A0A5K4FAR9_SCHMA Loading...

Sortilin-related receptor

AlphaFold DB , UniProt , Accession A0A5K4FAR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 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	23.1	Very low	21.4	Very low	234 Å²	234	142.4 Å²	142.4	100%	1.153	78%	0.784	S	S	*	*				0	91.5	0	-165.2	-175	-91.1	0	0	107.1
2	V	20.1	Very low	21.8	Very low	137 Å²	137	143.5 Å²	143.5	83%	0.83	79%	0.788	S	S	*	*			trans	-138.2	111.4	167.5	176.7	0	0	0	0	105.1
3	N	20	Very low	22.3	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	78%	0.779	S	S	*	*			trans	-70.7	141.2	170.7	-69	-37.6	0	0	0	108.9
4	L	19.2	Very low	22.5	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	77%	0.77	S	S	*	*			trans	-158.1	84.2	154	-128.2	91.9	0	0	0	107.1
5	I	18.7	Very low	23.1	Very low	149 Å²	149	138.3 Å²	138.3	76%	0.764	76%	0.764	S	S	*	*				60.2	96.3	102.6	-56.9	176	0	0	0	112.4
6	T	18.2	Very low	23.2	Very low	115 Å²	115	135.3 Å²	135.3	71%	0.706	74%	0.743	S	S	*	*			trans	-57.4	135.4	155.2	28.6	0	0	0	0	111.5	L8	T6-L8 HydrophobicContact CG2-CD1 4.25Å
7	S	20.7	Very low	23.4	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	73%	0.734	S	S	*	*			trans	-126.7	79.5	150.6	71.5	0	0	0	0	108.9
8	L	22.9	Very low	23.7	Very low	121 Å²	121	131 Å²	131	63%	0.634	74%	0.74	S	S	*	*			trans	-88.7	111.1	166.2	-87.1	153	0	0	0	107.2	T6 T10	T6-L8 HydrophobicContact CG2-CD1 4.25Å; L8-T10 PolarHBondContact O-N 3.43Å; L8-T10 VanDerWaalsContact O-N 3.15Å
9	H	22	Very low	24	Very low	186 Å²	186	127.3 Å²	127.3	86%	0.861	71%	0.714	S	S	*	*			trans	-77.3	97.4	165.1	-139.5	-56	0	0	0	107.2
10	T	23.8	Very low	24.5	Very low	93 Å²	93	121.9 Å²	121.9	57%	0.571	68%	0.683	S	S	*	*			trans	-98.7	119.6	173.6	20.6	0	0	0	0	108	L8	L8-T10 PolarHBondContact O-N 3.43Å; L8-T10 VanDerWaalsContact O-N 3.15Å
11	V	26.4	Very low	25.1	Very low	108 Å²	108	122.7 Å²	122.7	66%	0.655	68%	0.681	S	S	*	*	S	Bend	trans	-107.2	109.1	160.6	-178.3	0	0	0	0	106.7	G13	V11-G13 VanDerWaalsContact C-N 3.34Å; V11-G13 PolarHBondContact O-N 3.31Å; V11-G13 VanDerWaalsContact O-N 3.13Å
12	N	26.7	Very low	25.7	Very low	156 Å²	156	115.2 Å²	115.2	83%	0.834	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.9	42.4	173.4	-66.9	-15.5	0	0	0	117.3	Q14	N12-Q14 PolarHBondContact O-N 3.13Å
13	G	27.5	Very low	26.5	Very low	65 Å²	65	109 Å²	109	67%	0.67	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.6	21.7	160.6	0	0	0	0	0	116.2	V11	V11-G13 VanDerWaalsContact C-N 3.34Å; V11-G13 PolarHBondContact O-N 3.31Å; V11-G13 VanDerWaalsContact O-N 3.13Å
14	Q	25.2	Very low	27.1	Very low	141 Å²	141	105.8 Å²	105.8	66%	0.659	59%	0.592	S	S	*	*			trans	-103.4	129.2	177.4	-65	-174.4	-27.5	0	0	111.3	N12	N12-Q14 PolarHBondContact O-N 3.13Å
15	H	31.5	Very low	28	Very low	147 Å²	147	101.4 Å²	101.4	68%	0.681	57%	0.569	S	S	*	*			trans	-111.6	145.8	170.8	-78.2	-61.5	0	0	0	110.9
16	E	25.5	Very low	28.8	Very low	90 Å²	90	98.7 Å²	98.7	42%	0.421	57%	0.569	S	S	.	*			trans	-142.6	133.7	-155.2	-106.9	-158.2	-162.2	0	0	106.2	Y19 R29	E16-Y19 VanDerWaalsContact C-CE2 3.47Å; E16-Y19 VanDerWaalsContact CA-CE2 3.46Å; E16-Y19 HydrophobicContact CB-CD2 3.44Å; E16-Y19 VanDerWaalsContact CB-CD2 3.44Å; E16-Y19 HydrophobicContact CB-CE2 3.26Å; E16-Y19 HydrophobicContact CG-CD2 3.68Å; E16-Y19 HydrophobicContact CG-CE2 3.28Å; E16-Y19 WeakPolarHBondContact OE2-CD2 3.39Å; E16-Y19 WeakPolarHBondContact OE2-CE2 3.37Å; E16-R29 VanDerWaalsContact CD-NE 3.29Å; E16-R29 VanDerWaalsContact CD-NH2 3.28Å; E16-R29 IonicContact OE1-CZ 3.65Å; E16-R29 IonicContact OE1-NE 2.67Å; E16-R29 PolarHBondContact OE1-NE 2.59Å; E16-R29 IonicContact OE1-NH1 3.62Å; E16-R29 IonicContact OE1-NH2 3.81Å; E16-R29 PolarHBondContact OE1-NH2 3.46Å
17	P	25.9	Very low	29.7	Very low	92 Å²	92	99.7 Å²	99.7	60%	0.597	57%	0.57	S	S	*	*	S	Bend	trans	-50.5	171.7	170.4	3.7	-18.2	0	0	0	112.6	Y19	P17-Y19 HydrophobicContact CB-CE2 4.2Å; P17-Y19 WeakPolarHBondContact CD-OH 3Å; P17-Y19 HydrophobicContact CG-CD2 4.36Å; P17-Y19 HydrophobicContact CG-CE1 4.25Å; P17-Y19 HydrophobicContact CG-CE2 3.5Å; P17-Y19 VanDerWaalsContact CG-CZ 3.44Å; P17-Y19 VanDerWaalsContact CG-OH 3.3Å; P17-Y19 WeakPolarHBondContact CG-OH 3.5Å; P17-Y19 WeakPolarHBondContact O-CD2 2.98Å; P17-Y19 WeakPolarHBondContact O-CE2 3.18Å; P17-Y19 PolarHBondContact O-N 3.15Å
18	A	29.9	Very low	30.6	Very low	101 Å²	101	97.1 Å²	97.1	84%	0.835	55%	0.546	S	S	*	.	S	Bend	trans	-60.7	84.5	176.8	0	0	0	0	0	110.5
19	Y	29.6	Very low	31.3	Very low	61 Å²	61	95.1 Å²	95.1	24%	0.239	53%	0.53	C	S	.	.			trans	-85.7	153	177.4	-66.5	-82.5	0	0	0	108.6	E16 P17 E21 N32	E16-Y19 VanDerWaalsContact C-CE2 3.47Å; E16-Y19 VanDerWaalsContact CA-CE2 3.46Å; E16-Y19 HydrophobicContact CB-CD2 3.44Å; E16-Y19 VanDerWaalsContact CB-CD2 3.44Å; E16-Y19 HydrophobicContact CB-CE2 3.26Å; E16-Y19 HydrophobicContact CG-CD2 3.68Å; E16-Y19 HydrophobicContact CG-CE2 3.28Å; E16-Y19 WeakPolarHBondContact OE2-CD2 3.39Å; E16-Y19 WeakPolarHBondContact OE2-CE2 3.37Å; P17-Y19 HydrophobicContact CB-CE2 4.2Å; P17-Y19 WeakPolarHBondContact CD-OH 3Å; P17-Y19 HydrophobicContact CG-CD2 4.36Å; P17-Y19 HydrophobicContact CG-CE1 4.25Å; P17-Y19 HydrophobicContact CG-CE2 3.5Å; P17-Y19 VanDerWaalsContact CG-CZ 3.44Å; P17-Y19 VanDerWaalsContact CG-OH 3.3Å; P17-Y19 WeakPolarHBondContact CG-OH 3.5Å; P17-Y19 WeakPolarHBondContact O-CD2 2.98Å; P17-Y19 WeakPolarHBondContact O-CE2 3.18Å; P17-Y19 PolarHBondContact O-N 3.15Å; Y19-E21 PolarHBondContact O-N 3.47Å; Y19-N32 WeakPolarHBondContact CD1-ND2 3.41Å; Y19-N32 WeakPolarHBondContact CE1-ND2 3.39Å
20	L	34.1	Very low	32.3	Very low	19 Å²	19	92.4 Å²	92.4	10%	0.099	52%	0.522	C	S	.	.			trans	-63.3	117.6	157.5	-55	169.6	0	0	0	106.8	T22 N23 F34 I114 T115 Y116	L20-T22 PolarHBondContact O-N 2.91Å; L20-N23 HydrophobicContact CB-CB 3.71Å; L20-N23 HydrophobicContact CD1-CB 3.75Å; L20-N23 HydrophobicContact CG-CB 4.39Å; L20-N23 PolarHBondContact O-N 3.25Å; L20-F34 HydrophobicContact CD1-CB 3.71Å; L20-F34 HydrophobicContact CD1-CD1 3.29Å; L20-F34 HydrophobicContact CD1-CE1 4.16Å; L20-F34 HydrophobicContact CD1-CG 3.84Å; L20-F34 HydrophobicContact CD2-CD1 4.38Å; L20-F34 HydrophobicContact CD2-CE1 4.48Å; L20-F34 HydrophobicContact CG-CD1 4.28Å; L20-I114 HydrophobicContact CB-CG2 3.96Å; L20-I114 HydrophobicContact CD1-CB 4.13Å; L20-I114 HydrophobicContact CD1-CD1 4.23Å; L20-I114 HydrophobicContact CD1-CG1 3.93Å; L20-I114 HydrophobicContact CD1-CG2 3.3Å; L20-I114 HydrophobicContact CD2-CG2 3.27Å; L20-I114 HydrophobicContact CG-CG2 3.61Å; L20-T115 WeakPolarHBondContact CA-O 3.25Å; L20-Y116 HydrophobicContact CD2-CD2 4.04Å; L20-Y116 HydrophobicContact CD2-CG 4.27Å
21	E	37.1	Very low	33.1	Very low	139 Å²	139	89.8 Å²	89.8	65%	0.65	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.2	-172.8	-46.3	170	121.6	0	0	113.8	Y19 T115	Y19-E21 PolarHBondContact O-N 3.47Å; E21-T115 WeakPolarHBondContact CA-OG1 3.48Å; E21-T115 WeakPolarHBondContact CB-OG1 3.04Å; E21-T115 WeakPolarHBondContact CG-OG1 3.37Å; E21-T115 PolarHBondContact N-O 3.48Å; E21-T115 PolarHBondContact N-OG1 3.44Å; E21-T115 PolarHBondContact OE2-OG1 2.61Å
22	T	35.5	Very low	34	Very low	77 Å²	77	86.8 Å²	86.8	47%	0.472	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	13.4	-174.4	42.3	0	0	0	0	116.7	L20 M24 D113 T115	L20-T22 PolarHBondContact O-N 2.91Å; T22-M24 PolarHBondContact O-N 2.77Å; T22-D113 CarbonylContact C-O 3.57Å; T22-D113 VanDerWaalsContact O-O 3.07Å; T22-D113 PolarHBondContact OG1-O 2.8Å; T22-T115 PolarHBondContact N-OG1 3.15Å; T22-T115 PolarHBondContact OG1-OG1 3.25Å
23	N	36.1	Very low	35.2	Very low	5 Å²	5	79.7 Å²	79.7	3%	0.027	45%	0.449	C	S	.	.			trans	-102.7	56.4	-174.7	-163.1	22.4	0	0	0	116	L20 T33 F34 I114	L20-N23 HydrophobicContact CB-CB 3.71Å; L20-N23 HydrophobicContact CD1-CB 3.75Å; L20-N23 HydrophobicContact CG-CB 4.39Å; L20-N23 PolarHBondContact O-N 3.25Å; N23-T33 PolarHBondContact ND2-OG1 3.42Å; N23-T33 PolarHBondContact OD1-OG1 3Å; N23-F34 VanDerWaalsContact ND2-CB 3.29Å; N23-F34 WeakPolarHBondContact ND2-CB 3.14Å; N23-F34 PolarHBondContact ND2-N 2.92Å; N23-I114 HydrophobicContact CB-CG1 3.93Å
24	M	33.4	Very low	36.2	Very low	70 Å²	70	77.3 Å²	77.3	35%	0.345	42%	0.42	S	S	.	.			trans	-112.9	129.9	175.9	-62.7	-174.1	-69.3	0	0	111.4	T22 A26 N27	T22-M24 PolarHBondContact O-N 2.77Å; M24-A26 PolarHBondContact O-N 3.47Å; M24-N27 HydrophobicContact CE-CB 4.4Å; M24-N27 WeakPolarHBondContact CE-OD1 3.39Å
25	I	37	Very low	37.6	Very low	70 Å²	70	76.2 Å²	76.2	36%	0.359	41%	0.41	S	S	.	.	S	Bend	trans	-76.9	106.8	158.3	-61	172.7	0	0	0	106.1	N27 D28 T31 T33 Y112	I25-N27 PolarHBondContact O-N 3.13Å; I25-D28 PolarHBondContact O-N 3.15Å; I25-T31 PolarHBondContact N-OG1 3.29Å; I25-T31 PolarHBondContact O-OG1 3.48Å; I25-T31 VanDerWaalsContact O-OG1 3.13Å; I25-T33 HydrophobicContact CD1-CG2 3.8Å; I25-T33 HydrophobicContact CG1-CG2 4.26Å; I25-Y112 HydrophobicContact CD1-CE1 4.44Å; I25-Y112 HydrophobicContact CG1-CE1 3.75Å
26	A	36.1	Very low	38.5	Very low	92 Å²	92	70.1 Å²	70.1	76%	0.76	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	59.6	175.5	0	0	0	0	0	114.2	M24 D28	M24-A26 PolarHBondContact O-N 3.47Å; A26-D28 PolarHBondContact O-N 2.74Å
27	N	36.3	Very low	39.5	Very low	136 Å²	136	67.5 Å²	67.5	73%	0.727	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	13.1	173.6	-68.6	-10	0	0	0	117	M24 I25	M24-N27 HydrophobicContact CE-CB 4.4Å; M24-N27 WeakPolarHBondContact CE-OD1 3.39Å; I25-N27 PolarHBondContact O-N 3.13Å
28	D	40.4	Very low	40.4	Very low	71 Å²	71	65.8 Å²	65.8	38%	0.38	36%	0.355	S	S	.	.			trans	-98.8	108.8	177.8	-177.1	-4.9	0	0	0	110.1	I25 A26 N30 T31	I25-D28 PolarHBondContact O-N 3.15Å; A26-D28 PolarHBondContact O-N 2.74Å; D28-N30 PolarHBondContact O-N 3.31Å; D28-N30 VanDerWaalsContact O-N 3.15Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 2.67Å; D28-N30 PolarHBondContact OD1-ND2 3.34Å; D28-T31 HydrophobicContact CB-CG2 3.84Å; D28-T31 WeakPolarHBondContact O-CB 3.44Å; D28-T31 PolarHBondContact O-N 3Å; D28-T31 PolarHBondContact O-OG1 3.22Å
29	R	37.2	Very low	41.1	Very low	79 Å²	79	61.9 Å²	61.9	30%	0.298	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.3	-179.9	-60.7	-177	-171	159.9	7.3	114	E16 T31 N32	E16-R29 VanDerWaalsContact CD-NE 3.29Å; E16-R29 VanDerWaalsContact CD-NH2 3.28Å; E16-R29 IonicContact OE1-CZ 3.65Å; E16-R29 IonicContact OE1-NE 2.67Å; E16-R29 PolarHBondContact OE1-NE 2.59Å; E16-R29 IonicContact OE1-NH1 3.62Å; E16-R29 IonicContact OE1-NH2 3.81Å; E16-R29 PolarHBondContact OE1-NH2 3.46Å; R29-T31 PolarHBondContact O-N 3.34Å; R29-N32 PolarHBondContact O-OD1 3.31Å
30	N	42	Very low	41.8	Very low	128 Å²	128	61.2 Å²	61.2	68%	0.684	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-76.3	-11.1	175	-63.7	-48.3	0	0	0	112.6	D28 K49	D28-N30 PolarHBondContact O-N 3.31Å; D28-N30 VanDerWaalsContact O-N 3.15Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 2.67Å; D28-N30 PolarHBondContact OD1-ND2 3.34Å; N30-K49 PolarHBondContact O-NZ 2.81Å
31	T	42.1	Very low	42.4	Very low	39 Å²	39	64.6 Å²	64.6	24%	0.239	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-96.9	8.4	-178.5	70.8	0	0	0	0	113.9	I25 D28 R29 T33	I25-T31 PolarHBondContact N-OG1 3.29Å; I25-T31 PolarHBondContact O-OG1 3.48Å; I25-T31 VanDerWaalsContact O-OG1 3.13Å; D28-T31 HydrophobicContact CB-CG2 3.84Å; D28-T31 WeakPolarHBondContact O-CB 3.44Å; D28-T31 PolarHBondContact O-N 3Å; D28-T31 PolarHBondContact O-OG1 3.22Å; R29-T31 PolarHBondContact O-N 3.34Å; T31-T33 PolarHBondContact O-N 3.46Å; T31-T33 VanDerWaalsContact O-N 3.13Å
32	N	43.9	Very low	42.9	Very low	45 Å²	45	60 Å²	60	24%	0.241	33%	0.327	C	S	.	.			trans	-48.2	120.9	179.1	-75.3	-0.5	0	0	0	111.7	Y19 R29 K49	Y19-N32 WeakPolarHBondContact CD1-ND2 3.41Å; Y19-N32 WeakPolarHBondContact CE1-ND2 3.39Å; R29-N32 PolarHBondContact O-OD1 3.31Å; N32-K49 WeakPolarHBondContact O-CD 3.39Å
33	T	52.5	Low	43.6	Very low	7 Å²	7	57.9 Å²	57.9	4%	0.043	31%	0.311	C	S	.	.			trans	-90.3	-10.8	-178	56.5	0	0	0	0	112.8	N23 I25 T31 W48 K49	N23-T33 PolarHBondContact ND2-OG1 3.42Å; N23-T33 PolarHBondContact OD1-OG1 3Å; I25-T33 HydrophobicContact CD1-CG2 3.8Å; I25-T33 HydrophobicContact CG1-CG2 4.26Å; T31-T33 PolarHBondContact O-N 3.46Å; T31-T33 VanDerWaalsContact O-N 3.13Å; T33-W48 CarbonylContact O-C 3.45Å; T33-W48 WeakPolarHBondContact O-CA 3.48Å; T33-W48 WeakPolarHBondContact O-CB 3.34Å; T33-K49 PolarHBondContact O-N 2.93Å
34	F	48.4	Very low	44.4	Very low	14 Å²	14	57.6 Å²	57.6	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.4	-177.2	-177.1	-83.5	0	0	0	111.7	L20 N23 V36 M44 F46 E47 L61 I114	L20-F34 HydrophobicContact CD1-CB 3.71Å; L20-F34 HydrophobicContact CD1-CD1 3.29Å; L20-F34 HydrophobicContact CD1-CE1 4.16Å; L20-F34 HydrophobicContact CD1-CG 3.84Å; L20-F34 HydrophobicContact CD2-CD1 4.38Å; L20-F34 HydrophobicContact CD2-CE1 4.48Å; L20-F34 HydrophobicContact CG-CD1 4.28Å; N23-F34 VanDerWaalsContact ND2-CB 3.29Å; N23-F34 WeakPolarHBondContact ND2-CB 3.14Å; N23-F34 PolarHBondContact ND2-N 2.92Å; F34-V36 HydrophobicContact CE1-CG2 3.78Å; F34-V36 HydrophobicContact CZ-CG2 4.5Å; F34-M44 HydrophobicContact CZ-SD 4.5Å; F34-F46 HydrophobicContact CD2-CB 4.39Å; F34-F46 AromaticContact CD2-CD2 3.7Å; F34-F46 HydrophobicContact CD2-CD2 3.7Å; F34-F46 HydrophobicContact CD2-CE2 4.2Å; F34-F46 HydrophobicContact CD2-CG 4.2Å; F34-F46 HydrophobicContact CE1-CB 4.08Å; F34-F46 HydrophobicContact CE2-CB 3.59Å; F34-F46 AromaticContact CE2-CD1 3.94Å; F34-F46 HydrophobicContact CE2-CD1 3.94Å; F34-F46 AromaticContact CE2-CD2 3.15Å; F34-F46 HydrophobicContact CE2-CD2 3.15Å; F34-F46 HydrophobicContact CE2-CE1 4.39Å; F34-F46 AromaticContact CE2-CE2 3.66Å; F34-F46 HydrophobicContact CE2-CE2 3.66Å; F34-F46 AromaticContact CE2-CG 3.28Å; F34-F46 HydrophobicContact CE2-CG 3.28Å; F34-F46 HydrophobicContact CE2-CZ 4.25Å; F34-F46 HydrophobicContact CZ-CB 3.43Å; F34-F46 VanDerWaalsContact CZ-CB 3.43Å; F34-F46 HydrophobicContact CZ-CD1 4.06Å; F34-F46 AromaticContact CZ-CD2 3.93Å; F34-F46 HydrophobicContact CZ-CD2 3.93Å; F34-F46 AromaticContact CZ-CG 3.56Å; F34-F46 HydrophobicContact CZ-CG 3.56Å; F34-E47 CarbonylContact C-O 3.56Å; F34-E47 WeakPolarHBondContact CA-O 3.34Å; F34-L61 HydrophobicContact CD2-CD1 3.89Å; F34-L61 HydrophobicContact CD2-CD2 4.44Å; F34-L61 HydrophobicContact CE2-CD1 3.57Å; F34-L61 HydrophobicContact CE2-CD2 3.36Å; F34-L61 HydrophobicContact CE2-CG 4.07Å; F34-L61 HydrophobicContact CZ-CD1 4.3Å; F34-L61 HydrophobicContact CZ-CD2 3.66Å; F34-I114 HydrophobicContact CB-CD1 4.03Å; F34-I114 HydrophobicContact CD2-CD1 4.23Å; F34-I114 HydrophobicContact CG-CD1 4.08Å
35	R	55.8	Low	45.3	Very low	119 Å²	119	54.7 Å²	54.7	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.2	179.6	177	-176.5	-178	-170.4	0.4	110.1	I37 F46 E47	R35-I37 PolarHBondContact O-N 3.42Å; R35-F46 CarbonylContact O-C 3.51Å; R35-F46 WeakPolarHBondContact O-CA 3.3Å; R35-F46 WeakPolarHBondContact O-CB 3.42Å; R35-E47 HydrophobicContact CB-CB 4.34Å; R35-E47 PolarHBondContact N-O 2.81Å; R35-E47 IonicContact NH1-OE2 3.21Å; R35-E47 PolarHBondContact O-N 2.83Å; R35-E47 VanDerWaalsContact O-O 3.11Å
36	V	49.8	Very low	46.1	Very low	18 Å²	18	51.5 Å²	51.5	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.9	171.6	-179.2	0	0	0	0	110.1	F34 M44 Y116 Q368	F34-V36 HydrophobicContact CE1-CG2 3.78Å; F34-V36 HydrophobicContact CZ-CG2 4.5Å; V36-M44 HydrophobicContact CB-CG 4.44Å; V36-M44 HydrophobicContact CB-SD 4.37Å; V36-M44 HydrophobicContact CG1-CG 3.57Å; V36-M44 HydrophobicContact CG1-SD 4.04Å; V36-M44 HydrophobicContact CG2-CG 4.1Å; V36-M44 HydrophobicContact CG2-SD 3.43Å; V36-M44 WeakPolarHBondContact CG2-SD 2.82Å; V36-Y116 HydrophobicContact CB-CE2 4.21Å; V36-Y116 HydrophobicContact CG2-CD2 3.88Å; V36-Y116 HydrophobicContact CG2-CE2 3.59Å; V36-Q368 PolarHBondContact O-NE2 2.61Å
37	I	47.3	Very low	46.7	Very low	35 Å²	35	50.7 Å²	50.7	18%	0.179	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-44.3	178	-56.2	170.1	0	0	0	109.8	R35 A45 F46 E47 M80 Q368 Q370	R35-I37 PolarHBondContact O-N 3.42Å; I37-A45 HydrophobicContact CB-CB 4.48Å; I37-A45 PolarHBondContact N-O 3.13Å; I37-F46 VanDerWaalsContact CD1-C 3.45Å; I37-F46 WeakPolarHBondContact CD1-O 3.46Å; I37-E47 HydrophobicContact CD1-CB 3.73Å; I37-E47 HydrophobicContact CG1-CB 3.69Å; I37-M80 HydrophobicContact CD1-CB 4.41Å; I37-M80 HydrophobicContact CD1-CG 3.82Å; I37-M80 HydrophobicContact CD1-SD 3.54Å; I37-M80 VanDerWaalsContact CD1-SD 3.54Å; I37-Q368 PolarHBondContact O-NE2 3.29Å; I37-Q368 PolarHBondContact O-OE1 3.44Å; I37-Q368 VanDerWaalsContact O-OE1 3.06Å; I37-Q370 PolarHBondContact O-NE2 2.8Å
38	Q	44.5	Very low	47.7	Very low	57 Å²	57	44.7 Å²	44.7	27%	0.266	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	137.9	-176.7	-171.7	179	14.8	0	0	110.4	Q40 M44 A45	Q38-Q40 HydrophobicContact CG-CG 4.24Å; Q38-M44 CarbonylContact O-C 3.6Å; Q38-M44 WeakPolarHBondContact O-CA 3.5Å; Q38-A45 HydrophobicContact CB-CB 4.06Å; Q38-A45 PolarHBondContact N-O 2.89Å; Q38-A45 PolarHBondContact O-N 3.32Å
39	E	44	Very low	48.6	Very low	18 Å²	18	46.6 Å²	46.6	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.2	168.3	-169.4	-177.3	159.1	0	0	109.7	Y116 R118	E39-Y116 WeakPolarHBondContact OE2-CE1 3.37Å; E39-Y116 PolarHBondContact OE2-OH 3.11Å; E39-R118 IonicContact OE1-CZ 3.36Å; E39-R118 VanDerWaalsContact OE1-CZ 3.31Å; E39-R118 IonicContact OE1-NE 2.76Å; E39-R118 PolarHBondContact OE1-NE 3.43Å; E39-R118 IonicContact OE1-NH2 2.97Å; E39-R118 PolarHBondContact OE1-NH2 2.61Å
40	Q	44.6	Very low	49.3	Very low	47 Å²	47	46.1 Å²	46.1	22%	0.22	24%	0.239	C	C	.	.			trans	-127.6	176.2	175.2	-58.2	-170.4	2	0	0	110.8	Q38 A42 F43 M208	Q38-Q40 HydrophobicContact CG-CG 4.24Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.19Å; Q40-F43 WeakPolarHBondContact CA-O 3Å; Q40-F43 WeakPolarHBondContact CB-O 3.18Å; Q40-F43 PolarHBondContact N-O 3.44Å; Q40-M208 PolarHBondContact NE2-SD 2.84Å; Q40-M208 PolarHBondContact OE1-SD 2.84Å
41	T	45.5	Very low	49.9	Very low	90 Å²	90	40.4 Å²	40.4	55%	0.552	21%	0.209	S	C	*	.	S	Bend	trans	-54	-46.1	-176	-41.2	0	0	0	0	112.5	R121	T41-R121 PolarHBondContact O-NH2 3.42Å
42	A	49.4	Very low	50.7	Low	44 Å²	44	43.6 Å²	43.6	36%	0.364	24%	0.239	S	C	.	.	S	Bend	trans	-105.6	-19.8	-178	0	0	0	0	0	113.9	Q40 E84 A85	Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.19Å; A42-E84 WeakPolarHBondContact O-CA 3.2Å; A42-E84 WeakPolarHBondContact O-CG 3.37Å; A42-A85 PolarHBondContact O-N 2.77Å
43	F	49.5	Very low	51.2	Low	31 Å²	31	44.4 Å²	44.4	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.7	-168.8	-60.6	-75.6	0	0	0	113.1	Q40 L82 L83	Q40-F43 WeakPolarHBondContact CA-O 3Å; Q40-F43 WeakPolarHBondContact CB-O 3.18Å; Q40-F43 PolarHBondContact N-O 3.44Å; F43-L82 HydrophobicContact CB-CD1 4.31Å; F43-L82 HydrophobicContact CB-CD2 3.74Å; F43-L82 HydrophobicContact CB-CG 4.01Å; F43-L82 HydrophobicContact CD1-CD2 3.39Å; F43-L82 HydrophobicContact CD1-CG 4.35Å; F43-L82 HydrophobicContact CD2-CD2 4.5Å; F43-L82 HydrophobicContact CE1-CD2 4.15Å; F43-L82 HydrophobicContact CG-CD2 3.61Å; F43-L82 HydrophobicContact CG-CG 4.42Å; F43-L83 CarbonylContact C-O 3.56Å; F43-L83 VanDerWaalsContact CA-O 3.32Å; F43-L83 WeakPolarHBondContact CA-O 3.18Å
44	M	53.4	Low	51.7	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117	171.2	-176.3	-169.9	-57.6	0	0	108.8	F34 V36 Q38 L82 L83 Y116	F34-M44 HydrophobicContact CZ-SD 4.5Å; V36-M44 HydrophobicContact CB-CG 4.44Å; V36-M44 HydrophobicContact CB-SD 4.37Å; V36-M44 HydrophobicContact CG1-CG 3.57Å; V36-M44 HydrophobicContact CG1-SD 4.04Å; V36-M44 HydrophobicContact CG2-CG 4.1Å; V36-M44 HydrophobicContact CG2-SD 3.43Å; V36-M44 WeakPolarHBondContact CG2-SD 2.82Å; Q38-M44 CarbonylContact O-C 3.6Å; Q38-M44 WeakPolarHBondContact O-CA 3.5Å; M44-L82 CarbonylContact O-C 3.46Å; M44-L82 WeakPolarHBondContact O-CA 3.41Å; M44-L83 PolarHBondContact N-O 3.33Å; M44-L83 PolarHBondContact O-N 3.23Å; M44-Y116 HydrophobicContact CE-CD1 3.38Å; M44-Y116 HydrophobicContact CE-CE1 3.29Å; M44-Y116 HydrophobicContact CE-CG 4.2Å; M44-Y116 HydrophobicContact SD-CD1 4.42Å; M44-Y116 HydrophobicContact SD-CE1 4.36Å
45	A	51	Low	52.2	Low	8 Å²	8	55.9 Å²	55.9	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.2	166.4	0	0	0	0	0	109.5	I37 Q38 G81 L82	I37-A45 HydrophobicContact CB-CB 4.48Å; I37-A45 PolarHBondContact N-O 3.13Å; Q38-A45 HydrophobicContact CB-CB 4.06Å; Q38-A45 PolarHBondContact N-O 2.89Å; Q38-A45 PolarHBondContact O-N 3.32Å; A45-G81 WeakPolarHBondContact CA-O 3.38Å; A45-L82 HydrophobicContact CB-CD1 4.13Å
46	F	53.9	Low	52.2	Low	3 Å²	3	51.7 Å²	51.7	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.9	-177.8	63.6	-93	0	0	0	111.5	F34 R35 I37 L61 A73 V75 M80 G81 L83	F34-F46 HydrophobicContact CD2-CB 4.39Å; F34-F46 AromaticContact CD2-CD2 3.7Å; F34-F46 HydrophobicContact CD2-CD2 3.7Å; F34-F46 HydrophobicContact CD2-CE2 4.2Å; F34-F46 HydrophobicContact CD2-CG 4.2Å; F34-F46 HydrophobicContact CE1-CB 4.08Å; F34-F46 HydrophobicContact CE2-CB 3.59Å; F34-F46 AromaticContact CE2-CD1 3.94Å; F34-F46 HydrophobicContact CE2-CD1 3.94Å; F34-F46 AromaticContact CE2-CD2 3.15Å; F34-F46 HydrophobicContact CE2-CD2 3.15Å; F34-F46 HydrophobicContact CE2-CE1 4.39Å; F34-F46 AromaticContact CE2-CE2 3.66Å; F34-F46 HydrophobicContact CE2-CE2 3.66Å; F34-F46 AromaticContact CE2-CG 3.28Å; F34-F46 HydrophobicContact CE2-CG 3.28Å; F34-F46 HydrophobicContact CE2-CZ 4.25Å; F34-F46 HydrophobicContact CZ-CB 3.43Å; F34-F46 VanDerWaalsContact CZ-CB 3.43Å; F34-F46 HydrophobicContact CZ-CD1 4.06Å; F34-F46 AromaticContact CZ-CD2 3.93Å; F34-F46 HydrophobicContact CZ-CD2 3.93Å; F34-F46 AromaticContact CZ-CG 3.56Å; F34-F46 HydrophobicContact CZ-CG 3.56Å; R35-F46 CarbonylContact O-C 3.51Å; R35-F46 WeakPolarHBondContact O-CA 3.3Å; R35-F46 WeakPolarHBondContact O-CB 3.42Å; I37-F46 VanDerWaalsContact CD1-C 3.45Å; I37-F46 WeakPolarHBondContact CD1-O 3.46Å; F46-L61 HydrophobicContact CD1-CD2 4.07Å; F46-L61 HydrophobicContact CE1-CD2 3.68Å; F46-L61 HydrophobicContact CE2-CD2 4.32Å; F46-L61 HydrophobicContact CZ-CB 4Å; F46-L61 HydrophobicContact CZ-CD2 3.8Å; F46-A73 HydrophobicContact CE1-CB 4.27Å; F46-A73 HydrophobicContact CZ-CB 4.28Å; F46-V75 HydrophobicContact CE2-CG2 3.62Å; F46-V75 HydrophobicContact CZ-CG2 3.48Å; F46-V75 VanDerWaalsContact CZ-CG2 3.48Å; F46-M80 CarbonylContact O-C 3.01Å; F46-M80 WeakPolarHBondContact O-CA 3.35Å; F46-M80 WeakPolarHBondContact O-CB 3.44Å; F46-G81 VanDerWaalsContact CD1-O 3.28Å; F46-G81 WeakPolarHBondContact CD1-O 3.18Å; F46-G81 PolarHBondContact N-O 3.25Å; F46-G81 PolarHBondContact O-N 3.33Å; F46-L83 HydrophobicContact CE1-CB 4.07Å
47	E	50	Low	52.5	Low	75 Å²	75	53.6 Å²	53.6	35%	0.35	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	150.1	169.4	-169.1	-178.6	-166.1	0	0	107.9	F34 R35 I37 N79 M80	F34-E47 CarbonylContact C-O 3.56Å; F34-E47 WeakPolarHBondContact CA-O 3.34Å; R35-E47 HydrophobicContact CB-CB 4.34Å; R35-E47 PolarHBondContact N-O 2.81Å; R35-E47 IonicContact NH1-OE2 3.21Å; R35-E47 PolarHBondContact O-N 2.83Å; R35-E47 VanDerWaalsContact O-O 3.11Å; I37-E47 HydrophobicContact CD1-CB 3.73Å; I37-E47 HydrophobicContact CG1-CB 3.69Å; E47-N79 CarbonylContact C-O 3.44Å; E47-N79 VanDerWaalsContact C-O 3.32Å; E47-N79 WeakPolarHBondContact CA-O 3.45Å; E47-N79 HydrophobicContact CG-CB 4.43Å; E47-N79 VanDerWaalsContact CG-O 3.22Å; E47-N79 WeakPolarHBondContact CG-O 3.48Å; E47-M80 HydrophobicContact CB-CG 4.38Å; E47-M80 HydrophobicContact CG-CG 4.25Å
48	W	56.6	Low	52.9	Low	10 Å²	10	52.4 Å²	52.4	4%	0.038	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.4	177.8	100.1	-76.8	0	0	0	110.1	T33 P50 M51 F56 V59 G78 N79	T33-W48 CarbonylContact O-C 3.45Å; T33-W48 WeakPolarHBondContact O-CA 3.48Å; T33-W48 WeakPolarHBondContact O-CB 3.34Å; W48-P50 HydrophobicContact CH2-CB 4.48Å; W48-P50 VanDerWaalsContact CZ2-CA 3.45Å; W48-P50 HydrophobicContact CZ2-CB 4.32Å; W48-M51 HydrophobicContact CH2-CB 4.21Å; W48-M51 HydrophobicContact CH2-CG 3.68Å; W48-M51 HydrophobicContact CZ3-CB 4.36Å; W48-M51 HydrophobicContact CZ3-CE 4.21Å; W48-M51 HydrophobicContact CZ3-CG 3.48Å; W48-M51 VanDerWaalsContact CZ3-CG 3.48Å; W48-F56 HydrophobicContact CH2-CD1 4.49Å; W48-F56 HydrophobicContact CH2-CD2 4.44Å; W48-F56 AromaticContact CH2-CE1 3.71Å; W48-F56 HydrophobicContact CH2-CE1 3.71Å; W48-F56 AromaticContact CH2-CE2 3.62Å; W48-F56 HydrophobicContact CH2-CE2 3.62Å; W48-F56 AromaticContact CH2-CZ 3.24Å; W48-F56 HydrophobicContact CH2-CZ 3.24Å; W48-F56 AromaticContact CZ2-CE1 3.43Å; W48-F56 HydrophobicContact CZ2-CE1 3.43Å; W48-F56 VanDerWaalsContact CZ2-CE1 3.43Å; W48-F56 AromaticContact CZ2-CE2 3.96Å; W48-F56 HydrophobicContact CZ2-CE2 3.96Å; W48-F56 AromaticContact CZ2-CZ 3.09Å; W48-F56 HydrophobicContact CZ2-CZ 3.09Å; W48-V59 HydrophobicContact CD2-CG2 4.27Å; W48-V59 HydrophobicContact CE3-CG2 3.98Å; W48-V59 HydrophobicContact CH2-CB 4.38Å; W48-V59 HydrophobicContact CH2-CG2 3.17Å; W48-V59 HydrophobicContact CZ2-CB 4.41Å; W48-V59 HydrophobicContact CZ2-CG2 3.56Å; W48-V59 HydrophobicContact CZ3-CG2 3.44Å; W48-V59 VanDerWaalsContact CZ3-CG2 3.44Å; W48-G78 PolarHBondContact NE1-O 3.33Å; W48-N79 PolarHBondContact N-O 3.19Å; W48-N79 WeakPolarHBondContact O-CA 3.39Å; W48-N79 WeakPolarHBondContact O-CB 3.19Å
49	K	59.5	Low	53.4	Low	111 Å²	111	50 Å²	50	48%	0.483	27%	0.271	S	S	.	.			trans	-92.9	129.4	174.4	-71.1	-172.1	-177.9	176.4	0	110.1	N30 N32 T33 M51	N30-K49 PolarHBondContact O-NZ 2.81Å; N32-K49 WeakPolarHBondContact O-CD 3.39Å; T33-K49 PolarHBondContact O-N 2.93Å; K49-M51 PolarHBondContact O-N 2.86Å
