CG2 4.32Å; F180-T182 HydrophobicContact CE1-CG2 3.19Å; F180-T182 HydrophobicContact CE2-CG2 4.45Å; F180-T182 HydrophobicContact CZ-CG2 3.3Å
183	E	52.4	Low	66.9	Low	116 Å²	116	63 Å²	63	54%	0.542	32%	0.321	S	S	.	.			trans	-83.4	140.2	156	-68.4	-173.4	172.6	0	0	108.4	Q181 G185 I186	Q181-E183 PolarHBondContact O-N 2.95Å; E183-G185 PolarHBondContact O-N 2.8Å; E183-I186 HydrophobicContact CB-CB 4.36Å; E183-I186 HydrophobicContact CB-CD1 3.97Å; E183-I186 HydrophobicContact CB-CG1 4.12Å; E183-I186 PolarHBondContact O-N 2.83Å; E183-I186 VanDerWaalsContact O-N 3.14Å; E183-I186 VanDerWaalsContact OE2-CD1 3.23Å; E183-I186 WeakPolarHBondContact OE2-CD1 2.99Å
184	E	54.7	Low	66.6	Low	194 Å²	194	60.9 Å²	60.9	91%	0.907	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.5	175.2	-85.9	-175.4	153.2	0	0	110.4	I186	E184-I186 VanDerWaalsContact C-N 3.33Å
185	G	56.1	Low	66.2	Low	68 Å²	68	59.8 Å²	59.8	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-0.9	179.5	0	0	0	0	0	115.5	E183	E183-G185 PolarHBondContact O-N 2.8Å
186	I	57.5	Low	65.9	Low	37 Å²	37	58.9 Å²	58.9	19%	0.19	30%	0.298	C	S	.	.			trans	-108.4	110.9	174.5	-51.7	-170.6	0	0	0	109.7	Y158 E183 E184	Y158-I186 VanDerWaalsContact CB-CG2 3.5Å; Y158-I186 HydrophobicContact CD1-CB 4.48Å; Y158-I186 HydrophobicContact CD1-CG2 3.4Å; Y158-I186 VanDerWaalsContact CD1-CG2 3.4Å; Y158-I186 HydrophobicContact CE1-CG2 4.27Å; Y158-I186 HydrophobicContact CG-CG2 3.57Å; E183-I186 HydrophobicContact CB-CB 4.36Å; E183-I186 HydrophobicContact CB-CD1 3.97Å; E183-I186 HydrophobicContact CB-CG1 4.12Å; E183-I186 PolarHBondContact O-N 2.83Å; E183-I186 VanDerWaalsContact O-N 3.14Å; E183-I186 VanDerWaalsContact OE2-CD1 3.23Å; E183-I186 WeakPolarHBondContact OE2-CD1 2.99Å; E184-I186 VanDerWaalsContact C-N 3.33Å
187	E	59.2	Low	65.5	Low	45 Å²	45	55.8 Å²	55.8	21%	0.21	30%	0.304	C	S	.	.			trans	-88.5	129.4	179.8	-62.8	-176.4	159.1	0	0	110.7	Y158 S159	Y158-E187 CarbonylContact C-O 3.5Å; Y158-E187 WeakPolarHBondContact CA-O 3.39Å; S159-E187 PolarHBondContact N-O 2.92Å
188	E	62.9	Low	65.2	Low	6 Å²	6	60.5 Å²	60.5	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.9	167.7	-179.3	-180	-122.2	0	0	109.4	R156 G157 Y158 F180 F190 M266	R156-E188 IonicContact CZ-OE1 3.97Å; R156-E188 VanDerWaalsContact CZ-OE1 3.23Å; R156-E188 IonicContact NE-OE1 2.86Å; R156-E188 PolarHBondContact NE-OE1 2.94Å; R156-E188 IonicContact NH2-OE1 3.23Å; R156-E188 PolarHBondContact NH2-OE1 3.28Å; G157-E188 CarbonylContact O-C 3.59Å; G157-E188 VanDerWaalsContact O-CA 3.31Å; G157-E188 WeakPolarHBondContact O-CA 3.49Å; G157-E188 WeakPolarHBondContact O-CG 3.37Å; Y158-E188 HydrophobicContact CD1-CB 4.17Å; Y158-E188 HydrophobicContact CE1-CB 4.21Å; F180-E188 WeakPolarHBondContact CD2-OE2 3.26Å; F180-E188 HydrophobicContact CE2-CB 4.2Å; F180-E188 WeakPolarHBondContact CE2-OE2 3.11Å; E188-F190 VanDerWaalsContact CD-CZ 3.5Å; E188-F190 HydrophobicContact CG-CD2 4.39Å; E188-F190 HydrophobicContact CG-CE2 3.76Å; E188-F190 HydrophobicContact CG-CZ 4.08Å; E188-F190 WeakPolarHBondContact OE2-CE2 3.38Å; E188-F190 WeakPolarHBondContact OE2-CZ 3.11Å; E188-M266 HydrophobicContact CB-CE 4.04Å; E188-M266 HydrophobicContact CB-SD 3.52Å; E188-M266 VanDerWaalsContact CB-SD 3.52Å; E188-M266 HydrophobicContact CG-SD 3.88Å; E188-M266 WeakPolarHBondContact OE2-CE 3.18Å
189	V	67	Low	65.1	Low	20 Å²	20	55.9 Å²	55.9	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	-173.7	172.5	0	0	0	0	108.2	R156 G157 L163 I191 W263	R156-V189 WeakPolarHBondContact CA-O 3.26Å; G157-V189 PolarHBondContact N-O 2.83Å; G157-V189 PolarHBondContact O-N 2.89Å; L163-V189 HydrophobicContact CD1-CG1 4.13Å; L163-V189 HydrophobicContact CD2-CB 4.23Å; V189-I191 HydrophobicContact CG1-CD1 4.44Å; V189-I191 HydrophobicContact CG1-CG1 3.99Å; V189-W263 HydrophobicContact CG1-CB 4.49Å
190	F	68.1	Low	65.4	Low	18 Å²	18	51.4 Å²	51.4	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.3	170.2	-67.8	-86.9	0	0	0	110.3	I127 I154 F155 R156 V177 E188 S264 M266	I127-F190 HydrophobicContact CD1-CD2 4.1Å; I127-F190 HydrophobicContact CD1-CE2 4.34Å; I154-F190 HydrophobicContact CG2-CD1 4.22Å; F155-F190 CarbonylContact O-C 3.54Å; F155-F190 WeakPolarHBondContact O-CA 3.36Å; R156-F190 HydrophobicContact CB-CD1 4.12Å; R156-F190 HydrophobicContact CB-CE1 4.02Å; R156-F190 HydrophobicContact CG-CD1 4.12Å; R156-F190 HydrophobicContact CG-CE1 3.58Å; R156-F190 HydrophobicContact CG-CZ 4.06Å; V177-F190 HydrophobicContact CG2-CE1 4.22Å; V177-F190 HydrophobicContact CG2-CZ 4.44Å; E188-F190 VanDerWaalsContact CD-CZ 3.5Å; E188-F190 HydrophobicContact CG-CD2 4.39Å; E188-F190 HydrophobicContact CG-CE2 3.76Å; E188-F190 HydrophobicContact CG-CZ 4.08Å; E188-F190 WeakPolarHBondContact OE2-CE2 3.38Å; E188-F190 WeakPolarHBondContact OE2-CZ 3.11Å; F190-S264 PolarHBondContact N-OG 3.22Å; F190-M266 HydrophobicContact CD2-SD 3.73Å; F190-M266 HydrophobicContact CE2-CE 4.23Å; F190-M266 HydrophobicContact CE2-SD 3.42Å; F190-M266 WeakPolarHBondContact CE2-SD 3.45Å
191	I	72	Confident	65.9	Low	12 Å²	12	49.5 Å²	49.5	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.9	171.2	-45.9	178.3	0	0	0	107.6	I154 F155 L163 V189 F193 F236 W263	I154-I191 CarbonylContact C-O 3.48Å; I154-I191 VanDerWaalsContact CA-O 3.29Å; I154-I191 WeakPolarHBondContact CA-O 3.32Å; F155-I191 HydrophobicContact CB-CB 4.04Å; F155-I191 HydrophobicContact CB-CD1 4.45Å; F155-I191 HydrophobicContact CB-CG1 4.33Å; F155-I191 HydrophobicContact CD2-CB 4.43Å; F155-I191 PolarHBondContact N-O 2.69Å; F155-I191 PolarHBondContact O-N 3.02Å; L163-I191 HydrophobicContact CD1-CD1 3.79Å; L163-I191 HydrophobicContact CD1-CG1 4.31Å; V189-I191 HydrophobicContact CG1-CD1 4.44Å; V189-I191 HydrophobicContact CG1-CG1 3.99Å; I191-F193 HydrophobicContact CG2-CD1 4.15Å; I191-F193 HydrophobicContact CG2-CE1 4.32Å; I191-F236 HydrophobicContact CD1-CE2 4.21Å; I191-F236 HydrophobicContact CD1-CZ 4.28Å; I191-W263 HydrophobicContact CG1-CB 4.2Å