50	P	51.6	Low	54.1	Low	69 Å²	69	51.3 Å²	51.3	45%	0.448	28%	0.277	S	S	.	.			trans	-45.5	132.6	175.2	-30.7	36.8	0	0	0	113.9	W48 N79	W48-P50 HydrophobicContact CH2-CB 4.48Å; W48-P50 VanDerWaalsContact CZ2-CA 3.45Å; W48-P50 HydrophobicContact CZ2-CB 4.32Å; P50-N79 WeakPolarHBondContact CD-OD1 3.41Å; P50-N79 WeakPolarHBondContact CG-OD1 3.38Å
51	M	55.5	Low	54.7	Low	8 Å²	8	49.1 Å²	49.1	4%	0.039	27%	0.267	C	S	.	.			trans	-65.4	134.8	173.7	-62	-173.4	-177.2	0	0	108.5	W48 K49 H53 F56 V59 A97 F109 Q110 Y112	W48-M51 HydrophobicContact CH2-CB 4.21Å; W48-M51 HydrophobicContact CH2-CG 3.68Å; W48-M51 HydrophobicContact CZ3-CB 4.36Å; W48-M51 HydrophobicContact CZ3-CE 4.21Å; W48-M51 HydrophobicContact CZ3-CG 3.48Å; W48-M51 VanDerWaalsContact CZ3-CG 3.48Å; K49-M51 PolarHBondContact O-N 2.86Å; M51-H53 PolarHBondContact O-N 2.9Å; M51-F56 HydrophobicContact CB-CD2 4.16Å; M51-F56 HydrophobicContact CB-CG 4.39Å; M51-F56 HydrophobicContact CG-CD2 4.47Å; M51-V59 HydrophobicContact CE-CG2 3.77Å; M51-V59 HydrophobicContact SD-CG2 4.47Å; M51-A97 HydrophobicContact CE-CB 4.42Å; M51-F109 HydrophobicContact SD-CE2 3.94Å; M51-F109 HydrophobicContact SD-CZ 3.92Å; M51-Q110 HydrophobicContact SD-CB 4.09Å; M51-Y112 HydrophobicContact CE-CD2 3.46Å; M51-Y112 VanDerWaalsContact CE-CD2 3.46Å; M51-Y112 HydrophobicContact CE-CE2 3.48Å; M51-Y112 VanDerWaalsContact CE-CE2 3.48Å; M51-Y112 HydrophobicContact CG-CE2 4.2Å; M51-Y112 HydrophobicContact SD-CD2 4.37Å; M51-Y112 HydrophobicContact SD-CE2 3.79Å
52	A	57.1	Low	55.3	Low	106 Å²	106	45.1 Å²	45.1	88%	0.876	24%	0.242	S	C	*	.	S	Bend	trans	-74.6	70.4	173.9	0	0	0	0	0	110.6
53	H	56	Low	55.7	Low	63 Å²	63	43 Å²	43	29%	0.292	22%	0.224	S	C	.	.			trans	-130.9	130.4	173.8	-168.6	-85.9	0	0	0	110	M51 D55 F56 F109	M51-H53 PolarHBondContact O-N 2.9Å; H53-D55 IonicContact CE1-OD2 2.77Å; H53-D55 PolarHBondContact ND1-N 3.32Å; H53-D55 PolarHBondContact O-N 2.92Å; H53-D55 VanDerWaalsContact O-N 3.1Å; H53-F56 HydrophobicContact CB-CB 4.18Å; H53-F56 WeakPolarHBondContact O-CB 3.4Å; H53-F56 PolarHBondContact O-N 2.88Å; H53-F109 HydrophobicContact CB-CD2 4.18Å; H53-F109 HydrophobicContact CB-CE2 3.48Å; H53-F109 VanDerWaalsContact CB-CE2 3.48Å; H53-F109 HydrophobicContact CB-CZ 3.77Å; H53-F109 AromaticContact CD2-CD2 3.71Å; H53-F109 AromaticContact CD2-CE2 3.92Å; H53-F109 AromaticContact CG-CD2 3.77Å; H53-F109 AromaticContact CG-CE2 3.57Å; H53-F109 AromaticContact CG-CZ 3.97Å
54	K	62.5	Low	56.2	Low	187 Å²	187	44.7 Å²	44.7	81%	0.813	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	-174.5	61.4	173.6	-174.2	176.7	0	114.4
55	D	59	Low	56.4	Low	75 Å²	75	46.2 Å²	46.2	40%	0.401	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	14.2	-179.2	-50.4	-50.9	0	0	0	112.1	H53 N57 N101	H53-D55 IonicContact CE1-OD2 2.77Å; H53-D55 PolarHBondContact ND1-N 3.32Å; H53-D55 PolarHBondContact O-N 2.92Å; H53-D55 VanDerWaalsContact O-N 3.1Å; D55-N57 PolarHBondContact O-N 2.83Å; D55-N101 HydrophobicContact CB-CB 3.98Å; D55-N101 VanDerWaalsContact O-CA 3.28Å; D55-N101 WeakPolarHBondContact O-CA 3.31Å; D55-N101 VanDerWaalsContact O-CB 3.26Å; D55-N101 WeakPolarHBondContact O-CB 3.44Å
56	F	55.2	Low	56.6	Low	30 Å²	30	55.2 Å²	55.2	13%	0.132	28%	0.278	C	S	.	.			trans	-63.6	131.6	178.4	176	-105.5	0	0	0	110.8	W48 M51 H53 Y58 V59 F109	W48-F56 HydrophobicContact CH2-CD1 4.49Å; W48-F56 HydrophobicContact CH2-CD2 4.44Å; W48-F56 AromaticContact CH2-CE1 3.71Å; W48-F56 HydrophobicContact CH2-CE1 3.71Å; W48-F56 AromaticContact CH2-CE2 3.62Å; W48-F56 HydrophobicContact CH2-CE2 3.62Å; W48-F56 AromaticContact CH2-CZ 3.24Å; W48-F56 HydrophobicContact CH2-CZ 3.24Å; W48-F56 AromaticContact CZ2-CE1 3.43Å; W48-F56 HydrophobicContact CZ2-CE1 3.43Å; W48-F56 VanDerWaalsContact CZ2-CE1 3.43Å; W48-F56 AromaticContact CZ2-CE2 3.96Å; W48-F56 HydrophobicContact CZ2-CE2 3.96Å; W48-F56 AromaticContact CZ2-CZ 3.09Å; W48-F56 HydrophobicContact CZ2-CZ 3.09Å; M51-F56 HydrophobicContact CB-CD2 4.16Å; M51-F56 HydrophobicContact CB-CG 4.39Å; M51-F56 HydrophobicContact CG-CD2 4.47Å; H53-F56 HydrophobicContact CB-CB 4.18Å; H53-F56 WeakPolarHBondContact O-CB 3.4Å; H53-F56 PolarHBondContact O-N 2.88Å; F56-Y58 VanDerWaalsContact CE2-O 3.27Å; F56-Y58 WeakPolarHBondContact CE2-O 3.47Å; F56-V59 HydrophobicContact CE2-CB 4.45Å; F56-V59 HydrophobicContact CE2-CG2 3.38Å; F56-V59 HydrophobicContact CZ-CG2 3.64Å; F56-F109 HydrophobicContact CB-CZ 4.31Å; F56-F109 HydrophobicContact CD2-CE1 4.2Å; F56-F109 AromaticContact CD2-CZ 3.79Å; F56-F109 HydrophobicContact CD2-CZ 3.79Å
57	N	57.5	Low	56.3	Low	58 Å²	58	63.6 Å²	63.6	31%	0.31	31%	0.314	S	S	.	.			trans	-127.7	-45.5	179	-169	-45.4	0	0	0	111.9	D55 E77 H100	D55-N57 PolarHBondContact O-N 2.83Å; N57-E77 PolarHBondContact O-N 2.72Å; N57-H100 PolarHBondContact N-O 2.73Å
58	Y	54.8	Low	56.3	Low	11 Å²	11	69.7 Å²	69.7	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158	177.1	59.9	-91.9	0	0	0	111.3	F56 F60 K74 V75 Y76 H100 F106	F56-Y58 VanDerWaalsContact CE2-O 3.27Å; F56-Y58 WeakPolarHBondContact CE2-O 3.47Å; Y58-F60 HydrophobicContact CD2-CD2 4.4Å; Y58-F60 HydrophobicContact CD2-CE2 4.27Å; Y58-F60 HydrophobicContact CD2-CZ 4.47Å; Y58-F60 AromaticContact CE2-CD2 3.9Å; Y58-F60 HydrophobicContact CE2-CD2 3.9Å; Y58-F60 AromaticContact CE2-CE2 3.45Å; Y58-F60 HydrophobicContact CE2-CE2 3.45Å; Y58-F60 VanDerWaalsContact CE2-CE2 3.45Å; Y58-F60 AromaticContact CE2-CZ 3.8Å; Y58-F60 HydrophobicContact CE2-CZ 3.8Å; Y58-K74 HydrophobicContact CD2-CD 4.22Å; Y58-K74 HydrophobicContact CD2-CG 4.02Å; Y58-K74 HydrophobicContact CG-CG 4.42Å; Y58-V75 CarbonylContact C-O 3.16Å; Y58-V75 VanDerWaalsContact CA-O 3.23Å; Y58-V75 WeakPolarHBondContact CA-O 3.29Å; Y58-V75 WeakPolarHBondContact CB-O 3.43Å; Y58-Y76 HydrophobicContact CD1-CE1 4.38Å; Y58-H100 HydrophobicContact CD2-CB 4.02Å; Y58-H100 HydrophobicContact CE1-CB 4.05Å; Y58-H100 HydrophobicContact CE2-CB 3.4Å; Y58-H100 VanDerWaalsContact CE2-CB 3.4Å; Y58-H100 AromaticContact CE2-CD2 3.91Å; Y58-H100 AromaticContact CE2-CG 3.69Å; Y58-H100 VanDerWaalsContact CZ-CB 3.4Å; Y58-H100 AromaticContact CZ-CG 3.98Å; Y58-H100 PolarHBondContact O-N 2.87Å; Y58-H100 VanDerWaalsContact O-N 3.1Å; Y58-F106 VanDerWaalsContact OH-CD1 3.3Å; Y58-F106 WeakPolarHBondContact OH-CD1 3.2Å; Y58-F106 WeakPolarHBondContact OH-CE1 3.46Å
59	V	55	Low	56.3	Low	5 Å²	5	74.1 Å²	74.1	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.2	169.4	171.8	0	0	0	0	109.4	W48 M51 F56 V75 A97 E98	W48-V59 HydrophobicContact CD2-CG2 4.27Å; W48-V59 HydrophobicContact CE3-CG2 3.98Å; W48-V59 HydrophobicContact CH2-CB 4.38Å; W48-V59 HydrophobicContact CH2-CG2 3.17Å; W48-V59 HydrophobicContact CZ2-CB 4.41Å; W48-V59 HydrophobicContact CZ2-CG2 3.56Å; W48-V59 HydrophobicContact CZ3-CG2 3.44Å; W48-V59 VanDerWaalsContact CZ3-CG2 3.44Å; M51-V59 HydrophobicContact CE-CG2 3.77Å; M51-V59 HydrophobicContact SD-CG2 4.47Å; F56-V59 HydrophobicContact CE2-CB 4.45Å; F56-V59 HydrophobicContact CE2-CG2 3.38Å; F56-V59 HydrophobicContact CZ-CG2 3.64Å; V59-V75 PolarHBondContact N-O 3.32Å; V59-V75 PolarHBondContact O-N 2.8Å; V59-A97 HydrophobicContact CG1-CB 3.86Å; V59-E98 CarbonylContact C-O 3.51Å; V59-E98 VanDerWaalsContact CA-O 3.3Å; V59-E98 WeakPolarHBondContact CA-O 2.98Å
60	F	58	Low	56	Low	47 Å²	47	72.4 Å²	72.4	21%	0.206	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.9	155.1	-72.5	-61.8	0	0	0	108.8	Y58 V62 T72 A73 K74 A97 E98 H100	Y58-F60 HydrophobicContact CD2-CD2 4.4Å; Y58-F60 HydrophobicContact CD2-CE2 4.27Å; Y58-F60 HydrophobicContact CD2-CZ 4.47Å; Y58-F60 AromaticContact CE2-CD2 3.9Å; Y58-F60 HydrophobicContact CE2-CD2 3.9Å; Y58-F60 AromaticContact CE2-CE2 3.45Å; Y58-F60 HydrophobicContact CE2-CE2 3.45Å; Y58-F60 VanDerWaalsContact CE2-CE2 3.45Å; Y58-F60 AromaticContact CE2-CZ 3.8Å; Y58-F60 HydrophobicContact CE2-CZ 3.8Å; F60-V62 HydrophobicContact CB-CG2 3.77Å; F60-V62 PolarHBondContact O-N 2.85Å; F60-T72 HydrophobicContact CB-CG2 3.82Å; F60-T72 HydrophobicContact CD1-CG2 3.21Å; F60-T72 HydrophobicContact CE1-CG2 3.88Å; F60-T72 HydrophobicContact CG-CG2 3.73Å; F60-A73 CarbonylContact C-O 3.16Å; F60-A73 WeakPolarHBondContact CA-O 3.17Å; F60-K74 HydrophobicContact CD1-CB 3.77Å; F60-K74 HydrophobicContact CD1-CG 3.96Å; F60-K74 HydrophobicContact CE1-CB 3.63Å; F60-K74 HydrophobicContact CE1-CD 3.77Å; F60-K74 HydrophobicContact CE1-CG 3.66Å; F60-K74 HydrophobicContact CZ-CD 4.14Å; F60-K74 HydrophobicContact CZ-CG 4.38Å; F60-A97 CarbonylContact O-C 3.44Å; F60-A97 WeakPolarHBondContact O-CA 3.12Å; F60-E98 HydrophobicContact CB-CB 4.41Å; F60-E98 PolarHBondContact N-O 2.81Å; F60-E98 PolarHBondContact O-N 3.44Å; F60-H100 AromaticContact CD2-CD2 3.43Å; F60-H100 VanDerWaalsContact CD2-CD2 3.43Å; F60-H100 WeakPolarHBondContact CD2-CD2 3.22Å; F60-H100 AromaticContact CD2-NE2 3.38Å; F60-H100 WeakPolarHBondContact CD2-NE2 3.38Å; F60-H100 AromaticContact CE2-CD2 3.95Å; F60-H100 AromaticContact CE2-NE2 3.91Å
61	L	57.5	Low	56.2	Low	1 Å²	1	71 Å²	71	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.9	158.9	-168.3	77.7	0	0	0	106.5	F34 F46 T72 A73 L83 Y95 A97 I114	F34-L61 HydrophobicContact CD2-CD1 3.89Å; F34-L61 HydrophobicContact CD2-CD2 4.44Å; F34-L61 HydrophobicContact CE2-CD1 3.57Å; F34-L61 HydrophobicContact CE2-CD2 3.36Å; F34-L61 HydrophobicContact CE2-CG 4.07Å; F34-L61 HydrophobicContact CZ-CD1 4.3Å; F34-L61 HydrophobicContact CZ-CD2 3.66Å; F46-L61 HydrophobicContact CD1-CD2 4.07Å; F46-L61 HydrophobicContact CE1-CD2 3.68Å; F46-L61 HydrophobicContact CE2-CD2 4.32Å; F46-L61 HydrophobicContact CZ-CB 4Å; F46-L61 HydrophobicContact CZ-CD2 3.8Å; L61-T72 WeakPolarHBondContact O-CA 3.32Å; L61-A73 HydrophobicContact CB-CB 4.41Å; L61-A73 PolarHBondContact N-O 2.98Å; L61-A73 PolarHBondContact O-N 2.87Å; L61-L83 HydrophobicContact CB-CD1 4.43Å; L61-L83 HydrophobicContact CD2-CB 4.27Å; L61-L83 HydrophobicContact CD2-CD1 4.07Å; L61-L83 HydrophobicContact CD2-CD2 4.17Å; L61-L83 HydrophobicContact CD2-CG 4.39Å; L61-L83 HydrophobicContact CG-CD1 4.42Å; L61-L83 WeakPolarHBondContact O-CD1 3.47Å; L61-Y95 HydrophobicContact CD2-CD1 4.31Å; L61-A97 HydrophobicContact CD1-CB 4.23Å; L61-I114 HydrophobicContact CD1-CD1 3.8Å
62	V	59.6	Low	56.2	Low	5 Å²	5	74.1 Å²	74.1	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	178.5	-178.7	0	0	0	0	107.4	F60 D70 T72 Y95 R96 E98	F60-V62 HydrophobicContact CB-CG2 3.77Å; F60-V62 PolarHBondContact O-N 2.85Å; V62-D70 HydrophobicContact CG1-CB 3.51Å; V62-T72 HydrophobicContact CG2-CG2 3.97Å; V62-Y95 CarbonylContact O-C 3.54Å; V62-Y95 VanDerWaalsContact O-CA 3.3Å; V62-Y95 WeakPolarHBondContact O-CA 3.38Å; V62-R96 HydrophobicContact CB-CG 3.56Å; V62-R96 HydrophobicContact CG1-CG 4.08Å; V62-R96 HydrophobicContact CG2-CG 4.46Å; V62-R96 PolarHBondContact N-O 2.72Å; V62-R96 PolarHBondContact O-N 2.89Å; V62-E98 HydrophobicContact CG2-CG 4.41Å; V62-E98 WeakPolarHBondContact CG2-OE1 3.44Å
63	Q	56	Low	56.1	Low	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.3	179.7	180	-174.6	48.2	0	0	108.1	V65 V71 L83 E84 I86 Y95	Q63-V65 WeakPolarHBondContact O-CG2 2.86Å; Q63-V65 PolarHBondContact O-N 3.06Å; Q63-V71 HydrophobicContact CB-CB 4.35Å; Q63-V71 PolarHBondContact N-O 2.92Å; Q63-V71 PolarHBondContact O-N 2.95Å; Q63-L83 HydrophobicContact CB-CD1 4.45Å; Q63-L83 HydrophobicContact CB-CD2 3.94Å; Q63-L83 HydrophobicContact CG-CD2 4.21Å; Q63-E84 PolarHBondContact NE2-O 3.39Å; Q63-E84 PolarHBondContact OE1-O 2.69Å; Q63-I86 HydrophobicContact CG-CD1 3.35Å; Q63-I86 HydrophobicContact CG-CG1 3.89Å; Q63-I86 VanDerWaalsContact OE1-CG2 3.26Å; Q63-Y95 HydrophobicContact CB-CD1 3.86Å; Q63-Y95 HydrophobicContact CB-CE1 4.14Å; Q63-Y95 HydrophobicContact CG-CD1 3.81Å; Q63-Y95 HydrophobicContact CG-CE1 3.67Å; Q63-Y95 PolarHBondContact NE2-OH 2.93Å
64	D	61.7	Low	56.1	Low	66 Å²	66	68.6 Å²	68.6	35%	0.353	33%	0.33	S	S	.	.			trans	-74.1	109.9	-176.7	-70.1	-22	0	0	0	109.3	K94	D64-K94 PolarHBondContact N-O 3Å
65	V	57	Low	55.5	Low	33 Å²	33	60 Å²	60	20%	0.2	29%	0.293	C	S	.	.			trans	-105.6	106.6	178.3	-162.7	0	0	0	0	109.7	Q63 F67 W68 V71 I86	Q63-V65 WeakPolarHBondContact O-CG2 2.86Å; Q63-V65 PolarHBondContact O-N 3.06Å; V65-F67 PolarHBondContact O-N 2.75Å; V65-W68 HydrophobicContact CB-CB 3.96Å; V65-W68 HydrophobicContact CG1-CB 3.73Å; V65-W68 HydrophobicContact CG1-CG 3.99Å; V65-W68 PolarHBondContact O-N 2.75Å; V65-V71 HydrophobicContact CG2-CG2 4.12Å; V65-I86 HydrophobicContact CB-CD1 4.24Å; V65-I86 HydrophobicContact CG1-CD1 4.15Å; V65-I86 HydrophobicContact CG2-CD1 3.5Å
66	Y	54.4	Low	54.9	Low	196 Å²	196	61.1 Å²	61.1	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	124.3	-179.7	-164.2	-113.9	0	0	0	110.7
67	F	49.1	Very low	54.4	Low	179 Å²	179	67 Å²	67	79%	0.785	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	4.6	-173	-64.9	-75.2	0	0	0	118.1	V65	V65-F67 PolarHBondContact O-N 2.75Å
68	W	49.2	Very low	53.9	Low	203 Å²	203	66.2 Å²	66.2	77%	0.769	33%	0.326	S	S	*	.	S	Bend	trans	-126.4	173.7	177.7	-59.9	86.7	0	0	0	112.4	V65	V65-W68 HydrophobicContact CB-CB 3.96Å; V65-W68 HydrophobicContact CG1-CB 3.73Å; V65-W68 HydrophobicContact CG1-CG 3.99Å; V65-W68 PolarHBondContact O-N 2.75Å
69	S	55.9	Low	53.9	Low	103 Å²	103	69 Å²	69	72%	0.72	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-70.2	136.3	167.6	53	0	0	0	0	110	V71	S69-V71 PolarHBondContact O-N 3.18Å
70	D	54.5	Low	53.6	Low	76 Å²	76	70.6 Å²	70.6	41%	0.406	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-55.5	135.2	178.3	-57.1	-29.4	0	0	0	111.9	V62	V62-D70 HydrophobicContact CG1-CB 3.51Å
71	V	54.4	Low	53.2	Low	40 Å²	40	69 Å²	69	24%	0.242	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.2	172.1	178.9	0	0	0	0	108.1	Q63 V65 S69 L83 E84	Q63-V71 HydrophobicContact CB-CB 4.35Å; Q63-V71 PolarHBondContact N-O 2.92Å; Q63-V71 PolarHBondContact O-N 2.95Å; V65-V71 HydrophobicContact CG2-CG2 4.12Å; S69-V71 PolarHBondContact O-N 3.18Å; V71-L83 HydrophobicContact CG1-CD1 4.39Å; V71-E84 HydrophobicContact CG1-CB 4.08Å
72	T	56.6	Low	52.9	Low	72 Å²	72	70.8 Å²	70.8	44%	0.442	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	-171.1	-56.6	0	0	0	0	111.5	F60 L61 V62	F60-T72 HydrophobicContact CB-CG2 3.82Å; F60-T72 HydrophobicContact CD1-CG2 3.21Å; F60-T72 HydrophobicContact CE1-CG2 3.88Å; F60-T72 HydrophobicContact CG-CG2 3.73Å; L61-T72 WeakPolarHBondContact O-CA 3.32Å; V62-T72 HydrophobicContact CG2-CG2 3.97Å
73	A	54.9	Low	52.6	Low	9 Å²	9	70.8 Å²	70.8	7%	0.074	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.6	166.8	0	0	0	0	0	109.9	F46 F60 L61 L82 L83	F46-A73 HydrophobicContact CE1-CB 4.27Å; F46-A73 HydrophobicContact CZ-CB 4.28Å; F60-A73 CarbonylContact C-O 3.16Å; F60-A73 WeakPolarHBondContact CA-O 3.17Å; L61-A73 HydrophobicContact CB-CB 4.41Å; L61-A73 PolarHBondContact N-O 2.98Å; L61-A73 PolarHBondContact O-N 2.87Å; A73-L82 WeakPolarHBondContact CB-O 3.36Å; A73-L83 HydrophobicContact CB-CB 4.19Å; A73-L83 HydrophobicContact CB-CD1 3.59Å; A73-L83 HydrophobicContact CB-CG 4.45Å
74	K	54.6	Low	52.4	Low	45 Å²	45	75.6 Å²	75.6	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.2	174.5	-170.5	177.2	-173.2	-177.6	0	110.2	Y58 F60 Y76 Y204	Y58-K74 HydrophobicContact CD2-CD 4.22Å; Y58-K74 HydrophobicContact CD2-CG 4.02Å; Y58-K74 HydrophobicContact CG-CG 4.42Å; F60-K74 HydrophobicContact CD1-CB 3.77Å; F60-K74 HydrophobicContact CD1-CG 3.96Å; F60-K74 HydrophobicContact CE1-CB 3.63Å; F60-K74 HydrophobicContact CE1-CD 3.77Å; F60-K74 HydrophobicContact CE1-CG 3.66Å; F60-K74 HydrophobicContact CZ-CD 4.14Å; F60-K74 HydrophobicContact CZ-CG 4.38Å; K74-Y76 HydrophobicContact CD-CE1 4.08Å; K74-Y76 HydrophobicContact CD-CE2 3.96Å; K74-Y76 WeakPolarHBondContact CD-OH 3.39Å; K74-Y76 VanDerWaalsContact CE-OH 3.31Å; K74-Y76 WeakPolarHBondContact CE-OH 3.41Å; K74-Y76 HydrophobicContact CG-CE2 4.29Å; K74-Y76 VanDerWaalsContact NZ-CZ 3.35Å; K74-Y76 PolarHBondContact NZ-OH 2.85Å; K74-Y204 HydrophobicContact CB-CE1 4.34Å; K74-Y204 WeakPolarHBondContact O-CE2 3.2Å; K74-Y204 PolarHBondContact O-OH 3.32Å
75	V	50.3	Low	52.1	Low	5 Å²	5	72.7 Å²	72.7	3%	0.03	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.1	176.6	-177.4	0	0	0	0	108.6	F46 Y58 V59 G78 M80	F46-V75 HydrophobicContact CE2-CG2 3.62Å; F46-V75 HydrophobicContact CZ-CG2 3.48Å; F46-V75 VanDerWaalsContact CZ-CG2 3.48Å; Y58-V75 CarbonylContact C-O 3.16Å; Y58-V75 VanDerWaalsContact CA-O 3.23Å; Y58-V75 WeakPolarHBondContact CA-O 3.29Å; Y58-V75 WeakPolarHBondContact CB-O 3.43Å; V59-V75 PolarHBondContact N-O 3.32Å; V59-V75 PolarHBondContact O-N 2.8Å; V75-G78 WeakPolarHBondContact CG1-O 3.34Å; V75-M80 VanDerWaalsContact CG1-O 3.31Å; V75-M80 WeakPolarHBondContact CG1-O 3.4Å
76	Y	47.9	Very low	51.7	Low	100 Å²	100	72.7 Å²	72.7	39%	0.392	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-176.8	172.1	-69	-77.3	0	0	0	110.9	Y58 K74 G78 Y204	Y58-Y76 HydrophobicContact CD1-CE1 4.38Å; K74-Y76 HydrophobicContact CD-CE1 4.08Å; K74-Y76 HydrophobicContact CD-CE2 3.96Å; K74-Y76 WeakPolarHBondContact CD-OH 3.39Å; K74-Y76 VanDerWaalsContact CE-OH 3.31Å; K74-Y76 WeakPolarHBondContact CE-OH 3.41Å; K74-Y76 HydrophobicContact CG-CE2 4.29Å; K74-Y76 VanDerWaalsContact NZ-CZ 3.35Å; K74-Y76 PolarHBondContact NZ-OH 2.85Å; Y76-G78 CarbonylContact O-C 3.52Å; Y76-G78 WeakPolarHBondContact O-CA 3.21Å; Y76-G78 PolarHBondContact O-N 3.47Å; Y76-Y204 WeakPolarHBondContact CE2-OH 3.22Å
77	E	43	Very low	51.5	Low	153 Å²	153	64.8 Å²	64.8	72%	0.715	34%	0.339	S	S	*	.	S	Bend	trans	-42.7	3	178.3	-70.1	-174.5	152.7	0	0	118.1	N57	N57-E77 PolarHBondContact O-N 2.72Å
78	G	48.4	Very low	51.7	Low	42 Å²	42	62 Å²	62	43%	0.433	33%	0.328	S	S	.	.	S	Bend	trans	-81.6	164.5	159.7	0	0	0	0	0	114.2	W48 V75 Y76	W48-G78 PolarHBondContact NE1-O 3.33Å; V75-G78 WeakPolarHBondContact CG1-O 3.34Å; Y76-G78 CarbonylContact O-C 3.52Å; Y76-G78 WeakPolarHBondContact O-CA 3.21Å; Y76-G78 PolarHBondContact O-N 3.47Å
79	N	53.1	Low	51.7	Low	69 Å²	69	53.4 Å²	53.4	37%	0.369	30%	0.299	S	S	.	.	S	Bend	trans	-97	17.1	-176	-64.5	-11.6	0	0	0	112.3	E47 W48 P50	E47-N79 CarbonylContact C-O 3.44Å; E47-N79 VanDerWaalsContact C-O 3.32Å; E47-N79 WeakPolarHBondContact CA-O 3.45Å; E47-N79 HydrophobicContact CG-CB 4.43Å; E47-N79 VanDerWaalsContact CG-O 3.22Å; E47-N79 WeakPolarHBondContact CG-O 3.48Å; W48-N79 PolarHBondContact N-O 3.19Å; W48-N79 WeakPolarHBondContact O-CA 3.39Å; W48-N79 WeakPolarHBondContact O-CB 3.19Å; P50-N79 WeakPolarHBondContact CD-OD1 3.41Å; P50-N79 WeakPolarHBondContact CG-OD1 3.38Å
80	M	49	Very low	51.4	Low	38 Å²	38	51.5 Å²	51.5	19%	0.187	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.1	-173.8	-60	-173.2	-62.9	0	0	113.3	I37 F46 E47 V75 F171 L210	I37-M80 HydrophobicContact CD1-CB 4.41Å; I37-M80 HydrophobicContact CD1-CG 3.82Å; I37-M80 HydrophobicContact CD1-SD 3.54Å; I37-M80 VanDerWaalsContact CD1-SD 3.54Å; F46-M80 CarbonylContact O-C 3.01Å; F46-M80 WeakPolarHBondContact O-CA 3.35Å; F46-M80 WeakPolarHBondContact O-CB 3.44Å; E47-M80 HydrophobicContact CB-CG 4.38Å; E47-M80 HydrophobicContact CG-CG 4.25Å; V75-M80 VanDerWaalsContact CG1-O 3.31Å; V75-M80 WeakPolarHBondContact CG1-O 3.4Å; M80-F171 HydrophobicContact CE-CB 4.18Å; M80-F171 HydrophobicContact CE-CD1 3.46Å; M80-F171 VanDerWaalsContact CE-CD1 3.46Å; M80-F171 HydrophobicContact CE-CD2 3.31Å; M80-F171 HydrophobicContact CE-CE1 3.57Å; M80-F171 HydrophobicContact CE-CE2 3.4Å; M80-F171 VanDerWaalsContact CE-CE2 3.4Å; M80-F171 HydrophobicContact CE-CG 3.35Å; M80-F171 HydrophobicContact CE-CZ 3.54Å; M80-L210 HydrophobicContact CB-CD1 4.2Å; M80-L210 HydrophobicContact CE-CD1 4.09Å; M80-L210 HydrophobicContact SD-CD1 3.97Å
81	G	50.5	Low	51.4	Low	13 Å²	13	53.2 Å²	53.2	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	175.3	176.8	0	0	0	0	0	113.4	A45 F46	A45-G81 WeakPolarHBondContact CA-O 3.38Å; F46-G81 VanDerWaalsContact CD1-O 3.28Å; F46-G81 WeakPolarHBondContact CD1-O 3.18Å; F46-G81 PolarHBondContact N-O 3.25Å; F46-G81 PolarHBondContact O-N 3.33Å
82	L	50.4	Low	51.5	Low	40 Å²	40	54.4 Å²	54.4	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.4	177.2	-160.2	110.3	0	0	0	108.7	F43 M44 A45 A73	F43-L82 HydrophobicContact CB-CD1 4.31Å; F43-L82 HydrophobicContact CB-CD2 3.74Å; F43-L82 HydrophobicContact CB-CG 4.01Å; F43-L82 HydrophobicContact CD1-CD2 3.39Å; F43-L82 HydrophobicContact CD1-CG 4.35Å; F43-L82 HydrophobicContact CD2-CD2 4.5Å; F43-L82 HydrophobicContact CE1-CD2 4.15Å; F43-L82 HydrophobicContact CG-CD2 3.61Å; F43-L82 HydrophobicContact CG-CG 4.42Å; M44-L82 CarbonylContact O-C 3.46Å; M44-L82 WeakPolarHBondContact O-CA 3.41Å; A45-L82 HydrophobicContact CB-CD1 4.13Å; A73-L82 WeakPolarHBondContact CB-O 3.36Å
83	L	53.2	Low	51.7	Low	4 Å²	4	51.6 Å²	51.6	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.9	178.2	-170.4	103.8	0	0	0	109.9	F43 M44 F46 L61 Q63 V71 A73 Y95	F43-L83 CarbonylContact C-O 3.56Å; F43-L83 VanDerWaalsContact CA-O 3.32Å; F43-L83 WeakPolarHBondContact CA-O 3.18Å; M44-L83 PolarHBondContact N-O 3.33Å; M44-L83 PolarHBondContact O-N 3.23Å; F46-L83 HydrophobicContact CE1-CB 4.07Å; L61-L83 HydrophobicContact CB-CD1 4.43Å; L61-L83 HydrophobicContact CD2-CB 4.27Å; L61-L83 HydrophobicContact CD2-CD1 4.07Å; L61-L83 HydrophobicContact CD2-CD2 4.17Å; L61-L83 HydrophobicContact CD2-CG 4.39Å; L61-L83 HydrophobicContact CG-CD1 4.42Å; L61-L83 WeakPolarHBondContact O-CD1 3.47Å; Q63-L83 HydrophobicContact CB-CD1 4.45Å; Q63-L83 HydrophobicContact CB-CD2 3.94Å; Q63-L83 HydrophobicContact CG-CD2 4.21Å; V71-L83 HydrophobicContact CG1-CD1 4.39Å; A73-L83 HydrophobicContact CB-CB 4.19Å; A73-L83 HydrophobicContact CB-CD1 3.59Å; A73-L83 HydrophobicContact CB-CG 4.45Å; L83-Y95 HydrophobicContact CD2-CD1 3.64Å; L83-Y95 HydrophobicContact CD2-CE1 3.29Å
84	E	51.8	Low	52.1	Low	101 Å²	101	57.6 Å²	57.6	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.5	171.5	-162.2	178.2	173.3	0	0	111.1	A42 Q63 V71 I86	A42-E84 WeakPolarHBondContact O-CA 3.2Å; A42-E84 WeakPolarHBondContact O-CG 3.37Å; Q63-E84 PolarHBondContact NE2-O 3.39Å; Q63-E84 PolarHBondContact OE1-O 2.69Å; V71-E84 HydrophobicContact CG1-CB 4.08Å; E84-I86 PolarHBondContact O-N 3.14Å
85	A	55.2	Low	52.5	Low	5 Å²	5	55.6 Å²	55.6	4%	0.041	30%	0.296	C	S	.	.			trans	-83.8	104.2	178.7	0	0	0	0	0	110.6	A42 R118	A42-A85 PolarHBondContact O-N 2.77Å; A85-R118 PolarHBondContact O-NH1 3.32Å
86	I	48.7	Very low	53	Low	34 Å²	34	58.7 Å²	58.7	17%	0.174	31%	0.308	C	S	.	.			trans	-110.5	165	176.7	90.7	-176.1	0	0	0	112.6	Q63 V65 E84 S93 R118	Q63-I86 HydrophobicContact CG-CD1 3.35Å; Q63-I86 HydrophobicContact CG-CG1 3.89Å; Q63-I86 VanDerWaalsContact OE1-CG2 3.26Å; V65-I86 HydrophobicContact CB-CD1 4.24Å; V65-I86 HydrophobicContact CG1-CD1 4.15Å; V65-I86 HydrophobicContact CG2-CD1 3.5Å; E84-I86 PolarHBondContact O-N 3.14Å; I86-S93 PolarHBondContact O-OG 3.23Å; I86-S93 VanDerWaalsContact O-OG 3.11Å; I86-R118 VanDerWaalsContact O-CD 3.27Å; I86-R118 WeakPolarHBondContact O-CD 3.27Å
87	G	51.4	Low	53.6	Low	30 Å²	30	54.1 Å²	54.1	31%	0.309	29%	0.291	S	S	.	.	S	Bend	trans	89.6	148	-174.4	0	0	0	0	0	110.2	R118	G87-R118 VanDerWaalsContact O-CD 3.28Å; G87-R118 WeakPolarHBondContact O-CD 3.39Å; G87-R118 PolarHBondContact O-NH1 3.4Å
88	E	52	Low	54.5	Low	119 Å²	119	47.9 Å²	47.9	56%	0.556	26%	0.261	S	S	*	.			trans	-65.2	149.5	174.4	-73.2	-63.8	143.8	0	0	109.3	C90 E91	E88-C90 PolarHBondContact O-N 2.98Å; E88-E91 HydrophobicContact CB-CG 3.91Å; E88-E91 PolarHBondContact N-OE2 3.42Å; E88-E91 WeakPolarHBondContact O-CB 3.22Å; E88-E91 PolarHBondContact O-N 2.83Å
89	P	49.7	Very low	55.3	Low	23 Å²	23	45.9 Å²	45.9	15%	0.149	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	140.8	168.2	-16.6	27.8	0	0	0	111.1	E91 V119 P120 R121	P89-E91 PolarHBondContact O-N 3.41Å; P89-V119 WeakPolarHBondContact CB-O 2.96Å; P89-P120 HydrophobicContact CB-CB 4.42Å; P89-R121 HydrophobicContact CB-CB 4.2Å; P89-R121 HydrophobicContact CB-CG 4.44Å; P89-R121 HydrophobicContact CG-CB 3.36Å; P89-R121 HydrophobicContact CG-CG 3.53Å; P89-R121 VanDerWaalsContact CG-N 3.26Å
90	C	50	Low	55.6	Low	63 Å²	63	43.2 Å²	43.2	43%	0.426	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	2.8	-171	-40.3	0	0	0	0	115.8	E88 K117 R118 P120	E88-C90 PolarHBondContact O-N 2.98Å; C90-K117 WeakPolarHBondContact O-CE 3.33Å; C90-R118 VanDerWaalsContact CA-O 3.25Å; C90-R118 WeakPolarHBondContact CA-O 3.35Å; C90-R118 PolarHBondContact N-O 3.5Å; C90-P120 VanDerWaalsContact SG-CB 3.59Å; C90-P120 WeakPolarHBondContact SG-CD 3.44Å; C90-P120 WeakPolarHBondContact SG-CG 3.33Å
91	E	54.7	Low	56.4	Low	112 Å²	112	42.1 Å²	42.1	52%	0.523	22%	0.221	S	C	.	.	S	Bend	trans	-97.4	143.5	170.8	-62.8	-169.7	155.8	0	0	111.1	E88 P89 S93 K117 R118	E88-E91 HydrophobicContact CB-CG 3.91Å; E88-E91 PolarHBondContact N-OE2 3.42Å; E88-E91 WeakPolarHBondContact O-CB 3.22Å; E88-E91 PolarHBondContact O-N 2.83Å; P89-E91 PolarHBondContact O-N 3.41Å; E91-S93 PolarHBondContact O-N 3.07Å; E91-K117 WeakPolarHBondContact O-CA 3.33Å; E91-R118 PolarHBondContact O-N 2.8Å
92	V	57.1	Low	56.6	Low	66 Å²	66	43.9 Å²	43.9	40%	0.4	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.1	174.3	-177.7	0	0	0	0	107.8	T115 K117	V92-T115 HydrophobicContact CG1-CG2 3.97Å; V92-K117 HydrophobicContact CG2-CB 4.01Å; V92-K117 HydrophobicContact CG2-CD 4.18Å; V92-K117 HydrophobicContact CG2-CG 4.01Å
93	S	60.6	Low	56.7	Low	12 Å²	12	46.9 Å²	46.9	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.5	173	-65.1	0	0	0	0	110.2	I86 E91 Y95 T115 Y116	I86-S93 PolarHBondContact O-OG 3.23Å; I86-S93 VanDerWaalsContact O-OG 3.11Å; E91-S93 PolarHBondContact O-N 3.07Å; S93-Y95 WeakPolarHBondContact O-CE2 3.13Å; S93-T115 CarbonylContact O-C 3.51Å; S93-T115 WeakPolarHBondContact O-CA 3.46Å; S93-Y116 PolarHBondContact N-O 3.1Å; S93-Y116 PolarHBondContact O-N 3.29Å