192	L	74.7	Confident	66.3	Low	10 Å²	10	43.5 Å²	43.5	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.4	-173.6	-178.9	70.4	0	0	0	109.1	I122 V125 L137 W139 T152 I153 I154 P203	I122-L192 HydrophobicContact CD1-CD1 4.13Å; I122-L192 HydrophobicContact CD1-CD2 4.03Å; I122-L192 HydrophobicContact CD1-CG 3.58Å; I122-L192 HydrophobicContact CG2-CD2 3.71Å; I122-L192 HydrophobicContact CG2-CG 4.31Å; V125-L192 HydrophobicContact CG1-CD2 3.98Å; V125-L192 HydrophobicContact CG2-CD2 3.79Å; L137-L192 HydrophobicContact CD2-CD1 4.34Å; L137-L192 HydrophobicContact CD2-CD2 4.24Å; W139-L192 HydrophobicContact CB-CD2 4.02Å; W139-L192 HydrophobicContact CD2-CD1 4.47Å; W139-L192 HydrophobicContact CD2-CD2 3.78Å; W139-L192 HydrophobicContact CE3-CD1 4.36Å; W139-L192 HydrophobicContact CE3-CD2 3.79Å; W139-L192 HydrophobicContact CG-CD2 3.9Å; W139-L192 HydrophobicContact CZ3-CD1 4.4Å; T152-L192 HydrophobicContact CG2-CD1 3.33Å; T152-L192 HydrophobicContact CG2-CG 4.28Å; I153-L192 WeakPolarHBondContact O-CA 3.15Å; I154-L192 HydrophobicContact CD1-CD1 3.82Å; I154-L192 HydrophobicContact CG1-CD1 3.51Å; L192-P203 VanDerWaalsContact O-CD 3.24Å; L192-P203 WeakPolarHBondContact O-CD 3.37Å
193	F	75	Confident	66.8	Low	4 Å²	4	40.4 Å²	40.4	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	158.9	174.8	54.6	-92.2	0	0	0	111.9	T152 I153 F155 I191 F200 S201 L202 M246 F248	T152-F193 CarbonylContact C-O 3.47Å; T152-F193 WeakPolarHBondContact CA-O 3.26Å; I153-F193 HydrophobicContact CB-CD2 4.01Å; I153-F193 HydrophobicContact CB-CE1 4.24Å; I153-F193 HydrophobicContact CB-CE2 3.65Å; I153-F193 HydrophobicContact CB-CG 4.48Å; I153-F193 HydrophobicContact CB-CZ 3.82Å; I153-F193 HydrophobicContact CG1-CD2 4.23Å; I153-F193 HydrophobicContact CG1-CE2 3.78Å; I153-F193 HydrophobicContact CG1-CZ 4.33Å; I153-F193 HydrophobicContact CG2-CE1 4.23Å; I153-F193 HydrophobicContact CG2-CE2 4.16Å; I153-F193 HydrophobicContact CG2-CZ 3.84Å; I153-F193 PolarHBondContact N-O 3.27Å; I153-F193 PolarHBondContact O-N 2.6Å; F155-F193 AromaticContact CD2-CE1 3.84Å; F155-F193 HydrophobicContact CD2-CE1 3.84Å; F155-F193 HydrophobicContact CD2-CZ 4.35Å; F155-F193 AromaticContact CE2-CE1 3.66Å; F155-F193 HydrophobicContact CE2-CE1 3.66Å; F155-F193 AromaticContact CE2-CZ 3.72Å; F155-F193 HydrophobicContact CE2-CZ 3.72Å; I191-F193 HydrophobicContact CG2-CD1 4.15Å; I191-F193 HydrophobicContact CG2-CE1 4.32Å; F193-F200 HydrophobicContact CD2-CB 3.87Å; F193-F200 HydrophobicContact CE2-CB 4.24Å; F193-S201 WeakPolarHBondContact CA-O 2.98Å; F193-S201 WeakPolarHBondContact CB-O 3.15Å; F193-L202 HydrophobicContact CB-CD2 4.18Å; F193-M246 HydrophobicContact CE1-CE 4.47Å; F193-M246 HydrophobicContact CE2-CE 3.6Å; F193-M246 HydrophobicContact CE2-SD 3.95Å; F193-M246 HydrophobicContact CZ-CE 3.27Å; F193-M246 HydrophobicContact CZ-SD 3.62Å; F193-F248 HydrophobicContact CE1-CZ 4.35Å; F193-F248 HydrophobicContact CZ-CZ 4.38Å
194	N	79.5	Confident	67	Low	10 Å²	10	36 Å²	36	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147	170.9	-69.5	-34.4	0	0	0	110.2	V119 P120 I122 S151 T152 F200 S201	V119-N194 HydrophobicContact CG1-CB 3.85Å; P120-N194 PolarHBondContact O-ND2 3.45Å; I122-N194 WeakPolarHBondContact CD1-OD1 3.34Å; I122-N194 VanDerWaalsContact CG1-ND2 3.27Å; I122-N194 WeakPolarHBondContact CG1-ND2 3.33Å; S151-N194 CarbonylContact O-C 3.6Å; S151-N194 WeakPolarHBondContact O-CA 3.47Å; T152-N194 PolarHBondContact OG1-OD1 3.39Å; N194-F200 CarbonylContact O-C 3.54Å; N194-F200 WeakPolarHBondContact O-CA 3.36Å; N194-F200 VanDerWaalsContact O-CB 3.26Å; N194-F200 WeakPolarHBondContact O-CB 3.36Å; N194-S201 PolarHBondContact N-O 2.56Å; N194-S201 PolarHBondContact O-N 3.24Å
195	K	78.2	Confident	66.7	Low	46 Å²	46	29.9 Å²	29.9	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.1	175.5	175.5	176.8	170.1	165.6	0	109.9	D150 S151 I153 G197 R199 E241	D150-K195 WeakPolarHBondContact CA-O 3.23Å; S151-K195 PolarHBondContact N-O 2.63Å; S151-K195 PolarHBondContact O-N 3.27Å; I153-K195 HydrophobicContact CG1-CB 4.06Å; I153-K195 HydrophobicContact CG1-CD 4.44Å; K195-G197 WeakPolarHBondContact CE-O 3.34Å; K195-R199 WeakPolarHBondContact CA-O 3.43Å; K195-E241 WeakPolarHBondContact CE-OE1 3.43Å; K195-E241 IonicContact NZ-OE1 3.56Å; K195-E241 PolarHBondContact NZ-OE1 2.9Å
196	H	76.1	Confident	65.8	Low	18 Å²	18	30.3 Å²	30.3	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	107.7	174.5	174.2	63	0	0	0	108.6	K117 V119 E147 D150 N198 R199	K117-H196 PolarHBondContact NZ-CE1 3.37Å; K117-H196 PolarHBondContact NZ-NE2 3.06Å; V119-H196 HydrophobicContact CB-CB 4.5Å; V119-H196 HydrophobicContact CG1-CB 4.03Å; V119-H196 HydrophobicContact CG2-CB 3.7Å; E147-H196 IonicContact OE1-CE1 2.88Å; D150-H196 IonicContact OD1-CE1 2.68Å; D150-H196 IonicContact OD1-CG 3.42Å; D150-H196 IonicContact OD1-ND1 2.86Å; D150-H196 PolarHBondContact OD1-ND1 3.42Å; D150-H196 IonicContact OD2-ND1 3.22Å; D150-H196 PolarHBondContact OD2-ND1 2.78Å; H196-N198 PolarHBondContact O-N 2.98Å; H196-N198 VanDerWaalsContact O-N 3.14Å; H196-R199 PolarHBondContact N-O 3.11Å; H196-R199 WeakPolarHBondContact O-CB 3.25Å; H196-R199 PolarHBondContact O-N 3.39Å
197	G	71.4	Confident	64.5	Low	57 Å²	57	35.1 Å²	35.1	59%	0.588	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-117.9	-173.6	0	0	0	0	0	112	K195	K195-G197 WeakPolarHBondContact CE-O 3.34Å