94	K	63.4	Low	56.4	Low	135 Å²	135	54.3 Å²	54.3	59%	0.587	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	136.8	176.8	-69.5	-176.6	-179.8	-172.6	0	110.5	D64 I114 T115	D64-K94 PolarHBondContact N-O 3Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 WeakPolarHBondContact CA-O 3.37Å; K94-T115 HydrophobicContact CG-CG2 3.78Å
95	Y	61.5	Low	56.1	Low	3 Å²	3	58 Å²	58	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155	174.8	-51	-105.7	0	0	0	106.4	L61 V62 Q63 L83 S93 I114	L61-Y95 HydrophobicContact CD2-CD1 4.31Å; V62-Y95 CarbonylContact O-C 3.54Å; V62-Y95 VanDerWaalsContact O-CA 3.3Å; V62-Y95 WeakPolarHBondContact O-CA 3.38Å; Q63-Y95 HydrophobicContact CB-CD1 3.86Å; Q63-Y95 HydrophobicContact CB-CE1 4.14Å; Q63-Y95 HydrophobicContact CG-CD1 3.81Å; Q63-Y95 HydrophobicContact CG-CE1 3.67Å; Q63-Y95 PolarHBondContact NE2-OH 2.93Å; L83-Y95 HydrophobicContact CD2-CD1 3.64Å; L83-Y95 HydrophobicContact CD2-CE1 3.29Å; S93-Y95 WeakPolarHBondContact O-CE2 3.13Å; Y95-I114 HydrophobicContact CD2-CG2 4.1Å; Y95-I114 HydrophobicContact CG-CG2 4.24Å; Y95-I114 PolarHBondContact N-O 2.73Å; Y95-I114 WeakPolarHBondContact O-CA 3.3Å; Y95-I114 WeakPolarHBondContact O-CB 3.47Å; Y95-I114 PolarHBondContact O-N 2.72Å; Y95-I114 VanDerWaalsContact O-O 3.09Å
96	R	62.6	Low	55.7	Low	70 Å²	70	64.8 Å²	64.8	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.8	170.8	66.3	-170.8	-103.4	-168.6	-1.9	108.4	V62 E98 T111 Y112	V62-R96 HydrophobicContact CB-CG 3.56Å; V62-R96 HydrophobicContact CG1-CG 4.08Å; V62-R96 HydrophobicContact CG2-CG 4.46Å; V62-R96 PolarHBondContact N-O 2.72Å; V62-R96 PolarHBondContact O-N 2.89Å; R96-E98 HydrophobicContact CG-CG 4.44Å; R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.4Å; R96-E98 PolarHBondContact NE-OE1 3.33Å; R96-E98 IonicContact NH2-OE1 3.54Å; R96-E98 PolarHBondContact NH2-OE1 2.82Å; R96-E98 IonicContact NH2-OE2 3.72Å; R96-E98 PolarHBondContact NH2-OE2 3.18Å; R96-E98 VanDerWaalsContact NH2-OE2 3.09Å; R96-T111 HydrophobicContact CB-CG2 3.89Å; R96-Y112 CarbonylContact C-O 3.47Å; R96-Y112 WeakPolarHBondContact CA-O 3.39Å
97	A	60.1	Low	55.6	Low	5 Å²	5	65.8 Å²	65.8	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.3	171.8	0	0	0	0	0	109.1	M51 V59 F60 L61 T111 Y112 I114	M51-A97 HydrophobicContact CE-CB 4.42Å; V59-A97 HydrophobicContact CG1-CB 3.86Å; F60-A97 CarbonylContact O-C 3.44Å; F60-A97 WeakPolarHBondContact O-CA 3.12Å; L61-A97 HydrophobicContact CD1-CB 4.23Å; A97-T111 CarbonylContact O-C 3.52Å; A97-T111 VanDerWaalsContact O-CA 3.28Å; A97-T111 WeakPolarHBondContact O-CA 3.41Å; A97-Y112 PolarHBondContact N-O 3.02Å; A97-Y112 PolarHBondContact O-N 2.8Å; A97-I114 HydrophobicContact CB-CD1 3.91Å
98	E	62.4	Low	55.6	Low	21 Å²	21	67.9 Å²	67.9	10%	0.098	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.5	179.3	-57.1	-175.3	-137.1	0	0	110.9	V59 F60 V62 R96 H100 H108 Q110	V59-E98 CarbonylContact C-O 3.51Å; V59-E98 VanDerWaalsContact CA-O 3.3Å; V59-E98 WeakPolarHBondContact CA-O 2.98Å; F60-E98 HydrophobicContact CB-CB 4.41Å; F60-E98 PolarHBondContact N-O 2.81Å; F60-E98 PolarHBondContact O-N 3.44Å; V62-E98 HydrophobicContact CG2-CG 4.41Å; V62-E98 WeakPolarHBondContact CG2-OE1 3.44Å; R96-E98 HydrophobicContact CG-CG 4.44Å; R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.4Å; R96-E98 PolarHBondContact NE-OE1 3.33Å; R96-E98 IonicContact NH2-OE1 3.54Å; R96-E98 PolarHBondContact NH2-OE1 2.82Å; R96-E98 IonicContact NH2-OE2 3.72Å; R96-E98 PolarHBondContact NH2-OE2 3.18Å; R96-E98 VanDerWaalsContact NH2-OE2 3.09Å; E98-H100 PolarHBondContact O-CD2 3.45Å; E98-H100 IonicContact OE2-NE2 3.89Å; E98-H108 IonicContact OE2-CE1 2.83Å; E98-H108 PolarHBondContact OE2-CE1 2.69Å; E98-H108 IonicContact OE2-ND1 2.72Å; E98-H108 PolarHBondContact OE2-ND1 3.32Å; E98-Q110 WeakPolarHBondContact CA-O 3.43Å
99	G	63.7	Low	55.6	Low	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.2	171.9	0	0	0	0	0	111.5	F109 Q110	G99-F109 VanDerWaalsContact C-CD1 3.48Å; G99-F109 WeakPolarHBondContact O-CD1 3.28Å; G99-F109 WeakPolarHBondContact O-CE1 3.34Å; G99-F109 PolarHBondContact O-N 2.88Å; G99-Q110 PolarHBondContact N-O 3.3Å
100	H	60.2	Low	56	Low	14 Å²	14	66.6 Å²	66.6	7%	0.065	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.9	174.5	-70.2	-94.9	0	0	0	112.1	N57 Y58 F60 E98	N57-H100 PolarHBondContact N-O 2.73Å; Y58-H100 HydrophobicContact CD2-CB 4.02Å; Y58-H100 HydrophobicContact CE1-CB 4.05Å; Y58-H100 HydrophobicContact CE2-CB 3.4Å; Y58-H100 VanDerWaalsContact CE2-CB 3.4Å; Y58-H100 AromaticContact CE2-CD2 3.91Å; Y58-H100 AromaticContact CE2-CG 3.69Å; Y58-H100 VanDerWaalsContact CZ-CB 3.4Å; Y58-H100 AromaticContact CZ-CG 3.98Å; Y58-H100 PolarHBondContact O-N 2.87Å; Y58-H100 VanDerWaalsContact O-N 3.1Å; F60-H100 AromaticContact CD2-CD2 3.43Å; F60-H100 VanDerWaalsContact CD2-CD2 3.43Å; F60-H100 WeakPolarHBondContact CD2-CD2 3.22Å; F60-H100 AromaticContact CD2-NE2 3.38Å; F60-H100 WeakPolarHBondContact CD2-NE2 3.38Å; F60-H100 AromaticContact CE2-CD2 3.95Å; F60-H100 AromaticContact CE2-NE2 3.91Å; E98-H100 PolarHBondContact O-CD2 3.45Å; E98-H100 IonicContact OE2-NE2 3.89Å
101	N	65.2	Low	56.3	Low	15 Å²	15	66.7 Å²	66.7	8%	0.08	34%	0.339	C	S	.	.			trans	-86.9	157.8	164	65.6	6.9	0	0	0	110.8	D55 N103 S107	D55-N101 HydrophobicContact CB-CB 3.98Å; D55-N101 VanDerWaalsContact O-CA 3.28Å; D55-N101 WeakPolarHBondContact O-CA 3.31Å; D55-N101 VanDerWaalsContact O-CB 3.26Å; D55-N101 WeakPolarHBondContact O-CB 3.44Å; N101-N103 PolarHBondContact O-N 2.79Å; N101-N103 VanDerWaalsContact O-N 3.1Å; N101-S107 VanDerWaalsContact CG-OG 3.22Å; N101-S107 PolarHBondContact ND2-OG 3.45Å; N101-S107 PolarHBondContact OD1-OG 3.06Å; N101-S107 VanDerWaalsContact OD1-OG 3.12Å
102	G	54.1	Low	56.5	Low	49 Å²	49	63.2 Å²	63.2	51%	0.505	32%	0.321	S	S	.	.	S	Bend	trans	-74.3	13.8	179.6	0	0	0	0	0	115.3
103	N	52.8	Low	56.5	Low	103 Å²	103	64.8 Å²	64.8	55%	0.551	33%	0.327	S	S	*	.	S	Bend	trans	-85.8	155	-174.5	-73.3	-27.2	0	0	0	112.4	N101 F105	N101-N103 PolarHBondContact O-N 2.79Å; N101-N103 VanDerWaalsContact O-N 3.1Å; N103-F105 CarbonylContact O-C 3.58Å; N103-F105 PolarHBondContact O-N 2.7Å; N103-F105 VanDerWaalsContact O-N 3.17Å
104	I	46.9	Very low	56.5	Low	160 Å²	160	64.3 Å²	64.3	82%	0.821	32%	0.323	S	S	*	.	S	Bend	trans	-56.9	-32.4	-174.9	-64.2	168.3	0	0	0	112.9
105	F	45.6	Very low	56.2	Low	178 Å²	178	58.3 Å²	58.3	78%	0.781	30%	0.298	S	S	*	.	S	Bend	trans	-91.7	107.8	166.1	-60.3	-81.6	0	0	0	106.4	N103 S107	N103-F105 CarbonylContact O-C 3.58Å; N103-F105 PolarHBondContact O-N 2.7Å; N103-F105 VanDerWaalsContact O-N 3.17Å; F105-S107 PolarHBondContact O-N 3.18Å
106	F	46.4	Very low	56	Low	149 Å²	149	59.2 Å²	59.2	65%	0.654	30%	0.302	S	S	*	.			trans	-55.1	82.8	172	-59.6	-90.5	0	0	0	109.5	Y58 H108	Y58-F106 VanDerWaalsContact OH-CD1 3.3Å; Y58-F106 WeakPolarHBondContact OH-CD1 3.2Å; Y58-F106 WeakPolarHBondContact OH-CE1 3.46Å; F106-H108 PolarHBondContact O-N 3.28Å; F106-H108 VanDerWaalsContact O-N 3.13Å
107	S	47.2	Very low	55.6	Low	54 Å²	54	61.6 Å²	61.6	38%	0.378	31%	0.314	S	S	.	.			trans	-84.1	99	175.8	68.9	0	0	0	0	106.4	N101 F105 F109	N101-S107 VanDerWaalsContact CG-OG 3.22Å; N101-S107 PolarHBondContact ND2-OG 3.45Å; N101-S107 PolarHBondContact OD1-OG 3.06Å; N101-S107 VanDerWaalsContact OD1-OG 3.12Å; F105-S107 PolarHBondContact O-N 3.18Å; S107-F109 PolarHBondContact O-N 3.47Å
108	H	51.1	Low	55.1	Low	75 Å²	75	61.7 Å²	61.7	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	124.2	162.1	-177	124.5	0	0	0	107.9	E98 F106 Q110 T111	E98-H108 IonicContact OE2-CE1 2.83Å; E98-H108 PolarHBondContact OE2-CE1 2.69Å; E98-H108 IonicContact OE2-ND1 2.72Å; E98-H108 PolarHBondContact OE2-ND1 3.32Å; F106-H108 PolarHBondContact O-N 3.28Å; F106-H108 VanDerWaalsContact O-N 3.13Å; H108-Q110 PolarHBondContact NE2-O 3.18Å; H108-T111 PolarHBondContact CE1-OG1 2.82Å; H108-T111 PolarHBondContact NE2-OG1 2.9Å
109	F	52.1	Low	54.4	Low	47 Å²	47	64 Å²	64	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-28	-179.5	71.8	-97.9	0	0	0	113.9	M51 H53 F56 G99 S107	M51-F109 HydrophobicContact SD-CE2 3.94Å; M51-F109 HydrophobicContact SD-CZ 3.92Å; H53-F109 HydrophobicContact CB-CD2 4.18Å; H53-F109 HydrophobicContact CB-CE2 3.48Å; H53-F109 VanDerWaalsContact CB-CE2 3.48Å; H53-F109 HydrophobicContact CB-CZ 3.77Å; H53-F109 AromaticContact CD2-CD2 3.71Å; H53-F109 AromaticContact CD2-CE2 3.92Å; H53-F109 AromaticContact CG-CD2 3.77Å; H53-F109 AromaticContact CG-CE2 3.57Å; H53-F109 AromaticContact CG-CZ 3.97Å; F56-F109 HydrophobicContact CB-CZ 4.31Å; F56-F109 HydrophobicContact CD2-CE1 4.2Å; F56-F109 AromaticContact CD2-CZ 3.79Å; F56-F109 HydrophobicContact CD2-CZ 3.79Å; G99-F109 VanDerWaalsContact C-CD1 3.48Å; G99-F109 WeakPolarHBondContact O-CD1 3.28Å; G99-F109 WeakPolarHBondContact O-CE1 3.34Å; G99-F109 PolarHBondContact O-N 2.88Å; S107-F109 PolarHBondContact O-N 3.47Å
110	Q	58.2	Low	53.1	Low	68 Å²	68	66.9 Å²	66.9	32%	0.318	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	136.9	179.5	-84.2	171	-2.3	0	0	111.2	M51 E98 G99 H108 Y112	M51-Q110 HydrophobicContact SD-CB 4.09Å; E98-Q110 WeakPolarHBondContact CA-O 3.43Å; G99-Q110 PolarHBondContact N-O 3.3Å; H108-Q110 PolarHBondContact NE2-O 3.18Å; Q110-Y112 HydrophobicContact CB-CE2 4.32Å
111	T	56.8	Low	51.8	Low	65 Å²	65	69.9 Å²	69.9	40%	0.399	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.7	166.7	-52.1	0	0	0	0	109.3	R96 A97 H108	R96-T111 HydrophobicContact CB-CG2 3.89Å; A97-T111 CarbonylContact O-C 3.52Å; A97-T111 VanDerWaalsContact O-CA 3.28Å; A97-T111 WeakPolarHBondContact O-CA 3.41Å; H108-T111 PolarHBondContact CE1-OG1 2.82Å; H108-T111 PolarHBondContact NE2-OG1 2.9Å
112	Y	58.2	Low	50.2	Low	39 Å²	39	70.4 Å²	70.4	15%	0.153	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	163.6	-64.8	-89.2	0	0	0	109.8	I25 M51 R96 A97 Q110	I25-Y112 HydrophobicContact CD1-CE1 4.44Å; I25-Y112 HydrophobicContact CG1-CE1 3.75Å; M51-Y112 HydrophobicContact CE-CD2 3.46Å; M51-Y112 VanDerWaalsContact CE-CD2 3.46Å; M51-Y112 HydrophobicContact CE-CE2 3.48Å; M51-Y112 VanDerWaalsContact CE-CE2 3.48Å; M51-Y112 HydrophobicContact CG-CE2 4.2Å; M51-Y112 HydrophobicContact SD-CD2 4.37Å; M51-Y112 HydrophobicContact SD-CE2 3.79Å; R96-Y112 CarbonylContact C-O 3.47Å; R96-Y112 WeakPolarHBondContact CA-O 3.39Å; A97-Y112 PolarHBondContact N-O 3.02Å; A97-Y112 PolarHBondContact O-N 2.8Å; Q110-Y112 HydrophobicContact CB-CE2 4.32Å
113	D	58.1	Low	48.9	Very low	99 Å²	99	73.2 Å²	73.2	53%	0.529	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.9	170.3	-66.2	-41.3	0	0	0	110.1	T22	T22-D113 CarbonylContact C-O 3.57Å; T22-D113 VanDerWaalsContact O-O 3.07Å; T22-D113 PolarHBondContact OG1-O 2.8Å
114	I	59.6	Low	47.5	Very low	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	121.4	-169.5	-72.4	175.3	0	0	0	107.2	L20 N23 F34 L61 K94 Y95 A97	L20-I114 HydrophobicContact CB-CG2 3.96Å; L20-I114 HydrophobicContact CD1-CB 4.13Å; L20-I114 HydrophobicContact CD1-CD1 4.23Å; L20-I114 HydrophobicContact CD1-CG1 3.93Å; L20-I114 HydrophobicContact CD1-CG2 3.3Å; L20-I114 HydrophobicContact CD2-CG2 3.27Å; L20-I114 HydrophobicContact CG-CG2 3.61Å; N23-I114 HydrophobicContact CB-CG1 3.93Å; F34-I114 HydrophobicContact CB-CD1 4.03Å; F34-I114 HydrophobicContact CD2-CD1 4.23Å; F34-I114 HydrophobicContact CG-CD1 4.08Å; L61-I114 HydrophobicContact CD1-CD1 3.8Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 WeakPolarHBondContact CA-O 3.37Å; Y95-I114 HydrophobicContact CD2-CG2 4.1Å; Y95-I114 HydrophobicContact CG-CG2 4.24Å; Y95-I114 PolarHBondContact N-O 2.73Å; Y95-I114 WeakPolarHBondContact O-CA 3.3Å; Y95-I114 WeakPolarHBondContact O-CB 3.47Å; Y95-I114 PolarHBondContact O-N 2.72Å; Y95-I114 VanDerWaalsContact O-O 3.09Å; A97-I114 HydrophobicContact CB-CD1 3.91Å
115	T	58.1	Low	46.3	Very low	9 Å²	9	68.7 Å²	68.7	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	101.6	178.2	32.5	0	0	0	0	111.3	L20 E21 T22 V92 S93 K94	L20-T115 WeakPolarHBondContact CA-O 3.25Å; E21-T115 WeakPolarHBondContact CA-OG1 3.48Å; E21-T115 WeakPolarHBondContact CB-OG1 3.04Å; E21-T115 WeakPolarHBondContact CG-OG1 3.37Å; E21-T115 PolarHBondContact N-O 3.48Å; E21-T115 PolarHBondContact N-OG1 3.44Å; E21-T115 PolarHBondContact OE2-OG1 2.61Å; T22-T115 PolarHBondContact N-OG1 3.15Å; T22-T115 PolarHBondContact OG1-OG1 3.25Å; V92-T115 HydrophobicContact CG1-CG2 3.97Å; S93-T115 CarbonylContact O-C 3.51Å; S93-T115 WeakPolarHBondContact O-CA 3.46Å; K94-T115 HydrophobicContact CG-CG2 3.78Å
116	Y	56	Low	45.3	Very low	23 Å²	23	67.9 Å²	67.9	9%	0.09	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.5	-178.5	177.9	-103.9	0	0	0	111.2	L20 V36 E39 M44 S93 R118	L20-Y116 HydrophobicContact CD2-CD2 4.04Å; L20-Y116 HydrophobicContact CD2-CG 4.27Å; V36-Y116 HydrophobicContact CB-CE2 4.21Å; V36-Y116 HydrophobicContact CG2-CD2 3.88Å; V36-Y116 HydrophobicContact CG2-CE2 3.59Å; E39-Y116 WeakPolarHBondContact OE2-CE1 3.37Å; E39-Y116 PolarHBondContact OE2-OH 3.11Å; M44-Y116 HydrophobicContact CE-CD1 3.38Å; M44-Y116 HydrophobicContact CE-CE1 3.29Å; M44-Y116 HydrophobicContact CE-CG 4.2Å; M44-Y116 HydrophobicContact SD-CD1 4.42Å; M44-Y116 HydrophobicContact SD-CE1 4.36Å; S93-Y116 PolarHBondContact N-O 3.1Å; S93-Y116 PolarHBondContact O-N 3.29Å; Y116-R118 HydrophobicContact CD1-CG 4.12Å; Y116-R118 HydrophobicContact CE1-CB 4.43Å; Y116-R118 HydrophobicContact CE1-CG 3.88Å
117	K	55	Low	44.4	Very low	120 Å²	120	64.9 Å²	64.9	52%	0.522	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.2	172.1	-166.3	179.4	-175.9	178.5	0	110.2	C90 E91 V92	C90-K117 WeakPolarHBondContact O-CE 3.33Å; E91-K117 WeakPolarHBondContact O-CA 3.33Å; V92-K117 HydrophobicContact CG2-CB 4.01Å; V92-K117 HydrophobicContact CG2-CD 4.18Å; V92-K117 HydrophobicContact CG2-CG 4.01Å
118	R	49.1	Very low	43.4	Very low	6 Å²	6	64.1 Å²	64.1	2%	0.023	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.3	149.3	177.1	-65.4	-176.8	66.5	171.1	17.1	111.8	E39 A85 I86 G87 C90 E91 Y116 R121	E39-R118 IonicContact OE1-CZ 3.36Å; E39-R118 VanDerWaalsContact OE1-CZ 3.31Å; E39-R118 IonicContact OE1-NE 2.76Å; E39-R118 PolarHBondContact OE1-NE 3.43Å; E39-R118 IonicContact OE1-NH2 2.97Å; E39-R118 PolarHBondContact OE1-NH2 2.61Å; A85-R118 PolarHBondContact O-NH1 3.32Å; I86-R118 VanDerWaalsContact O-CD 3.27Å; I86-R118 WeakPolarHBondContact O-CD 3.27Å; G87-R118 VanDerWaalsContact O-CD 3.28Å; G87-R118 WeakPolarHBondContact O-CD 3.39Å; G87-R118 PolarHBondContact O-NH1 3.4Å; C90-R118 VanDerWaalsContact CA-O 3.25Å; C90-R118 WeakPolarHBondContact CA-O 3.35Å; C90-R118 PolarHBondContact N-O 3.5Å; E91-R118 PolarHBondContact O-N 2.8Å; Y116-R118 HydrophobicContact CD1-CG 4.12Å; Y116-R118 HydrophobicContact CE1-CB 4.43Å; Y116-R118 HydrophobicContact CE1-CG 3.88Å; R118-R121 VanDerWaalsContact NH2-NE 3.18Å
119	V	48.3	Very low	42.5	Very low	71 Å²	71	66.9 Å²	66.9	43%	0.43	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-82.1	142.8	171.1	-173.8	0	0	0	0	109.3	P89 R121	P89-V119 WeakPolarHBondContact CB-O 2.96Å; V119-R121 PolarHBondContact O-N 2.83Å
120	P	35.4	Very low	41.3	Very low	60 Å²	60	68.1 Å²	68.1	39%	0.39	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-47.4	127.3	-177.9	-4	-7.1	0	0	0	115.2	P89 C90 I122	P89-P120 HydrophobicContact CB-CB 4.42Å; C90-P120 VanDerWaalsContact SG-CB 3.59Å; C90-P120 WeakPolarHBondContact SG-CD 3.44Å; C90-P120 WeakPolarHBondContact SG-CG 3.33Å; P120-I122 WeakPolarHBondContact O-CD1 3.48Å
121	R	34.7	Very low	39.9	Very low	77 Å²	77	68 Å²	68	29%	0.291	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-76.4	152.1	178.7	-88.4	179.4	-176.8	172.2	4.8	112.4	T41 P89 R118 V119 E123 R365	T41-R121 PolarHBondContact O-NH2 3.42Å; P89-R121 HydrophobicContact CB-CB 4.2Å; P89-R121 HydrophobicContact CB-CG 4.44Å; P89-R121 HydrophobicContact CG-CB 3.36Å; P89-R121 HydrophobicContact CG-CG 3.53Å; P89-R121 VanDerWaalsContact CG-N 3.26Å; R118-R121 VanDerWaalsContact NH2-NE 3.18Å; V119-R121 PolarHBondContact O-N 2.83Å; R121-E123 HydrophobicContact CB-CG 4.21Å; R121-E123 WeakPolarHBondContact CD-OE1 3.34Å; R121-E123 IonicContact CZ-OE1 3.18Å; R121-E123 IonicContact NE-OE1 3.88Å; R121-E123 IonicContact NH1-OE1 2.81Å; R121-E123 PolarHBondContact NH1-OE1 3.43Å; R121-R365 VanDerWaalsContact C-NH1 3.27Å; R121-R365 PolarHBondContact O-NH1 3.49Å
122	I	31	Very low	38.3	Very low	26 Å²	26	72.2 Å²	72.2	13%	0.133	38%	0.379	C	S	.	.			trans	-105.7	63.9	178.9	-24.5	-42.8	0	0	0	111.2	P120 N124 R365	P120-I122 WeakPolarHBondContact O-CD1 3.48Å; I122-N124 PolarHBondContact O-N 2.95Å; I122-R365 VanDerWaalsContact CA-CZ 3.42Å; I122-R365 HydrophobicContact CD1-CB 3.21Å; I122-R365 HydrophobicContact CD1-CG 3.37Å; I122-R365 HydrophobicContact CG1-CB 3.69Å; I122-R365 HydrophobicContact CG1-CG 3.94Å
123	E	26.2	Very low	36.8	Very low	108 Å²	108	73.9 Å²	73.9	51%	0.505	39%	0.39	S	S	.	.			trans	-82.3	118.9	175.7	-63.6	-177.8	-175.5	0	0	108.7	R121	R121-E123 HydrophobicContact CB-CG 4.21Å; R121-E123 WeakPolarHBondContact CD-OE1 3.34Å; R121-E123 IonicContact CZ-OE1 3.18Å; R121-E123 IonicContact NE-OE1 3.88Å; R121-E123 IonicContact NH1-OE1 2.81Å; R121-E123 PolarHBondContact NH1-OE1 3.43Å
124	N	22.9	Very low	35.2	Very low	127 Å²	127	72.2 Å²	72.2	68%	0.679	38%	0.384	S	S	*	.			trans	74.1	121.3	-170.5	-45.1	-55.1	0	0	0	112	I122	I122-N124 PolarHBondContact O-N 2.95Å
125	V	22.8	Very low	33.5	Very low	40 Å²	40	77.4 Å²	77.4	24%	0.242	42%	0.42	C	S	.	.				-165.6	119.2	91.2	165.1	0	0	0	0	111	N360 K379	V125-N360 VanDerWaalsContact CG2-O 3.26Å; V125-N360 WeakPolarHBondContact CG2-O 3.37Å; V125-K379 VanDerWaalsContact C-CD 3.49Å; V125-K379 WeakPolarHBondContact O-CB 3.25Å; V125-K379 WeakPolarHBondContact O-CD 3.25Å; V125-K379 WeakPolarHBondContact O-CG 3.25Å
126	Q	24.2	Very low	32	Very low	162 Å²	162	79.1 Å²	79.1	76%	0.757	43%	0.428	S	S	*	.			trans	-16.8	149	163.4	-101.6	173.6	-21.2	0	0	121.3
127	I	27.3	Very low	30.5	Very low	86 Å²	86	84.5 Å²	84.5	44%	0.441	45%	0.454	S	S	.	.			trans	98.1	131.4	154.2	-63.9	152.6	0	0	0	115.6	K379 P380 A382	I127-K379 CarbonylContact O-C 3.49Å; I127-P380 CarbonylContact C-O 3.55Å; I127-P380 WeakPolarHBondContact CB-O 3.42Å; I127-P380 WeakPolarHBondContact CG2-O 3.32Å; I127-P380 CarbonylContact O-C 3.52Å; I127-P380 WeakPolarHBondContact O-CA 3.2Å; I127-P380 WeakPolarHBondContact O-CB 3.4Å; I127-P380 WeakPolarHBondContact O-CD 3.44Å; I127-P380 WeakPolarHBondContact O-CG 3.43Å; I127-A382 HydrophobicContact CG2-CB 3.64Å
128	G	26	Very low	29.1	Very low	38 Å²	38	81.5 Å²	81.5	39%	0.392	45%	0.446	S	S	.	.				115.4	52.7	89.5	0	0	0	0	0	125.6	P380	G128-P380 VanDerWaalsContact CA-CB 3.41Å; G128-P380 WeakPolarHBondContact O-CB 3.17Å
129	L	31.6	Very low	28.1	Very low	132 Å²	132	85.1 Å²	85.1	69%	0.691	47%	0.469	S	S	*	.			trans	-173.8	125.2	147.6	-134.2	80.6	0	0	0	115	S131 P380	L129-S131 WeakPolarHBondContact CD2-OG 3.23Å; L129-P380 HydrophobicContact CB-CB 4.4Å; L129-P380 HydrophobicContact CB-CG 4.4Å
130	L	28.2	Very low	27.3	Very low	73 Å²	73	89.5 Å²	89.5	38%	0.382	49%	0.49	S	S	.	.			trans	-106.8	-2.6	-173.3	-163.7	83.8	0	0	0	112.2	I132 T134 H143	L130-I132 PolarHBondContact O-N 3.41Å; L130-T134 HydrophobicContact CD2-CG2 4.29Å; L130-T134 HydrophobicContact CG-CG2 4.48Å; L130-H143 WeakPolarHBondContact CD1-CE1 3.44Å; L130-H143 VanDerWaalsContact CD1-NE2 3.34Å; L130-H143 WeakPolarHBondContact CD1-NE2 3.26Å
131	S	28.1	Very low	26.9	Very low	67 Å²	67	88.8 Å²	88.8	47%	0.469	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	12.7	-146.9	68.8	0	0	0	0	118.8	L129 T134	L129-S131 WeakPolarHBondContact CD2-OG 3.23Å; S131-T134 VanDerWaalsContact C-OG1 3.28Å; S131-T134 WeakPolarHBondContact CA-OG1 3.37Å; S131-T134 PolarHBondContact O-OG1 3.41Å; S131-T134 VanDerWaalsContact O-OG1 3.06Å
132	I	24.5	Very low	26.5	Very low	152 Å²	152	92 Å²	92	78%	0.779	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-18.3	166	-61.7	179.8	0	0	0	111.8	L130 T134	L130-I132 PolarHBondContact O-N 3.41Å; I132-T134 VanDerWaalsContact C-N 3.28Å
133	I	26.2	Very low	26.2	Very low	74 Å²	74	94.7 Å²	94.7	38%	0.379	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-82.7	-5.7	167.7	-56.6	169.2	0	0	0	110.8	S135 L136 H143	I133-S135 PolarHBondContact O-N 3.39Å; I133-S135 VanDerWaalsContact O-N 3.13Å; I133-L136 HydrophobicContact CG2-CB 4.09Å; I133-L136 HydrophobicContact CG2-CD1 4Å; I133-L136 WeakPolarHBondContact O-CA 3.38Å; I133-L136 WeakPolarHBondContact O-CB 3.34Å; I133-L136 PolarHBondContact O-N 2.96Å; I133-H143 VanDerWaalsContact CB-CE1 3.42Å; I133-H143 WeakPolarHBondContact CB-CE1 3.5Å; I133-H143 WeakPolarHBondContact CB-ND1 3.32Å; I133-H143 HydrophobicContact CG2-CB 4.39Å; I133-H143 WeakPolarHBondContact CG2-ND1 3.33Å
134	T	24.5	Very low	26.3	Very low	65 Å²	65	91.6 Å²	91.6	40%	0.399	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-66.1	-11.4	175.8	36.9	0	0	0	0	115.3	L130 S131 I132 L136 T138	L130-T134 HydrophobicContact CD2-CG2 4.29Å; L130-T134 HydrophobicContact CG-CG2 4.48Å; S131-T134 VanDerWaalsContact C-OG1 3.28Å; S131-T134 WeakPolarHBondContact CA-OG1 3.37Å; S131-T134 PolarHBondContact O-OG1 3.41Å; S131-T134 VanDerWaalsContact O-OG1 3.06Å; I132-T134 VanDerWaalsContact C-N 3.28Å; T134-L136 VanDerWaalsContact C-N 3.34Å; T134-T138 HydrophobicContact CG2-CG2 4.24Å
135	S	23.3	Very low	26.7	Very low	109 Å²	109	87.2 Å²	87.2	76%	0.762	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-84.4	-10.7	167.5	58.8	0	0	0	0	113.3	I133 H137	I133-S135 PolarHBondContact O-N 3.39Å; I133-S135 VanDerWaalsContact O-N 3.13Å; S135-H137 PolarHBondContact O-N 3.3Å
136	L	26.9	Very low	27.2	Very low	46 Å²	46	86.9 Å²	86.9	24%	0.241	49%	0.488	C	S	.	.	S	Bend	trans	-91.2	85.6	167.3	-66.3	162.9	0	0	0	107.7	I133 T134 T138 N326	I133-L136 HydrophobicContact CG2-CB 4.09Å; I133-L136 HydrophobicContact CG2-CD1 4Å; I133-L136 WeakPolarHBondContact O-CA 3.38Å; I133-L136 WeakPolarHBondContact O-CB 3.34Å; I133-L136 PolarHBondContact O-N 2.96Å; T134-L136 VanDerWaalsContact C-N 3.34Å; L136-T138 PolarHBondContact O-N 3.07Å; L136-T138 VanDerWaalsContact O-N 3.12Å; L136-N326 HydrophobicContact CD2-CB 3.58Å; L136-N326 WeakPolarHBondContact CD2-OD1 3.06Å
137	H	24.2	Very low	27.8	Very low	135 Å²	135	82.5 Å²	82.5	63%	0.625	47%	0.465	S	S	*	.			trans	21.8	77.1	164.6	-123.5	-75.2	0	0	0	116	S135 V139	S135-H137 PolarHBondContact O-N 3.3Å; H137-V139 PolarHBondContact O-N 2.9Å
138	T	25.8	Very low	28.6	Very low	57 Å²	57	79.2 Å²	79.2	35%	0.35	45%	0.449	S	S	.	.			trans	-72	117.8	167.1	47.2	0	0	0	0	109.8	T134 L136	T134-T138 HydrophobicContact CG2-CG2 4.24Å; L136-T138 PolarHBondContact O-N 3.07Å; L136-T138 VanDerWaalsContact O-N 3.12Å
139	V	27.9	Very low	29.3	Very low	83 Å²	83	82.2 Å²	82.2	50%	0.503	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-104.1	120.5	154.4	-177.1	0	0	0	0	107.1	H137 G141	H137-V139 PolarHBondContact O-N 2.9Å; V139-G141 VanDerWaalsContact C-N 3.3Å; V139-G141 PolarHBondContact O-N 2.59Å
140	N	31.7	Very low	30	Very low	163 Å²	163	78.9 Å²	78.9	87%	0.872	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	33	-179.3	-67.6	-7.3	0	0	0	116.6	Q142	N140-Q142 VanDerWaalsContact C-N 3.34Å; N140-Q142 PolarHBondContact O-N 2.83Å
141	G	27.3	Very low	30.9	Very low	45 Å²	45	75.7 Å²	75.7	46%	0.464	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	11.1	165.7	0	0	0	0	0	116.3	V139	V139-G141 VanDerWaalsContact C-N 3.3Å; V139-G141 PolarHBondContact O-N 2.59Å
142	Q	25.4	Very low	31.8	Very low	144 Å²	144	75 Å²	75	67%	0.673	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-96.2	138.8	168.9	-68.9	-174.3	-22.1	0	0	110.5	N140 E144	N140-Q142 VanDerWaalsContact C-N 3.34Å; N140-Q142 PolarHBondContact O-N 2.83Å; Q142-E144 PolarHBondContact O-N 3.06Å
143	H	26.1	Very low	33	Very low	82 Å²	82	71 Å²	71	38%	0.38	39%	0.391	S	S	.	.			trans	-64.6	124.2	170.3	-72.7	-48	0	0	0	109.5	L130 I133 P145	L130-H143 WeakPolarHBondContact CD1-CE1 3.44Å; L130-H143 VanDerWaalsContact CD1-NE2 3.34Å; L130-H143 WeakPolarHBondContact CD1-NE2 3.26Å; I133-H143 VanDerWaalsContact CB-CE1 3.42Å; I133-H143 WeakPolarHBondContact CB-CE1 3.5Å; I133-H143 WeakPolarHBondContact CB-ND1 3.32Å; I133-H143 HydrophobicContact CG2-CB 4.39Å; I133-H143 WeakPolarHBondContact CG2-ND1 3.33Å; H143-P145 WeakPolarHBondContact O-CD 3.27Å
144	E	27.2	Very low	34.3	Very low	43 Å²	43	71.7 Å²	71.7	20%	0.201	41%	0.407	C	S	.	.			trans	-86.5	107.2	167.8	-83.1	-153.6	166.7	0	0	108.8	Q142 Y147 R157	Q142-E144 PolarHBondContact O-N 3.06Å; E144-Y147 HydrophobicContact CB-CE2 3.6Å; E144-Y147 HydrophobicContact CG-CE2 3.86Å; E144-Y147 WeakPolarHBondContact CG-OH 3.37Å; E144-R157 IonicContact OE1-NH1 2.96Å; E144-R157 PolarHBondContact OE1-NH1 3.12Å
145	P	32.6	Very low	35.6	Very low	36 Å²	36	75.8 Å²	75.8	23%	0.234	43%	0.427	C	S	.	.			trans	-70.6	168.9	-179	27	-34.3	0	0	0	113.4	H143 Y147 R163	H143-P145 WeakPolarHBondContact O-CD 3.27Å; P145-Y147 HydrophobicContact CG-CE1 4.07Å; P145-Y147 WeakPolarHBondContact O-CD2 3.28Å; P145-Y147 WeakPolarHBondContact O-CE2 3.23Å; P145-Y147 VanDerWaalsContact O-CG 3.31Å; P145-Y147 PolarHBondContact O-N 2.8Å; P145-R163 HydrophobicContact CB-CG 4.45Å
146	A	32	Very low	37.1	Very low	32 Å²	32	74 Å²	74	26%	0.264	41%	0.408	S	S	.	.	S	Bend	trans	-59.4	95.7	174.2	0	0	0	0	0	110.6	R327	A146-R327 HydrophobicContact CB-CG 4.32Å
147	Y	37.1	Very low	38.1	Very low	70 Å²	70	79.3 Å²	79.3	28%	0.275	43%	0.425	S	S	.	.			trans	-77	141.3	-169.2	-75	-64.6	0	0	0	114.1	E144 P145 R327	E144-Y147 HydrophobicContact CB-CE2 3.6Å; E144-Y147 HydrophobicContact CG-CE2 3.86Å; E144-Y147 WeakPolarHBondContact CG-OH 3.37Å; P145-Y147 HydrophobicContact CG-CE1 4.07Å; P145-Y147 WeakPolarHBondContact O-CD2 3.28Å; P145-Y147 WeakPolarHBondContact O-CE2 3.23Å; P145-Y147 VanDerWaalsContact O-CG 3.31Å; P145-Y147 PolarHBondContact O-N 2.8Å; Y147-R327 PolarHBondContact O-NE 3.09Å; Y147-R327 PolarHBondContact O-NH2 2.87Å
148	L	43.2	Very low	39.4	Very low	17 Å²	17	78.4 Å²	78.4	9%	0.089	43%	0.425	C	S	.	.			trans	-52.3	126.4	141.2	-53.6	161.2	0	0	0	107	T150 N151 F162 V164 I242 T243 Y244	L148-T150 PolarHBondContact O-N 3.29Å; L148-N151 HydrophobicContact CB-CB 3.88Å; L148-N151 HydrophobicContact CD1-CB 3.7Å; L148-N151 HydrophobicContact CG-CB 4.42Å; L148-F162 HydrophobicContact CD1-CB 3.48Å; L148-F162 VanDerWaalsContact CD1-CB 3.48Å; L148-F162 WeakPolarHBondContact CD1-O 3.47Å; L148-V164 HydrophobicContact CD2-CG2 4.13Å; L148-I242 HydrophobicContact CB-CG2 3.99Å; L148-I242 HydrophobicContact CD1-CG2 3.69Å; L148-I242 HydrophobicContact CD2-CG2 3.84Å; L148-I242 HydrophobicContact CG-CG2 4.03Å; L148-T243 CarbonylContact C-O 3.55Å; L148-T243 WeakPolarHBondContact CA-O 3.31Å; L148-T243 VanDerWaalsContact CB-O 3.26Å; L148-T243 WeakPolarHBondContact CB-O 3.36Å; L148-Y244 VanDerWaalsContact CD2-CB 3.43Å; L148-Y244 HydrophobicContact CD2-CD2 3.61Å; L148-Y244 HydrophobicContact CD2-CG 3.64Å
149	E	41.7	Very low	40.7	Very low	102 Å²	102	77.2 Å²	77.2	48%	0.477	42%	0.418	S	S	.	.	S	Bend	trans	-48.6	-33.6	-173.4	176.3	174.1	-168	0	0	114	V220 T243	E149-V220 WeakPolarHBondContact OE2-CG1 3.37Å; E149-V220 WeakPolarHBondContact OE2-CG2 3.41Å; E149-T243 VanDerWaalsContact CB-OG1 3.3Å; E149-T243 WeakPolarHBondContact CB-OG1 3.42Å; E149-T243 PolarHBondContact N-O 2.93Å
150	T	46.2	Very low	41.9	Very low	62 Å²	62	75.2 Å²	75.2	38%	0.38	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-145.1	129.6	164.9	63	0	0	0	0	109.1	L148 I242 T243	L148-T150 PolarHBondContact O-N 3.29Å; T150-I242 CarbonylContact O-C 3.49Å; T150-I242 VanDerWaalsContact O-CA 3.31Å; T150-I242 WeakPolarHBondContact O-CA 3.32Å; T150-T243 WeakPolarHBondContact CB-OG1 3.33Å; T150-T243 PolarHBondContact N-OG1 2.94Å; T150-T243 PolarHBondContact O-N 2.04Å; T150-T243 PolarHBondContact OG1-OG1 3.4Å
151	N	48.1	Very low	43.3	Very low	5 Å²	5	67.9 Å²	67.9	3%	0.027	37%	0.365	C	S	.	.			trans	-145.4	23.2	175.5	170	62.3	0	0	0	111.1	L148 N160 T161 F162	L148-N151 HydrophobicContact CB-CB 3.88Å; L148-N151 HydrophobicContact CD1-CB 3.7Å; L148-N151 HydrophobicContact CG-CB 4.42Å; N151-N160 WeakPolarHBondContact ND2-CA 3.38Å; N151-N160 WeakPolarHBondContact O-CA 3.5Å; N151-T161 PolarHBondContact ND2-N 2.87Å; N151-T161 PolarHBondContact O-N 2.85Å; N151-T161 PolarHBondContact OD1-OG1 3.09Å; N151-F162 VanDerWaalsContact CG-N 3.32Å; N151-F162 PolarHBondContact ND2-N 2.81Å; N151-F162 PolarHBondContact ND2-O 3.09Å; N151-F162 PolarHBondContact OD1-N 2.85Å
152	M	45.3	Very low	44.8	Very low	53 Å²	53	66.3 Å²	66.3	26%	0.261	35%	0.346	S	S	.	.	S	Bend	trans	-84.8	143	178.1	-61.1	178.7	-64.2	0	0	109.2	A154 R157	M152-A154 VanDerWaalsContact CB-O 3.25Å; M152-A154 WeakPolarHBondContact CB-O 3.14Å; M152-A154 PolarHBondContact O-N 2.76Å; M152-R157 HydrophobicContact SD-CB 4.42Å; M152-R157 HydrophobicContact SD-CG 3.74Å
153	I	49.6	Very low	46.5	Very low	69 Å²	69	65 Å²	65	35%	0.354	34%	0.335	S	S	.	.	S	Bend	trans	-69.7	110.5	154.9	-52.8	178.3	0	0	0	106	N155 D156 T159 T161 Y240	I153-N155 PolarHBondContact O-N 3.21Å; I153-D156 PolarHBondContact O-N 3.47Å; I153-T159 HydrophobicContact CB-CG2 4.17Å; I153-T159 WeakPolarHBondContact CB-OG1 3.31Å; I153-T159 HydrophobicContact CD1-CG2 4.31Å; I153-T159 HydrophobicContact CG1-CG2 4.42Å; I153-T159 PolarHBondContact N-OG1 2.78Å; I153-T159 PolarHBondContact O-OG1 2.92Å; I153-T161 HydrophobicContact CD1-CG2 4.43Å; I153-T161 HydrophobicContact CG1-CG2 4.41Å; I153-Y240 HydrophobicContact CB-CE1 4.48Å; I153-Y240 HydrophobicContact CD1-CD1 4.3Å; I153-Y240 HydrophobicContact CD1-CE1 3.43Å; I153-Y240 VanDerWaalsContact CD1-CE1 3.43Å; I153-Y240 WeakPolarHBondContact CD1-OH 3.37Å; I153-Y240 HydrophobicContact CG1-CD1 3.81Å; I153-Y240 HydrophobicContact CG1-CE1 3.44Å; I153-Y240 VanDerWaalsContact CG1-CE1 3.44Å; I153-Y240 HydrophobicContact CG2-CE1 4.38Å
154	A	54.1	Low	47.9	Very low	87 Å²	87	62.2 Å²	62.2	72%	0.719	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-126.1	-172	0	0	0	0	0	112.2	M152	M152-A154 VanDerWaalsContact CB-O 3.25Å; M152-A154 WeakPolarHBondContact CB-O 3.14Å; M152-A154 PolarHBondContact O-N 2.76Å
155	N	52	Low	49	Very low	151 Å²	151	63.2 Å²	63.2	81%	0.807	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	13.7	-178.1	-71.4	-26	0	0	0	113.5	I153	I153-N155 PolarHBondContact O-N 3.21Å
156	D	54.3	Low	49.8	Very low	71 Å²	71	65.1 Å²	65.1	38%	0.38	34%	0.335	S	S	.	.			trans	-90.6	108.9	-178.2	-174.1	-3	0	0	0	112.1	I153 N158 T159	I153-D156 PolarHBondContact O-N 3.47Å; D156-N158 PolarHBondContact O-N 2.9Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 WeakPolarHBondContact OD1-CB 3.07Å; D156-N158 PolarHBondContact OD1-N 2.67Å; D156-N158 PolarHBondContact OD1-ND2 3.1Å; D156-T159 HydrophobicContact CB-CG2 3.76Å; D156-T159 PolarHBondContact O-N 2.6Å; D156-T159 VanDerWaalsContact O-N 3.1Å; D156-T159 PolarHBondContact O-OG1 3.43Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.3Å
157	R	48.6	Very low	50.6	Low	159 Å²	159	64.4 Å²	64.4	60%	0.6	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.6	177.5	-66	-173.3	-178.6	-160.4	2	114.1	E144 M152 T159 N160	E144-R157 IonicContact OE1-NH1 2.96Å; E144-R157 PolarHBondContact OE1-NH1 3.12Å; M152-R157 HydrophobicContact SD-CB 4.42Å; M152-R157 HydrophobicContact SD-CG 3.74Å; R157-T159 PolarHBondContact O-N 2.7Å; R157-N160 PolarHBondContact O-ND2 2.89Å; R157-N160 VanDerWaalsContact O-ND2 3.09Å
158	N	51.1	Low	51.1	Low	116 Å²	116	63.4 Å²	63.4	62%	0.62	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-78.2	-11	179.3	-59.8	-54.4	0	0	0	113.2	D156 K177	D156-N158 PolarHBondContact O-N 2.9Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 WeakPolarHBondContact OD1-CB 3.07Å; D156-N158 PolarHBondContact OD1-N 2.67Å; D156-N158 PolarHBondContact OD1-ND2 3.1Å; N158-K177 PolarHBondContact O-NZ 3.01Å
159	T	54.4	Low	51.3	Low	32 Å²	32	65.6 Å²	65.6	20%	0.196	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-96.1	12.8	-176.6	65.6	0	0	0	0	113.6	I153 D156 R157 T161	I153-T159 HydrophobicContact CB-CG2 4.17Å; I153-T159 WeakPolarHBondContact CB-OG1 3.31Å; I153-T159 HydrophobicContact CD1-CG2 4.31Å; I153-T159 HydrophobicContact CG1-CG2 4.42Å; I153-T159 PolarHBondContact N-OG1 2.78Å; I153-T159 PolarHBondContact O-OG1 2.92Å; D156-T159 HydrophobicContact CB-CG2 3.76Å; D156-T159 PolarHBondContact O-N 2.6Å; D156-T159 VanDerWaalsContact O-N 3.1Å; D156-T159 PolarHBondContact O-OG1 3.43Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.3Å; R157-T159 PolarHBondContact O-N 2.7Å; T159-T161 WeakPolarHBondContact O-CG2 3.43Å; T159-T161 PolarHBondContact O-N 2.87Å
160	N	52.4	Low	52	Low	41 Å²	41	62.8 Å²	62.8	22%	0.219	33%	0.332	C	S	.	.			trans	-49.2	114.1	175	-72.6	-29.6	0	0	0	110.5	N151 R157	N151-N160 WeakPolarHBondContact ND2-CA 3.38Å; N151-N160 WeakPolarHBondContact O-CA 3.5Å; R157-N160 PolarHBondContact O-ND2 2.89Å; R157-N160 VanDerWaalsContact O-ND2 3.09Å
161	T	60.3	Low	52.4	Low	8 Å²	8	63 Å²	63	5%	0.049	33%	0.328	C	S	.	.			trans	-92.7	-41.3	-174.9	49.4	0	0	0	0	112.2	N151 I153 T159 W176 K177 Y240	N151-T161 PolarHBondContact ND2-N 2.87Å; N151-T161 PolarHBondContact O-N 2.85Å; N151-T161 PolarHBondContact OD1-OG1 3.09Å; I153-T161 HydrophobicContact CD1-CG2 4.43Å; I153-T161 HydrophobicContact CG1-CG2 4.41Å; T159-T161 WeakPolarHBondContact O-CG2 3.43Å; T159-T161 PolarHBondContact O-N 2.87Å; T161-W176 CarbonylContact O-C 3.57Å; T161-W176 WeakPolarHBondContact O-CA 3.49Å; T161-W176 WeakPolarHBondContact O-CB 3.2Å; T161-K177 PolarHBondContact O-N 3.13Å; T161-Y240 HydrophobicContact CG2-CD2 3.8Å; T161-Y240 HydrophobicContact CG2-CE2 3.57Å; T161-Y240 HydrophobicContact CG2-CG 4.47Å
162	F	60.3	Low	52.8	Low	12 Å²	12	63.1 Å²	63.1	5%	0.053	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.8	178.2	-72	-97.8	0	0	0	114.3	L148 N151 F174 E175 W176 V187 A225 I242	L148-F162 HydrophobicContact CD1-CB 3.48Å; L148-F162 VanDerWaalsContact CD1-CB 3.48Å; L148-F162 WeakPolarHBondContact CD1-O 3.47Å; N151-F162 VanDerWaalsContact CG-N 3.32Å; N151-F162 PolarHBondContact ND2-N 2.81Å; N151-F162 PolarHBondContact ND2-O 3.09Å; N151-F162 PolarHBondContact OD1-N 2.85Å; F162-F174 AromaticContact CD1-CD2 3.48Å; F162-F174 HydrophobicContact CD1-CD2 3.48Å; F162-F174 VanDerWaalsContact CD1-CD2 3.48Å; F162-F174 AromaticContact CD1-CE2 3.79Å; F162-F174 HydrophobicContact CD1-CE2 3.79Å; F162-F174 HydrophobicContact CD1-CG 4.35Å; F162-F174 AromaticContact CE1-CD2 3.78Å; F162-F174 HydrophobicContact CE1-CD2 3.78Å; F162-F174 AromaticContact CE1-CE2 3.55Å; F162-F174 HydrophobicContact CE1-CE2 3.55Å; F162-F174 HydrophobicContact CE1-CZ 4.5Å; F162-E175 CarbonylContact C-O 3.32Å; F162-W176 HydrophobicContact CD1-CB 3.61Å; F162-W176 HydrophobicContact CD1-CG 4.3Å; F162-W176 HydrophobicContact CD2-CB 4.38Å; F162-W176 HydrophobicContact CE1-CB 3.6Å; F162-W176 HydrophobicContact CE1-CD2 4.15Å; F162-W176 HydrophobicContact CE1-CE3 4.38Å; F162-W176 AromaticContact CE1-CG 3.8Å; F162-W176 HydrophobicContact CE1-CG 3.8Å; F162-W176 HydrophobicContact CE2-CB 4.35Å; F162-W176 HydrophobicContact CE2-CE3 4.08Å; F162-W176 HydrophobicContact CG-CB 3.99Å; F162-W176 HydrophobicContact CZ-CB 3.95Å; F162-W176 AromaticContact CZ-CD2 3.92Å; F162-W176 HydrophobicContact CZ-CD2 3.92Å; F162-W176 AromaticContact CZ-CE3 3.7Å; F162-W176 HydrophobicContact CZ-CE3 3.7Å; F162-W176 HydrophobicContact CZ-CG 4.03Å; F162-V187 HydrophobicContact CE2-CG1 4.45Å; F162-V187 HydrophobicContact CZ-CB 4.33Å; F162-V187 HydrophobicContact CZ-CG1 3.71Å; F162-A225 HydrophobicContact CD2-CB 4.09Å; F162-A225 HydrophobicContact CE2-CB 3.37Å; F162-A225 HydrophobicContact CZ-CB 3.88Å; F162-I242 HydrophobicContact CB-CD1 4.14Å; F162-I242 HydrophobicContact CD2-CD1 3.48Å; F162-I242 VanDerWaalsContact CD2-CD1 3.48Å; F162-I242 HydrophobicContact CE2-CD1 4.16Å; F162-I242 HydrophobicContact CG-CD1 3.87Å
163	R	59.1	Low	53.3	Low	117 Å²	117	60.9 Å²	60.9	44%	0.442	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.6	177.2	175.6	-171.9	177.9	-171	3.4	109	P145 I165 F174 E175	P145-R163 HydrophobicContact CB-CG 4.45Å; R163-I165 PolarHBondContact O-N 2.8Å; R163-F174 CarbonylContact O-C 3.57Å; R163-F174 WeakPolarHBondContact O-CA 3.28Å; R163-F174 VanDerWaalsContact O-CB 3.26Å; R163-F174 WeakPolarHBondContact O-CB 3.27Å; R163-E175 HydrophobicContact CB-CB 4.3Å; R163-E175 WeakPolarHBondContact CD-OE2 3.37Å; R163-E175 PolarHBondContact N-O 3.3Å; R163-E175 IonicContact NH1-OE2 2.78Å; R163-E175 PolarHBondContact NH1-OE2 3Å; R163-E175 VanDerWaalsContact NH1-OE2 3.14Å; R163-E175 PolarHBondContact O-N 2.85Å
164	V	56.7	Low	53.7	Low	24 Å²	24	57.8 Å²	57.8	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.4	170.8	-177.3	0	0	0	0	108.8	L148 E167 Y244	L148-V164 HydrophobicContact CD2-CG2 4.13Å; V164-E167 HydrophobicContact CG1-CG 4.06Å; V164-Y244 HydrophobicContact CG2-CE2 4.08Å
165	I	51	Low	53.8	Low	64 Å²	64	56.8 Å²	56.8	33%	0.328	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-41.1	177	-51.6	173.1	0	0	0	109.6	R163 A173 E175 M208	R163-I165 PolarHBondContact O-N 2.8Å; I165-A173 PolarHBondContact N-O 2.65Å; I165-E175 HydrophobicContact CD1-CB 3.57Å; I165-E175 HydrophobicContact CG1-CB 3.72Å; I165-M208 HydrophobicContact CD1-CE 4.12Å; I165-M208 HydrophobicContact CD1-CG 4.27Å; I165-M208 HydrophobicContact CD1-SD 3.42Å; I165-M208 WeakPolarHBondContact CD1-SD 3.42Å
166	Q	48.8	Very low	54.4	Low	75 Å²	75	49.9 Å²	49.9	35%	0.35	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.7	-174.4	-166	-179.6	0	0	0	111.2	M172 A173 L330	Q166-M172 CarbonylContact O-C 3.47Å; Q166-M172 WeakPolarHBondContact O-CA 3.38Å; Q166-A173 HydrophobicContact CB-CB 4.01Å; Q166-A173 PolarHBondContact N-O 2.71Å; Q166-A173 PolarHBondContact O-N 2.9Å; Q166-L330 HydrophobicContact CG-CD1 3.43Å; Q166-L330 VanDerWaalsContact CG-CD1 3.43Å
167	E	47.9	Very low	55	Low	18 Å²	18	52.3 Å²	52.3	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.2	169.3	-64.2	-178.6	178	0	0	110.2	V164 M172 Y244 L330	V164-E167 HydrophobicContact CG1-CG 4.06Å; E167-M172 HydrophobicContact CG-CG 4.43Å; E167-Y244 PolarHBondContact OE1-OH 2.97Å; E167-L330 WeakPolarHBondContact O-CB 3.33Å; E167-L330 WeakPolarHBondContact O-CD1 3.42Å
168	Q	47.5	Very low	55.9	Low	48 Å²	48	47.7 Å²	47.7	22%	0.224	24%	0.243	C	C	.	.			trans	-124.8	172.5	175.5	-55.5	-174.4	18	0	0	110.9	A170 F171 R249	Q168-A170 PolarHBondContact O-N 3.49Å; Q168-F171 CarbonylContact C-O 3.47Å; Q168-F171 VanDerWaalsContact CA-O 3.29Å; Q168-F171 WeakPolarHBondContact CA-O 3.43Å; Q168-F171 HydrophobicContact CB-CB 4.38Å; Q168-F171 WeakPolarHBondContact CB-O 3.48Å; Q168-F171 PolarHBondContact N-O 2.85Å; Q168-F171 PolarHBondContact O-N 2.86Å; Q168-F171 VanDerWaalsContact O-O 3.06Å; Q168-R249 PolarHBondContact O-NH1 2.56Å; Q168-R249 PolarHBondContact O-NH2 3.17Å
169	T	48	Very low	56.9	Low	64 Å²	64	42.4 Å²	42.4	39%	0.393	22%	0.215	S	C	.	.	S	Bend	trans	-55.4	-43	-174.9	-53.8	0	0	0	0	114.9	R249 T332 M333	T169-R249 PolarHBondContact O-NH1 2.83Å; T169-T332 HydrophobicContact CG2-CG2 3.82Å; T169-T332 WeakPolarHBondContact OG1-CA 3.26Å; T169-T332 WeakPolarHBondContact OG1-CB 3.21Å; T169-M333 PolarHBondContact OG1-N 3.43Å; T169-M333 PolarHBondContact OG1-O 2.94Å
170	A	55.5	Low	57.8	Low	42 Å²	42	45.5 Å²	45.5	35%	0.347	24%	0.244	S	C	.	.	S	Bend	trans	-119.5	-0.2	177.4	0	0	0	0	0	112.3	Q168 E212 A213	Q168-A170 PolarHBondContact O-N 3.49Å; A170-E212 CarbonylContact O-C 3.52Å; A170-E212 VanDerWaalsContact O-CA 3.3Å; A170-E212 WeakPolarHBondContact O-CA 3.43Å; A170-E212 WeakPolarHBondContact O-CG 3.47Å; A170-A213 PolarHBondContact O-N 2.78Å
171	F	55.9	Low	58.8	Low	68 Å²	68	46.8 Å²	46.8	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.5	-169.3	-57.4	-83.3	0	0	0	112.7	M80 Q168 L211 E212	M80-F171 HydrophobicContact CE-CB 4.18Å; M80-F171 HydrophobicContact CE-CD1 3.46Å; M80-F171 VanDerWaalsContact CE-CD1 3.46Å; M80-F171 HydrophobicContact CE-CD2 3.31Å; M80-F171 HydrophobicContact CE-CE1 3.57Å; M80-F171 HydrophobicContact CE-CE2 3.4Å; M80-F171 VanDerWaalsContact CE-CE2 3.4Å; M80-F171 HydrophobicContact CE-CG 3.35Å; M80-F171 HydrophobicContact CE-CZ 3.54Å; Q168-F171 CarbonylContact C-O 3.47Å; Q168-F171 VanDerWaalsContact CA-O 3.29Å; Q168-F171 WeakPolarHBondContact CA-O 3.43Å; Q168-F171 HydrophobicContact CB-CB 4.38Å; Q168-F171 WeakPolarHBondContact CB-O 3.48Å; Q168-F171 PolarHBondContact N-O 2.85Å; Q168-F171 PolarHBondContact O-N 2.86Å; Q168-F171 VanDerWaalsContact O-O 3.06Å; F171-L211 CarbonylContact C-O 3.41Å; F171-L211 VanDerWaalsContact C-O 3.31Å; F171-L211 WeakPolarHBondContact CA-O 3.31Å; F171-L211 VanDerWaalsContact CB-O 3.3Å; F171-L211 WeakPolarHBondContact CB-O 3.32Å; F171-E212 HydrophobicContact CD1-CB 4.44Å; F171-E212 HydrophobicContact CE1-CB 4.46Å
172	M	56.7	Low	59.7	Low	6 Å²	6	55.3 Å²	55.3	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.9	168.3	-63.4	-174.5	-74.5	0	0	108.3	Q166 E167 L210 L211 A213 Y244	Q166-M172 CarbonylContact O-C 3.47Å; Q166-M172 WeakPolarHBondContact O-CA 3.38Å; E167-M172 HydrophobicContact CG-CG 4.43Å; M172-L210 WeakPolarHBondContact O-CA 3.02Å; M172-L211 PolarHBondContact N-O 3.04Å; M172-L211 PolarHBondContact O-N 3.44Å; M172-A213 HydrophobicContact CG-CB 3.95Å; M172-Y244 HydrophobicContact CE-CE1 3.98Å; M172-Y244 HydrophobicContact SD-CE1 3.57Å; M172-Y244 VanDerWaalsContact SD-CE1 3.57Å; M172-Y244 PolarHBondContact SD-OH 2.74Å; M172-Y244 VanDerWaalsContact SD-OH 3.37Å
173	A	55.7	Low	60.5	Low	7 Å²	7	57.4 Å²	57.4	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134	166.2	0	0	0	0	0	108.9	I165 Q166 G209 L210	I165-A173 PolarHBondContact N-O 2.65Å; Q166-A173 HydrophobicContact CB-CB 4.01Å; Q166-A173 PolarHBondContact N-O 2.71Å; Q166-A173 PolarHBondContact O-N 2.9Å; A173-G209 WeakPolarHBondContact CA-O 3.47Å; A173-L210 HydrophobicContact CB-CD2 3.85Å
174	F	57.8	Low	61.3	Low	4 Å²	4	53.2 Å²	53.2	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.4	178.8	67.6	-79.3	0	0	0	110.7	F162 R163 W176 V203 M208 G209 L211	F162-F174 AromaticContact CD1-CD2 3.48Å; F162-F174 HydrophobicContact CD1-CD2 3.48Å; F162-F174 VanDerWaalsContact CD1-CD2 3.48Å; F162-F174 AromaticContact CD1-CE2 3.79Å; F162-F174 HydrophobicContact CD1-CE2 3.79Å; F162-F174 HydrophobicContact CD1-CG 4.35Å; F162-F174 AromaticContact CE1-CD2 3.78Å; F162-F174 HydrophobicContact CE1-CD2 3.78Å; F162-F174 AromaticContact CE1-CE2 3.55Å; F162-F174 HydrophobicContact CE1-CE2 3.55Å; F162-F174 HydrophobicContact CE1-CZ 4.5Å; R163-F174 CarbonylContact O-C 3.57Å; R163-F174 WeakPolarHBondContact O-CA 3.28Å; R163-F174 VanDerWaalsContact O-CB 3.26Å; R163-F174 WeakPolarHBondContact O-CB 3.27Å; F174-W176 HydrophobicContact CD2-CB 4.12Å; F174-W176 HydrophobicContact CD2-CG 4.39Å; F174-W176 HydrophobicContact CE2-CB 4.19Å; F174-W176 AromaticContact CE2-CD1 3.54Å; F174-W176 AromaticContact CE2-CG 3.98Å; F174-W176 HydrophobicContact CE2-CG 3.98Å; F174-V203 HydrophobicContact CE1-CG2 3.87Å; F174-V203 HydrophobicContact CE2-CB 4.45Å; F174-V203 HydrophobicContact CE2-CG1 3.8Å; F174-V203 HydrophobicContact CE2-CG2 3.96Å; F174-V203 HydrophobicContact CZ-CB 3.83Å; F174-V203 HydrophobicContact CZ-CG1 3.39Å; F174-V203 HydrophobicContact CZ-CG2 3.16Å; F174-M208 CarbonylContact O-C 3.4Å; F174-M208 WeakPolarHBondContact O-CA 3.04Å; F174-M208 WeakPolarHBondContact O-CB 3.32Å; F174-G209 WeakPolarHBondContact CD1-O 3.26Å; F174-G209 WeakPolarHBondContact CE1-O 3.02Å; F174-G209 PolarHBondContact N-O 2.67Å; F174-G209 PolarHBondContact O-N 2.79Å; F174-L211 HydrophobicContact CD1-CB 4.45Å; F174-L211 HydrophobicContact CD1-CD1 3.35Å; F174-L211 HydrophobicContact CD1-CD2 4.22Å; F174-L211 HydrophobicContact CD1-CG 3.39Å; F174-L211 HydrophobicContact CE1-CB 4.46Å; F174-L211 HydrophobicContact CE1-CD1 3.7Å; F174-L211 HydrophobicContact CE1-CD2 3.66Å; F174-L211 HydrophobicContact CE1-CG 3.29Å; F174-L211 HydrophobicContact CG-CD1 3.98Å; F174-L211 HydrophobicContact CG-CG 4.45Å; F174-L211 HydrophobicContact CZ-CD2 4.22Å; F174-L211 HydrophobicContact CZ-CG 4.26Å
175	E	56.9	Low	62.2	Low	66 Å²	66	54.6 Å²	54.6	31%	0.308	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.7	167.3	176.7	176.5	-147.3	0	0	107.3	F162 R163 I165 N207 M208	F162-E175 CarbonylContact C-O 3.32Å; R163-E175 HydrophobicContact CB-CB 4.3Å; R163-E175 WeakPolarHBondContact CD-OE2 3.37Å; R163-E175 PolarHBondContact N-O 3.3Å; R163-E175 IonicContact NH1-OE2 2.78Å; R163-E175 PolarHBondContact NH1-OE2 3Å; R163-E175 VanDerWaalsContact NH1-OE2 3.14Å; R163-E175 PolarHBondContact O-N 2.85Å; I165-E175 HydrophobicContact CD1-CB 3.57Å; I165-E175 HydrophobicContact CG1-CB 3.72Å; E175-N207 CarbonylContact C-O 3.56Å; E175-N207 WeakPolarHBondContact CA-O 3.39Å; E175-M208 HydrophobicContact CB-CG 4.38Å; E175-M208 HydrophobicContact CG-CE 4.37Å
176	W	63.6	Low	63.2	Low	5 Å²	5	52.1 Å²	52.1	2%	0.019	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.6	175.7	77.5	-70.1	0	0	0	112.5	T161 F162 F174 P178 M179 F184 V187 G206 N207	T161-W176 CarbonylContact O-C 3.57Å; T161-W176 WeakPolarHBondContact O-CA 3.49Å; T161-W176 WeakPolarHBondContact O-CB 3.2Å; F162-W176 HydrophobicContact CD1-CB 3.61Å; F162-W176 HydrophobicContact CD1-CG 4.3Å; F162-W176 HydrophobicContact CD2-CB 4.38Å; F162-W176 HydrophobicContact CE1-CB 3.6Å; F162-W176 HydrophobicContact CE1-CD2 4.15Å; F162-W176 HydrophobicContact CE1-CE3 4.38Å; F162-W176 AromaticContact CE1-CG 3.8Å; F162-W176 HydrophobicContact CE1-CG 3.8Å; F162-W176 HydrophobicContact CE2-CB 4.35Å; F162-W176 HydrophobicContact CE2-CE3 4.08Å; F162-W176 HydrophobicContact CG-CB 3.99Å; F162-W176 HydrophobicContact CZ-CB 3.95Å; F162-W176 AromaticContact CZ-CD2 3.92Å; F162-W176 HydrophobicContact CZ-CD2 3.92Å; F162-W176 AromaticContact CZ-CE3 3.7Å; F162-W176 HydrophobicContact CZ-CE3 3.7Å; F162-W176 HydrophobicContact CZ-CG 4.03Å; F174-W176 HydrophobicContact CD2-CB 4.12Å; F174-W176 HydrophobicContact CD2-CG 4.39Å; F174-W176 HydrophobicContact CE2-CB 4.19Å; F174-W176 AromaticContact CE2-CD1 3.54Å; F174-W176 AromaticContact CE2-CG 3.98Å; F174-W176 HydrophobicContact CE2-CG 3.98Å; W176-P178 HydrophobicContact CH2-CB 4.15Å; W176-P178 HydrophobicContact CZ2-CG 4.48Å; W176-M179 HydrophobicContact CZ3-CB 4.38Å; W176-M179 HydrophobicContact CZ3-CG 4.12Å; W176-F184 AromaticContact CH2-CE1 3.68Å; W176-F184 HydrophobicContact CH2-CE1 3.68Å; W176-F184 AromaticContact CH2-CE2 3.6Å; W176-F184 HydrophobicContact CH2-CE2 3.6Å; W176-F184 AromaticContact CH2-CZ 3.13Å; W176-F184 HydrophobicContact CH2-CZ 3.13Å; W176-F184 AromaticContact CZ2-CE1 3.77Å; W176-F184 HydrophobicContact CZ2-CE1 3.77Å; W176-F184 HydrophobicContact CZ2-CE2 4.26Å; W176-F184 AromaticContact CZ2-CZ 3.37Å; W176-F184 HydrophobicContact CZ2-CZ 3.37Å; W176-F184 HydrophobicContact CZ3-CZ 4.39Å; W176-V187 HydrophobicContact CE3-CG2 4.12Å; W176-V187 HydrophobicContact CH2-CB 4.42Å; W176-V187 HydrophobicContact CH2-CG2 3.29Å; W176-V187 HydrophobicContact CZ2-CG2 3.93Å; W176-V187 HydrophobicContact CZ3-CG2 3.38Å; W176-G206 VanDerWaalsContact CZ2-O 3.29Å; W176-G206 WeakPolarHBondContact CZ2-O 2.95Å; W176-G206 PolarHBondContact NE1-O 2.78Å; W176-N207 VanDerWaalsContact CD1-C 3.43Å; W176-N207 PolarHBondContact N-O 2.74Å; W176-N207 WeakPolarHBondContact O-CA 3.47Å; W176-N207 WeakPolarHBondContact O-CB 3.28Å
177	K	67.9	Low	64.3	Low	123 Å²	123	48.5 Å²	48.5	54%	0.535	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-89.8	121.7	171.5	-75.3	-174	-179.3	176.5	0	109.6	N158 T161 M179	N158-K177 PolarHBondContact O-NZ 3.01Å; T161-K177 PolarHBondContact O-N 3.13Å; K177-M179 PolarHBondContact O-N 3.02Å
178	P	66.6	Low	65.6	Low	61 Å²	61	49.9 Å²	49.9	40%	0.396	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-46.5	131.8	174.4	-32.2	37.4	0	0	0	113.6	W176 A180 N207	W176-P178 HydrophobicContact CH2-CB 4.15Å; W176-P178 HydrophobicContact CZ2-CG 4.48Å; P178-A180 PolarHBondContact O-N 2.72Å; P178-N207 WeakPolarHBondContact CD-OD1 3.25Å; P178-N207 WeakPolarHBondContact CG-OD1 3.49Å
179	M	72.2	Confident	66.8	Low	5 Å²	5	48.1 Å²	48.1	3%	0.025	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-64.5	131.2	172.2	-80.5	168.8	-168.1	0	0	108.9	W176 K177 H181 F184 V187 A225 G227 F237 Q238 Y240	W176-M179 HydrophobicContact CZ3-CB 4.38Å; W176-M179 HydrophobicContact CZ3-CG 4.12Å; K177-M179 PolarHBondContact O-N 3.02Å; M179-H181 PolarHBondContact O-N 2.96Å; M179-F184 HydrophobicContact CB-CD2 4.48Å; M179-V187 HydrophobicContact CE-CG1 4.02Å; M179-V187 HydrophobicContact CE-CG2 3.93Å; M179-V187 HydrophobicContact SD-CG2 3.87Å; M179-A225 HydrophobicContact CE-CB 3.78Å; M179-A225 VanDerWaalsContact CE-O 3.25Å; M179-A225 WeakPolarHBondContact CE-O 3.43Å; M179-G227 WeakPolarHBondContact SD-CA 3.37Å; M179-G227 PolarHBondContact SD-N 3.46Å; M179-G227 VanDerWaalsContact SD-N 3.42Å; M179-F237 HydrophobicContact CB-CE2 3.82Å; M179-F237 HydrophobicContact CB-CZ 3.81Å; M179-F237 HydrophobicContact SD-CE2 4.24Å; M179-F237 HydrophobicContact SD-CZ 4.16Å; M179-Q238 HydrophobicContact SD-CB 4.17Å; M179-Q238 HydrophobicContact SD-CG 4.47Å; M179-Y240 HydrophobicContact CE-CD2 3.36Å; M179-Y240 HydrophobicContact CE-CE2 3.54Å; M179-Y240 HydrophobicContact CE-CG 4.41Å; M179-Y240 HydrophobicContact CG-CD2 4.27Å; M179-Y240 HydrophobicContact CG-CE2 3.42Å; M179-Y240 VanDerWaalsContact CG-CE2 3.42Å; M179-Y240 HydrophobicContact SD-CD2 4.48Å; M179-Y240 HydrophobicContact SD-CE2 4.1Å
180	A	73	Confident	68.1	Low	98 Å²	98	45.1 Å²	45.1	81%	0.81	24%	0.238	S	C	*	.			trans	-73.9	93	-177.8	0	0	0	0	0	110.9	P178	P178-A180 PolarHBondContact O-N 2.72Å
181	H	73.1	Confident	68.8	Low	67 Å²	67	44.4 Å²	44.4	31%	0.31	23%	0.227	S	C	.	.			trans	-148.6	136.9	174.6	-170.3	-88	0	0	0	110.9	M179 D183 F184 F237	M179-H181 PolarHBondContact O-N 2.96Å; H181-D183 IonicContact CE1-OD2 2.64Å; H181-D183 PolarHBondContact ND1-N 3.23Å; H181-D183 VanDerWaalsContact ND1-N 3.17Å; H181-D183 PolarHBondContact O-N 3.38Å; H181-F184 HydrophobicContact CB-CB 4.34Å; H181-F184 WeakPolarHBondContact O-CB 3.2Å; H181-F184 PolarHBondContact O-N 2.75Å; H181-F184 VanDerWaalsContact O-N 3.17Å; H181-F237 HydrophobicContact CB-CD1 4.23Å; H181-F237 HydrophobicContact CB-CD2 3.6Å; H181-F237 HydrophobicContact CB-CE1 3.91Å; H181-F237 HydrophobicContact CB-CE2 3.29Å; H181-F237 HydrophobicContact CB-CG 4.1Å; H181-F237 HydrophobicContact CB-CZ 3.45Å; H181-F237 VanDerWaalsContact CB-CZ 3.45Å; H181-F237 AromaticContact CD2-CD2 3.44Å; H181-F237 VanDerWaalsContact CD2-CD2 3.44Å; H181-F237 WeakPolarHBondContact CD2-CD2 3Å; H181-F237 AromaticContact CD2-CG 3.44Å; H181-F237 VanDerWaalsContact CD2-CG 3.44Å; H181-F237 WeakPolarHBondContact CD2-CG 3.43Å; H181-F237 AromaticContact CG-CD1 3.81Å; H181-F237 AromaticContact CG-CD2 3.57Å; H181-F237 AromaticContact CG-CE1 3.96Å; H181-F237 AromaticContact CG-CE2 3.79Å; H181-F237 AromaticContact CG-CG 3.62Å; H181-F237 AromaticContact CG-CZ 3.97Å; H181-F237 AromaticContact ND1-CD1 3.91Å; H181-F237 AromaticContact NE2-CG 3.89Å
182	K	80.4	Confident	69.5	Low	187 Å²	187	45.2 Å²	45.2	81%	0.813	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.1	-174.6	58	166.3	-173.7	172	0	114.6