198	N	63.8	Low	63	Low	102 Å²	102	36.5 Å²	36.5	55%	0.545	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	17.2	175.6	68	-24.2	0	0	0	113.5	H196	H196-N198 PolarHBondContact O-N 2.98Å; H196-N198 VanDerWaalsContact O-N 3.14Å
199	R	67	Low	61.1	Low	30 Å²	30	41 Å²	41	11%	0.113	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153.2	-178.9	-54.7	-177.8	-172.8	178.6	4.3	109.8	K117 V119 K195 H196	K117-R199 VanDerWaalsContact CB-NH1 3.34Å; K117-R199 VanDerWaalsContact N-NH1 3.14Å; K117-R199 PolarHBondContact O-NH1 2.62Å; V119-R199 HydrophobicContact CG2-CB 3.61Å; K195-R199 WeakPolarHBondContact CA-O 3.43Å; H196-R199 PolarHBondContact N-O 3.11Å; H196-R199 WeakPolarHBondContact O-CB 3.25Å; H196-R199 PolarHBondContact O-N 3.39Å
200	F	69.9	Low	59.1	Low	37 Å²	37	45.7 Å²	45.7	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.5	174.3	65.1	-89.3	0	0	0	111.1	E39 F193 N194 L202 V238	E39-F200 WeakPolarHBondContact CG-O 3.45Å; F193-F200 HydrophobicContact CD2-CB 3.87Å; F193-F200 HydrophobicContact CE2-CB 4.24Å; N194-F200 CarbonylContact O-C 3.54Å; N194-F200 WeakPolarHBondContact O-CA 3.36Å; N194-F200 VanDerWaalsContact O-CB 3.26Å; N194-F200 WeakPolarHBondContact O-CB 3.36Å; F200-L202 HydrophobicContact CD2-CD2 4.23Å; F200-L202 HydrophobicContact CE2-CD2 4.19Å; F200-L202 HydrophobicContact CE2-CG 4.27Å; F200-V238 HydrophobicContact CE1-CG2 4.1Å; F200-V238 HydrophobicContact CZ-CG2 3.92Å
201	S	69	Low	57.1	Low	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	171.2	61.6	0	0	0	0	111.2	E39 V119 P120 F193 N194	E39-S201 WeakPolarHBondContact OE2-CA 2.9Å; E39-S201 WeakPolarHBondContact OE2-CB 3.15Å; V119-S201 WeakPolarHBondContact O-CB 3.46Å; P120-S201 PolarHBondContact O-OG 2.81Å; F193-S201 WeakPolarHBondContact CA-O 2.98Å; F193-S201 WeakPolarHBondContact CB-O 3.15Å; N194-S201 PolarHBondContact N-O 2.56Å; N194-S201 PolarHBondContact O-N 3.24Å
202	L	63.9	Low	54.9	Low	5 Å²	5	57.2 Å²	57.2	3%	0.026	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76	156.9	169.6	-66.9	-168.1	0	0	0	111.6	Q38 E39 F193 F200 W263	Q38-L202 HydrophobicContact CG-CD1 4.16Å; E39-L202 WeakPolarHBondContact O-CB 3.22Å; E39-L202 WeakPolarHBondContact O-CD1 3.47Å; E39-L202 WeakPolarHBondContact O-CG 3.15Å; F193-L202 HydrophobicContact CB-CD2 4.18Å; F200-L202 HydrophobicContact CD2-CD2 4.23Å; F200-L202 HydrophobicContact CE2-CD2 4.19Å; F200-L202 HydrophobicContact CE2-CG 4.27Å; L202-W263 HydrophobicContact CD1-CH2 4.18Å; L202-W263 HydrophobicContact CD1-CZ3 4.21Å
203	P	63.8	Low	52.9	Low	14 Å²	14	58.7 Å²	58.7	9%	0.091	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-69.5	148.5	-179.1	24.6	-31	0	0	0	112.3	I122 V125 L192	I122-P203 HydrophobicContact CB-CB 4Å; I122-P203 HydrophobicContact CG2-CB 4.15Å; I122-P203 CarbonylContact O-C 3.51Å; I122-P203 WeakPolarHBondContact O-CA 3.3Å; I122-P203 WeakPolarHBondContact O-CB 3.48Å; V125-P203 HydrophobicContact CG2-CB 4.25Å; L192-P203 VanDerWaalsContact O-CD 3.24Å; L192-P203 WeakPolarHBondContact O-CD 3.37Å
204	T	57.8	Low	50.8	Low	23 Å²	23	66.5 Å²	66.5	14%	0.141	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-80.6	139.7	165.8	62.3	0	0	0	0	110.3	T41 R121 I122 E123	T41-T204 WeakPolarHBondContact O-CG2 3.46Å; R121-T204 HydrophobicContact CB-CG2 3.83Å; R121-T204 VanDerWaalsContact CD-CG2 3.4Å; R121-T204 HydrophobicContact CG-CG2 4.24Å; I122-T204 PolarHBondContact O-N 2.75Å; I122-T204 PolarHBondContact O-OG1 3.22Å; E123-T204 WeakPolarHBondContact CB-OG1 3.29Å; E123-T204 VanDerWaalsContact CG-OG1 3.25Å; E123-T204 WeakPolarHBondContact CG-OG1 3.07Å
205	M	47.3	Very low	48.4	Very low	66 Å²	66	69.1 Å²	69.1	33%	0.325	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-94.1	126.9	173.5	-72.1	-171.5	-87.2	0	0	106.7	T41 L222	T41-M205 HydrophobicContact CG2-CB 3.56Å; T41-M205 HydrophobicContact CG2-CE 3.83Å; T41-M205 HydrophobicContact CG2-CG 3.8Å; T41-M205 WeakPolarHBondContact OG1-CE 3.18Å; M205-L222 WeakPolarHBondContact CE-O 3.48Å; M205-L222 HydrophobicContact CG-CB 4.06Å; M205-L222 VanDerWaalsContact SD-C 3.57Å; M205-L222 HydrophobicContact SD-CB 3.8Å
206	V	37.9	Very low	46.1	Very low	77 Å²	77	72.2 Å²	72.2	47%	0.467	42%	0.419	S	S	.	.			trans	-92.7	113.5	159.1	-174.5	0	0	0	0	106	N124 T208	N124-V206 VanDerWaalsContact OD1-CG2 3.25Å; N124-V206 WeakPolarHBondContact OD1-CG2 3.23Å; V206-T208 HydrophobicContact CB-CG2 4.46Å; V206-T208 HydrophobicContact CG1-CG2 3.69Å; V206-T208 PolarHBondContact O-N 3.09Å
207	I	30.7	Very low	43.8	Very low	138 Å²	138	77.8 Å²	77.8	71%	0.708	45%	0.445	S	S	*	.			trans	-70.3	78.8	167.4	-55.1	173.1	0	0	0	106.4	S209	I207-S209 PolarHBondContact O-N 2.85Å
208	T	26.5	Very low	41.7	Very low	73 Å²	73	79.1 Å²	79.1	45%	0.448	44%	0.436	S	S	.	.			trans	-77.6	103.1	166.5	45.8	0	0	0	0	107.3	V206 L210	V206-T208 HydrophobicContact CB-CG2 4.46Å; V206-T208 HydrophobicContact CG1-CG2 3.69Å; V206-T208 PolarHBondContact O-N 3.09Å; T208-L210 VanDerWaalsContact C-N 3.35Å; T208-L210 PolarHBondContact O-N 2.78Å
209	S	24.2	Very low	39.9	Very low	101 Å²	101	76 Å²	76	71%	0.706	42%	0.421	S	S	*	.			trans	-57.4	99.3	163.8	57.3	0	0	0	0	108.2	I207	I207-S209 PolarHBondContact O-N 2.85Å
210	L	24.9	Very low	38	Very low	118 Å²	118	76.9 Å²	76.9	62%	0.618	43%	0.434	S	S	*	.			trans	-116.7	121.8	170.9	-77.5	167.6	0	0	0	108.9	T208	T208-L210 VanDerWaalsContact C-N 3.35Å; T208-L210 PolarHBondContact O-N 2.78Å
211	H	24.6	Very low	36.1	Very low	157 Å²	157	81.1 Å²	81.1	73%	0.727	45%	0.45	S	S	*	.			trans	-71	141.9	-164.1	-113.7	-93.6	0	0	0	113.5
212	T	25.8	Very low	34.3	Very low	115 Å²	115	83 Å²	83	71%	0.706	46%	0.46	S	S	*	.			trans	40	133.3	147.5	-28.7	0	0	0	0	121.8