183	D	77	Confident	70.1	Confident	56 Å²	56	46.9 Å²	46.9	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	21.6	-178.2	-50.1	-39.3	0	0	0	111.4	H181 N185 N229 G230	H181-D183 IonicContact CE1-OD2 2.64Å; H181-D183 PolarHBondContact ND1-N 3.23Å; H181-D183 VanDerWaalsContact ND1-N 3.17Å; H181-D183 PolarHBondContact O-N 3.38Å; D183-N185 PolarHBondContact O-N 3.4Å; D183-N229 HydrophobicContact CB-CB 3.91Å; D183-N229 WeakPolarHBondContact O-CA 3.18Å; D183-N229 WeakPolarHBondContact O-CB 3.46Å; D183-G230 PolarHBondContact O-N 3.35Å
184	F	75.8	Confident	70.6	Confident	29 Å²	29	55.5 Å²	55.5	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	134.9	-179.9	173.5	-106.2	0	0	0	111	W176 M179 H181 Y186 V187 E205 F237	W176-F184 AromaticContact CH2-CE1 3.68Å; W176-F184 HydrophobicContact CH2-CE1 3.68Å; W176-F184 AromaticContact CH2-CE2 3.6Å; W176-F184 HydrophobicContact CH2-CE2 3.6Å; W176-F184 AromaticContact CH2-CZ 3.13Å; W176-F184 HydrophobicContact CH2-CZ 3.13Å; W176-F184 AromaticContact CZ2-CE1 3.77Å; W176-F184 HydrophobicContact CZ2-CE1 3.77Å; W176-F184 HydrophobicContact CZ2-CE2 4.26Å; W176-F184 AromaticContact CZ2-CZ 3.37Å; W176-F184 HydrophobicContact CZ2-CZ 3.37Å; W176-F184 HydrophobicContact CZ3-CZ 4.39Å; M179-F184 HydrophobicContact CB-CD2 4.48Å; H181-F184 HydrophobicContact CB-CB 4.34Å; H181-F184 WeakPolarHBondContact O-CB 3.2Å; H181-F184 PolarHBondContact O-N 2.75Å; H181-F184 VanDerWaalsContact O-N 3.17Å; F184-Y186 WeakPolarHBondContact CE2-O 3.36Å; F184-V187 HydrophobicContact CE2-CG2 3.6Å; F184-V187 HydrophobicContact CZ-CG2 3.96Å; F184-E205 HydrophobicContact CE1-CB 4.44Å; F184-E205 HydrophobicContact CE1-CG 4.3Å; F184-F237 HydrophobicContact CB-CZ 4.48Å; F184-F237 AromaticContact CD2-CE1 4Å; F184-F237 HydrophobicContact CD2-CE1 4Å; F184-F237 AromaticContact CD2-CZ 3.75Å; F184-F237 HydrophobicContact CD2-CZ 3.75Å
185	N	75	Confident	71	Confident	54 Å²	54	63.8 Å²	63.8	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-45.4	179.7	-174	10	0	0	0	112.1	D183 E205 H228 G230	D183-N185 PolarHBondContact O-N 3.4Å; N185-E205 PolarHBondContact O-N 3.25Å; N185-E205 VanDerWaalsContact O-N 3.09Å; N185-H228 PolarHBondContact N-O 3.05Å; N185-G230 VanDerWaalsContact ND2-CA 3.31Å; N185-G230 WeakPolarHBondContact ND2-CA 3.18Å
186	Y	71.6	Confident	71.4	Confident	11 Å²	11	70.1 Å²	70.1	4%	0.043	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.8	179.7	63.9	-97.7	0	0	0	111.6	F184 F188 K202 V203 H228 F234	F184-Y186 WeakPolarHBondContact CE2-O 3.36Å; Y186-F188 HydrophobicContact CD2-CD2 4.3Å; Y186-F188 HydrophobicContact CD2-CE2 4.3Å; Y186-F188 AromaticContact CE2-CD2 3.63Å; Y186-F188 HydrophobicContact CE2-CD2 3.63Å; Y186-F188 AromaticContact CE2-CE2 3.37Å; Y186-F188 HydrophobicContact CE2-CE2 3.37Å; Y186-F188 HydrophobicContact CE2-CG 4.41Å; Y186-F188 AromaticContact CE2-CZ 3.99Å; Y186-F188 HydrophobicContact CE2-CZ 3.99Å; Y186-K202 HydrophobicContact CD2-CD 4.19Å; Y186-K202 HydrophobicContact CD2-CG 3.89Å; Y186-K202 HydrophobicContact CE2-CD 4.4Å; Y186-K202 HydrophobicContact CE2-CG 4.42Å; Y186-K202 HydrophobicContact CG-CD 4.37Å; Y186-K202 HydrophobicContact CG-CG 4.26Å; Y186-V203 CarbonylContact C-O 3.52Å; Y186-V203 WeakPolarHBondContact CA-O 3.34Å; Y186-V203 WeakPolarHBondContact CB-O 3.39Å; Y186-H228 HydrophobicContact CD1-CB 4.28Å; Y186-H228 HydrophobicContact CD2-CB 3.92Å; Y186-H228 HydrophobicContact CE1-CB 3.82Å; Y186-H228 HydrophobicContact CE2-CB 3.4Å; Y186-H228 AromaticContact CE2-CD2 3.5Å; Y186-H228 AromaticContact CE2-CG 3.43Å; Y186-H228 VanDerWaalsContact CE2-CG 3.43Å; Y186-H228 HydrophobicContact CG-CB 4.32Å; Y186-H228 AromaticContact CZ-CG 3.63Å; Y186-H228 PolarHBondContact O-N 2.9Å; Y186-F234 HydrophobicContact CE1-CD1 4.42Å; Y186-F234 HydrophobicContact CE1-CE1 4.5Å
187	V	73.2	Confident	71.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	169.4	176.7	0	0	0	0	110.1	F162 W176 M179 F184 V203 A225 E226	F162-V187 HydrophobicContact CE2-CG1 4.45Å; F162-V187 HydrophobicContact CZ-CB 4.33Å; F162-V187 HydrophobicContact CZ-CG1 3.71Å; W176-V187 HydrophobicContact CE3-CG2 4.12Å; W176-V187 HydrophobicContact CH2-CB 4.42Å; W176-V187 HydrophobicContact CH2-CG2 3.29Å; W176-V187 HydrophobicContact CZ2-CG2 3.93Å; W176-V187 HydrophobicContact CZ3-CG2 3.38Å; M179-V187 HydrophobicContact CE-CG1 4.02Å; M179-V187 HydrophobicContact CE-CG2 3.93Å; M179-V187 HydrophobicContact SD-CG2 3.87Å; F184-V187 HydrophobicContact CE2-CG2 3.6Å; F184-V187 HydrophobicContact CZ-CG2 3.96Å; V187-V203 HydrophobicContact CB-CB 4.45Å; V187-V203 PolarHBondContact N-O 3.07Å; V187-V203 WeakPolarHBondContact O-CA 3.01Å; V187-V203 WeakPolarHBondContact O-CB 3.43Å; V187-V203 PolarHBondContact O-N 3.26Å; V187-A225 HydrophobicContact CG1-CB 3.87Å; V187-E226 CarbonylContact C-O 3.42Å; V187-E226 VanDerWaalsContact CA-O 3.25Å; V187-E226 WeakPolarHBondContact CA-O 3.38Å
188	F	75.1	Confident	72	Confident	46 Å²	46	71.8 Å²	71.8	20%	0.202	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.3	158.9	-79.9	-65.9	0	0	0	109.5	Y186 V190 A201 K202 A225 E226 H228	Y186-F188 HydrophobicContact CD2-CD2 4.3Å; Y186-F188 HydrophobicContact CD2-CE2 4.3Å; Y186-F188 AromaticContact CE2-CD2 3.63Å; Y186-F188 HydrophobicContact CE2-CD2 3.63Å; Y186-F188 AromaticContact CE2-CE2 3.37Å; Y186-F188 HydrophobicContact CE2-CE2 3.37Å; Y186-F188 HydrophobicContact CE2-CG 4.41Å; Y186-F188 AromaticContact CE2-CZ 3.99Å; Y186-F188 HydrophobicContact CE2-CZ 3.99Å; F188-V190 HydrophobicContact CB-CG2 3.76Å; F188-A201 WeakPolarHBondContact CA-O 3.29Å; F188-K202 HydrophobicContact CD1-CB 3.89Å; F188-K202 HydrophobicContact CD1-CG 4.23Å; F188-K202 HydrophobicContact CE1-CB 3.54Å; F188-K202 HydrophobicContact CE1-CD 4.18Å; F188-K202 HydrophobicContact CE1-CG 3.84Å; F188-K202 HydrophobicContact CZ-CB 4.38Å; F188-K202 HydrophobicContact CZ-CD 4.19Å; F188-K202 HydrophobicContact CZ-CG 4.24Å; F188-A225 CarbonylContact O-C 3.49Å; F188-A225 VanDerWaalsContact O-CA 3.26Å; F188-A225 WeakPolarHBondContact O-CA 3.46Å; F188-E226 HydrophobicContact CB-CB 4.46Å; F188-E226 PolarHBondContact N-O 2.75Å; F188-E226 PolarHBondContact O-N 3.45Å; F188-H228 AromaticContact CD2-CD2 3.64Å; F188-H228 AromaticContact CD2-NE2 3.43Å; F188-H228 WeakPolarHBondContact CD2-NE2 3.36Å
189	L	71.2	Confident	72.1	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.058	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.8	153.9	-168.4	73.4	0	0	0	107.5	T200 A201 L211 Y223 I242	L189-T200 CarbonylContact O-C 3.57Å; L189-T200 WeakPolarHBondContact O-CA 3.3Å; L189-A201 PolarHBondContact N-O 2.64Å; L189-A201 PolarHBondContact O-N 2.96Å; L189-L211 HydrophobicContact CB-CD1 4.36Å; L189-L211 HydrophobicContact CB-CD2 3.77Å; L189-L211 HydrophobicContact CD2-CD1 3.39Å; L189-L211 HydrophobicContact CD2-CD2 4.26Å; L189-L211 HydrophobicContact CD2-CG 4.33Å; L189-L211 HydrophobicContact CG-CD1 4.46Å; L189-Y223 HydrophobicContact CD1-CG 4.33Å; L189-Y223 HydrophobicContact CD2-CD1 3.88Å; L189-Y223 HydrophobicContact CD2-CE1 4.44Å; L189-Y223 HydrophobicContact CD2-CG 4.25Å; L189-Y223 HydrophobicContact CG-CD1 4.08Å; L189-Y223 HydrophobicContact CG-CG 4.33Å; L189-I242 HydrophobicContact CD1-CD1 3.77Å
190	V	75.1	Confident	72	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126	-178.3	-179.2	0	0	0	0	108.5	F188 D198 V199 T200 Y223 R224 E226	F188-V190 HydrophobicContact CB-CG2 3.76Å; V190-D198 HydrophobicContact CG1-CB 3.69Å; V190-V199 WeakPolarHBondContact CA-O 3.3Å; V190-T200 HydrophobicContact CB-CG2 4.28Å; V190-T200 HydrophobicContact CG1-CG2 3.98Å; V190-T200 HydrophobicContact CG2-CG2 3.82Å; V190-Y223 CarbonylContact O-C 3.48Å; V190-Y223 WeakPolarHBondContact O-CA 3.34Å; V190-R224 HydrophobicContact CB-CG 3.63Å; V190-R224 HydrophobicContact CG1-CG 4.15Å; V190-R224 HydrophobicContact CG2-CG 4.35Å; V190-R224 PolarHBondContact N-O 3.33Å; V190-R224 PolarHBondContact O-N 2.91Å; V190-E226 HydrophobicContact CG2-CG 4.35Å
191	Q	70.5	Confident	71.7	Confident	26 Å²	26	70.5 Å²	70.5	12%	0.121	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.1	166.9	-166.2	-161.8	37	0	0	108.8	V193 V199 I214 S221 Y223	Q191-V193 PolarHBondContact O-N 2.86Å; Q191-V199 PolarHBondContact N-O 2.7Å; Q191-V199 PolarHBondContact O-N 2.53Å; Q191-I214 HydrophobicContact CB-CG2 3.83Å; Q191-I214 VanDerWaalsContact CD-CG2 3.42Å; Q191-I214 HydrophobicContact CG-CG2 4.17Å; Q191-S221 PolarHBondContact NE2-OG 3.21Å; Q191-Y223 HydrophobicContact CB-CD1 3.7Å; Q191-Y223 HydrophobicContact CB-CE1 3.75Å; Q191-Y223 HydrophobicContact CG-CD1 3.95Å; Q191-Y223 HydrophobicContact CG-CE1 3.73Å
192	D	70.9	Confident	71.5	Confident	85 Å²	85	70 Å²	70	46%	0.455	34%	0.337	S	S	.	.			trans	-71.7	109.4	173.6	-67.5	-12.4	0	0	0	109	R224	D192-R224 IonicContact OD1-CZ 3.76Å; D192-R224 IonicContact OD1-NE 3.2Å; D192-R224 IonicContact OD1-NH1 3.98Å; D192-R224 PolarHBondContact OD1-NH1 3.06Å; D192-R224 IonicContact OD2-NH1 2.96Å
193	V	68.9	Low	70.7	Confident	41 Å²	41	61.2 Å²	61.2	25%	0.248	30%	0.299	C	S	.	.			trans	-103.1	110.8	176.5	-170.1	0	0	0	0	109.3	Q191 F195 W196 V199	Q191-V193 PolarHBondContact O-N 2.86Å; V193-F195 PolarHBondContact O-N 3.27Å; V193-W196 HydrophobicContact CB-CB 3.99Å; V193-W196 HydrophobicContact CG1-CB 3.67Å; V193-W196 HydrophobicContact CG1-CG 3.99Å; V193-W196 PolarHBondContact O-N 2.68Å; V193-V199 HydrophobicContact CG2-CG2 3.84Å
194	Y	67.3	Low	70.1	Confident	189 Å²	189	61.9 Å²	61.9	74%	0.741	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	125.3	-179.1	-169.2	-116.1	0	0	0	111.2	W196	Y194-W196 VanDerWaalsContact C-N 3.29Å; Y194-W196 VanDerWaalsContact O-CD1 3.3Å; Y194-W196 PolarHBondContact O-N 3.09Å
195	F	65.7	Low	69.2	Low	177 Å²	177	66.8 Å²	66.8	78%	0.776	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	2.3	-173.3	-65	-67.4	0	0	0	117.7	V193	V193-F195 PolarHBondContact O-N 3.27Å
196	W	64.4	Low	68.4	Low	200 Å²	200	64.6 Å²	64.6	76%	0.758	31%	0.312	S	S	*	.	S	Bend	trans	-123	169.8	179.2	-62.4	86.9	0	0	0	111.3	V193 Y194 D198	V193-W196 HydrophobicContact CB-CB 3.99Å; V193-W196 HydrophobicContact CG1-CB 3.67Å; V193-W196 HydrophobicContact CG1-CG 3.99Å; V193-W196 PolarHBondContact O-N 2.68Å; Y194-W196 VanDerWaalsContact C-N 3.29Å; Y194-W196 VanDerWaalsContact O-CD1 3.3Å; Y194-W196 PolarHBondContact O-N 3.09Å; W196-D198 PolarHBondContact O-N 2.73Å
197	S	73	Confident	67.8	Low	100 Å²	100	67.7 Å²	67.7	70%	0.699	33%	0.329	S	S	*	.			trans	-63.9	133.1	167.8	51.3	0	0	0	0	109.5	V199	S197-V199 PolarHBondContact O-N 3.13Å
198	D	72.3	Confident	66.9	Low	63 Å²	63	69.1 Å²	69.1	34%	0.337	34%	0.336	S	S	.	.			trans	-45.3	130.4	169.9	-74.5	-3.3	0	0	0	110.5	V190 W196 T200 R224	V190-D198 HydrophobicContact CG1-CB 3.69Å; W196-D198 PolarHBondContact O-N 2.73Å; D198-T200 HydrophobicContact CB-CG2 4.19Å; D198-R224 IonicContact OD2-CZ 3.52Å; D198-R224 IonicContact OD2-NH1 2.62Å; D198-R224 PolarHBondContact OD2-NH1 2.77Å; D198-R224 IonicContact OD2-NH2 3.39Å; D198-R224 PolarHBondContact OD2-NH2 3.01Å
199	V	68.3	Low	66	Low	50 Å²	50	67.3 Å²	67.3	30%	0.303	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.8	172	-171.3	0	0	0	0	106.8	V190 Q191 V193 S197 I214	V190-V199 WeakPolarHBondContact CA-O 3.3Å; Q191-V199 PolarHBondContact N-O 2.7Å; Q191-V199 PolarHBondContact O-N 2.53Å; V193-V199 HydrophobicContact CG2-CG2 3.84Å; S197-V199 PolarHBondContact O-N 3.13Å; V199-I214 HydrophobicContact CB-CD1 4.14Å; V199-I214 HydrophobicContact CB-CG1 4.46Å; V199-I214 HydrophobicContact CB-CG2 3.94Å; V199-I214 HydrophobicContact CG1-CD1 3.47Å; V199-I214 VanDerWaalsContact CG1-CD1 3.47Å; V199-I214 HydrophobicContact CG1-CG1 3.66Å; V199-I214 HydrophobicContact CG1-CG2 3.95Å; V199-I214 HydrophobicContact CG2-CG2 4.39Å
200	T	70.1	Confident	65.2	Low	74 Å²	74	68.7 Å²	68.7	45%	0.454	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.8	-174.6	67.6	0	0	0	0	110.7	L189 V190 D198	L189-T200 CarbonylContact O-C 3.57Å; L189-T200 WeakPolarHBondContact O-CA 3.3Å; V190-T200 HydrophobicContact CB-CG2 4.28Å; V190-T200 HydrophobicContact CG1-CG2 3.98Å; V190-T200 HydrophobicContact CG2-CG2 3.82Å; D198-T200 HydrophobicContact CB-CG2 4.19Å
201	A	66.3	Low	64.3	Low	12 Å²	12	68.9 Å²	68.9	10%	0.099	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126	173.2	0	0	0	0	0	109.2	F188 L189 L211 I214	F188-A201 WeakPolarHBondContact CA-O 3.29Å; L189-A201 PolarHBondContact N-O 2.64Å; L189-A201 PolarHBondContact O-N 2.96Å; A201-L211 HydrophobicContact CB-CB 4.19Å; A201-L211 HydrophobicContact CB-CD2 3.39Å; A201-L211 HydrophobicContact CB-CG 4.38Å; A201-I214 HydrophobicContact CB-CD1 4.39Å
202	K	69.2	Low	63.8	Low	57 Å²	57	73 Å²	73	25%	0.248	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.3	-174.2	-166.6	175.5	179.1	171.7	0	111.1	Y186 F188 Y204	Y186-K202 HydrophobicContact CD2-CD 4.19Å; Y186-K202 HydrophobicContact CD2-CG 3.89Å; Y186-K202 HydrophobicContact CE2-CD 4.4Å; Y186-K202 HydrophobicContact CE2-CG 4.42Å; Y186-K202 HydrophobicContact CG-CD 4.37Å; Y186-K202 HydrophobicContact CG-CG 4.26Å; F188-K202 HydrophobicContact CD1-CB 3.89Å; F188-K202 HydrophobicContact CD1-CG 4.23Å; F188-K202 HydrophobicContact CE1-CB 3.54Å; F188-K202 HydrophobicContact CE1-CD 4.18Å; F188-K202 HydrophobicContact CE1-CG 3.84Å; F188-K202 HydrophobicContact CZ-CB 4.38Å; F188-K202 HydrophobicContact CZ-CD 4.19Å; F188-K202 HydrophobicContact CZ-CG 4.24Å; K202-Y204 HydrophobicContact CD-CE1 4.41Å; K202-Y204 HydrophobicContact CD-CE2 4.19Å; K202-Y204 HydrophobicContact CG-CE2 4.41Å
203	V	64.9	Low	63.3	Low	3 Å²	3	70 Å²	70	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.8	179.6	-178.2	0	0	0	0	108.3	F174 Y186 V187 L211	F174-V203 HydrophobicContact CE1-CG2 3.87Å; F174-V203 HydrophobicContact CE2-CB 4.45Å; F174-V203 HydrophobicContact CE2-CG1 3.8Å; F174-V203 HydrophobicContact CE2-CG2 3.96Å; F174-V203 HydrophobicContact CZ-CB 3.83Å; F174-V203 HydrophobicContact CZ-CG1 3.39Å; F174-V203 HydrophobicContact CZ-CG2 3.16Å; Y186-V203 CarbonylContact C-O 3.52Å; Y186-V203 WeakPolarHBondContact CA-O 3.34Å; Y186-V203 WeakPolarHBondContact CB-O 3.39Å; V187-V203 HydrophobicContact CB-CB 4.45Å; V187-V203 PolarHBondContact N-O 3.07Å; V187-V203 WeakPolarHBondContact O-CA 3.01Å; V187-V203 WeakPolarHBondContact O-CB 3.43Å; V187-V203 PolarHBondContact O-N 3.26Å; V203-L211 HydrophobicContact CG2-CD2 3.78Å
204	Y	63.3	Low	62.9	Low	70 Å²	70	68.6 Å²	68.6	28%	0.275	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	169.2	176.6	-70.8	-87.1	0	0	0	112.1	K74 Y76 K202 G206	K74-Y204 HydrophobicContact CB-CE1 4.34Å; K74-Y204 WeakPolarHBondContact O-CE2 3.2Å; K74-Y204 PolarHBondContact O-OH 3.32Å; Y76-Y204 WeakPolarHBondContact CE2-OH 3.22Å; K202-Y204 HydrophobicContact CD-CE1 4.41Å; K202-Y204 HydrophobicContact CD-CE2 4.19Å; K202-Y204 HydrophobicContact CG-CE2 4.41Å; Y204-G206 PolarHBondContact O-N 2.79Å
205	E	56.2	Low	62.8	Low	132 Å²	132	60.4 Å²	60.4	62%	0.617	31%	0.309	S	S	*	.	S	Bend	trans	-45.8	137.8	176.5	-171.5	175.2	-169.4	0	0	112.6	F184 N185	F184-E205 HydrophobicContact CE1-CB 4.44Å; F184-E205 HydrophobicContact CE1-CG 4.3Å; N185-E205 PolarHBondContact O-N 3.25Å; N185-E205 VanDerWaalsContact O-N 3.09Å
206	G	59.2	Low	63.3	Low	8 Å²	8	57.3 Å²	57.3	8%	0.082	30%	0.297	C	S	.	.	S	Bend	trans	133.2	-175.6	-178.2	0	0	0	0	0	112.1	W176 Y204	W176-G206 VanDerWaalsContact CZ2-O 3.29Å; W176-G206 WeakPolarHBondContact CZ2-O 2.95Å; W176-G206 PolarHBondContact NE1-O 2.78Å; Y204-G206 PolarHBondContact O-N 2.79Å
207	N	58.8	Low	64	Low	75 Å²	75	47.9 Å²	47.9	40%	0.401	26%	0.261	S	S	.	.	S	Bend	trans	-102	6	-178.1	-61.2	-17.2	0	0	0	112.2	E175 W176 P178	E175-N207 CarbonylContact C-O 3.56Å; E175-N207 WeakPolarHBondContact CA-O 3.39Å; W176-N207 VanDerWaalsContact CD1-C 3.43Å; W176-N207 PolarHBondContact N-O 2.74Å; W176-N207 WeakPolarHBondContact O-CA 3.47Å; W176-N207 WeakPolarHBondContact O-CB 3.28Å; P178-N207 WeakPolarHBondContact CD-OD1 3.25Å; P178-N207 WeakPolarHBondContact CG-OD1 3.49Å
208	M	54.6	Low	64.4	Low	31 Å²	31	44.2 Å²	44.2	15%	0.153	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.4	-176.6	-59.3	-156.7	-167.6	0	0	112.5	Q40 I165 F174 E175	Q40-M208 PolarHBondContact NE2-SD 2.84Å; Q40-M208 PolarHBondContact OE1-SD 2.84Å; I165-M208 HydrophobicContact CD1-CE 4.12Å; I165-M208 HydrophobicContact CD1-CG 4.27Å; I165-M208 HydrophobicContact CD1-SD 3.42Å; I165-M208 WeakPolarHBondContact CD1-SD 3.42Å; F174-M208 CarbonylContact O-C 3.4Å; F174-M208 WeakPolarHBondContact O-CA 3.04Å; F174-M208 WeakPolarHBondContact O-CB 3.32Å; E175-M208 HydrophobicContact CB-CG 4.38Å; E175-M208 HydrophobicContact CG-CE 4.37Å
209	G	55.6	Low	64.9	Low	8 Å²	8	45.6 Å²	45.6	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	179.5	168.6	0	0	0	0	0	113.2	A173 F174	A173-G209 WeakPolarHBondContact CA-O 3.47Å; F174-G209 WeakPolarHBondContact CD1-O 3.26Å; F174-G209 WeakPolarHBondContact CE1-O 3.02Å; F174-G209 PolarHBondContact N-O 2.67Å; F174-G209 PolarHBondContact O-N 2.79Å
210	L	53.7	Low	65.4	Low	39 Å²	39	46.6 Å²	46.6	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	171.6	-72.2	161.5	0	0	0	108.2	M80 M172 A173	M80-L210 HydrophobicContact CB-CD1 4.2Å; M80-L210 HydrophobicContact CE-CD1 4.09Å; M80-L210 HydrophobicContact SD-CD1 3.97Å; M172-L210 WeakPolarHBondContact O-CA 3.02Å; A173-L210 HydrophobicContact CB-CD2 3.85Å
211	L	58.1	Low	65.6	Low	6 Å²	6	43.7 Å²	43.7	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.3	172.4	-58.9	160.8	0	0	0	107.6	F171 M172 F174 L189 A201 V203 A213	F171-L211 CarbonylContact C-O 3.41Å; F171-L211 VanDerWaalsContact C-O 3.31Å; F171-L211 WeakPolarHBondContact CA-O 3.31Å; F171-L211 VanDerWaalsContact CB-O 3.3Å; F171-L211 WeakPolarHBondContact CB-O 3.32Å; M172-L211 PolarHBondContact N-O 3.04Å; M172-L211 PolarHBondContact O-N 3.44Å; F174-L211 HydrophobicContact CD1-CB 4.45Å; F174-L211 HydrophobicContact CD1-CD1 3.35Å; F174-L211 HydrophobicContact CD1-CD2 4.22Å; F174-L211 HydrophobicContact CD1-CG 3.39Å; F174-L211 HydrophobicContact CE1-CB 4.46Å; F174-L211 HydrophobicContact CE1-CD1 3.7Å; F174-L211 HydrophobicContact CE1-CD2 3.66Å; F174-L211 HydrophobicContact CE1-CG 3.29Å; F174-L211 HydrophobicContact CG-CD1 3.98Å; F174-L211 HydrophobicContact CG-CG 4.45Å; F174-L211 HydrophobicContact CZ-CD2 4.22Å; F174-L211 HydrophobicContact CZ-CG 4.26Å; L189-L211 HydrophobicContact CB-CD1 4.36Å; L189-L211 HydrophobicContact CB-CD2 3.77Å; L189-L211 HydrophobicContact CD2-CD1 3.39Å; L189-L211 HydrophobicContact CD2-CD2 4.26Å; L189-L211 HydrophobicContact CD2-CG 4.33Å; L189-L211 HydrophobicContact CG-CD1 4.46Å; A201-L211 HydrophobicContact CB-CB 4.19Å; A201-L211 HydrophobicContact CB-CD2 3.39Å; A201-L211 HydrophobicContact CB-CG 4.38Å; V203-L211 HydrophobicContact CG2-CD2 3.78Å; L211-A213 PolarHBondContact O-N 3.34Å
212	E	59.8	Low	66.1	Low	113 Å²	113	50.3 Å²	50.3	53%	0.528	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	140.3	157	-164.8	171.9	176.8	0	0	108.3	A170 F171 I214	A170-E212 CarbonylContact O-C 3.52Å; A170-E212 VanDerWaalsContact O-CA 3.3Å; A170-E212 WeakPolarHBondContact O-CA 3.43Å; A170-E212 WeakPolarHBondContact O-CG 3.47Å; F171-E212 HydrophobicContact CD1-CB 4.44Å; F171-E212 HydrophobicContact CE1-CB 4.46Å; E212-I214 HydrophobicContact CB-CG1 4.23Å; E212-I214 WeakPolarHBondContact O-CG1 3.44Å; E212-I214 PolarHBondContact O-N 2.69Å
213	A	59	Low	66.2	Low	21 Å²	21	48 Å²	48	17%	0.174	25%	0.245	C	C	.	.			trans	-74.6	95.8	177	0	0	0	0	0	108.7	A170 M172 L211	A170-A213 PolarHBondContact O-N 2.78Å; M172-A213 HydrophobicContact CG-CB 3.95Å; L211-A213 PolarHBondContact O-N 3.34Å
214	I	60.3	Low	66.8	Low	12 Å²	12	50.7 Å²	50.7	6%	0.062	26%	0.255	C	S	.	.			trans	-94.1	144.4	-177.3	-54.8	158.8	0	0	0	108.5	Q191 V199 A201 E212 Y223	Q191-I214 HydrophobicContact CB-CG2 3.83Å; Q191-I214 VanDerWaalsContact CD-CG2 3.42Å; Q191-I214 HydrophobicContact CG-CG2 4.17Å; V199-I214 HydrophobicContact CB-CD1 4.14Å; V199-I214 HydrophobicContact CB-CG1 4.46Å; V199-I214 HydrophobicContact CB-CG2 3.94Å; V199-I214 HydrophobicContact CG1-CD1 3.47Å; V199-I214 VanDerWaalsContact CG1-CD1 3.47Å; V199-I214 HydrophobicContact CG1-CG1 3.66Å; V199-I214 HydrophobicContact CG1-CG2 3.95Å; V199-I214 HydrophobicContact CG2-CG2 4.39Å; A201-I214 HydrophobicContact CB-CD1 4.39Å; E212-I214 HydrophobicContact CB-CG1 4.23Å; E212-I214 WeakPolarHBondContact O-CG1 3.44Å; E212-I214 PolarHBondContact O-N 2.69Å; I214-Y223 HydrophobicContact CB-CE1 4.28Å; I214-Y223 HydrophobicContact CG2-CE1 4.48Å; I214-Y223 PolarHBondContact O-OH 3.48Å
215	G	65.7	Low	67.3	Low	18 Å²	18	47.4 Å²	47.4	19%	0.186	24%	0.242	C	C	.	.	S	Bend	trans	97.2	151.8	175.1	0	0	0	0	0	116.5	R246	G215-R246 PolarHBondContact O-NE 3.02Å; G215-R246 PolarHBondContact O-NH2 3.45Å
216	E	76.5	Confident	68.4	Low	112 Å²	112	42.3 Å²	42.3	52%	0.523	22%	0.218	S	C	.	.			trans	-74.3	144.1	179.9	-70.6	-60.2	141.1	0	0	112	E219	E216-E219 HydrophobicContact CB-CB 4.25Å; E216-E219 HydrophobicContact CB-CG 4.42Å; E216-E219 PolarHBondContact O-N 2.83Å
217	P	78.4	Confident	69.4	Low	1 Å²	1	42 Å²	42	1%	0.006	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	147.6	176.4	29.2	-25.7	0	0	0	109.7	E219 P248 E270 R271	P217-E219 PolarHBondContact O-N 2.72Å; P217-P248 HydrophobicContact CB-CB 4.22Å; P217-P248 HydrophobicContact CB-CG 4.06Å; P217-E270 HydrophobicContact CG-CG 4.25Å; P217-R271 HydrophobicContact CB-CB 4.41Å; P217-R271 HydrophobicContact CG-CB 3.6Å; P217-R271 HydrophobicContact CG-CG 4.37Å; P217-R271 VanDerWaalsContact O-CD 3.32Å; P217-R271 WeakPolarHBondContact O-CD 3.19Å; P217-R271 PolarHBondContact O-NH1 2.66Å
218	C	82.1	Confident	70.4	Confident	24 Å²	24	39.2 Å²	39.2	16%	0.162	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-1.6	-175.6	-52.5	0	0	0	0	116.9	K245 R246 P248 C274	C218-K245 VanDerWaalsContact O-CE 3.26Å; C218-K245 WeakPolarHBondContact O-CE 3.48Å; C218-R246 PolarHBondContact N-O 3.49Å; C218-P248 VanDerWaalsContact SG-CD 3.54Å; C218-P248 WeakPolarHBondContact SG-CG 3.16Å; C218-C274 WeakPolarHBondContact CA-SG 3.3Å; C218-C274 HydrophobicContact CB-CB 3.64Å; C218-C274 WeakPolarHBondContact CB-SG 3.42Å; C218-C274 WeakPolarHBondContact SG-CA 3.31Å; C218-C274 WeakPolarHBondContact SG-CB 3.21Å; C218-C274 PolarHBondContact SG-N 2.83Å; C218-C274 VanDerWaalsContact SG-N 3.36Å; C218-C274 CovalentContact SG-SG 2.04Å; C218-C274 PolarHBondContact SG-SG 2.76Å
219	E	83.1	Confident	71.7	Confident	91 Å²	91	38.1 Å²	38.1	43%	0.425	19%	0.194	S	C	.	.	S	Bend	trans	-102.6	136.1	174.5	-73.4	173.6	-152.4	0	0	110.4	E216 P217 S221 K245 R271	E216-E219 HydrophobicContact CB-CB 4.25Å; E216-E219 HydrophobicContact CB-CG 4.42Å; E216-E219 PolarHBondContact O-N 2.83Å; P217-E219 PolarHBondContact O-N 2.72Å; E219-S221 PolarHBondContact O-N 2.81Å; E219-K245 WeakPolarHBondContact O-CA 3.04Å; E219-R271 IonicContact OE1-CZ 2.65Å; E219-R271 IonicContact OE1-NH1 2.71Å; E219-R271 PolarHBondContact OE1-NH1 2.88Å; E219-R271 IonicContact OE1-NH2 2.9Å; E219-R271 PolarHBondContact OE1-NH2 2.87Å
220	V	78.3	Confident	72.2	Confident	72 Å²	72	39.9 Å²	39.9	44%	0.436	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.9	172.3	-178.8	0	0	0	0	107.5	E149 T243 K245	E149-V220 WeakPolarHBondContact OE2-CG1 3.37Å; E149-V220 WeakPolarHBondContact OE2-CG2 3.41Å; V220-T243 HydrophobicContact CG1-CG2 4.34Å; V220-K245 HydrophobicContact CG2-CB 4.08Å; V220-K245 HydrophobicContact CG2-CD 4.27Å
221	S	74.3	Confident	72.9	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.2	172	-69.6	0	0	0	0	109.8	Q191 E219 Y223 T243 Y244	Q191-S221 PolarHBondContact NE2-OG 3.21Å; E219-S221 PolarHBondContact O-N 2.81Å; S221-Y223 WeakPolarHBondContact CB-OH 3.32Å; S221-Y223 WeakPolarHBondContact O-CD2 3.28Å; S221-Y223 WeakPolarHBondContact O-CE2 3.18Å; S221-T243 CarbonylContact O-C 3.59Å; S221-T243 WeakPolarHBondContact O-CA 3.15Å; S221-Y244 PolarHBondContact N-O 3.03Å; S221-Y244 PolarHBondContact O-N 2.8Å
222	K	76.1	Confident	72.9	Confident	152 Å²	152	48.9 Å²	48.9	66%	0.661	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.3	169.4	-67	-176.4	178.6	-176	0	108.6	I242 T243	K222-I242 CarbonylContact C-O 3.09Å; K222-I242 WeakPolarHBondContact CA-O 3.35Å; K222-T243 HydrophobicContact CG-CG2 4.18Å
223	Y	73.2	Confident	73	Confident	7 Å²	7	52 Å²	52	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.1	174	-52.5	-92.6	0	0	0	108.5	L189 V190 Q191 I214 S221 I242 Y244	L189-Y223 HydrophobicContact CD1-CG 4.33Å; L189-Y223 HydrophobicContact CD2-CD1 3.88Å; L189-Y223 HydrophobicContact CD2-CE1 4.44Å; L189-Y223 HydrophobicContact CD2-CG 4.25Å; L189-Y223 HydrophobicContact CG-CD1 4.08Å; L189-Y223 HydrophobicContact CG-CG 4.33Å; V190-Y223 CarbonylContact O-C 3.48Å; V190-Y223 WeakPolarHBondContact O-CA 3.34Å; Q191-Y223 HydrophobicContact CB-CD1 3.7Å; Q191-Y223 HydrophobicContact CB-CE1 3.75Å; Q191-Y223 HydrophobicContact CG-CD1 3.95Å; Q191-Y223 HydrophobicContact CG-CE1 3.73Å; I214-Y223 HydrophobicContact CB-CE1 4.28Å; I214-Y223 HydrophobicContact CG2-CE1 4.48Å; I214-Y223 PolarHBondContact O-OH 3.48Å; S221-Y223 WeakPolarHBondContact CB-OH 3.32Å; S221-Y223 WeakPolarHBondContact O-CD2 3.28Å; S221-Y223 WeakPolarHBondContact O-CE2 3.18Å; Y223-I242 HydrophobicContact CD2-CG2 4.35Å; Y223-I242 PolarHBondContact N-O 2.73Å; Y223-I242 PolarHBondContact O-N 2.71Å; Y223-I242 VanDerWaalsContact O-O 3.09Å; Y223-Y244 HydrophobicContact CE2-CD1 4.01Å; Y223-Y244 HydrophobicContact CE2-CG 4.41Å
224	R	75.8	Confident	73.1	Confident	61 Å²	61	57.6 Å²	57.6	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130	167.5	62.5	-169.5	-157.5	-132.2	-3	109	V190 D192 D198 E226 T239 Y240	V190-R224 HydrophobicContact CB-CG 3.63Å; V190-R224 HydrophobicContact CG1-CG 4.15Å; V190-R224 HydrophobicContact CG2-CG 4.35Å; V190-R224 PolarHBondContact N-O 3.33Å; V190-R224 PolarHBondContact O-N 2.91Å; D192-R224 IonicContact OD1-CZ 3.76Å; D192-R224 IonicContact OD1-NE 3.2Å; D192-R224 IonicContact OD1-NH1 3.98Å; D192-R224 PolarHBondContact OD1-NH1 3.06Å; D192-R224 IonicContact OD2-NH1 2.96Å; D198-R224 IonicContact OD2-CZ 3.52Å; D198-R224 IonicContact OD2-NH1 2.62Å; D198-R224 PolarHBondContact OD2-NH1 2.77Å; D198-R224 IonicContact OD2-NH2 3.39Å; D198-R224 PolarHBondContact OD2-NH2 3.01Å; R224-E226 HydrophobicContact CG-CG 4.39Å; R224-E226 IonicContact CZ-OE1 2.65Å; R224-E226 IonicContact NE-OE1 3.86Å; R224-E226 PolarHBondContact NE-OE1 2.78Å; R224-E226 IonicContact NH2-OE1 3.22Å; R224-E226 PolarHBondContact NH2-OE1 3.17Å; R224-T239 HydrophobicContact CB-CG2 3.8Å; R224-T239 HydrophobicContact CG-CG2 4.47Å; R224-Y240 CarbonylContact C-O 3.48Å; R224-Y240 VanDerWaalsContact CA-O 3.22Å; R224-Y240 WeakPolarHBondContact CA-O 3.44Å
225	A	74.4	Confident	73.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.3	170.9	0	0	0	0	0	108.4	F162 M179 V187 F188 T239 Y240 I242	F162-A225 HydrophobicContact CD2-CB 4.09Å; F162-A225 HydrophobicContact CE2-CB 3.37Å; F162-A225 HydrophobicContact CZ-CB 3.88Å; M179-A225 HydrophobicContact CE-CB 3.78Å; M179-A225 VanDerWaalsContact CE-O 3.25Å; M179-A225 WeakPolarHBondContact CE-O 3.43Å; V187-A225 HydrophobicContact CG1-CB 3.87Å; F188-A225 CarbonylContact O-C 3.49Å; F188-A225 VanDerWaalsContact O-CA 3.26Å; F188-A225 WeakPolarHBondContact O-CA 3.46Å; A225-T239 CarbonylContact O-C 3.55Å; A225-T239 VanDerWaalsContact O-CA 3.25Å; A225-T239 WeakPolarHBondContact O-CA 3.47Å; A225-Y240 HydrophobicContact CB-CD2 4.5Å; A225-Y240 PolarHBondContact N-O 3.1Å; A225-Y240 PolarHBondContact O-N 3.29Å; A225-I242 HydrophobicContact CB-CD1 3.83Å
226	E	79.2	Confident	74.1	Confident	26 Å²	26	64.5 Å²	64.5	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.2	178.9	-65.5	-178.4	-161.4	0	0	110.9	V187 F188 V190 R224 H228 Q238 T239	V187-E226 CarbonylContact C-O 3.42Å; V187-E226 VanDerWaalsContact CA-O 3.25Å; V187-E226 WeakPolarHBondContact CA-O 3.38Å; F188-E226 HydrophobicContact CB-CB 4.46Å; F188-E226 PolarHBondContact N-O 2.75Å; F188-E226 PolarHBondContact O-N 3.45Å; V190-E226 HydrophobicContact CG2-CG 4.35Å; R224-E226 HydrophobicContact CG-CG 4.39Å; R224-E226 IonicContact CZ-OE1 2.65Å; R224-E226 IonicContact NE-OE1 3.86Å; R224-E226 PolarHBondContact NE-OE1 2.78Å; R224-E226 IonicContact NH2-OE1 3.22Å; R224-E226 PolarHBondContact NH2-OE1 3.17Å; E226-H228 PolarHBondContact O-CD2 3.44Å; E226-H228 VanDerWaalsContact O-CD2 3.31Å; E226-H228 IonicContact OE2-NE2 2.7Å; E226-Q238 WeakPolarHBondContact CA-O 2.85Å; E226-T239 HydrophobicContact CG-CG2 4.32Å
227	G	80.4	Confident	74	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130	174	0	0	0	0	0	111.7	M179 H236 F237 Q238	M179-G227 WeakPolarHBondContact SD-CA 3.37Å; M179-G227 PolarHBondContact SD-N 3.46Å; M179-G227 VanDerWaalsContact SD-N 3.42Å; G227-H236 CarbonylContact O-C 3.51Å; G227-H236 WeakPolarHBondContact O-CA 2.78Å; G227-F237 WeakPolarHBondContact O-CD1 2.89Å; G227-F237 WeakPolarHBondContact O-CE1 3.37Å; G227-F237 PolarHBondContact O-N 3.27Å; G227-Q238 PolarHBondContact N-O 2.74Å
228	H	80	Confident	73.8	Confident	17 Å²	17	64.3 Å²	64.3	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.9	178.7	-70.7	-96.2	0	0	0	112.6	N185 Y186 F188 E226	N185-H228 PolarHBondContact N-O 3.05Å; Y186-H228 HydrophobicContact CD1-CB 4.28Å; Y186-H228 HydrophobicContact CD2-CB 3.92Å; Y186-H228 HydrophobicContact CE1-CB 3.82Å; Y186-H228 HydrophobicContact CE2-CB 3.4Å; Y186-H228 AromaticContact CE2-CD2 3.5Å; Y186-H228 AromaticContact CE2-CG 3.43Å; Y186-H228 VanDerWaalsContact CE2-CG 3.43Å; Y186-H228 HydrophobicContact CG-CB 4.32Å; Y186-H228 AromaticContact CZ-CG 3.63Å; Y186-H228 PolarHBondContact O-N 2.9Å; F188-H228 AromaticContact CD2-CD2 3.64Å; F188-H228 AromaticContact CD2-NE2 3.43Å; F188-H228 WeakPolarHBondContact CD2-NE2 3.36Å; E226-H228 PolarHBondContact O-CD2 3.44Å; E226-H228 VanDerWaalsContact O-CD2 3.31Å; E226-H228 IonicContact OE2-NE2 2.7Å
229	N	80.9	Confident	73.4	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160.9	171.3	63.8	9.1	0	0	0	112.8	D183 N231 F233 S235	D183-N229 HydrophobicContact CB-CB 3.91Å; D183-N229 WeakPolarHBondContact O-CA 3.18Å; D183-N229 WeakPolarHBondContact O-CB 3.46Å; N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact ND2-ND2 3.26Å; N229-N231 VanDerWaalsContact ND2-ND2 3.19Å; N229-N231 PolarHBondContact O-N 2.94Å; N229-F233 PolarHBondContact OD1-O 3.26Å; N229-S235 PolarHBondContact N-O 2.77Å; N229-S235 PolarHBondContact ND2-OG 3.31Å; N229-S235 PolarHBondContact OD1-N 3.47Å; N229-S235 VanDerWaalsContact OD1-N 3.13Å; N229-S235 PolarHBondContact OD1-O 3.43Å
230	G	67.7	Low	72.8	Confident	45 Å²	45	63.1 Å²	63.1	46%	0.464	32%	0.319	S	S	.	.	S	Bend	trans	-82.8	9	174.5	0	0	0	0	0	115.7	D183 N185	D183-G230 PolarHBondContact O-N 3.35Å; N185-G230 VanDerWaalsContact ND2-CA 3.31Å; N185-G230 WeakPolarHBondContact ND2-CA 3.18Å
231	N	68	Low	72.4	Confident	75 Å²	75	65.7 Å²	65.7	40%	0.401	33%	0.33	S	S	.	.	S	Bend	trans	-76.7	158.6	-175.4	-67	-36.4	0	0	0	112.1	N229 F233	N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact ND2-ND2 3.26Å; N229-N231 VanDerWaalsContact ND2-ND2 3.19Å; N229-N231 PolarHBondContact O-N 2.94Å; N231-F233 CarbonylContact O-C 3.34Å; N231-F233 PolarHBondContact O-N 2.8Å; N231-F233 VanDerWaalsContact O-N 3.15Å
232	I	58	Low	72.3	Confident	159 Å²	159	65.2 Å²	65.2	82%	0.815	33%	0.327	S	S	*	.	S	Bend	trans	-54.4	-35.2	179.7	-62.6	172.2	0	0	0	112.1
233	F	62.1	Low	72	Confident	178 Å²	178	59 Å²	59	78%	0.781	30%	0.301	S	S	*	.	S	Bend	trans	-96	98.6	168.8	-60.2	-76.9	0	0	0	108.3	N229 N231 S235	N229-F233 PolarHBondContact OD1-O 3.26Å; N231-F233 CarbonylContact O-C 3.34Å; N231-F233 PolarHBondContact O-N 2.8Å; N231-F233 VanDerWaalsContact O-N 3.15Å; F233-S235 PolarHBondContact O-N 2.71Å
234	F	60.9	Low	71.8	Confident	138 Å²	138	59 Å²	59	61%	0.605	30%	0.302	S	S	*	.			trans	-58	108.3	173.4	-57.2	-75.8	0	0	0	108.9	Y186	Y186-F234 HydrophobicContact CE1-CD1 4.42Å; Y186-F234 HydrophobicContact CE1-CE1 4.5Å
235	S	70.1	Confident	71.6	Confident	57 Å²	57	57.5 Å²	57.5	40%	0.399	30%	0.297	S	S	.	.			trans	-113.5	127.7	169.9	63.9	0	0	0	0	108.3	N229 F233	N229-S235 PolarHBondContact N-O 2.77Å; N229-S235 PolarHBondContact ND2-OG 3.31Å; N229-S235 PolarHBondContact OD1-N 3.47Å; N229-S235 VanDerWaalsContact OD1-N 3.13Å; N229-S235 PolarHBondContact OD1-O 3.43Å; F233-S235 PolarHBondContact O-N 2.71Å
236	H	76.5	Confident	71.6	Confident	118 Å²	118	58 Å²	58	55%	0.546	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.4	163.3	64.6	-102.5	0	0	0	108	G227	G227-H236 CarbonylContact O-C 3.51Å; G227-H236 WeakPolarHBondContact O-CA 2.78Å
237	F	74.1	Confident	71.4	Confident	50 Å²	50	56.9 Å²	56.9	22%	0.219	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-16.6	-178.5	65.8	-100.5	0	0	0	112.5	M179 H181 F184 G227	M179-F237 HydrophobicContact CB-CE2 3.82Å; M179-F237 HydrophobicContact CB-CZ 3.81Å; M179-F237 HydrophobicContact SD-CE2 4.24Å; M179-F237 HydrophobicContact SD-CZ 4.16Å; H181-F237 HydrophobicContact CB-CD1 4.23Å; H181-F237 HydrophobicContact CB-CD2 3.6Å; H181-F237 HydrophobicContact CB-CE1 3.91Å; H181-F237 HydrophobicContact CB-CE2 3.29Å; H181-F237 HydrophobicContact CB-CG 4.1Å; H181-F237 HydrophobicContact CB-CZ 3.45Å; H181-F237 VanDerWaalsContact CB-CZ 3.45Å; H181-F237 AromaticContact CD2-CD2 3.44Å; H181-F237 VanDerWaalsContact CD2-CD2 3.44Å; H181-F237 WeakPolarHBondContact CD2-CD2 3Å; H181-F237 AromaticContact CD2-CG 3.44Å; H181-F237 VanDerWaalsContact CD2-CG 3.44Å; H181-F237 WeakPolarHBondContact CD2-CG 3.43Å; H181-F237 AromaticContact CG-CD1 3.81Å; H181-F237 AromaticContact CG-CD2 3.57Å; H181-F237 AromaticContact CG-CE1 3.96Å; H181-F237 AromaticContact CG-CE2 3.79Å; H181-F237 AromaticContact CG-CG 3.62Å; H181-F237 AromaticContact CG-CZ 3.97Å; H181-F237 AromaticContact ND1-CD1 3.91Å; H181-F237 AromaticContact NE2-CG 3.89Å; F184-F237 HydrophobicContact CB-CZ 4.48Å; F184-F237 AromaticContact CD2-CE1 4Å; F184-F237 HydrophobicContact CD2-CE1 4Å; F184-F237 AromaticContact CD2-CZ 3.75Å; F184-F237 HydrophobicContact CD2-CZ 3.75Å; G227-F237 WeakPolarHBondContact O-CD1 2.89Å; G227-F237 WeakPolarHBondContact O-CE1 3.37Å; G227-F237 PolarHBondContact O-N 3.27Å
238	Q	73.9	Confident	71.3	Confident	60 Å²	60	57 Å²	57	28%	0.28	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	145.1	-178.2	-171.2	157.3	33.4	0	0	110.6	M179 E226 G227 Y240	M179-Q238 HydrophobicContact SD-CB 4.17Å; M179-Q238 HydrophobicContact SD-CG 4.47Å; E226-Q238 WeakPolarHBondContact CA-O 2.85Å; G227-Q238 PolarHBondContact N-O 2.74Å; Q238-Y240 VanDerWaalsContact CD-CZ 3.42Å; Q238-Y240 HydrophobicContact CG-CE1 3.87Å; Q238-Y240 HydrophobicContact CG-CE2 4.29Å; Q238-Y240 PolarHBondContact NE2-OH 3.36Å; Q238-Y240 PolarHBondContact OE1-OH 2.79Å
239	T	74.6	Confident	71	Confident	67 Å²	67	56.7 Å²	56.7	41%	0.411	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.2	177	-52.4	0	0	0	0	109.1	R224 A225 E226	R224-T239 HydrophobicContact CB-CG2 3.8Å; R224-T239 HydrophobicContact CG-CG2 4.47Å; A225-T239 CarbonylContact O-C 3.55Å; A225-T239 VanDerWaalsContact O-CA 3.25Å; A225-T239 WeakPolarHBondContact O-CA 3.47Å; E226-T239 HydrophobicContact CG-CG2 4.32Å
240	Y	69.8	Low	70.5	Confident	23 Å²	23	56.2 Å²	56.2	9%	0.09	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.2	169.5	-56.8	-55.6	0	0	0	110.8	I153 T161 M179 R224 A225 Q238	I153-Y240 HydrophobicContact CB-CE1 4.48Å; I153-Y240 HydrophobicContact CD1-CD1 4.3Å; I153-Y240 HydrophobicContact CD1-CE1 3.43Å; I153-Y240 VanDerWaalsContact CD1-CE1 3.43Å; I153-Y240 WeakPolarHBondContact CD1-OH 3.37Å; I153-Y240 HydrophobicContact CG1-CD1 3.81Å; I153-Y240 HydrophobicContact CG1-CE1 3.44Å; I153-Y240 VanDerWaalsContact CG1-CE1 3.44Å; I153-Y240 HydrophobicContact CG2-CE1 4.38Å; T161-Y240 HydrophobicContact CG2-CD2 3.8Å; T161-Y240 HydrophobicContact CG2-CE2 3.57Å; T161-Y240 HydrophobicContact CG2-CG 4.47Å; M179-Y240 HydrophobicContact CE-CD2 3.36Å; M179-Y240 HydrophobicContact CE-CE2 3.54Å; M179-Y240 HydrophobicContact CE-CG 4.41Å; M179-Y240 HydrophobicContact CG-CD2 4.27Å; M179-Y240 HydrophobicContact CG-CE2 3.42Å; M179-Y240 VanDerWaalsContact CG-CE2 3.42Å; M179-Y240 HydrophobicContact SD-CD2 4.48Å; M179-Y240 HydrophobicContact SD-CE2 4.1Å; R224-Y240 CarbonylContact C-O 3.48Å; R224-Y240 VanDerWaalsContact CA-O 3.22Å; R224-Y240 WeakPolarHBondContact CA-O 3.44Å; A225-Y240 HydrophobicContact CB-CD2 4.5Å; A225-Y240 PolarHBondContact N-O 3.1Å; A225-Y240 PolarHBondContact O-N 3.29Å; Q238-Y240 VanDerWaalsContact CD-CZ 3.42Å; Q238-Y240 HydrophobicContact CG-CE1 3.87Å; Q238-Y240 HydrophobicContact CG-CE2 4.29Å; Q238-Y240 PolarHBondContact NE2-OH 3.36Å; Q238-Y240 PolarHBondContact OE1-OH 2.79Å
241	D	70.5	Confident	70.5	Confident	126 Å²	126	56.8 Å²	56.8	67%	0.674	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.7	171.5	-64.6	-40	0	0	0	110.4
242	I	71.4	Confident	70.5	Confident	2 Å²	2	56 Å²	56	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.5	-179.5	-65	167.4	0	0	0	107.4	L148 T150 F162 L189 K222 Y223 A225	L148-I242 HydrophobicContact CB-CG2 3.99Å; L148-I242 HydrophobicContact CD1-CG2 3.69Å; L148-I242 HydrophobicContact CD2-CG2 3.84Å; L148-I242 HydrophobicContact CG-CG2 4.03Å; T150-I242 CarbonylContact O-C 3.49Å; T150-I242 VanDerWaalsContact O-CA 3.31Å; T150-I242 WeakPolarHBondContact O-CA 3.32Å; F162-I242 HydrophobicContact CB-CD1 4.14Å; F162-I242 HydrophobicContact CD2-CD1 3.48Å; F162-I242 VanDerWaalsContact CD2-CD1 3.48Å; F162-I242 HydrophobicContact CE2-CD1 4.16Å; F162-I242 HydrophobicContact CG-CD1 3.87Å; L189-I242 HydrophobicContact CD1-CD1 3.77Å; K222-I242 CarbonylContact C-O 3.09Å; K222-I242 WeakPolarHBondContact CA-O 3.35Å; Y223-I242 HydrophobicContact CD2-CG2 4.35Å; Y223-I242 PolarHBondContact N-O 2.73Å; Y223-I242 PolarHBondContact O-N 2.71Å; Y223-I242 VanDerWaalsContact O-O 3.09Å; A225-I242 HydrophobicContact CB-CD1 3.83Å
243	T	70.1	Confident	70.9	Confident	21 Å²	21	51.4 Å²	51.4	13%	0.129	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.5	167	56	0	0	0	0	109.3	L148 E149 T150 V220 S221 K222	L148-T243 CarbonylContact C-O 3.55Å; L148-T243 WeakPolarHBondContact CA-O 3.31Å; L148-T243 VanDerWaalsContact CB-O 3.26Å; L148-T243 WeakPolarHBondContact CB-O 3.36Å; E149-T243 VanDerWaalsContact CB-OG1 3.3Å; E149-T243 WeakPolarHBondContact CB-OG1 3.42Å; E149-T243 PolarHBondContact N-O 2.93Å; T150-T243 WeakPolarHBondContact CB-OG1 3.33Å; T150-T243 PolarHBondContact N-OG1 2.94Å; T150-T243 PolarHBondContact O-N 2.04Å; T150-T243 PolarHBondContact OG1-OG1 3.4Å; V220-T243 HydrophobicContact CG1-CG2 4.34Å; S221-T243 CarbonylContact O-C 3.59Å; S221-T243 WeakPolarHBondContact O-CA 3.15Å; K222-T243 HydrophobicContact CG-CG2 4.18Å
244	Y	69.3	Low	71	Confident	8 Å²	8	48.7 Å²	48.7	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	134.5	178.6	166.5	-104.6	0	0	0	111.3	L148 V164 E167 M172 S221 Y223 R246	L148-Y244 VanDerWaalsContact CD2-CB 3.43Å; L148-Y244 HydrophobicContact CD2-CD2 3.61Å; L148-Y244 HydrophobicContact CD2-CG 3.64Å; V164-Y244 HydrophobicContact CG2-CE2 4.08Å; E167-Y244 PolarHBondContact OE1-OH 2.97Å; M172-Y244 HydrophobicContact CE-CE1 3.98Å; M172-Y244 HydrophobicContact SD-CE1 3.57Å; M172-Y244 VanDerWaalsContact SD-CE1 3.57Å; M172-Y244 PolarHBondContact SD-OH 2.74Å; M172-Y244 VanDerWaalsContact SD-OH 3.37Å; S221-Y244 PolarHBondContact N-O 3.03Å; S221-Y244 PolarHBondContact O-N 2.8Å; Y223-Y244 HydrophobicContact CE2-CD1 4.01Å; Y223-Y244 HydrophobicContact CE2-CG 4.41Å; Y244-R246 HydrophobicContact CE1-CB 3.75Å; Y244-R246 HydrophobicContact CE1-CG 4.33Å
245	K	71.8	Confident	71.2	Confident	29 Å²	29	46.8 Å²	46.8	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.4	176.8	166	-173.5	-176.8	-166.4	0	108	C218 E219 V220 E275 H324 R327	C218-K245 VanDerWaalsContact O-CE 3.26Å; C218-K245 WeakPolarHBondContact O-CE 3.48Å; E219-K245 WeakPolarHBondContact O-CA 3.04Å; V220-K245 HydrophobicContact CG2-CB 4.08Å; V220-K245 HydrophobicContact CG2-CD 4.27Å; K245-E275 IonicContact NZ-OE1 3.24Å; K245-H324 PolarHBondContact NZ-CE1 3.05Å; K245-H324 PolarHBondContact NZ-NE2 2.87Å; K245-R327 PolarHBondContact O-NH1 2.95Å
246	R	74.6	Confident	70.6	Confident	11 Å²	11	45.1 Å²	45.1	4%	0.042	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-73.8	144.6	-179.4	-173	167.8	64.8	85.2	-13.5	110.9	G215 C218 Y244 E270	G215-R246 PolarHBondContact O-NE 3.02Å; G215-R246 PolarHBondContact O-NH2 3.45Å; C218-R246 PolarHBondContact N-O 3.49Å; Y244-R246 HydrophobicContact CE1-CB 3.75Å; Y244-R246 HydrophobicContact CE1-CG 4.33Å; R246-E270 IonicContact CZ-OE1 3.75Å; R246-E270 VanDerWaalsContact CZ-OE1 3.24Å; R246-E270 IonicContact CZ-OE2 3.82Å; R246-E270 IonicContact NH1-OE1 3.46Å; R246-E270 PolarHBondContact NH1-OE1 2.77Å; R246-E270 IonicContact NH1-OE2 3.14Å; R246-E270 PolarHBondContact NH1-OE2 2.84Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.86Å; R246-E270 IonicContact NH2-OE2 3.49Å
247	V	75.1	Confident	69.9	Low	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-87.2	137.6	174.2	-177.9	0	0	0	0	108.6	R249 N322 H324 R327	V247-R249 PolarHBondContact O-N 3.37Å; V247-N322 HydrophobicContact CG1-CB 3.88Å; V247-H324 HydrophobicContact CG1-CB 4.08Å; V247-H324 HydrophobicContact CG2-CB 3.66Å; V247-R327 HydrophobicContact CG2-CB 3.75Å
248	P	77.9	Confident	69	Low	2 Å²	2	47.6 Å²	47.6	1%	0.013	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-53.9	133.5	176	-23.4	28.5	0	0	0	110.7	P217 C218 R271 S272 C274 N322 S329	P217-P248 HydrophobicContact CB-CB 4.22Å; P217-P248 HydrophobicContact CB-CG 4.06Å; C218-P248 VanDerWaalsContact SG-CD 3.54Å; C218-P248 WeakPolarHBondContact SG-CG 3.16Å; P248-R271 HydrophobicContact CB-CB 4.26Å; P248-R271 WeakPolarHBondContact CB-O 3.49Å; P248-R271 HydrophobicContact CG-CB 4.3Å; P248-S272 VanDerWaalsContact CG-O 3.31Å; P248-S272 WeakPolarHBondContact CG-O 3.09Å; P248-C274 WeakPolarHBondContact CD-SG 3.32Å; P248-N322 PolarHBondContact O-ND2 2.91Å; P248-S329 WeakPolarHBondContact O-CB 3.31Å; P248-S329 PolarHBondContact O-OG 3.31Å
249	R	73.5	Confident	68.1	Low	11 Å²	11	48.2 Å²	48.2	4%	0.042	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-82.1	155.7	-179.4	-61	179.1	-177	152	-13.2	111.6	Q168 T169 V247 R269 E270 T332	Q168-R249 PolarHBondContact O-NH1 2.56Å; Q168-R249 PolarHBondContact O-NH2 3.17Å; T169-R249 PolarHBondContact O-NH1 2.83Å; V247-R249 PolarHBondContact O-N 3.37Å; R249-R269 VanDerWaalsContact O-CA 3.25Å; R249-R269 WeakPolarHBondContact O-CA 3.26Å; R249-E270 HydrophobicContact CB-CB 4.46Å; R249-E270 WeakPolarHBondContact CB-OE2 3.37Å; R249-E270 WeakPolarHBondContact CG-OE2 3.43Å; R249-E270 PolarHBondContact N-OE2 3.18Å; R249-E270 PolarHBondContact O-N 3.21Å; R249-T332 HydrophobicContact CB-CG2 3.8Å; R249-T332 HydrophobicContact CG-CG2 4.21Å
250	I	70.3	Confident	67.1	Low	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.6	170.3	-65.2	-174.4	0	0	0	108.3	V253 W267 K268 T280 L320 N322 P331 T332	I250-V253 HydrophobicContact CG2-CG2 3.57Å; I250-W267 HydrophobicContact CG2-CB 3.69Å; I250-W267 HydrophobicContact CG2-CG 3.97Å; I250-K268 WeakPolarHBondContact CA-O 3.16Å; I250-T280 HydrophobicContact CD1-CG2 3.82Å; I250-L320 HydrophobicContact CD1-CB 3.72Å; I250-N322 VanDerWaalsContact CG1-ND2 3.32Å; I250-N322 WeakPolarHBondContact CG1-ND2 3.33Å; I250-P331 HydrophobicContact CB-CB 4.04Å; I250-P331 HydrophobicContact CG2-CB 4.33Å; I250-P331 CarbonylContact O-C 3.49Å; I250-P331 VanDerWaalsContact O-CA 3.23Å; I250-P331 WeakPolarHBondContact O-CA 3.05Å; I250-T332 PolarHBondContact O-N 3.27Å; I250-T332 PolarHBondContact O-OG1 3.06Å; I250-T332 VanDerWaalsContact O-OG1 3.06Å
251	E	67.5	Low	66.3	Low	56 Å²	56	53.2 Å²	53.2	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.9	-179.7	-83.3	174	-162	0	0	110.8	V253 K268 T332	E251-V253 VanDerWaalsContact C-N 3.29Å; E251-V253 PolarHBondContact O-N 3.35Å; E251-V253 VanDerWaalsContact O-N 3.14Å; E251-K268 HydrophobicContact CB-CB 4.02Å; E251-K268 PolarHBondContact N-O 3.36Å; E251-K268 PolarHBondContact O-N 2.84Å; E251-T332 WeakPolarHBondContact CG-OG1 3.39Å
252	N	68.4	Low	65.8	Low	59 Å²	59	52.3 Å²	52.3	32%	0.316	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.3	49.4	164.9	-65.5	-55.1	0	0	0	113.1	Q254 K268	N252-Q254 PolarHBondContact O-N 2.86Å; N252-K268 HydrophobicContact CB-CB 4.35Å; N252-K268 HydrophobicContact CB-CD 4.2Å; N252-K268 HydrophobicContact CB-CG 4.21Å
253	V	65.8	Low	65.5	Low	62 Å²	62	55.6 Å²	55.6	38%	0.376	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	121.2	175.3	-176.6	0	0	0	0	108.3	I250 E251 L265 M266 W267 L320	I250-V253 HydrophobicContact CG2-CG2 3.57Å; E251-V253 VanDerWaalsContact C-N 3.29Å; E251-V253 PolarHBondContact O-N 3.35Å; E251-V253 VanDerWaalsContact O-N 3.14Å; V253-L265 HydrophobicContact CG1-CD1 3.64Å; V253-L265 HydrophobicContact CG1-CG 4.44Å; V253-M266 CarbonylContact C-O 3.51Å; V253-M266 WeakPolarHBondContact CA-O 3.29Å; V253-W267 HydrophobicContact CG2-CB 4.2Å; V253-L320 HydrophobicContact CG1-CD1 4.1Å; V253-L320 HydrophobicContact CG1-CD2 4.13Å; V253-L320 HydrophobicContact CG2-CD2 4.3Å
254	Q	65.6	Low	65.5	Low	121 Å²	121	55.7 Å²	55.7	57%	0.565	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.6	-178.1	-70.2	-179.2	-4.6	0	0	109.8	N252 L265 M266	N252-Q254 PolarHBondContact O-N 2.86Å; Q254-L265 WeakPolarHBondContact O-CA 3.11Å; Q254-M266 PolarHBondContact N-O 2.97Å; Q254-M266 PolarHBondContact O-N 2.96Å
255	I	64.3	Low	65.7	Low	99 Å²	99	55.3 Å²	55.3	51%	0.508	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.7	170.6	-59.6	169.6	0	0	0	106.5	L265 F318	I255-L265 HydrophobicContact CG1-CD1 3.69Å; I255-F318 HydrophobicContact CD1-CD2 4Å; I255-F318 HydrophobicContact CD1-CE2 4.11Å
256	G	58.7	Low	66	Low	21 Å²	21	57.1 Å²	57.1	22%	0.216	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.8	-178.8	0	0	0	0	0	112.7	R263 H264	G256-R263 WeakPolarHBondContact O-CA 3.38Å; G256-H264 PolarHBondContact N-O 2.73Å; G256-H264 PolarHBondContact O-N 2.75Å; G256-H264 PolarHBondContact O-ND1 3.18Å
257	L	60.7	Low	66.2	Low	127 Å²	127	56.9 Å²	56.9	67%	0.665	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.7	167.9	-71.1	159.9	0	0	0	108.3	R263	L257-R263 HydrophobicContact CD2-CG 3.74Å
258	L	55.1	Low	66.5	Low	94 Å²	94	62.8 Å²	62.8	49%	0.492	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-49	175.8	-86.1	153.5	0	0	0	111.2	Y262 H264 Y304	L258-Y262 PolarHBondContact N-O 3.42Å; L258-H264 HydrophobicContact CD1-CB 3.72Å; L258-H264 WeakPolarHBondContact CD1-ND1 3.48Å; L258-H264 VanDerWaalsContact CG-CE1 3.5Å; L258-H264 WeakPolarHBondContact CG-CE1 3.2Å; L258-H264 WeakPolarHBondContact CG-ND1 3.37Å; L258-Y304 HydrophobicContact CD1-CD1 4.12Å; L258-Y304 HydrophobicContact CD1-CE1 3.61Å
259	S	55.3	Low	66.5	Low	73 Å²	73	64.9 Å²	64.9	51%	0.51	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	132	177.4	53.5	0	0	0	0	107.6	Y262	S259-Y262 PolarHBondContact O-N 3.06Å
260	S	52.9	Low	66.7	Low	120 Å²	120	67.5 Å²	67.5	84%	0.839	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	127.8	179.3	-175.8	0	0	0	0	111.3
261	P	54.3	Low	67.3	Low	74 Å²	74	71.8 Å²	71.8	48%	0.481	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	cis	-101.3	11.2	7.7	38.6	-34.3	0	0	0	115.2	R263	P261-R263 PolarHBondContact O-N 2.97Å
262	Y	59.3	Low	68.2	Low	108 Å²	108	73 Å²	73	42%	0.424	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.1	-174.2	-59	-69.8	0	0	0	112.1	L258 S259 K306	L258-Y262 PolarHBondContact N-O 3.42Å; S259-Y262 PolarHBondContact O-N 3.06Å; Y262-K306 HydrophobicContact CD1-CG 4.39Å; Y262-K306 HydrophobicContact CE1-CG 4.08Å
263	R	64.6	Low	69	Low	70 Å²	70	71.6 Å²	71.6	26%	0.264	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	152.9	161.2	-67.7	-172.7	-176	-153	-2.4	109.2	G256 L257 P261 V305 F308	G256-R263 WeakPolarHBondContact O-CA 3.38Å; L257-R263 HydrophobicContact CD2-CG 3.74Å; P261-R263 PolarHBondContact O-N 2.97Å; R263-V305 HydrophobicContact CB-CB 4.25Å; R263-V305 HydrophobicContact CB-CG1 4.48Å; R263-V305 PolarHBondContact O-N 2.76Å; R263-F308 HydrophobicContact CG-CG 4.47Å; R263-F308 VanDerWaalsContact NH2-CZ 3.33Å
264	H	69.8	Low	69.8	Low	23 Å²	23	70 Å²	70	11%	0.106	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141	169.5	66.1	-48.4	0	0	0	108.9	G256 L258 M266 H303 Y304	G256-H264 PolarHBondContact N-O 2.73Å; G256-H264 PolarHBondContact O-N 2.75Å; G256-H264 PolarHBondContact O-ND1 3.18Å; L258-H264 HydrophobicContact CD1-CB 3.72Å; L258-H264 WeakPolarHBondContact CD1-ND1 3.48Å; L258-H264 VanDerWaalsContact CG-CE1 3.5Å; L258-H264 WeakPolarHBondContact CG-CE1 3.2Å; L258-H264 WeakPolarHBondContact CG-ND1 3.37Å; H264-M266 WeakPolarHBondContact CD2-CG 3.38Å; H264-M266 VanDerWaalsContact CD2-SD 3.51Å; H264-M266 PolarHBondContact NE2-SD 3.12Å; H264-H303 WeakPolarHBondContact CA-O 3.38Å; H264-Y304 HydrophobicContact CB-CD1 4.15Å; H264-Y304 HydrophobicContact CB-CE1 4.37Å
265	L	74.4	Confident	70.8	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.4	171.1	-176.3	73.1	0	0	0	107	V253 Q254 I255 W267 I282 E302 H303 F318 L320	V253-L265 HydrophobicContact CG1-CD1 3.64Å; V253-L265 HydrophobicContact CG1-CG 4.44Å; Q254-L265 WeakPolarHBondContact O-CA 3.11Å; I255-L265 HydrophobicContact CG1-CD1 3.69Å; L265-W267 HydrophobicContact CD2-CE3 4.49Å; L265-W267 HydrophobicContact CD2-CZ3 4.44Å; L265-W267 HydrophobicContact CG-CE3 4.34Å; L265-I282 HydrophobicContact CD2-CD1 3.69Å; L265-I282 HydrophobicContact CD2-CG2 4.37Å; L265-E302 CarbonylContact O-C 3.17Å; L265-E302 VanDerWaalsContact O-CA 3.22Å; L265-E302 WeakPolarHBondContact O-CA 3.16Å; L265-H303 HydrophobicContact CB-CB 4.44Å; L265-H303 PolarHBondContact N-O 3.43Å; L265-H303 PolarHBondContact O-N 2.85Å; L265-F318 HydrophobicContact CD1-CD1 4.46Å; L265-F318 HydrophobicContact CD1-CG 4.46Å; L265-F318 HydrophobicContact CD2-CD1 3.83Å; L265-F318 HydrophobicContact CD2-CE1 4.38Å; L265-F318 HydrophobicContact CD2-CG 4.44Å; L265-L320 HydrophobicContact CD2-CD1 4.01Å; L265-L320 HydrophobicContact CD2-CD2 3.54Å; L265-L320 HydrophobicContact CD2-CG 3.95Å; L265-L320 HydrophobicContact CG-CD2 4.15Å
266	M	78.1	Confident	71.9	Confident	66 Å²	66	69.6 Å²	69.6	33%	0.325	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.5	173.8	-63.9	-173.6	75.3	0	0	109.6	V253 Q254 H264 V301 E302	V253-M266 CarbonylContact C-O 3.51Å; V253-M266 WeakPolarHBondContact CA-O 3.29Å; Q254-M266 PolarHBondContact N-O 2.97Å; Q254-M266 PolarHBondContact O-N 2.96Å; H264-M266 WeakPolarHBondContact CD2-CG 3.38Å; H264-M266 VanDerWaalsContact CD2-SD 3.51Å; H264-M266 PolarHBondContact NE2-SD 3.12Å; M266-V301 WeakPolarHBondContact CA-O 3.43Å; M266-E302 HydrophobicContact CG-CB 4.2Å
267	W	78	Confident	73.1	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.027	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160	171.1	60.9	100.3	0	0	0	110.4	I250 V253 L265 T280 I282 I296 K300 V301 H303 L320	I250-W267 HydrophobicContact CG2-CB 3.69Å; I250-W267 HydrophobicContact CG2-CG 3.97Å; V253-W267 HydrophobicContact CG2-CB 4.2Å; L265-W267 HydrophobicContact CD2-CE3 4.49Å; L265-W267 HydrophobicContact CD2-CZ3 4.44Å; L265-W267 HydrophobicContact CG-CE3 4.34Å; W267-T280 HydrophobicContact CH2-CG2 4.44Å; W267-T280 HydrophobicContact CZ2-CG2 3.74Å; W267-I282 HydrophobicContact CH2-CD1 4.05Å; W267-I282 HydrophobicContact CZ3-CD1 3.94Å; W267-I296 HydrophobicContact CH2-CD1 3.87Å; W267-I296 HydrophobicContact CH2-CG2 4.33Å; W267-K300 WeakPolarHBondContact CZ2-O 3.09Å; W267-V301 PolarHBondContact N-O 2.88Å; W267-V301 WeakPolarHBondContact O-CB 3.35Å; W267-H303 HydrophobicContact CH2-CB 4.27Å; W267-H303 HydrophobicContact CZ3-CB 3.98Å; W267-L320 HydrophobicContact CB-CD2 4.47Å; W267-L320 HydrophobicContact CD2-CD2 4.11Å; W267-L320 HydrophobicContact CE3-CD2 3.9Å; W267-L320 HydrophobicContact CG-CD2 4.38Å