213	V	33.1	Very low	32.7	Very low	42 Å²	42	89.8 Å²	89.8	26%	0.255	49%	0.492	S	S	.	.			trans	-126.5	102.6	-166.8	145.3	0	0	0	0	109.6	Q216 H217 E218	V213-Q216 HydrophobicContact CB-CB 3.94Å; V213-Q216 HydrophobicContact CB-CG 3.94Å; V213-Q216 HydrophobicContact CG1-CB 3.44Å; V213-Q216 VanDerWaalsContact CG1-CB 3.44Å; V213-Q216 HydrophobicContact CG1-CG 3.17Å; V213-Q216 VanDerWaalsContact CG1-NE2 3.26Å; V213-Q216 HydrophobicContact CG2-CB 3.75Å; V213-Q216 HydrophobicContact CG2-CG 4.33Å; V213-H217 WeakPolarHBondContact CG2-O 3.26Å; V213-E218 HydrophobicContact CG2-CG 4.16Å
214	N	32.2	Very low	31.2	Very low	167 Å²	167	90.5 Å²	90.5	89%	0.893	50%	0.496	S	S	*	.	S	Bend	trans	-142.5	45.7	145.8	-107.2	-3.7	0	0	0	107.4
215	G	27.9	Very low	30.1	Very low	65 Å²	65	90.7 Å²	90.7	67%	0.67	50%	0.496	S	S	*	.	S	Bend	trans	166.3	53.4	-170.2	0	0	0	0	0	109.4
216	Q	31.1	Very low	29.3	Very low	111 Å²	111	89.5 Å²	89.5	52%	0.519	49%	0.49	S	S	.	.				-84.6	110.8	-117.1	-61.5	-165.3	-29.5	0	0	117.1	V213	V213-Q216 HydrophobicContact CB-CB 3.94Å; V213-Q216 HydrophobicContact CB-CG 3.94Å; V213-Q216 HydrophobicContact CG1-CB 3.44Å; V213-Q216 VanDerWaalsContact CG1-CB 3.44Å; V213-Q216 HydrophobicContact CG1-CG 3.17Å; V213-Q216 VanDerWaalsContact CG1-NE2 3.26Å; V213-Q216 HydrophobicContact CG2-CB 3.75Å; V213-Q216 HydrophobicContact CG2-CG 4.33Å
217	H	26.7	Very low	28.9	Very low	136 Å²	136	91.3 Å²	91.3	63%	0.63	50%	0.496	S	S	*	.			trans	-88.2	93.3	160.5	-65.3	-74.4	0	0	0	111.5	V213	V213-H217 WeakPolarHBondContact CG2-O 3.26Å
218	E	26.6	Very low	29	Very low	85 Å²	85	88.8 Å²	88.8	40%	0.397	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-93.4	142	162.1	-14	-175.2	125.1	0	0	110.4	V213 K265 Y267	V213-E218 HydrophobicContact CG2-CG 4.16Å; E218-K265 IonicContact OE2-NZ 3.4Å; E218-K265 PolarHBondContact OE2-NZ 3.19Å; E218-Y267 VanDerWaalsContact C-CZ 3.43Å; E218-Y267 HydrophobicContact CB-CE1 3.47Å; E218-Y267 VanDerWaalsContact CB-CE1 3.47Å; E218-Y267 WeakPolarHBondContact CB-OH 3.16Å; E218-Y267 HydrophobicContact CG-CE1 3.7Å; E218-Y267 WeakPolarHBondContact O-CE2 3.3Å; E218-Y267 PolarHBondContact O-OH 3.44Å
219	P	27.5	Very low	29.4	Very low	37 Å²	37	92.9 Å²	92.9	24%	0.24	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-95.1	146.1	164.4	-6.1	25.2	0	0	0	112	Y221 Y267	P219-Y221 HydrophobicContact CB-CE2 4.17Å; P219-Y221 WeakPolarHBondContact O-CD2 3.27Å; P219-Y221 WeakPolarHBondContact O-CE2 3.5Å; P219-Y267 VanDerWaalsContact CA-OH 3.27Å; P219-Y267 WeakPolarHBondContact CA-OH 3.26Å; P219-Y267 PolarHBondContact O-OH 3.03Å
220	A	27.2	Very low	29.8	Very low	48 Å²	48	92 Å²	92	40%	0.397	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-96.2	127	176.9	0	0	0	0	0	110.2	K265 Y267	A220-K265 HydrophobicContact CB-CB 3.8Å; A220-K265 WeakPolarHBondContact CB-O 3.41Å; A220-Y267 HydrophobicContact CB-CE2 4.36Å; A220-Y267 PolarHBondContact N-OH 2.91Å; A220-Y267 VanDerWaalsContact N-OH 3.14Å
221	Y	29.8	Very low	30.2	Very low	125 Å²	125	95.8 Å²	95.8	49%	0.49	51%	0.508	S	S	.	.			trans	-106.4	141.7	-175.4	-57.9	-86.9	0	0	0	110.8	P219	P219-Y221 HydrophobicContact CB-CE2 4.17Å; P219-Y221 WeakPolarHBondContact O-CD2 3.27Å; P219-Y221 WeakPolarHBondContact O-CE2 3.5Å
222	L	31.4	Very low	30.7	Very low	40 Å²	40	94 Å²	94	21%	0.209	50%	0.504	C	S	.	.			trans	-104.8	77.3	175.1	-89	166.1	0	0	0	109.1	M205 T224 W263	M205-L222 WeakPolarHBondContact CE-O 3.48Å; M205-L222 HydrophobicContact CG-CB 4.06Å; M205-L222 VanDerWaalsContact SD-C 3.57Å; M205-L222 HydrophobicContact SD-CB 3.8Å; L222-T224 PolarHBondContact O-N 2.81Å; L222-W263 VanDerWaalsContact CD2-CA 3.44Å; L222-W263 HydrophobicContact CD2-CB 4Å; L222-W263 HydrophobicContact CD2-CD2 4.09Å; L222-W263 HydrophobicContact CD2-CE3 3.58Å; L222-W263 HydrophobicContact CD2-CG 4.31Å; L222-W263 HydrophobicContact CD2-CZ3 4.38Å
223	E	28.8	Very low	31.1	Very low	147 Å²	147	89.9 Å²	89.9	69%	0.687	48%	0.479	S	S	*	.			trans	-67.7	106.4	178.7	-153	169.9	-160	0	0	109.7	N225	E223-N225 PolarHBondContact O-N 2.67Å
224	T	33.2	Very low	31.3	Very low	30 Å²	30	90.4 Å²	90.4	18%	0.184	48%	0.48	C	S	.	.			trans	-72.4	96.2	173.2	48.4	0	0	0	0	108	Q40 T41 L222 M226 W263	Q40-T224 HydrophobicContact CB-CG2 4.45Å; Q40-T224 PolarHBondContact OE1-OG1 2.81Å; T41-T224 WeakPolarHBondContact OG1-CG2 3.21Å; L222-T224 PolarHBondContact O-N 2.81Å; T224-M226 PolarHBondContact O-N 2.89Å; T224-W263 HydrophobicContact CG2-CH2 4.15Å; T224-W263 HydrophobicContact CG2-CZ3 4.35Å
225	N	34.4	Very low	31.9	Very low	27 Å²	27	82.8 Å²	82.8	14%	0.144	44%	0.44	C	S	.	.			trans	-65.8	94.6	-175.5	-69.8	-32.2	0	0	0	112.7	E223 T235 M253	E223-N225 PolarHBondContact O-N 2.67Å; N225-T235 WeakPolarHBondContact CB-OG1 2.89Å; N225-T235 PolarHBondContact ND2-OG1 3.26Å; N225-M253 HydrophobicContact CB-CE 3.87Å; N225-M253 WeakPolarHBondContact OD1-CE 3.41Å
226	M	30.4	Very low	32.4	Very low	40 Å²	40	80.5 Å²	80.5	20%	0.197	41%	0.411	C	S	.	.			trans	-133.5	104.4	138.7	-73.3	-150.9	-58.1	0	0	107.8	A45 L82 T224 A228 N234	A45-M226 HydrophobicContact CB-CE 4.02Å; L82-M226 HydrophobicContact CD1-CE 4.37Å; L82-M226 HydrophobicContact CD2-CE 3.26Å; L82-M226 HydrophobicContact CG-CE 3.57Å; T224-M226 PolarHBondContact O-N 2.89Å; M226-A228 PolarHBondContact O-N 2.75Å; M226-N234 PolarHBondContact SD-OD1 3.35Å
227	I	29.2	Very low	32.8	Very low	116 Å²	116	81 Å²	81	60%	0.595	41%	0.408	S	S	*	.			trans	-58.2	113.3	159.5	-62.5	173.1	0	0	0	104.4	N229 D230	I227-N229 PolarHBondContact O-N 3.14Å; I227-D230 PolarHBondContact O-N 3.09Å
228	A	34.3	Very low	33.5	Very low	85 Å²	85	76.4 Å²	76.4	70%	0.702	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	5.3	-166.2	0	0	0	0	0	116.2	M226	M226-A228 PolarHBondContact O-N 2.75Å
229	N	33	Very low	34.1	Very low	158 Å²	158	74.6 Å²	74.6	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	0.3	-179.9	-81.6	-36.2	0	0	0	116.2	I227	I227-N229 PolarHBondContact O-N 3.14Å
230	D	34	Very low	34.5	Very low	82 Å²	82	76.8 Å²	76.8	44%	0.439	39%	0.39	S	S	.	.			trans	-103.3	96.6	175.1	-164.1	-15.4	0	0	0	111.7	I227 N232 T233	I227-D230 PolarHBondContact O-N 3.09Å; D230-N232 PolarHBondContact O-N 2.94Å; D230-N232 PolarHBondContact OD1-N 2.99Å; D230-T233 HydrophobicContact CB-CG2 3.75Å; D230-T233 PolarHBondContact O-N 2.75Å; D230-T233 VanDerWaalsContact O-N 3.09Å; D230-T233 PolarHBondContact O-OG1 2.87Å; D230-T233 WeakPolarHBondContact OD2-CG2 3.5Å
231	R	33.6	Very low	34.9	Very low	199 Å²	199	77.9 Å²	77.9	75%	0.751	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-12.4	-178	-61.8	179.1	-173.4	-178.1	0.5	114.6
232	N	34.6	Very low	35.2	Very low	118 Å²	118	74.3 Å²	74.3	63%	0.631	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	7.4	-178.1	-74.7	-33.1	0	0	0	114.8	D230 K251	D230-N232 PolarHBondContact O-N 2.94Å; D230-N232 PolarHBondContact OD1-N 2.99Å; N232-K251 PolarHBondContact O-NZ 3.25Å
233	T	34.4	Very low	35.4	Very low	29 Å²	29	79.2 Å²	79.2	18%	0.178	41%	0.406	C	S	.	.			trans	-112.4	29.4	-169	63.3	0	0	0	0	115	D230 T235	D230-T233 HydrophobicContact CB-CG2 3.75Å; D230-T233 PolarHBondContact O-N 2.75Å; D230-T233 VanDerWaalsContact O-N 3.09Å; D230-T233 PolarHBondContact O-OG1 2.87Å; D230-T233 WeakPolarHBondContact OD2-CG2 3.5Å; T233-T235 PolarHBondContact O-N 2.84Å
234	N	35.8	Very low	35.6	Very low	54 Å²	54	76 Å²	76	29%	0.289	40%	0.404	S	S	.	.			trans	-64.7	90.1	161.3	-71.8	-1.3	0	0	0	108	M226 F236	M226-N234 PolarHBondContact SD-OD1 3.35Å; N234-F236 VanDerWaalsContact C-N 3.27Å; N234-F236 PolarHBondContact O-N 2.96Å
235	T	45.1	Very low	35.6	Very low	7 Å²	7	78.5 Å²	78.5	4%	0.043	41%	0.413	C	S	.	.			trans	-84.4	2	-177.1	56.4	0	0	0	0	111.8	N225 T233 W250 K251 M253	N225-T235 WeakPolarHBondContact CB-OG1 2.89Å; N225-T235 PolarHBondContact ND2-OG1 3.26Å; T233-T235 PolarHBondContact O-N 2.84Å; T235-W250 WeakPolarHBondContact O-CA 3.15Å; T235-W250 WeakPolarHBondContact O-CB 3.3Å; T235-K251 HydrophobicContact CG2-CB 4.19Å; T235-K251 VanDerWaalsContact CG2-O 3.32Å; T235-K251 WeakPolarHBondContact CG2-O 2.93Å; T235-K251 PolarHBondContact O-N 2.9Å; T235-M253 HydrophobicContact CG2-CE 4.34Å; T235-M253 HydrophobicContact CG2-CG 4.38Å
236	F	38.6	Very low	35.6	Very low	16 Å²	16	77.9 Å²	77.9	7%	0.07	41%	0.409	C	S	.	.			trans	-151.3	115.7	171.6	-173.6	-94.6	0	0	0	110.1	I191 N234 F248 E249 W263	I191-F236 HydrophobicContact CD1-CE2 4.21Å; I191-F236 HydrophobicContact CD1-CZ 4.28Å; N234-F236 VanDerWaalsContact C-N 3.27Å; N234-F236 PolarHBondContact O-N 2.96Å; F236-F248 AromaticContact CE1-CD1 3.62Å; F236-F248 HydrophobicContact CE1-CD1 3.62Å; F236-F248 HydrophobicContact CE1-CE1 4.01Å; F236-F248 HydrophobicContact CE1-CG 4.47Å; F236-F248 HydrophobicContact CE2-CB 3.9Å; F236-F248 AromaticContact CE2-CD1 3.94Å; F236-F248 HydrophobicContact CE2-CD1 3.94Å; F236-F248 AromaticContact CE2-CG 3.97Å; F236-F248 HydrophobicContact CE2-CG 3.97Å; F236-F248 HydrophobicContact CZ-CB 4.1Å; F236-F248 AromaticContact CZ-CD1 3.22Å; F236-F248 HydrophobicContact CZ-CD1 3.22Å; F236-F248 HydrophobicContact CZ-CD2 4.5Å; F236-F248 AromaticContact CZ-CE1 3.69Å; F236-F248 HydrophobicContact CZ-CE1 3.69Å; F236-F248 AromaticContact CZ-CG 3.7Å; F236-F248 HydrophobicContact CZ-CG 3.7Å; F236-E249 CarbonylContact C-O 3.57Å; F236-E249 WeakPolarHBondContact CA-O 3.13Å; F236-W263 HydrophobicContact CB-CZ2 3.77Å; F236-W263 HydrophobicContact CD1-CH2 4.42Å; F236-W263 AromaticContact CD1-CZ2 3.99Å; F236-W263 HydrophobicContact CD1-CZ2 3.99Å; F236-W263 HydrophobicContact CD2-CZ2 4.3Å; F236-W263 AromaticContact CD2-NE1 3.75Å; F236-W263 AromaticContact CG-CZ2 3.77Å; F236-W263 HydrophobicContact CG-CZ2 3.77Å
237	R	40	Very low	35.8	Very low	121 Å²	121	77.3 Å²	77.3	46%	0.457	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.8	175.7	61.3	173.8	-176.3	-166.1	0	110.6	I239 F248 E249	R237-I239 HydrophobicContact CG-CG2 3.75Å; R237-I239 PolarHBondContact O-N 3.19Å; R237-F248 CarbonylContact O-C 3.45Å; R237-F248 WeakPolarHBondContact O-CA 3.31Å; R237-E249 HydrophobicContact CG-CB 3.78Å; R237-E249 VanDerWaalsContact CZ-CD 3.43Å; R237-E249 IonicContact CZ-OE1 3.8Å; R237-E249 IonicContact CZ-OE2 2.89Å; R237-E249 PolarHBondContact N-O 2.82Å; R237-E249 IonicContact NE-OE1 2.91Å; R237-E249 IonicContact NE-OE2 2.78Å; R237-E249 PolarHBondContact NE-OE2 2.78Å; R237-E249 IonicContact NH2-OE1 3.53Å; R237-E249 PolarHBondContact NH2-OE1 2.97Å; R237-E249 IonicContact NH2-OE2 3.56Å; R237-E249 PolarHBondContact NH2-OE2 2.9Å; R237-E249 PolarHBondContact O-N 3.42Å
238	V	41.2	Very low	36.5	Very low	41 Å²	41	73.2 Å²	73.2	25%	0.248	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114	166.4	-167.7	0	0	0	0	107.2	F200 M246 A247 F248	F200-V238 HydrophobicContact CE1-CG2 4.1Å; F200-V238 HydrophobicContact CZ-CG2 3.92Å; V238-M246 HydrophobicContact CG1-CB 4.33Å; V238-M246 HydrophobicContact CG1-CG 4.46Å; V238-A247 CarbonylContact C-O 3.49Å; V238-F248 HydrophobicContact CB-CD1 4.08Å; V238-F248 HydrophobicContact CB-CE1 4.14Å; V238-F248 HydrophobicContact CG1-CD1 4.23Å; V238-F248 HydrophobicContact CG1-CE1 4.02Å; V238-F248 HydrophobicContact CG2-CD1 3.68Å; V238-F248 HydrophobicContact CG2-CE1 3.47Å; V238-F248 VanDerWaalsContact CG2-CE1 3.47Å
239	I	40.4	Very low	36.8	Very low	46 Å²	46	72.6 Å²	72.6	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-11.4	176.9	60.5	167.6	0	0	0	111.9	H15 R237 A247 E249	H15-I239 VanDerWaalsContact CE1-C 3.42Å; H15-I239 PolarHBondContact CE1-O 3.11Å; H15-I239 PolarHBondContact ND1-O 2.68Å; H15-I239 WeakPolarHBondContact NE2-CA 3.25Å; H15-I239 PolarHBondContact NE2-O 3.47Å; R237-I239 HydrophobicContact CG-CG2 3.75Å; R237-I239 PolarHBondContact O-N 3.19Å; I239-A247 HydrophobicContact CD1-CB 3.93Å; I239-A247 VanDerWaalsContact CG1-C 3.41Å; I239-A247 HydrophobicContact CG1-CB 3.61Å; I239-A247 VanDerWaalsContact CG1-O 3.23Å; I239-A247 WeakPolarHBondContact CG1-O 3.43Å; I239-A247 PolarHBondContact N-O 2.91Å; I239-E249 HydrophobicContact CD1-CB 4.33Å; I239-E249 HydrophobicContact CG2-CB 3.54Å