268	K	81.9	Confident	74.1	Confident	125 Å²	125	68.1 Å²	68.1	54%	0.543	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	166	165.4	-65.3	-173.1	-175.5	175.8	0	109.3	I250 E251 N252	I250-K268 WeakPolarHBondContact CA-O 3.16Å; E251-K268 HydrophobicContact CB-CB 4.02Å; E251-K268 PolarHBondContact N-O 3.36Å; E251-K268 PolarHBondContact O-N 2.84Å; N252-K268 HydrophobicContact CB-CB 4.35Å; N252-K268 HydrophobicContact CB-CD 4.2Å; N252-K268 HydrophobicContact CB-CG 4.21Å
269	R	78.3	Confident	75.4	Confident	45 Å²	45	64.3 Å²	64.3	17%	0.17	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.5	167.7	-70.6	176.3	-107.3	137.6	-10.6	108.7	R249 R271 S298 K300	R249-R269 VanDerWaalsContact O-CA 3.25Å; R249-R269 WeakPolarHBondContact O-CA 3.26Å; R269-R271 WeakPolarHBondContact CB-O 3.47Å; R269-R271 PolarHBondContact O-N 3.35Å; R269-S298 PolarHBondContact NH1-O 3.21Å; R269-S298 PolarHBondContact NH2-O 3.48Å; R269-K300 PolarHBondContact NH2-O 3.26Å
270	E	76.6	Confident	76.5	Confident	67 Å²	67	60.8 Å²	60.8	31%	0.313	33%	0.327	S	S	.	.	S	Bend	trans	-55.7	-35.4	174.2	-174.5	-176.1	-177.4	0	0	111.8	P217 R246 R249	P217-E270 HydrophobicContact CG-CG 4.25Å; R246-E270 IonicContact CZ-OE1 3.75Å; R246-E270 VanDerWaalsContact CZ-OE1 3.24Å; R246-E270 IonicContact CZ-OE2 3.82Å; R246-E270 IonicContact NH1-OE1 3.46Å; R246-E270 PolarHBondContact NH1-OE1 2.77Å; R246-E270 IonicContact NH1-OE2 3.14Å; R246-E270 PolarHBondContact NH1-OE2 2.84Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.86Å; R246-E270 IonicContact NH2-OE2 3.49Å; R249-E270 HydrophobicContact CB-CB 4.46Å; R249-E270 WeakPolarHBondContact CB-OE2 3.37Å; R249-E270 WeakPolarHBondContact CG-OE2 3.43Å; R249-E270 PolarHBondContact N-OE2 3.18Å; R249-E270 PolarHBondContact O-N 3.21Å
271	R	83.8	Confident	77.3	Confident	89 Å²	89	55.5 Å²	55.5	34%	0.336	29%	0.289	S	S	.	.	S	Bend	trans	-146.5	164.4	172.7	-167.6	174.3	-167.7	170	10	110.9	P217 E219 P248 R269	P217-R271 HydrophobicContact CB-CB 4.41Å; P217-R271 HydrophobicContact CG-CB 3.6Å; P217-R271 HydrophobicContact CG-CG 4.37Å; P217-R271 VanDerWaalsContact O-CD 3.32Å; P217-R271 WeakPolarHBondContact O-CD 3.19Å; P217-R271 PolarHBondContact O-NH1 2.66Å; E219-R271 IonicContact OE1-CZ 2.65Å; E219-R271 IonicContact OE1-NH1 2.71Å; E219-R271 PolarHBondContact OE1-NH1 2.88Å; E219-R271 IonicContact OE1-NH2 2.9Å; E219-R271 PolarHBondContact OE1-NH2 2.87Å; P248-R271 HydrophobicContact CB-CB 4.26Å; P248-R271 WeakPolarHBondContact CB-O 3.49Å; P248-R271 HydrophobicContact CG-CB 4.3Å; R269-R271 WeakPolarHBondContact CB-O 3.47Å; R269-R271 PolarHBondContact O-N 3.35Å
272	S	85.7	Confident	77.8	Confident	82 Å²	82	52 Å²	52	57%	0.573	27%	0.266	S	S	*	.			trans	-53.6	159.9	164.9	57.7	0	0	0	0	111.6	P248	P248-S272 VanDerWaalsContact CG-O 3.31Å; P248-S272 WeakPolarHBondContact CG-O 3.09Å
273	A	86.3	Confident	77.9	Confident	30 Å²	30	49.5 Å²	49.5	25%	0.248	26%	0.258	C	S	.	.			trans	-50.1	147.4	172.3	0	0	0	0	0	111.9	D278 S298	A273-D278 HydrophobicContact CB-CB 4.09Å; A273-S298 WeakPolarHBondContact CB-OG 3.37Å
274	C	83.1	Confident	77.9	Confident	28 Å²	28	47.6 Å²	47.6	19%	0.189	25%	0.251	C	S	.	.	S	Bend	trans	-75.2	-37.4	177.3	-55.8	0	0	0	0	111.2	C218 P248 D278	C218-C274 WeakPolarHBondContact CA-SG 3.3Å; C218-C274 HydrophobicContact CB-CB 3.64Å; C218-C274 WeakPolarHBondContact CB-SG 3.42Å; C218-C274 WeakPolarHBondContact SG-CA 3.31Å; C218-C274 WeakPolarHBondContact SG-CB 3.21Å; C218-C274 PolarHBondContact SG-N 2.83Å; C218-C274 VanDerWaalsContact SG-N 3.36Å; C218-C274 CovalentContact SG-SG 2.04Å; C218-C274 PolarHBondContact SG-SG 2.76Å; P248-C274 WeakPolarHBondContact CD-SG 3.32Å; C274-D278 WeakPolarHBondContact CA-OD2 3.26Å; C274-D278 WeakPolarHBondContact CB-OD2 3.31Å; C274-D278 PolarHBondContact N-OD2 2.8Å
275	E	86.5	Confident	77.3	Confident	86 Å²	86	47 Å²	47	40%	0.402	25%	0.251	S	S	.	.	S	Bend	trans	-136.6	154.2	177.4	-71.7	176.3	-158.3	0	0	111	K245 T277 D278 H324	K245-E275 IonicContact NZ-OE1 3.24Å; E275-T277 WeakPolarHBondContact CB-OG1 3.42Å; E275-T277 PolarHBondContact O-N 2.84Å; E275-T277 VanDerWaalsContact O-N 3.12Å; E275-T277 PolarHBondContact OE2-OG1 2.9Å; E275-D278 PolarHBondContact N-OD2 2.84Å; E275-D278 VanDerWaalsContact O-CB 3.29Å; E275-D278 WeakPolarHBondContact O-CB 3.34Å; E275-D278 VanDerWaalsContact O-CG 3.29Å; E275-D278 PolarHBondContact O-N 2.87Å; E275-H324 IonicContact OE1-CE1 3.22Å; E275-H324 PolarHBondContact OE1-CE1 3.08Å
276	P	86.3	Confident	76.4	Confident	125 Å²	125	48.7 Å²	48.7	81%	0.812	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.7	175.1	-22.8	33.8	0	0	0	114.1	D278	P276-D278 VanDerWaalsContact C-N 3.32Å
277	T	84.3	Confident	75.1	Confident	109 Å²	109	47 Å²	47	67%	0.669	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.2	177.9	48.2	0	0	0	0	113.2	E275	E275-T277 WeakPolarHBondContact CB-OG1 3.42Å; E275-T277 PolarHBondContact O-N 2.84Å; E275-T277 VanDerWaalsContact O-N 3.12Å; E275-T277 PolarHBondContact OE2-OG1 2.9Å
278	D	82.7	Confident	73.7	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.048	27%	0.266	C	S	.	.			trans	-63.9	155.2	176.7	-66.3	-13.1	0	0	0	110.4	A273 C274 E275 P276 S298 K323 H324	A273-D278 HydrophobicContact CB-CB 4.09Å; C274-D278 WeakPolarHBondContact CA-OD2 3.26Å; C274-D278 WeakPolarHBondContact CB-OD2 3.31Å; C274-D278 PolarHBondContact N-OD2 2.8Å; E275-D278 PolarHBondContact N-OD2 2.84Å; E275-D278 VanDerWaalsContact O-CB 3.29Å; E275-D278 WeakPolarHBondContact O-CB 3.34Å; E275-D278 VanDerWaalsContact O-CG 3.29Å; E275-D278 PolarHBondContact O-N 2.87Å; P276-D278 VanDerWaalsContact C-N 3.32Å; D278-S298 VanDerWaalsContact C-CB 3.47Å; D278-S298 WeakPolarHBondContact O-CB 3.43Å; D278-S298 PolarHBondContact O-N 3.04Å; D278-S298 PolarHBondContact O-OG 3.49Å; D278-K323 WeakPolarHBondContact CA-O 3.42Å; D278-H324 WeakPolarHBondContact OD1-CA 3.01Å; D278-H324 IonicContact OD1-CE1 3.31Å; D278-H324 IonicContact OD1-CG 2.72Å; D278-H324 IonicContact OD1-ND1 3.01Å; D278-H324 PolarHBondContact OD1-ND1 3.38Å; D278-H324 IonicContact OD2-ND1 3.35Å; D278-H324 PolarHBondContact OD2-ND1 2.88Å
279	S	80.6	Confident	72	Confident	13 Å²	13	48.3 Å²	48.3	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.1	179.7	47.6	0	0	0	0	111.3	I296 N322 K323	S279-I296 CarbonylContact C-O 3.53Å; S279-I296 WeakPolarHBondContact CA-O 3.37Å; S279-I296 WeakPolarHBondContact CB-O 3.04Å; S279-N322 CarbonylContact O-C 3.55Å; S279-N322 WeakPolarHBondContact O-CA 3.35Å; S279-K323 PolarHBondContact N-O 2.81Å; S279-K323 PolarHBondContact O-N 3.36Å
280	T	78.5	Confident	70.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	163.2	-60.3	0	0	0	0	107.8	I250 W267 I282 I296 F321 N322	I250-T280 HydrophobicContact CD1-CG2 3.82Å; W267-T280 HydrophobicContact CH2-CG2 4.44Å; W267-T280 HydrophobicContact CZ2-CG2 3.74Å; T280-I282 HydrophobicContact CG2-CG1 4.22Å; T280-I296 PolarHBondContact N-O 3.48Å; T280-I296 PolarHBondContact O-N 3.42Å; T280-F321 WeakPolarHBondContact CA-O 3.35Å; T280-N322 PolarHBondContact OG1-OD1 2.86Å
281	I	69.4	Low	69.2	Low	8 Å²	8	51.5 Å²	51.5	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.9	172.8	-52.9	-57.5	0	0	0	107.8	F283 M293 F294 T295 L320 F321 K323	I281-F283 HydrophobicContact CG2-CD2 4.42Å; I281-F283 HydrophobicContact CG2-CE2 4.18Å; I281-M293 HydrophobicContact CG2-CG 3.75Å; I281-M293 HydrophobicContact CG2-SD 4.24Å; I281-F294 WeakPolarHBondContact CA-O 3.46Å; I281-T295 HydrophobicContact CD1-CG2 3.9Å; I281-L320 WeakPolarHBondContact O-CA 3.48Å; I281-F321 HydrophobicContact CB-CD2 3.88Å; I281-F321 HydrophobicContact CB-CE1 4.12Å; I281-F321 HydrophobicContact CB-CE2 3.44Å; I281-F321 VanDerWaalsContact CB-CE2 3.44Å; I281-F321 HydrophobicContact CB-CG 4.41Å; I281-F321 HydrophobicContact CB-CZ 3.57Å; I281-F321 HydrophobicContact CG1-CD2 4.1Å; I281-F321 HydrophobicContact CG1-CE2 3.57Å; I281-F321 HydrophobicContact CG1-CZ 4.11Å; I281-F321 HydrophobicContact CG2-CE1 4.05Å; I281-F321 HydrophobicContact CG2-CE2 3.9Å; I281-F321 HydrophobicContact CG2-CZ 3.5Å; I281-F321 PolarHBondContact N-O 3.42Å; I281-F321 PolarHBondContact O-N 2.87Å; I281-F321 VanDerWaalsContact O-N 3.09Å; I281-K323 HydrophobicContact CD1-CD 4.33Å; I281-K323 HydrophobicContact CG1-CB 4.04Å; I281-K323 HydrophobicContact CG1-CD 4.42Å
282	I	66.1	Low	67.9	Low	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.7	171.5	-54.3	-171.6	0	0	0	107.8	L265 W267 T280 R284 M293 F294 I296 H303 F318 I319 L320	L265-I282 HydrophobicContact CD2-CD1 3.69Å; L265-I282 HydrophobicContact CD2-CG2 4.37Å; W267-I282 HydrophobicContact CH2-CD1 4.05Å; W267-I282 HydrophobicContact CZ3-CD1 3.94Å; T280-I282 HydrophobicContact CG2-CG1 4.22Å; I282-R284 HydrophobicContact CG2-CB 4.09Å; I282-M293 CarbonylContact O-C 3.34Å; I282-M293 WeakPolarHBondContact O-CA 3Å; I282-F294 HydrophobicContact CB-CB 4.31Å; I282-F294 PolarHBondContact N-O 3.25Å; I282-F294 PolarHBondContact O-N 2.77Å; I282-I296 HydrophobicContact CD1-CD1 3.29Å; I282-I296 HydrophobicContact CD1-CG1 4.41Å; I282-I296 HydrophobicContact CG1-CD1 3.85Å; I282-H303 HydrophobicContact CD1-CB 3.79Å; I282-F318 HydrophobicContact CG2-CD1 4.27Å; I282-I319 CarbonylContact C-O 3.48Å; I282-I319 WeakPolarHBondContact CA-O 3.05Å; I282-L320 HydrophobicContact CD1-CD2 4.46Å; I282-L320 HydrophobicContact CG1-CG 4.22Å
283	F	61.9	Low	67.1	Low	57 Å²	57	54.6 Å²	54.6	25%	0.25	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.1	157.3	-66.5	-80.7	0	0	0	108.5	I281 L291 Q292 M293 F318 I319 F321	I281-F283 HydrophobicContact CG2-CD2 4.42Å; I281-F283 HydrophobicContact CG2-CE2 4.18Å; F283-L291 HydrophobicContact CB-CB 3.96Å; F283-L291 HydrophobicContact CB-CD1 3.83Å; F283-L291 HydrophobicContact CD1-CB 4.37Å; F283-Q292 WeakPolarHBondContact CA-O 3.14Å; F283-M293 HydrophobicContact CD1-CB 3.98Å; F283-M293 HydrophobicContact CD1-CG 4.35Å; F283-M293 HydrophobicContact CE1-CB 3.82Å; F283-M293 HydrophobicContact CE1-CE 3.41Å; F283-M293 VanDerWaalsContact CE1-CE 3.41Å; F283-M293 HydrophobicContact CE1-CG 4Å; F283-M293 HydrophobicContact CE2-CE 4.41Å; F283-M293 HydrophobicContact CZ-CE 3.33Å; F283-M293 HydrophobicContact CZ-CG 4.41Å; F283-F318 WeakPolarHBondContact O-CA 3.49Å; F283-I319 HydrophobicContact CB-CB 4.15Å; F283-I319 HydrophobicContact CD2-CB 4.39Å; F283-I319 PolarHBondContact N-O 2.92Å; F283-I319 PolarHBondContact O-N 3.31Å; F283-F321 AromaticContact CD2-CE1 3.74Å; F283-F321 HydrophobicContact CD2-CE1 3.74Å; F283-F321 HydrophobicContact CD2-CZ 4.27Å; F283-F321 AromaticContact CE2-CE1 3.49Å; F283-F321 HydrophobicContact CE2-CE1 3.49Å; F283-F321 VanDerWaalsContact CE2-CE1 3.49Å; F283-F321 AromaticContact CE2-CZ 3.61Å; F283-F321 HydrophobicContact CE2-CZ 3.61Å
284	R	63.2	Low	66.2	Low	30 Å²	30	55.7 Å²	55.7	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.1	179.9	166.7	-167.5	178.9	-132.1	-17.4	109.8	I282 L291 Q292 F294 K306 E316 V317 F318	I282-R284 HydrophobicContact CG2-CB 4.09Å; R284-L291 CarbonylContact O-C 3.58Å; R284-L291 WeakPolarHBondContact O-CA 3.46Å; R284-Q292 PolarHBondContact N-O 2.72Å; R284-Q292 PolarHBondContact O-N 2.7Å; R284-F294 HydrophobicContact CB-CD2 4.02Å; R284-F294 HydrophobicContact CB-CE2 3.77Å; R284-F294 HydrophobicContact CG-CE2 4.29Å; R284-K306 PolarHBondContact NH2-O 2.78Å; R284-E316 IonicContact CZ-OE1 2.85Å; R284-E316 IonicContact NE-OE1 3.92Å; R284-E316 PolarHBondContact NE-OE1 3.12Å; R284-E316 IonicContact NH2-OE1 2.59Å; R284-E316 PolarHBondContact NH2-OE1 3.13Å; R284-V317 WeakPolarHBondContact CA-O 3.09Å; R284-F318 HydrophobicContact CB-CD1 4.06Å; R284-F318 HydrophobicContact CB-CE1 4.08Å; R284-F318 HydrophobicContact CG-CD1 4.11Å; R284-F318 HydrophobicContact CG-CE1 3.65Å; R284-F318 HydrophobicContact CG-CZ 4.26Å
285	G	57.4	Low	66	Low	11 Å²	11	59 Å²	59	11%	0.113	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-169.5	172.3	0	0	0	0	0	109.5	E316 V317	G285-E316 CarbonylContact O-C 3.44Å; G285-E316 WeakPolarHBondContact O-CA 3.46Å; G285-E316 WeakPolarHBondContact O-CG 3.2Å; G285-V317 PolarHBondContact N-O 3.15Å; G285-V317 PolarHBondContact O-N 2.96Å
286	Y	56.9	Low	65.8	Low	35 Å²	35	55.5 Å²	55.5	14%	0.137	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	148	176.8	-58.6	-70.3	0	0	0	110.2	T288 Q289 Q309 I314 E315 E316	Y286-T288 PolarHBondContact O-N 3.09Å; Y286-Q289 PolarHBondContact O-N 3.47Å; Y286-Q289 VanDerWaalsContact O-O 3.05Å; Y286-Q309 WeakPolarHBondContact CE1-O 2.92Å; Y286-Q309 PolarHBondContact OH-N 2.76Å; Y286-Q309 PolarHBondContact OH-O 2.89Å; Y286-I314 HydrophobicContact CD1-CG2 3.3Å; Y286-I314 HydrophobicContact CE1-CG2 4.09Å; Y286-I314 HydrophobicContact CG-CG2 3.54Å; Y286-E315 CarbonylContact C-O 3.55Å; Y286-E315 WeakPolarHBondContact CA-O 3.2Å; Y286-E316 HydrophobicContact CD1-CB 4.21Å; Y286-E316 HydrophobicContact CD1-CG 4.48Å; Y286-E316 HydrophobicContact CE1-CB 4.31Å; Y286-E316 HydrophobicContact CE1-CG 4.48Å
287	S	50.1	Low	65.8	Low	31 Å²	31	52.3 Å²	52.3	22%	0.217	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.9	-177.9	59.9	0	0	0	0	114.4	E315	S287-E315 PolarHBondContact N-O 2.95Å
288	T	47.3	Very low	65.8	Low	53 Å²	53	47.6 Å²	47.6	33%	0.325	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2	177.8	56.6	0	0	0	0	113.9	Y286	Y286-T288 PolarHBondContact O-N 3.09Å
289	Q	47.1	Very low	65.9	Low	107 Å²	107	52.8 Å²	52.8	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-123.7	166.3	-174.5	-60.8	-176.6	18.7	0	0	110.9	Y286 L291	Y286-Q289 PolarHBondContact O-N 3.47Å; Y286-Q289 VanDerWaalsContact O-O 3.05Å; Q289-L291 PolarHBondContact O-N 2.84Å
290	Q	43.8	Very low	66.3	Low	123 Å²	123	57.7 Å²	57.7	58%	0.575	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-61.1	130.9	171.3	-71.5	176.3	-12.8	0	0	109.9	Q292 F390	Q290-Q292 PolarHBondContact O-N 3.14Å; Q290-F390 VanDerWaalsContact CD-CE1 3.46Å; Q290-F390 HydrophobicContact CG-CD1 3.87Å; Q290-F390 HydrophobicContact CG-CE1 3.44Å; Q290-F390 VanDerWaalsContact CG-CE1 3.44Å; Q290-F390 HydrophobicContact CG-CZ 4.48Å
291	L	52	Low	66.8	Low	56 Å²	56	60.4 Å²	60.4	29%	0.293	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-74	126.7	168.7	-52.1	-176.2	0	0	0	108.6	F283 R284 Q289 V317 I319	F283-L291 HydrophobicContact CB-CB 3.96Å; F283-L291 HydrophobicContact CB-CD1 3.83Å; F283-L291 HydrophobicContact CD1-CB 4.37Å; R284-L291 CarbonylContact O-C 3.58Å; R284-L291 WeakPolarHBondContact O-CA 3.46Å; Q289-L291 PolarHBondContact O-N 2.84Å; L291-V317 HydrophobicContact CD1-CG1 4.34Å; L291-V317 HydrophobicContact CD2-CB 4.2Å; L291-I319 HydrophobicContact CD1-CD1 4.13Å
292	Q	56.1	Low	67.6	Low	126 Å²	126	63.2 Å²	63.2	59%	0.589	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.1	168	-67.1	179.5	-7.2	0	0	108.7	F283 R284 Q290 F294	F283-Q292 WeakPolarHBondContact CA-O 3.14Å; R284-Q292 PolarHBondContact N-O 2.72Å; R284-Q292 PolarHBondContact O-N 2.7Å; Q290-Q292 PolarHBondContact O-N 3.14Å; Q292-F294 HydrophobicContact CB-CD2 4.33Å; Q292-F294 HydrophobicContact CB-CE2 3.47Å; Q292-F294 VanDerWaalsContact CB-CE2 3.47Å; Q292-F294 HydrophobicContact CB-CZ 3.72Å; Q292-F294 WeakPolarHBondContact O-CD2 3.36Å; Q292-F294 WeakPolarHBondContact O-CE2 3.46Å; Q292-F294 VanDerWaalsContact OE1-CZ 3.3Å
293	M	69.1	Low	68.3	Low	110 Å²	110	64.8 Å²	64.8	54%	0.542	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.8	172.2	-175.2	-167.9	-73	0	0	109.1	I281 I282 F283	I281-M293 HydrophobicContact CG2-CG 3.75Å; I281-M293 HydrophobicContact CG2-SD 4.24Å; I282-M293 CarbonylContact O-C 3.34Å; I282-M293 WeakPolarHBondContact O-CA 3Å; F283-M293 HydrophobicContact CD1-CB 3.98Å; F283-M293 HydrophobicContact CD1-CG 4.35Å; F283-M293 HydrophobicContact CE1-CB 3.82Å; F283-M293 HydrophobicContact CE1-CE 3.41Å; F283-M293 VanDerWaalsContact CE1-CE 3.41Å; F283-M293 HydrophobicContact CE1-CG 4Å; F283-M293 HydrophobicContact CE2-CE 4.41Å; F283-M293 HydrophobicContact CZ-CE 3.33Å; F283-M293 HydrophobicContact CZ-CG 4.41Å
294	F	67.6	Low	69.3	Low	52 Å²	52	67.9 Å²	67.9	23%	0.228	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.5	172.3	-59.2	-89.7	0	0	0	108.4	I281 I282 R284 Q292	I281-F294 WeakPolarHBondContact CA-O 3.46Å; I282-F294 HydrophobicContact CB-CB 4.31Å; I282-F294 PolarHBondContact N-O 3.25Å; I282-F294 PolarHBondContact O-N 2.77Å; R284-F294 HydrophobicContact CB-CD2 4.02Å; R284-F294 HydrophobicContact CB-CE2 3.77Å; R284-F294 HydrophobicContact CG-CE2 4.29Å; Q292-F294 HydrophobicContact CB-CD2 4.33Å; Q292-F294 HydrophobicContact CB-CE2 3.47Å; Q292-F294 VanDerWaalsContact CB-CE2 3.47Å; Q292-F294 HydrophobicContact CB-CZ 3.72Å; Q292-F294 WeakPolarHBondContact O-CD2 3.36Å; Q292-F294 WeakPolarHBondContact O-CE2 3.46Å; Q292-F294 VanDerWaalsContact OE1-CZ 3.3Å
295	T	79.3	Confident	69.7	Low	97 Å²	97	66.5 Å²	66.5	60%	0.595	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.4	170.8	-57	0	0	0	0	108.2	I281	I281-T295 HydrophobicContact CD1-CG2 3.9Å
296	I	81.4	Confident	70.3	Confident	13 Å²	13	72.4 Å²	72.4	7%	0.067	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	-177.8	-56.2	-173.3	0	0	0	108.1	W267 S279 T280 I282 K300 H303	W267-I296 HydrophobicContact CH2-CD1 3.87Å; W267-I296 HydrophobicContact CH2-CG2 4.33Å; S279-I296 CarbonylContact C-O 3.53Å; S279-I296 WeakPolarHBondContact CA-O 3.37Å; S279-I296 WeakPolarHBondContact CB-O 3.04Å; T280-I296 PolarHBondContact N-O 3.48Å; T280-I296 PolarHBondContact O-N 3.42Å; I282-I296 HydrophobicContact CD1-CD1 3.29Å; I282-I296 HydrophobicContact CD1-CG1 4.41Å; I282-I296 HydrophobicContact CG1-CD1 3.85Å; I296-K300 HydrophobicContact CG2-CB 3.65Å; I296-K300 HydrophobicContact CG2-CD 4.05Å; I296-K300 HydrophobicContact CG2-CG 4.37Å; I296-H303 HydrophobicContact CD1-CB 3.6Å; I296-H303 WeakPolarHBondContact CD1-ND1 3.16Å
297	S	87.8	Confident	70.5	Confident	59 Å²	59	76.9 Å²	76.9	41%	0.413	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	142.4	175.3	179.3	0	0	0	0	110.9	D299 K300	S297-D299 WeakPolarHBondContact CB-OD1 3.47Å; S297-D299 PolarHBondContact O-N 2.78Å; S297-D299 VanDerWaalsContact O-N 3.13Å; S297-D299 PolarHBondContact OG-OD1 3.22Å; S297-K300 PolarHBondContact O-N 3.19Å
298	S	83.2	Confident	70.8	Confident	10 Å²	10	77.2 Å²	77.2	7%	0.07	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.2	-174.6	61	0	0	0	0	115.1	R269 A273 D278	R269-S298 PolarHBondContact NH1-O 3.21Å; R269-S298 PolarHBondContact NH2-O 3.48Å; A273-S298 WeakPolarHBondContact CB-OG 3.37Å; D278-S298 VanDerWaalsContact C-CB 3.47Å; D278-S298 WeakPolarHBondContact O-CB 3.43Å; D278-S298 PolarHBondContact O-N 3.04Å; D278-S298 PolarHBondContact O-OG 3.49Å
299	D	85.5	Confident	71.1	Confident	118 Å²	118	80.8 Å²	80.8	63%	0.631	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.9	166.6	64.9	-44.6	0	0	0	112.2	S297	S297-D299 WeakPolarHBondContact CB-OD1 3.47Å; S297-D299 PolarHBondContact O-N 2.78Å; S297-D299 VanDerWaalsContact O-N 3.13Å; S297-D299 PolarHBondContact OG-OD1 3.22Å
300	K	89.7	Confident	71.3	Confident	115 Å²	115	79.8 Å²	79.8	50%	0.5	40%	0.398	S	S	.	.			trans	-93.9	138.7	-178.7	-60.3	-176.5	179.4	-176.9	0	111.9	W267 R269 I296 S297	W267-K300 WeakPolarHBondContact CZ2-O 3.09Å; R269-K300 PolarHBondContact NH2-O 3.26Å; I296-K300 HydrophobicContact CG2-CB 3.65Å; I296-K300 HydrophobicContact CG2-CD 4.05Å; I296-K300 HydrophobicContact CG2-CG 4.37Å; S297-K300 PolarHBondContact O-N 3.19Å
301	V	87.3	Confident	71.5	Confident	57 Å²	57	79.8 Å²	79.8	35%	0.345	40%	0.398	S	S	.	.			trans	-120.6	11.7	176.4	-70.5	0	0	0	0	112	M266 W267	M266-V301 WeakPolarHBondContact CA-O 3.43Å; W267-V301 PolarHBondContact N-O 2.88Å; W267-V301 WeakPolarHBondContact O-CB 3.35Å
302	E	86.9	Confident	71.3	Confident	68 Å²	68	85.8 Å²	85.8	32%	0.318	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.3	-179.3	61.8	177.3	-151.7	0	0	111.3	L265 M266 Y304	L265-E302 CarbonylContact O-C 3.17Å; L265-E302 VanDerWaalsContact O-CA 3.22Å; L265-E302 WeakPolarHBondContact O-CA 3.16Å; M266-E302 HydrophobicContact CG-CB 4.2Å; E302-Y304 VanDerWaalsContact CD-OH 3.31Å; E302-Y304 HydrophobicContact CG-CE2 4.21Å; E302-Y304 WeakPolarHBondContact OE1-CE2 3.08Å; E302-Y304 VanDerWaalsContact OE1-CZ 3.31Å; E302-Y304 PolarHBondContact OE1-OH 2.8Å
303	H	81.8	Confident	70.9	Confident	32 Å²	32	81.4 Å²	81.4	15%	0.148	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120.7	174.9	-177.5	67.6	0	0	0	110.1	H264 L265 W267 I282 I296	H264-H303 WeakPolarHBondContact CA-O 3.38Å; L265-H303 HydrophobicContact CB-CB 4.44Å; L265-H303 PolarHBondContact N-O 3.43Å; L265-H303 PolarHBondContact O-N 2.85Å; W267-H303 HydrophobicContact CH2-CB 4.27Å; W267-H303 HydrophobicContact CZ3-CB 3.98Å; I282-H303 HydrophobicContact CD1-CB 3.79Å; I296-H303 HydrophobicContact CD1-CB 3.6Å; I296-H303 WeakPolarHBondContact CD1-ND1 3.16Å
304	Y	82.8	Confident	69.8	Low	122 Å²	122	78 Å²	78	48%	0.478	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.4	178.3	-64.9	-87.7	0	0	0	110.8	L258 H264 E302	L258-Y304 HydrophobicContact CD1-CD1 4.12Å; L258-Y304 HydrophobicContact CD1-CE1 3.61Å; H264-Y304 HydrophobicContact CB-CD1 4.15Å; H264-Y304 HydrophobicContact CB-CE1 4.37Å; E302-Y304 VanDerWaalsContact CD-OH 3.31Å; E302-Y304 HydrophobicContact CG-CE2 4.21Å; E302-Y304 WeakPolarHBondContact OE1-CE2 3.08Å; E302-Y304 VanDerWaalsContact OE1-CZ 3.31Å; E302-Y304 PolarHBondContact OE1-OH 2.8Å
305	V	70.9	Confident	68.9	Low	1 Å²	1	80.6 Å²	80.6	1%	0.006	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.1	-179.8	166.6	0	0	0	0	108.6	R263 F318	R263-V305 HydrophobicContact CB-CB 4.25Å; R263-V305 HydrophobicContact CB-CG1 4.48Å; R263-V305 PolarHBondContact O-N 2.76Å; V305-F318 HydrophobicContact CG2-CE1 4.05Å; V305-F318 HydrophobicContact CG2-CZ 4.22Å
306	K	68.7	Low	67.9	Low	135 Å²	135	77.4 Å²	77.4	59%	0.587	39%	0.388	S	S	*	.			trans	-88.5	152.7	167.3	-64.1	-169.9	178	178.7	0	110.2	Y262 R284	Y262-K306 HydrophobicContact CD1-CG 4.39Å; Y262-K306 HydrophobicContact CE1-CG 4.08Å; R284-K306 PolarHBondContact NH2-O 2.78Å
307	D	61.2	Low	66.8	Low	130 Å²	130	79 Å²	79	70%	0.695	40%	0.399	S	S	*	.			trans	58.9	57	171.4	-51	-42.2	0	0	0	114	Q309	D307-Q309 PolarHBondContact O-N 2.75Å
308	F	56.7	Low	65.4	Low	37 Å²	37	78.1 Å²	78.1	16%	0.162	39%	0.388	C	S	.	.			trans	-75.8	108	170.6	-172.2	-92.3	0	0	0	109.7	R263 T310 E316	R263-F308 HydrophobicContact CG-CG 4.47Å; R263-F308 VanDerWaalsContact NH2-CZ 3.33Å; F308-T310 HydrophobicContact CD1-CG2 4.3Å; F308-T310 HydrophobicContact CE1-CG2 3.16Å; F308-T310 WeakPolarHBondContact CE1-OG1 3.25Å; F308-T310 HydrophobicContact CE2-CG2 4.23Å; F308-T310 HydrophobicContact CZ-CG2 3.13Å; F308-E316 WeakPolarHBondContact CD2-OE2 3.36Å; F308-E316 HydrophobicContact CE2-CB 4.24Å; F308-E316 WeakPolarHBondContact CE2-OE2 3.09Å
309	Q	54.7	Low	64.4	Low	128 Å²	128	81.7 Å²	81.7	60%	0.598	41%	0.405	S	S	*	.			trans	-113.5	100.8	168.3	-66.6	-163.3	-2	0	0	108.7	Y286 D307 E311	Y286-Q309 WeakPolarHBondContact CE1-O 2.92Å; Y286-Q309 PolarHBondContact OH-N 2.76Å; Y286-Q309 PolarHBondContact OH-O 2.89Å; D307-Q309 PolarHBondContact O-N 2.75Å; Q309-E311 PolarHBondContact O-N 2.71Å
310	T	49.8	Very low	63.4	Low	86 Å²	86	76.6 Å²	76.6	53%	0.528	38%	0.377	S	S	.	.			trans	-85.6	101.9	157.3	41.4	0	0	0	0	107.9	F308	F308-T310 HydrophobicContact CD1-CG2 4.3Å; F308-T310 HydrophobicContact CE1-CG2 3.16Å; F308-T310 WeakPolarHBondContact CE1-OG1 3.25Å; F308-T310 HydrophobicContact CE2-CG2 4.23Å; F308-T310 HydrophobicContact CZ-CG2 3.13Å
311	E	48.3	Very low	62.1	Low	123 Å²	123	73 Å²	73	58%	0.575	36%	0.362	S	S	*	.			trans	-78.4	152.7	150.8	-63.8	-176.3	167.1	0	0	108.2	Q309 G313 I314	Q309-E311 PolarHBondContact O-N 2.71Å; E311-G313 PolarHBondContact O-N 2.82Å; E311-I314 HydrophobicContact CB-CD1 4.06Å; E311-I314 HydrophobicContact CB-CG1 4.36Å; E311-I314 PolarHBondContact O-N 2.82Å; E311-I314 VanDerWaalsContact O-N 3.15Å
312	E	47.7	Very low	61.1	Low	183 Å²	183	70.7 Å²	70.7	86%	0.855	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.8	174.9	-83.3	-178.2	155.5	0	0	110.5
313	G	48.7	Very low	60.2	Low	33 Å²	33	72 Å²	72	34%	0.34	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-3.7	178.8	0	0	0	0	0	116.2	E311	E311-G313 PolarHBondContact O-N 2.82Å
314	I	45.3	Very low	59.4	Low	40 Å²	40	71.2 Å²	71.2	21%	0.205	35%	0.349	C	S	.	.			trans	-101.7	107.6	175.4	-53.4	-173.8	0	0	0	110	Y286 E311	Y286-I314 HydrophobicContact CD1-CG2 3.3Å; Y286-I314 HydrophobicContact CE1-CG2 4.09Å; Y286-I314 HydrophobicContact CG-CG2 3.54Å; E311-I314 HydrophobicContact CB-CD1 4.06Å; E311-I314 HydrophobicContact CB-CG1 4.36Å; E311-I314 PolarHBondContact O-N 2.82Å; E311-I314 VanDerWaalsContact O-N 3.15Å
315	E	50	Low	58.4	Low	105 Å²	105	67.6 Å²	67.6	49%	0.491	35%	0.349	S	S	.	.			trans	-90.9	127.1	176.8	-67.3	177.6	160.8	0	0	110.6	Y286 S287	Y286-E315 CarbonylContact C-O 3.55Å; Y286-E315 WeakPolarHBondContact CA-O 3.2Å; S287-E315 PolarHBondContact N-O 2.95Å