240	Q	35	Very low	37.3	Very low	83 Å²	83	71.7 Å²	71.7	39%	0.388	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	143.7	174.8	-156.1	171	3.4	0	0	110.3	Q242 F245 M246 A247	Q240-Q242 VanDerWaalsContact NE2-NE2 3.11Å; Q240-F245 HydrophobicContact CG-CE2 4.47Å; Q240-M246 CarbonylContact O-C 3.56Å; Q240-M246 WeakPolarHBondContact O-CA 3.32Å; Q240-M246 VanDerWaalsContact O-CB 3.29Å; Q240-M246 WeakPolarHBondContact O-CB 3.47Å; Q240-A247 HydrophobicContact CB-CB 3.75Å; Q240-A247 PolarHBondContact N-O 3.23Å; Q240-A247 PolarHBondContact O-N 3.22Å
241	E	34.8	Very low	37.5	Very low	72 Å²	72	73 Å²	73	34%	0.336	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.9	167.9	-175.8	176.4	-176.3	0	0	109.3	K195 M246	K195-E241 WeakPolarHBondContact CE-OE1 3.43Å; K195-E241 IonicContact NZ-OE1 3.56Å; K195-E241 PolarHBondContact NZ-OE1 2.9Å; E241-M246 HydrophobicContact CB-CG 3.91Å; E241-M246 HydrophobicContact CG-CG 3.73Å; E241-M246 HydrophobicContact CG-SD 4.12Å
242	Q	36.3	Very low	37.5	Very low	49 Å²	49	68.5 Å²	68.5	23%	0.229	36%	0.355	C	S	.	.			trans	-130	169.2	167.7	-64.1	-159.9	14.3	0	0	108.9	Q240 A244 F245	Q240-Q242 VanDerWaalsContact NE2-NE2 3.11Å; Q242-A244 PolarHBondContact O-N 2.89Å; Q242-F245 HydrophobicContact CB-CD1 4.04Å; Q242-F245 HydrophobicContact CB-CD2 4.46Å; Q242-F245 HydrophobicContact CB-CE1 3.83Å; Q242-F245 HydrophobicContact CB-CE2 4.28Å; Q242-F245 HydrophobicContact CB-CG 4.37Å; Q242-F245 HydrophobicContact CB-CZ 3.99Å; Q242-F245 VanDerWaalsContact CD-CE1 3.45Å; Q242-F245 HydrophobicContact CG-CE1 3.97Å; Q242-F245 HydrophobicContact CG-CE2 3.91Å; Q242-F245 HydrophobicContact CG-CZ 3.63Å; Q242-F245 PolarHBondContact N-O 2.7Å; Q242-F245 VanDerWaalsContact NE2-CZ 3.27Å; Q242-F245 PolarHBondContact O-N 3.22Å; Q242-F245 VanDerWaalsContact OE1-CZ 3.22Å
243	T	36.4	Very low	37.4	Very low	144 Å²	144	66 Å²	66	88%	0.883	34%	0.34	S	S	*	.	S	Bend	trans	-54.9	-28.3	-178.3	-41	0	0	0	0	113.5
244	A	31.9	Very low	37.3	Very low	78 Å²	78	69.4 Å²	69.4	65%	0.645	37%	0.371	S	S	*	.	S	Bend	trans	-117.9	-8.6	-174.8	0	0	0	0	0	115.2	Q242	Q242-A244 PolarHBondContact O-N 2.89Å
245	F	34.4	Very low	37	Very low	84 Å²	84	72.8 Å²	72.8	37%	0.368	39%	0.385	S	S	.	.			trans	-152.6	146.6	-179.6	61.2	-88.9	0	0	0	111.5	M165 Q240 Q242	M165-F245 VanDerWaalsContact CE-C 3.5Å; M165-F245 VanDerWaalsContact CE-CA 3.46Å; Q240-F245 HydrophobicContact CG-CE2 4.47Å; Q242-F245 HydrophobicContact CB-CD1 4.04Å; Q242-F245 HydrophobicContact CB-CD2 4.46Å; Q242-F245 HydrophobicContact CB-CE1 3.83Å; Q242-F245 HydrophobicContact CB-CE2 4.28Å; Q242-F245 HydrophobicContact CB-CG 4.37Å; Q242-F245 HydrophobicContact CB-CZ 3.99Å; Q242-F245 VanDerWaalsContact CD-CE1 3.45Å; Q242-F245 HydrophobicContact CG-CE1 3.97Å; Q242-F245 HydrophobicContact CG-CE2 3.91Å; Q242-F245 HydrophobicContact CG-CZ 3.63Å; Q242-F245 PolarHBondContact N-O 2.7Å; Q242-F245 VanDerWaalsContact NE2-CZ 3.27Å; Q242-F245 PolarHBondContact O-N 3.22Å; Q242-F245 VanDerWaalsContact OE1-CZ 3.22Å
246	M	34.4	Very low	36.5	Very low	14 Å²	14	81.8 Å²	81.8	7%	0.069	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.6	160.4	-70.9	167.6	-92.8	0	0	108.4	I153 F155 M165 F193 V238 Q240 E241 F248	I153-M246 HydrophobicContact CB-CE 4.37Å; I153-M246 HydrophobicContact CG1-CE 4.16Å; I153-M246 HydrophobicContact CG2-CE 3.78Å; F155-M246 HydrophobicContact CE2-CB 4.48Å; F155-M246 HydrophobicContact CE2-CE 3.86Å; F155-M246 HydrophobicContact CZ-CB 3.84Å; F155-M246 HydrophobicContact CZ-CE 3.95Å; M165-M246 HydrophobicContact CE-CB 4.31Å; M165-M246 HydrophobicContact CE-CE 3.52Å; M165-M246 HydrophobicContact CE-CG 4.24Å; M165-M246 VanDerWaalsContact CE-N 3.26Å; F193-M246 HydrophobicContact CE1-CE 4.47Å; F193-M246 HydrophobicContact CE2-CE 3.6Å; F193-M246 HydrophobicContact CE2-SD 3.95Å; F193-M246 HydrophobicContact CZ-CE 3.27Å; F193-M246 HydrophobicContact CZ-SD 3.62Å; V238-M246 HydrophobicContact CG1-CB 4.33Å; V238-M246 HydrophobicContact CG1-CG 4.46Å; Q240-M246 CarbonylContact O-C 3.56Å; Q240-M246 WeakPolarHBondContact O-CA 3.32Å; Q240-M246 VanDerWaalsContact O-CB 3.29Å; Q240-M246 WeakPolarHBondContact O-CB 3.47Å; E241-M246 HydrophobicContact CB-CG 3.91Å; E241-M246 HydrophobicContact CG-CG 3.73Å; E241-M246 HydrophobicContact CG-SD 4.12Å; M246-F248 HydrophobicContact CB-CE1 4.34Å; M246-F248 HydrophobicContact CB-CE2 3.67Å; M246-F248 HydrophobicContact CB-CZ 3.54Å; M246-F248 HydrophobicContact CG-CZ 4.48Å; M246-F248 HydrophobicContact SD-CZ 4.28Å
247	A	33.7	Very low	36.1	Very low	27 Å²	27	87.4 Å²	87.4	22%	0.223	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.8	171.8	0	0	0	0	0	108.1	V238 I239 Q240	V238-A247 CarbonylContact C-O 3.49Å; I239-A247 HydrophobicContact CD1-CB 3.93Å; I239-A247 VanDerWaalsContact CG1-C 3.41Å; I239-A247 HydrophobicContact CG1-CB 3.61Å; I239-A247 VanDerWaalsContact CG1-O 3.23Å; I239-A247 WeakPolarHBondContact CG1-O 3.43Å; I239-A247 PolarHBondContact N-O 2.91Å; Q240-A247 HydrophobicContact CB-CB 3.75Å; Q240-A247 PolarHBondContact N-O 3.23Å; Q240-A247 PolarHBondContact O-N 3.22Å
248	F	45.2	Very low	35.4	Very low	31 Å²	31	87.5 Å²	87.5	14%	0.136	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.6	178.7	-51.5	-93.3	0	0	0	108.7	F155 F193 F236 R237 V238 M246	F155-F248 HydrophobicContact CD2-CE2 4.14Å; F155-F248 HydrophobicContact CD2-CZ 4.22Å; F155-F248 HydrophobicContact CE1-CE2 4.01Å; F155-F248 AromaticContact CE2-CE2 3.62Å; F155-F248 HydrophobicContact CE2-CE2 3.62Å; F155-F248 AromaticContact CE2-CZ 3.57Å; F155-F248 HydrophobicContact CE2-CZ 3.57Å; F155-F248 AromaticContact CZ-CE2 3.53Å; F155-F248 HydrophobicContact CZ-CE2 3.53Å; F155-F248 AromaticContact CZ-CZ 3.85Å; F155-F248 HydrophobicContact CZ-CZ 3.85Å; F193-F248 HydrophobicContact CE1-CZ 4.35Å; F193-F248 HydrophobicContact CZ-CZ 4.38Å; F236-F248 AromaticContact CE1-CD1 3.62Å; F236-F248 HydrophobicContact CE1-CD1 3.62Å; F236-F248 HydrophobicContact CE1-CE1 4.01Å; F236-F248 HydrophobicContact CE1-CG 4.47Å; F236-F248 HydrophobicContact CE2-CB 3.9Å; F236-F248 AromaticContact CE2-CD1 3.94Å; F236-F248 HydrophobicContact CE2-CD1 3.94Å; F236-F248 AromaticContact CE2-CG 3.97Å; F236-F248 HydrophobicContact CE2-CG 3.97Å; F236-F248 HydrophobicContact CZ-CB 4.1Å; F236-F248 AromaticContact CZ-CD1 3.22Å; F236-F248 HydrophobicContact CZ-CD1 3.22Å; F236-F248 HydrophobicContact CZ-CD2 4.5Å; F236-F248 AromaticContact CZ-CE1 3.69Å; F236-F248 HydrophobicContact CZ-CE1 3.69Å; F236-F248 AromaticContact CZ-CG 3.7Å; F236-F248 HydrophobicContact CZ-CG 3.7Å; R237-F248 CarbonylContact O-C 3.45Å; R237-F248 WeakPolarHBondContact O-CA 3.31Å; V238-F248 HydrophobicContact CB-CD1 4.08Å; V238-F248 HydrophobicContact CB-CE1 4.14Å; V238-F248 HydrophobicContact CG1-CD1 4.23Å; V238-F248 HydrophobicContact CG1-CE1 4.02Å; V238-F248 HydrophobicContact CG2-CD1 3.68Å; V238-F248 HydrophobicContact CG2-CE1 3.47Å; V238-F248 VanDerWaalsContact CG2-CE1 3.47Å; M246-F248 HydrophobicContact CB-CE1 4.34Å; M246-F248 HydrophobicContact CB-CE2 3.67Å; M246-F248 HydrophobicContact CB-CZ 3.54Å; M246-F248 HydrophobicContact CG-CZ 4.48Å; M246-F248 HydrophobicContact SD-CZ 4.28Å
249	E	39.3	Very low	34.6	Very low	72 Å²	72	91.9 Å²	91.9	34%	0.336	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	169	-179.2	179.8	154.2	0	0	109.1	F236 R237 I239	F236-E249 CarbonylContact C-O 3.57Å; F236-E249 WeakPolarHBondContact CA-O 3.13Å; R237-E249 HydrophobicContact CG-CB 3.78Å; R237-E249 VanDerWaalsContact CZ-CD 3.43Å; R237-E249 IonicContact CZ-OE1 3.8Å; R237-E249 IonicContact CZ-OE2 2.89Å; R237-E249 PolarHBondContact N-O 2.82Å; R237-E249 IonicContact NE-OE1 2.91Å; R237-E249 IonicContact NE-OE2 2.78Å; R237-E249 PolarHBondContact NE-OE2 2.78Å; R237-E249 IonicContact NH2-OE1 3.53Å; R237-E249 PolarHBondContact NH2-OE1 2.97Å; R237-E249 IonicContact NH2-OE2 3.56Å; R237-E249 PolarHBondContact NH2-OE2 2.9Å; R237-E249 PolarHBondContact O-N 3.42Å; I239-E249 HydrophobicContact CD1-CB 4.33Å; I239-E249 HydrophobicContact CG2-CB 3.54Å
250	W	44.7	Very low	33.9	Very low	139 Å²	139	95.3 Å²	95.3	53%	0.527	49%	0.491	S	S	.	.			trans	-132.6	151.8	175.3	70.8	101.6	0	0	0	111.3	T235	T235-W250 WeakPolarHBondContact O-CA 3.15Å; T235-W250 WeakPolarHBondContact O-CB 3.3Å
251	K	38	Very low	33.5	Very low	109 Å²	109	93 Å²	93	47%	0.474	48%	0.483	S	S	.	.			trans	-107	126	171	-79.1	-174.6	-176.2	173.7	0	109.2	N232 T235	N232-K251 PolarHBondContact O-NZ 3.25Å; T235-K251 HydrophobicContact CG2-CB 4.19Å; T235-K251 VanDerWaalsContact CG2-O 3.32Å; T235-K251 WeakPolarHBondContact CG2-O 2.93Å; T235-K251 PolarHBondContact O-N 2.9Å
252	P	33.9	Very low	33.1	Very low	105 Å²	105	92.3 Å²	92.3	68%	0.682	48%	0.479	S	S	*	.			trans	-60.4	135.7	170.3	-18.8	30.3	0	0	0	110.8
253	M	31.5	Very low	33.2	Very low	64 Å²	64	91 Å²	91	32%	0.315	47%	0.472	S	S	.	.			trans	-76.6	135.8	173.2	-74.5	-175.6	161.1	0	0	110.3	N225 T235	N225-M253 HydrophobicContact CB-CE 3.87Å; N225-M253 WeakPolarHBondContact OD1-CE 3.41Å; T235-M253 HydrophobicContact CG2-CE 4.34Å; T235-M253 HydrophobicContact CG2-CG 4.38Å
254	A	33.6	Very low	32.7	Very low	102 Å²	102	85.2 Å²	85.2	84%	0.843	44%	0.437	S	S	*	.			trans	-95.4	19.3	-176.5	0	0	0	0	0	113.8	K256	A254-K256 PolarHBondContact O-N 3.43Å
255	H	29.4	Very low	32.5	Very low	125 Å²	125	85.2 Å²	85.2	58%	0.579	42%	0.422	S	S	*	.			trans	-75.1	121.5	175	-141	-80	0	0	0	108.2	D257 F258	H255-D257 PolarHBondContact O-N 3.4Å; H255-F258 HydrophobicContact CB-CD2 4.26Å; H255-F258 PolarHBondContact O-N 2.84Å
256	K	32.8	Very low	32.2	Very low	195 Å²	195	82.1 Å²	82.1	85%	0.848	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-9	-171.7	-76.7	-175.7	175	-178.6	0	115.3	A254	A254-K256 PolarHBondContact O-N 3.43Å
257	D	30.9	Very low	32	Very low	134 Å²	134	84.2 Å²	84.2	72%	0.717	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	0.5	177.1	-54.9	-46.1	0	0	0	113.3	H255	H255-D257 PolarHBondContact O-N 3.4Å
258	F	25.7	Very low	31.6	Very low	124 Å²	124	87.1 Å²	87.1	54%	0.544	43%	0.432	S	S	.	.			trans	-136	94.7	-179.9	-64.4	-73.5	0	0	0	110.9	H255 Y260	H255-F258 HydrophobicContact CB-CD2 4.26Å; H255-F258 PolarHBondContact O-N 2.84Å; F258-Y260 VanDerWaalsContact C-N 3.28Å; F258-Y260 PolarHBondContact O-N 3.49Å
259	N	25.2	Very low	30.7	Very low	132 Å²	132	92.7 Å²	92.7	71%	0.706	46%	0.457	S	S	*	.			trans	-83.4	12.6	176.7	-83	-30.3	0	0	0	114.4
260	Y	25.4	Very low	30	Very low	119 Å²	119	92.4 Å²	92.4	47%	0.467	47%	0.472	S	S	.	.			trans	-142.1	138.2	-167.5	-53	-77.1	0	0	0	113.1	F258 F262	F258-Y260 VanDerWaalsContact C-N 3.28Å; F258-Y260 PolarHBondContact O-N 3.49Å; Y260-F262 HydrophobicContact CD2-CZ 4.38Å; Y260-F262 HydrophobicContact CG-CZ 4.47Å; Y260-F262 WeakPolarHBondContact O-CD2 3.41Å
261	V	25.4	Very low	29.1	Very low	35 Å²	35	94.4 Å²	94.4	21%	0.212	49%	0.493	C	S	.	.			trans	-96.4	102.9	169.3	176.7	0	0	0	0	106.8	W263	V261-W263 PolarHBondContact O-N 2.88Å
262	F	27.7	Very low	28.6	Very low	57 Å²	57	101.9 Å²	101.9	25%	0.25	53%	0.533	C	S	.	.			trans	-79.5	108.4	-170.6	-68.5	-83.7	0	0	0	111.9	Y260 K265	Y260-F262 HydrophobicContact CD2-CZ 4.38Å; Y260-F262 HydrophobicContact CG-CZ 4.47Å; Y260-F262 WeakPolarHBondContact O-CD2 3.41Å; F262-K265 HydrophobicContact CD1-CB 3.75Å; F262-K265 HydrophobicContact CD1-CG 4.25Å; F262-K265 HydrophobicContact CE1-CB 3.95Å; F262-K265 HydrophobicContact CE1-CD 4.25Å; F262-K265 HydrophobicContact CE1-CG 3.92Å
263	W	37.7	Very low	28.4	Very low	22 Å²	22	101.8 Å²	101.8	8%	0.083	53%	0.525	C	S	.	.	S	Bend	trans	-115.8	91.8	152.5	-60.2	83.6	0	0	0	107.8	V189 I191 L202 L222 T224 F236 V261	V189-W263 HydrophobicContact CG1-CB 4.49Å; I191-W263 HydrophobicContact CG1-CB 4.2Å; L202-W263 HydrophobicContact CD1-CH2 4.18Å; L202-W263 HydrophobicContact CD1-CZ3 4.21Å; L222-W263 VanDerWaalsContact CD2-CA 3.44Å; L222-W263 HydrophobicContact CD2-CB 4Å; L222-W263 HydrophobicContact CD2-CD2 4.09Å; L222-W263 HydrophobicContact CD2-CE3 3.58Å; L222-W263 HydrophobicContact CD2-CG 4.31Å; L222-W263 HydrophobicContact CD2-CZ3 4.38Å; T224-W263 HydrophobicContact CG2-CH2 4.15Å; T224-W263 HydrophobicContact CG2-CZ3 4.35Å; F236-W263 HydrophobicContact CB-CZ2 3.77Å; F236-W263 HydrophobicContact CD1-CH2 4.42Å; F236-W263 AromaticContact CD1-CZ2 3.99Å; F236-W263 HydrophobicContact CD1-CZ2 3.99Å; F236-W263 HydrophobicContact CD2-CZ2 4.3Å; F236-W263 AromaticContact CD2-NE1 3.75Å; F236-W263 AromaticContact CG-CZ2 3.77Å; F236-W263 HydrophobicContact CG-CZ2 3.77Å; V261-W263 PolarHBondContact O-N 2.88Å
264	S	27	Very low	28.2	Very low	22 Å²	22	103.7 Å²	103.7	15%	0.154	54%	0.536	C	S	.	.	S	Bend	trans	70.5	101	-164.9	88.6	0	0	0	0	115	F190 M266	F190-S264 PolarHBondContact N-OG 3.22Å; S264-M266 PolarHBondContact O-N 3.18Å
265	K	27.2	Very low	27.9	Very low	77 Å²	77	103.8 Å²	103.8	34%	0.335	52%	0.519	S	S	.	.			trans	-66	112.2	160.3	-174.9	-176.5	-177.9	-162.1	0	107.5	E218 A220 F262	E218-K265 IonicContact OE2-NZ 3.4Å; E218-K265 PolarHBondContact OE2-NZ 3.19Å; A220-K265 HydrophobicContact CB-CB 3.8Å; A220-K265 WeakPolarHBondContact CB-O 3.41Å; F262-K265 HydrophobicContact CD1-CB 3.75Å; F262-K265 HydrophobicContact CD1-CG 4.25Å; F262-K265 HydrophobicContact CE1-CB 3.95Å; F262-K265 HydrophobicContact CE1-CD 4.25Å; F262-K265 HydrophobicContact CE1-CG 3.92Å
266	M	28.6	Very low	27.8	Very low	19 Å²	19	102.6 Å²	102.6	9%	0.094	52%	0.516	C	S	.	.			trans	-91.4	134.4	171.4	-86.3	-174.7	65.6	0	0	111	F180 E188 F190 S264 T268	F180-M266 HydrophobicContact CD2-CE 4.38Å; F180-M266 HydrophobicContact CE2-CE 3.26Å; F180-M266 HydrophobicContact CZ-CE 3.46Å; F180-M266 VanDerWaalsContact CZ-CE 3.46Å; E188-M266 HydrophobicContact CB-CE 4.04Å; E188-M266 HydrophobicContact CB-SD 3.52Å; E188-M266 VanDerWaalsContact CB-SD 3.52Å; E188-M266 HydrophobicContact CG-SD 3.88Å; E188-M266 WeakPolarHBondContact OE2-CE 3.18Å; F190-M266 HydrophobicContact CD2-SD 3.73Å; F190-M266 HydrophobicContact CE2-CE 4.23Å; F190-M266 HydrophobicContact CE2-SD 3.42Å; F190-M266 WeakPolarHBondContact CE2-SD 3.45Å; S264-M266 PolarHBondContact O-N 3.18Å; M266-T268 PolarHBondContact O-N 3.02Å
267	Y	28.4	Very low	27.5	Very low	58 Å²	58	96.8 Å²	96.8	23%	0.227	50%	0.495	C	S	.	.			trans	-65	112.9	171.1	-65.5	-77.5	0	0	0	110.8	E218 P219 A220 F269	E218-Y267 VanDerWaalsContact C-CZ 3.43Å; E218-Y267 HydrophobicContact CB-CE1 3.47Å; E218-Y267 VanDerWaalsContact CB-CE1 3.47Å; E218-Y267 WeakPolarHBondContact CB-OH 3.16Å; E218-Y267 HydrophobicContact CG-CE1 3.7Å; E218-Y267 WeakPolarHBondContact O-CE2 3.3Å; E218-Y267 PolarHBondContact O-OH 3.44Å; P219-Y267 VanDerWaalsContact CA-OH 3.27Å; P219-Y267 WeakPolarHBondContact CA-OH 3.26Å; P219-Y267 PolarHBondContact O-OH 3.03Å; A220-Y267 HydrophobicContact CB-CE2 4.36Å; A220-Y267 PolarHBondContact N-OH 2.91Å; A220-Y267 VanDerWaalsContact N-OH 3.14Å; Y267-F269 VanDerWaalsContact CB-CE2 3.42Å; Y267-F269 HydrophobicContact CD1-CE2 4.19Å; Y267-F269 HydrophobicContact CD1-CZ 4.28Å; Y267-F269 HydrophobicContact CG-CD2 4.42Å; Y267-F269 AromaticContact CG-CE2 3.76Å; Y267-F269 HydrophobicContact CG-CE2 3.76Å; Y267-F269 HydrophobicContact CG-CZ 4.28Å; Y267-F269 PolarHBondContact O-N 3.49Å
268	T	25.6	Very low	27.3	Very low	89 Å²	89	94.3 Å²	94.3	55%	0.546	48%	0.48	S	S	.	.			trans	-76.3	93.1	150.1	44.5	0	0	0	0	107.7	M266 G270	M266-T268 PolarHBondContact O-N 3.02Å; T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 3.12Å; T268-G270 VanDerWaalsContact O-N 3.16Å
269	F	26.8	Very low	27.4	Very low	148 Å²	148	92.2 Å²	92.2	65%	0.649	48%	0.475	S	S	*	.			trans	-76.1	96	159.3	-74.9	-79.7	0	0	0	106.8	Y267 L271	Y267-F269 VanDerWaalsContact CB-CE2 3.42Å; Y267-F269 HydrophobicContact CD1-CE2 4.19Å; Y267-F269 HydrophobicContact CD1-CZ 4.28Å; Y267-F269 HydrophobicContact CG-CD2 4.42Å; Y267-F269 AromaticContact CG-CE2 3.76Å; Y267-F269 HydrophobicContact CG-CE2 3.76Å; Y267-F269 HydrophobicContact CG-CZ 4.28Å; Y267-F269 PolarHBondContact O-N 3.49Å; F269-L271 PolarHBondContact O-N 3.16Å
270	G	25.1	Very low	27.6	Very low	65 Å²	65	89.2 Å²	89.2	67%	0.67	46%	0.458	S	S	*	.			trans	-58.3	120.2	163.4	0	0	0	0	0	108.1	T268 M272	T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 3.12Å; T268-G270 VanDerWaalsContact O-N 3.16Å; G270-M272 PolarHBondContact O-N 3.27Å; G270-M272 VanDerWaalsContact O-N 3.09Å
271	L	24.3	Very low	27.7	Very low	182 Å²	182	86.7 Å²	86.7	95%	0.953	46%	0.457	S	S	*	.			trans	-64.4	103.9	164.3	-80.3	155.4	0	0	0	107.2	F269	F269-L271 PolarHBondContact O-N 3.16Å
272	M	29.2	Very low	28	Very low	266 Å²	266	91.4 Å²	91.4	100%	1.31	48%	0.479	S	S	*	.			trans	-114.1	0	152.1	-88.7	-169.7	149.4	0	0	108.5	G270	G270-M272 PolarHBondContact O-N 3.27Å; G270-M272 VanDerWaalsContact O-N 3.09Å

Retrieved 272 of 272 residues in 77.3 ms (Link to these results)

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