316	E	56.5	Low	57.6	Low	30 Å²	30	71.3 Å²	71.3	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.2	170	-164.6	177.2	-148.4	0	0	109.8	R284 G285 Y286 F308 F318	R284-E316 IonicContact CZ-OE1 2.85Å; R284-E316 IonicContact NE-OE1 3.92Å; R284-E316 PolarHBondContact NE-OE1 3.12Å; R284-E316 IonicContact NH2-OE1 2.59Å; R284-E316 PolarHBondContact NH2-OE1 3.13Å; G285-E316 CarbonylContact O-C 3.44Å; G285-E316 WeakPolarHBondContact O-CA 3.46Å; G285-E316 WeakPolarHBondContact O-CG 3.2Å; Y286-E316 HydrophobicContact CD1-CB 4.21Å; Y286-E316 HydrophobicContact CD1-CG 4.48Å; Y286-E316 HydrophobicContact CE1-CB 4.31Å; Y286-E316 HydrophobicContact CE1-CG 4.48Å; F308-E316 WeakPolarHBondContact CD2-OE2 3.36Å; F308-E316 HydrophobicContact CE2-CB 4.24Å; F308-E316 WeakPolarHBondContact CE2-OE2 3.09Å; E316-F318 HydrophobicContact CB-CE2 4.23Å; E316-F318 HydrophobicContact CG-CD2 4.49Å; E316-F318 HydrophobicContact CG-CE2 3.71Å; E316-F318 HydrophobicContact CG-CZ 3.88Å; E316-F318 WeakPolarHBondContact OE2-CE2 3.31Å; E316-F318 WeakPolarHBondContact OE2-CZ 3.29Å
317	V	58.6	Low	57	Low	47 Å²	47	66.7 Å²	66.7	29%	0.285	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.7	-177.3	178.5	0	0	0	0	109.2	R284 G285 L291 I319	R284-V317 WeakPolarHBondContact CA-O 3.09Å; G285-V317 PolarHBondContact N-O 3.15Å; G285-V317 PolarHBondContact O-N 2.96Å; L291-V317 HydrophobicContact CD1-CG1 4.34Å; L291-V317 HydrophobicContact CD2-CB 4.2Å; V317-I319 HydrophobicContact CG1-CG1 4.24Å
318	F	59.8	Low	56.9	Low	41 Å²	41	65 Å²	65	18%	0.18	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.9	172.5	-62.8	-90.8	0	0	0	109.9	I255 L265 I282 F283 R284 V305 E316 L320	I255-F318 HydrophobicContact CD1-CD2 4Å; I255-F318 HydrophobicContact CD1-CE2 4.11Å; L265-F318 HydrophobicContact CD1-CD1 4.46Å; L265-F318 HydrophobicContact CD1-CG 4.46Å; L265-F318 HydrophobicContact CD2-CD1 3.83Å; L265-F318 HydrophobicContact CD2-CE1 4.38Å; L265-F318 HydrophobicContact CD2-CG 4.44Å; I282-F318 HydrophobicContact CG2-CD1 4.27Å; F283-F318 WeakPolarHBondContact O-CA 3.49Å; R284-F318 HydrophobicContact CB-CD1 4.06Å; R284-F318 HydrophobicContact CB-CE1 4.08Å; R284-F318 HydrophobicContact CG-CD1 4.11Å; R284-F318 HydrophobicContact CG-CE1 3.65Å; R284-F318 HydrophobicContact CG-CZ 4.26Å; V305-F318 HydrophobicContact CG2-CE1 4.05Å; V305-F318 HydrophobicContact CG2-CZ 4.22Å; E316-F318 HydrophobicContact CB-CE2 4.23Å; E316-F318 HydrophobicContact CG-CD2 4.49Å; E316-F318 HydrophobicContact CG-CE2 3.71Å; E316-F318 HydrophobicContact CG-CZ 3.88Å; E316-F318 WeakPolarHBondContact OE2-CE2 3.31Å; E316-F318 WeakPolarHBondContact OE2-CZ 3.29Å; F318-L320 HydrophobicContact CB-CD1 3.83Å
319	I	61	Low	57.1	Low	85 Å²	85	63.3 Å²	63.3	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.6	169.5	-52.3	173.5	0	0	0	107.2	I282 F283 L291 V317 F321	I282-I319 CarbonylContact C-O 3.48Å; I282-I319 WeakPolarHBondContact CA-O 3.05Å; F283-I319 HydrophobicContact CB-CB 4.15Å; F283-I319 HydrophobicContact CD2-CB 4.39Å; F283-I319 PolarHBondContact N-O 2.92Å; F283-I319 PolarHBondContact O-N 3.31Å; L291-I319 HydrophobicContact CD1-CD1 4.13Å; V317-I319 HydrophobicContact CG1-CG1 4.24Å; I319-F321 HydrophobicContact CG2-CD1 4.35Å
320	L	63.8	Low	56.8	Low	10 Å²	10	59.5 Å²	59.5	5%	0.052	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	-177.3	-56.8	76.3	0	0	0	110.2	I250 V253 L265 W267 I281 I282 F318 P331	I250-L320 HydrophobicContact CD1-CB 3.72Å; V253-L320 HydrophobicContact CG1-CD1 4.1Å; V253-L320 HydrophobicContact CG1-CD2 4.13Å; V253-L320 HydrophobicContact CG2-CD2 4.3Å; L265-L320 HydrophobicContact CD2-CD1 4.01Å; L265-L320 HydrophobicContact CD2-CD2 3.54Å; L265-L320 HydrophobicContact CD2-CG 3.95Å; L265-L320 HydrophobicContact CG-CD2 4.15Å; W267-L320 HydrophobicContact CB-CD2 4.47Å; W267-L320 HydrophobicContact CD2-CD2 4.11Å; W267-L320 HydrophobicContact CE3-CD2 3.9Å; W267-L320 HydrophobicContact CG-CD2 4.38Å; I281-L320 WeakPolarHBondContact O-CA 3.48Å; I282-L320 HydrophobicContact CD1-CD2 4.46Å; I282-L320 HydrophobicContact CG1-CG 4.22Å; F318-L320 HydrophobicContact CB-CD1 3.83Å; L320-P331 WeakPolarHBondContact O-CD 3.44Å
321	F	63.5	Low	56.8	Low	39 Å²	39	57.9 Å²	57.9	17%	0.171	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.7	168.8	48.5	-87.3	0	0	0	110.6	T280 I281 F283 I319 F328 S329	T280-F321 WeakPolarHBondContact CA-O 3.35Å; I281-F321 HydrophobicContact CB-CD2 3.88Å; I281-F321 HydrophobicContact CB-CE1 4.12Å; I281-F321 HydrophobicContact CB-CE2 3.44Å; I281-F321 VanDerWaalsContact CB-CE2 3.44Å; I281-F321 HydrophobicContact CB-CG 4.41Å; I281-F321 HydrophobicContact CB-CZ 3.57Å; I281-F321 HydrophobicContact CG1-CD2 4.1Å; I281-F321 HydrophobicContact CG1-CE2 3.57Å; I281-F321 HydrophobicContact CG1-CZ 4.11Å; I281-F321 HydrophobicContact CG2-CE1 4.05Å; I281-F321 HydrophobicContact CG2-CE2 3.9Å; I281-F321 HydrophobicContact CG2-CZ 3.5Å; I281-F321 PolarHBondContact N-O 3.42Å; I281-F321 PolarHBondContact O-N 2.87Å; I281-F321 VanDerWaalsContact O-N 3.09Å; F283-F321 AromaticContact CD2-CE1 3.74Å; F283-F321 HydrophobicContact CD2-CE1 3.74Å; F283-F321 HydrophobicContact CD2-CZ 4.27Å; F283-F321 AromaticContact CE2-CE1 3.49Å; F283-F321 HydrophobicContact CE2-CE1 3.49Å; F283-F321 VanDerWaalsContact CE2-CE1 3.49Å; F283-F321 AromaticContact CE2-CZ 3.61Å; F283-F321 HydrophobicContact CE2-CZ 3.61Å; I319-F321 HydrophobicContact CG2-CD1 4.35Å; F321-F328 HydrophobicContact CD2-CB 3.83Å; F321-F328 HydrophobicContact CD2-CG 4.49Å; F321-F328 HydrophobicContact CE2-CB 4.41Å; F321-S329 WeakPolarHBondContact CA-O 3.22Å; F321-S329 WeakPolarHBondContact CB-O 3.26Å
322	N	66.8	Low	56.7	Low	9 Å²	9	52.7 Å²	52.7	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	146.4	168.5	-59.4	-48	0	0	0	109.4	V247 P248 I250 S279 T280 F328 S329	V247-N322 HydrophobicContact CG1-CB 3.88Å; P248-N322 PolarHBondContact O-ND2 2.91Å; I250-N322 VanDerWaalsContact CG1-ND2 3.32Å; I250-N322 WeakPolarHBondContact CG1-ND2 3.33Å; S279-N322 CarbonylContact O-C 3.55Å; S279-N322 WeakPolarHBondContact O-CA 3.35Å; T280-N322 PolarHBondContact OG1-OD1 2.86Å; N322-F328 CarbonylContact O-C 3.59Å; N322-F328 WeakPolarHBondContact O-CA 3.45Å; N322-F328 VanDerWaalsContact O-CB 3.28Å; N322-F328 WeakPolarHBondContact O-CB 3.35Å; N322-S329 WeakPolarHBondContact CB-OG 3.3Å; N322-S329 PolarHBondContact N-OG 3.45Å; N322-S329 PolarHBondContact O-N 3.41Å
323	K	66.7	Low	56.2	Low	95 Å²	95	50 Å²	50	41%	0.413	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.3	175	178.6	-173.3	176.6	-172.7	0	108.8	D278 S279 I281 G325 R327	D278-K323 WeakPolarHBondContact CA-O 3.42Å; S279-K323 PolarHBondContact N-O 2.81Å; S279-K323 PolarHBondContact O-N 3.36Å; I281-K323 HydrophobicContact CD1-CD 4.33Å; I281-K323 HydrophobicContact CG1-CB 4.04Å; I281-K323 HydrophobicContact CG1-CD 4.42Å; K323-G325 WeakPolarHBondContact CE-O 3.42Å; K323-R327 CarbonylContact C-O 3.48Å; K323-R327 WeakPolarHBondContact CA-O 3.49Å
324	H	65	Low	55.2	Low	16 Å²	16	52.2 Å²	52.2	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	102.3	174.5	174.5	60.9	0	0	0	108.6	K245 V247 E275 D278 N326 R327	K245-H324 PolarHBondContact NZ-CE1 3.05Å; K245-H324 PolarHBondContact NZ-NE2 2.87Å; V247-H324 HydrophobicContact CG1-CB 4.08Å; V247-H324 HydrophobicContact CG2-CB 3.66Å; E275-H324 IonicContact OE1-CE1 3.22Å; E275-H324 PolarHBondContact OE1-CE1 3.08Å; D278-H324 WeakPolarHBondContact OD1-CA 3.01Å; D278-H324 IonicContact OD1-CE1 3.31Å; D278-H324 IonicContact OD1-CG 2.72Å; D278-H324 IonicContact OD1-ND1 3.01Å; D278-H324 PolarHBondContact OD1-ND1 3.38Å; D278-H324 IonicContact OD2-ND1 3.35Å; D278-H324 PolarHBondContact OD2-ND1 2.88Å; H324-N326 PolarHBondContact O-N 2.98Å; H324-N326 VanDerWaalsContact O-N 3.08Å; H324-R327 PolarHBondContact N-O 2.98Å; H324-R327 WeakPolarHBondContact O-CA 3.22Å; H324-R327 WeakPolarHBondContact O-CB 3.13Å; H324-R327 PolarHBondContact O-N 2.69Å
325	G	61.9	Low	54.2	Low	47 Å²	47	58 Å²	58	49%	0.485	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-115.3	-171.9	0	0	0	0	0	112.1	K323	K323-G325 WeakPolarHBondContact CE-O 3.42Å
326	N	54.5	Low	52.8	Low	78 Å²	78	58.7 Å²	58.7	42%	0.417	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.9	178.3	-64.1	-1.9	0	0	0	113.6	L136 H324	L136-N326 HydrophobicContact CD2-CB 3.58Å; L136-N326 WeakPolarHBondContact CD2-OD1 3.06Å; H324-N326 PolarHBondContact O-N 2.98Å; H324-N326 VanDerWaalsContact O-N 3.08Å
327	R	56.9	Low	51.2	Low	39 Å²	39	62.4 Å²	62.4	15%	0.147	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	156.3	-177.2	-56.2	-178.1	179.7	155.6	8.2	110.7	A146 Y147 K245 V247 K323 H324	A146-R327 HydrophobicContact CB-CG 4.32Å; Y147-R327 PolarHBondContact O-NE 3.09Å; Y147-R327 PolarHBondContact O-NH2 2.87Å; K245-R327 PolarHBondContact O-NH1 2.95Å; V247-R327 HydrophobicContact CG2-CB 3.75Å; K323-R327 CarbonylContact C-O 3.48Å; K323-R327 WeakPolarHBondContact CA-O 3.49Å; H324-R327 PolarHBondContact N-O 2.98Å; H324-R327 WeakPolarHBondContact O-CA 3.22Å; H324-R327 WeakPolarHBondContact O-CB 3.13Å; H324-R327 PolarHBondContact O-N 2.69Å
328	F	58.9	Low	49.4	Very low	95 Å²	95	67.8 Å²	67.8	42%	0.417	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.5	169	62.8	-86.7	0	0	0	110.8	F321 N322 L330	F321-F328 HydrophobicContact CD2-CB 3.83Å; F321-F328 HydrophobicContact CD2-CG 4.49Å; F321-F328 HydrophobicContact CE2-CB 4.41Å; N322-F328 CarbonylContact O-C 3.59Å; N322-F328 WeakPolarHBondContact O-CA 3.45Å; N322-F328 VanDerWaalsContact O-CB 3.28Å; N322-F328 WeakPolarHBondContact O-CB 3.35Å; F328-L330 HydrophobicContact CD2-CD2 4.21Å; F328-L330 HydrophobicContact CD2-CG 4.44Å; F328-L330 HydrophobicContact CE2-CD2 3.96Å; F328-L330 HydrophobicContact CE2-CG 4.15Å
329	S	60	Low	47.6	Very low	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.4	168.2	54.2	0	0	0	0	110.6	P248 F321 N322	P248-S329 WeakPolarHBondContact O-CB 3.31Å; P248-S329 PolarHBondContact O-OG 3.31Å; F321-S329 WeakPolarHBondContact CA-O 3.22Å; F321-S329 WeakPolarHBondContact CB-O 3.26Å; N322-S329 WeakPolarHBondContact CB-OG 3.3Å; N322-S329 PolarHBondContact N-OG 3.45Å; N322-S329 PolarHBondContact O-N 3.41Å
330	L	49.4	Very low	45.7	Very low	48 Å²	48	76.7 Å²	76.7	25%	0.251	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-88.7	151.1	167.4	-67.3	175.2	0	0	0	110.2	Q166 E167 F328	Q166-L330 HydrophobicContact CG-CD1 3.43Å; Q166-L330 VanDerWaalsContact CG-CD1 3.43Å; E167-L330 WeakPolarHBondContact O-CB 3.33Å; E167-L330 WeakPolarHBondContact O-CD1 3.42Å; F328-L330 HydrophobicContact CD2-CD2 4.21Å; F328-L330 HydrophobicContact CD2-CG 4.44Å; F328-L330 HydrophobicContact CE2-CD2 3.96Å; F328-L330 HydrophobicContact CE2-CG 4.15Å
331	P	49	Very low	43.8	Very low	52 Å²	52	82.1 Å²	82.1	34%	0.338	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.3	175.4	26.7	-31.8	0	0	0	110.2	I250 L320	I250-P331 HydrophobicContact CB-CB 4.04Å; I250-P331 HydrophobicContact CG2-CB 4.33Å; I250-P331 CarbonylContact O-C 3.49Å; I250-P331 VanDerWaalsContact O-CA 3.23Å; I250-P331 WeakPolarHBondContact O-CA 3.05Å; L320-P331 WeakPolarHBondContact O-CD 3.44Å
332	T	46.1	Very low	42.1	Very low	15 Å²	15	88 Å²	88	9%	0.092	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-75.6	127.5	167.1	46.7	0	0	0	0	109.2	T169 R249 I250 E251 V334	T169-T332 HydrophobicContact CG2-CG2 3.82Å; T169-T332 WeakPolarHBondContact OG1-CA 3.26Å; T169-T332 WeakPolarHBondContact OG1-CB 3.21Å; R249-T332 HydrophobicContact CB-CG2 3.8Å; R249-T332 HydrophobicContact CG-CG2 4.21Å; I250-T332 PolarHBondContact O-N 3.27Å; I250-T332 PolarHBondContact O-OG1 3.06Å; I250-T332 VanDerWaalsContact O-OG1 3.06Å; E251-T332 WeakPolarHBondContact CG-OG1 3.39Å; T332-V334 PolarHBondContact O-N 3.37Å
333	M	37.1	Very low	40.3	Very low	127 Å²	127	91.1 Å²	91.1	63%	0.626	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-73.9	123.2	168.5	-74.9	-170.5	-78.3	0	0	109	T169 F373	T169-M333 PolarHBondContact OG1-N 3.43Å; T169-M333 PolarHBondContact OG1-O 2.94Å; M333-F373 HydrophobicContact CE-CE2 4.21Å; M333-F373 HydrophobicContact SD-CE2 3.75Å; M333-F373 HydrophobicContact SD-CZ 4.13Å
334	V	28.5	Very low	38.5	Very low	78 Å²	78	94.9 Å²	94.9	47%	0.473	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-95	117.9	157.6	-179.9	0	0	0	0	106	T332 T336	T332-V334 PolarHBondContact O-N 3.37Å; V334-T336 VanDerWaalsContact C-N 3.28Å; V334-T336 HydrophobicContact CG1-CG2 4.27Å; V334-T336 PolarHBondContact O-N 3.46Å
335	I	24	Very low	36.8	Very low	162 Å²	162	102 Å²	102	83%	0.831	57%	0.572	S	S	*	*			trans	-68.6	91.6	168.4	-58.4	170.6	0	0	0	106.7
336	T	21.7	Very low	35	Very low	120 Å²	120	107.8 Å²	107.8	74%	0.736	59%	0.587	S	S	*	*			trans	-87.1	123.8	158.1	34	0	0	0	0	107.5	V334 L338	V334-T336 VanDerWaalsContact C-N 3.28Å; V334-T336 HydrophobicContact CG1-CG2 4.27Å; V334-T336 PolarHBondContact O-N 3.46Å; T336-L338 PolarHBondContact O-N 3.25Å
337	S	21.3	Very low	33.6	Very low	108 Å²	108	108.8 Å²	108.8	76%	0.755	60%	0.598	S	S	*	*			trans	-32.5	127.5	-174	53.9	0	0	0	0	115.2	H339	S337-H339 PolarHBondContact O-N 3.34Å
338	L	22.2	Very low	32.1	Very low	160 Å²	160	111.5 Å²	111.5	84%	0.838	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-52.6	121.6	171.3	-75.2	154.4	0	0	0	111.3	T336 T340	T336-L338 PolarHBondContact O-N 3.25Å; L338-T340 PolarHBondContact O-N 3.23Å
339	H	21	Very low	30.6	Very low	184 Å²	184	116.1 Å²	116.1	85%	0.852	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-75.8	116.3	156.1	-113.4	-81.5	0	0	0	108.1	S337	S337-H339 PolarHBondContact O-N 3.34Å
340	T	22	Very low	29	Very low	128 Å²	128	120.8 Å²	120.8	79%	0.785	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-78.1	120.6	175.1	-39.5	0	0	0	0	109.9	L338	L338-T340 PolarHBondContact O-N 3.23Å
341	V	24.2	Very low	27.9	Very low	125 Å²	125	126.3 Å²	126.3	76%	0.758	69%	0.693	S	S	*	*			trans	-144.1	113.5	160.8	-174.3	0	0	0	0	110.7	G343	V341-G343 PolarHBondContact O-N 3.17Å
342	N	26.8	Very low	27	Very low	161 Å²	161	129.6 Å²	129.6	86%	0.861	71%	0.712	S	S	*	*			trans	19.6	81.9	162.9	-64.7	-10.7	0	0	0	119.7
343	G	29.6	Very low	26.2	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	72%	0.72	S	S	*	*			trans	-69.2	144.3	179.5	0	0	0	0	0	117.5	V341	V341-G343 PolarHBondContact O-N 3.17Å
344	Q	27.6	Very low	25.8	Very low	173 Å²	173	127.6 Å²	127.6	81%	0.808	70%	0.703	S	S	*	*			trans	-138.9	151	156.6	-70.7	-173.2	-34.9	0	0	107.1
345	H	30.1	Very low	26.3	Very low	166 Å²	166	129.1 Å²	129.1	77%	0.769	71%	0.707	S	S	*	*			trans	178	138.4	137.5	-82.3	-45.4	0	0	0	111.8
346	E	24.7	Very low	26.9	Very low	169 Å²	169	124.1 Å²	124.1	79%	0.79	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-94.6	159.1	172.9	-77.1	-169.6	153.2	0	0	111.5
347	P	25.4	Very low	27.7	Very low	99 Å²	99	125.7 Å²	125.7	64%	0.643	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.7	180	-12.3	27.1	0	0	0	112.8
348	A	24.7	Very low	28.5	Very low	95 Å²	95	124 Å²	124	79%	0.785	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-96.5	132.7	177.4	0	0	0	0	0	112.6
349	Y	27.1	Very low	29.3	Very low	193 Å²	193	125.9 Å²	125.9	76%	0.757	67%	0.673	S	S	*	*			trans	-110.3	133.5	169.8	-58.6	-90.7	0	0	0	109	E351	Y349-E351 PolarHBondContact O-N 2.62Å
350	L	27.2	Very low	30.5	Very low	98 Å²	98	122.6 Å²	122.6	51%	0.513	66%	0.661	S	S	.	*			trans	-81.5	94.9	170	-90.2	150.8	0	0	0	109.6	T352 N353	L350-T352 PolarHBondContact O-N 2.96Å; L350-N353 HydrophobicContact CB-CB 4.41Å; L350-N353 PolarHBondContact O-N 2.65Å
351	E	26.7	Very low	31.3	Very low	163 Å²	163	118.5 Å²	118.5	76%	0.762	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-56.3	-28	173.7	-80.3	-168.7	151.1	0	0	112.7	Y349 N353	Y349-E351 PolarHBondContact O-N 2.62Å; E351-N353 VanDerWaalsContact C-N 3.28Å; E351-N353 PolarHBondContact O-N 2.73Å
352	T	29.8	Very low	32	Very low	121 Å²	121	114.2 Å²	114.2	74%	0.742	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-81.7	1.4	-174.5	56	0	0	0	0	114.5	L350	L350-T352 PolarHBondContact O-N 2.96Å
353	N	28.9	Very low	32.6	Very low	47 Å²	47	107.1 Å²	107.1	25%	0.251	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-97	9.4	178.1	-85	-22.8	0	0	0	114.2	L350 E351	L350-N353 HydrophobicContact CB-CB 4.41Å; L350-N353 PolarHBondContact O-N 2.65Å; E351-N353 VanDerWaalsContact C-N 3.28Å; E351-N353 PolarHBondContact O-N 2.73Å
354	M	27.7	Very low	32.9	Very low	53 Å²	53	104.7 Å²	104.7	26%	0.261	54%	0.539	S	S	.	.			trans	-83.7	106.8	172.1	-68	-166.7	-58.9	0	0	109.5	A356 N357 R359	M354-A356 CarbonylContact C-O 3.37Å; M354-A356 WeakPolarHBondContact CB-O 3.31Å; M354-A356 PolarHBondContact O-N 2.77Å; M354-N357 HydrophobicContact CE-CB 4.42Å; M354-N357 WeakPolarHBondContact CE-OD1 3.33Å; M354-R359 HydrophobicContact SD-CG 4.34Å
355	I	39.2	Very low	33.4	Very low	110 Å²	110	98.4 Å²	98.4	56%	0.564	51%	0.508	S	S	*	.	S	Bend	trans	-66.7	-24.4	178.1	-64.8	175.7	0	0	0	111.2	T363 M381	I355-T363 HydrophobicContact CD1-CG2 3.79Å; I355-M381 HydrophobicContact CD1-CE 4.12Å; I355-M381 HydrophobicContact CD1-CG 4.19Å; I355-M381 HydrophobicContact CD1-SD 3.55Å; I355-M381 VanDerWaalsContact CD1-SD 3.55Å; I355-M381 HydrophobicContact CG1-SD 4.39Å
356	A	36.8	Very low	33.7	Very low	58 Å²	58	93.2 Å²	93.2	48%	0.479	49%	0.488	S	S	.	.	S	Bend	trans	-138.5	155.3	155.6	0	0	0	0	0	105.5	M354 D358	M354-A356 CarbonylContact C-O 3.37Å; M354-A356 WeakPolarHBondContact CB-O 3.31Å; M354-A356 PolarHBondContact O-N 2.77Å; A356-D358 PolarHBondContact O-N 3Å
357	N	39.6	Very low	34.3	Very low	152 Å²	152	87.8 Å²	87.8	81%	0.813	46%	0.464	S	S	*	.	S	Bend	trans	-56.5	21	-179.9	-75.2	-19.2	0	0	0	116	M354	M354-N357 HydrophobicContact CE-CB 4.42Å; M354-N357 WeakPolarHBondContact CE-OD1 3.33Å
358	D	38.6	Very low	34.7	Very low	74 Å²	74	84.9 Å²	84.9	40%	0.396	44%	0.442	S	S	.	.			trans	-95.2	113.7	168	-176.6	-0.8	0	0	0	111	A356 N360 T361	A356-D358 PolarHBondContact O-N 3Å; D358-N360 PolarHBondContact O-N 2.86Å; D358-N360 VanDerWaalsContact O-N 3.07Å; D358-N360 VanDerWaalsContact OD1-CB 3.27Å; D358-N360 WeakPolarHBondContact OD1-CB 3.45Å; D358-N360 VanDerWaalsContact OD1-CG 3.32Å; D358-N360 PolarHBondContact OD1-N 2.96Å; D358-N360 PolarHBondContact OD1-ND2 2.96Å; D358-T361 HydrophobicContact CB-CG2 4.42Å; D358-T361 PolarHBondContact O-N 3.13Å; D358-T361 VanDerWaalsContact O-N 3.09Å; D358-T361 PolarHBondContact O-OG1 3.42Å
359	R	38.9	Very low	34.9	Very low	199 Å²	199	86.6 Å²	86.6	75%	0.751	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-60.2	-16.5	178	-67.5	-178.4	177.5	-176.7	-2.1	113.7	M354 T361 N362	M354-R359 HydrophobicContact SD-CG 4.34Å; R359-T361 PolarHBondContact O-N 3.25Å; R359-N362 PolarHBondContact O-ND2 3.22Å
360	N	45.6	Very low	35.1	Very low	114 Å²	114	80.1 Å²	80.1	61%	0.61	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-75.7	-10.6	177.7	-58.1	-45.5	0	0	0	113	V125 D358	V125-N360 VanDerWaalsContact CG2-O 3.26Å; V125-N360 WeakPolarHBondContact CG2-O 3.37Å; D358-N360 PolarHBondContact O-N 2.86Å; D358-N360 VanDerWaalsContact O-N 3.07Å; D358-N360 VanDerWaalsContact OD1-CB 3.27Å; D358-N360 WeakPolarHBondContact OD1-CB 3.45Å; D358-N360 VanDerWaalsContact OD1-CG 3.32Å; D358-N360 PolarHBondContact OD1-N 2.96Å; D358-N360 PolarHBondContact OD1-ND2 2.96Å
361	T	37.9	Very low	35.4	Very low	42 Å²	42	82.7 Å²	82.7	26%	0.258	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-100.3	12.7	-177.2	64.2	0	0	0	0	114.7	D358 R359 T363	D358-T361 HydrophobicContact CB-CG2 4.42Å; D358-T361 PolarHBondContact O-N 3.13Å; D358-T361 VanDerWaalsContact O-N 3.09Å; D358-T361 PolarHBondContact O-OG1 3.42Å; R359-T361 PolarHBondContact O-N 3.25Å; T361-T363 PolarHBondContact O-N 2.89Å
362	N	38.9	Very low	35.7	Very low	35 Å²	35	78.6 Å²	78.6	19%	0.187	42%	0.424	C	S	.	.			trans	-66	119	-176.3	-80.6	-9.4	0	0	0	112.9	R359 R365	R359-N362 PolarHBondContact O-ND2 3.22Å; N362-R365 HydrophobicContact CB-CG 4.31Å
363	T	40.7	Very low	35.8	Very low	13 Å²	13	78.7 Å²	78.7	8%	0.08	41%	0.414	C	S	.	.	S	Bend	trans	-88.2	-12.7	-178.9	46.9	0	0	0	0	114.1	I355 T361 W378 K379 M381	I355-T363 HydrophobicContact CD1-CG2 3.79Å; T361-T363 PolarHBondContact O-N 2.89Å; T363-W378 WeakPolarHBondContact O-CA 3.46Å; T363-K379 VanDerWaalsContact CB-O 3.32Å; T363-K379 WeakPolarHBondContact CB-O 3.34Å; T363-K379 PolarHBondContact O-N 2.87Å; T363-M381 HydrophobicContact CG2-CE 4.47Å; T363-M381 HydrophobicContact CG2-CG 4.21Å
364	F	34.8	Very low	36	Very low	25 Å²	25	80.7 Å²	80.7	11%	0.11	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	128.7	-179	179.3	-91.6	0	0	0	109.7	V366 F376 W378 W391	F364-V366 HydrophobicContact CE1-CG2 3.84Å; F364-V366 HydrophobicContact CZ-CG2 4.35Å; F364-F376 HydrophobicContact CD2-CD2 4.44Å; F364-F376 HydrophobicContact CE2-CB 3.85Å; F364-F376 AromaticContact CE2-CD2 3.33Å; F364-F376 HydrophobicContact CE2-CD2 3.33Å; F364-F376 AromaticContact CE2-CE2 3.98Å; F364-F376 HydrophobicContact CE2-CE2 3.98Å; F364-F376 AromaticContact CE2-CG 3.72Å; F364-F376 HydrophobicContact CE2-CG 3.72Å; F364-F376 HydrophobicContact CZ-CB 3.56Å; F364-F376 HydrophobicContact CZ-CD1 4.39Å; F364-F376 AromaticContact CZ-CD2 3.81Å; F364-F376 HydrophobicContact CZ-CD2 3.81Å; F364-F376 AromaticContact CZ-CG 3.67Å; F364-F376 HydrophobicContact CZ-CG 3.67Å; F364-W378 HydrophobicContact CD2-CB 3.6Å; F364-W378 HydrophobicContact CE2-CB 4.24Å; F364-W391 AromaticContact CD1-CH2 3.91Å; F364-W391 HydrophobicContact CD1-CH2 3.91Å; F364-W391 HydrophobicContact CD1-CZ3 4.17Å; F364-W391 AromaticContact CD2-CH2 3.59Å; F364-W391 HydrophobicContact CD2-CH2 3.59Å; F364-W391 HydrophobicContact CD2-CZ2 4.27Å; F364-W391 AromaticContact CE1-CH2 3.43Å; F364-W391 HydrophobicContact CE1-CH2 3.43Å; F364-W391 VanDerWaalsContact CE1-CH2 3.43Å; F364-W391 AromaticContact CE1-CZ3 3.46Å; F364-W391 HydrophobicContact CE1-CZ3 3.46Å; F364-W391 VanDerWaalsContact CE1-CZ3 3.46Å; F364-W391 AromaticContact CE2-CH2 3.09Å; F364-W391 HydrophobicContact CE2-CH2 3.09Å; F364-W391 AromaticContact CE2-CZ2 3.75Å; F364-W391 HydrophobicContact CE2-CZ2 3.75Å; F364-W391 AromaticContact CE2-CZ3 3.94Å; F364-W391 HydrophobicContact CE2-CZ3 3.94Å; F364-W391 AromaticContact CG-CH2 3.99Å; F364-W391 HydrophobicContact CG-CH2 3.99Å; F364-W391 AromaticContact CZ-CH2 3.01Å; F364-W391 HydrophobicContact CZ-CH2 3.01Å; F364-W391 HydrophobicContact CZ-CZ2 4.01Å; F364-W391 AromaticContact CZ-CZ3 3.34Å; F364-W391 HydrophobicContact CZ-CZ3 3.34Å
365	R	38.4	Very low	36.3	Very low	41 Å²	41	80 Å²	80	16%	0.155	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139	172.8	-73	115.3	153.2	-91.2	35.8	111.1	R121 I122 N362 F376 E377	R121-R365 VanDerWaalsContact C-NH1 3.27Å; R121-R365 PolarHBondContact O-NH1 3.49Å; I122-R365 VanDerWaalsContact CA-CZ 3.42Å; I122-R365 HydrophobicContact CD1-CB 3.21Å; I122-R365 HydrophobicContact CD1-CG 3.37Å; I122-R365 HydrophobicContact CG1-CB 3.69Å; I122-R365 HydrophobicContact CG1-CG 3.94Å; N362-R365 HydrophobicContact CB-CG 4.31Å; R365-F376 WeakPolarHBondContact O-CA 3.37Å; R365-F376 WeakPolarHBondContact O-CB 3.05Å; R365-E377 PolarHBondContact N-O 3.17Å; R365-E377 PolarHBondContact O-N 3.19Å
366	V	37.2	Very low	36.2	Very low	57 Å²	57	78.8 Å²	78.8	35%	0.345	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.5	171.9	178	0	0	0	0	107.6	F364 M374	F364-V366 HydrophobicContact CE1-CG2 3.84Å; F364-V366 HydrophobicContact CZ-CG2 4.35Å; V366-M374 HydrophobicContact CB-SD 4.33Å; V366-M374 HydrophobicContact CG1-CE 4.42Å; V366-M374 HydrophobicContact CG1-CG 3.48Å; V366-M374 VanDerWaalsContact CG1-CG 3.48Å; V366-M374 HydrophobicContact CG1-SD 3.73Å; V366-M374 HydrophobicContact CG2-CG 4.35Å; V366-M374 HydrophobicContact CG2-SD 3.6Å
367	I	36.5	Very low	36	Very low	55 Å²	55	79.5 Å²	79.5	28%	0.282	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-37.3	-178.3	-53.9	169.8	0	0	0	109.7	A375 E377	I367-A375 PolarHBondContact N-O 3.42Å; I367-E377 HydrophobicContact CD1-CB 3.58Å; I367-E377 HydrophobicContact CG1-CB 3.94Å
368	Q	33	Very low	36.2	Very low	38 Å²	38	79.6 Å²	79.6	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	140.1	-177	-165.1	174.4	1.5	0	0	111.5	V36 I37 Q370 M374 A375	V36-Q368 PolarHBondContact O-NE2 2.61Å; I37-Q368 PolarHBondContact O-NE2 3.29Å; I37-Q368 PolarHBondContact O-OE1 3.44Å; I37-Q368 VanDerWaalsContact O-OE1 3.06Å; Q368-Q370 HydrophobicContact CG-CG 4.34Å; Q368-M374 CarbonylContact O-C 3.31Å; Q368-M374 VanDerWaalsContact O-CA 3.31Å; Q368-M374 WeakPolarHBondContact O-CA 3.16Å; Q368-A375 HydrophobicContact CB-CB 4.18Å; Q368-A375 PolarHBondContact N-O 3.47Å; Q368-A375 PolarHBondContact O-N 2.9Å
369	E	30.5	Very low	36.1	Very low	131 Å²	131	78.9 Å²	78.9	61%	0.612	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.2	173.5	-172.4	174.4	-168	0	0	108.5	M374	E369-M374 HydrophobicContact CG-CE 4.27Å
370	Q	30.3	Very low	36.1	Very low	57 Å²	57	70.9 Å²	70.9	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.8	172.3	-61	-168.5	11.5	0	0	108.8	I37 Q368 A372 F373	I37-Q370 PolarHBondContact O-NE2 2.8Å; Q368-Q370 HydrophobicContact CG-CG 4.34Å; Q370-A372 PolarHBondContact O-N 2.61Å; Q370-F373 WeakPolarHBondContact CA-O 3.47Å; Q370-F373 PolarHBondContact N-O 3.18Å; Q370-F373 PolarHBondContact O-N 3.45Å; Q370-F373 VanDerWaalsContact O-O 3.09Å
371	T	33	Very low	35.5	Very low	151 Å²	151	69.2 Å²	69.2	93%	0.926	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-19.9	-174.6	1	0	0	0	0	115.1
372	A	34.3	Very low	35.5	Very low	77 Å²	77	71.2 Å²	71.2	64%	0.636	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-4.3	175.6	0	0	0	0	0	114.8	Q370	Q370-A372 PolarHBondContact O-N 2.61Å
373	F	31.1	Very low	35.3	Very low	123 Å²	123	75 Å²	75	54%	0.539	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.7	-173.7	-59.2	-75.7	0	0	0	112.2	M333 Q370	M333-F373 HydrophobicContact CE-CE2 4.21Å; M333-F373 HydrophobicContact SD-CE2 3.75Å; M333-F373 HydrophobicContact SD-CZ 4.13Å; Q370-F373 WeakPolarHBondContact CA-O 3.47Å; Q370-F373 PolarHBondContact N-O 3.18Å; Q370-F373 PolarHBondContact O-N 3.45Å; Q370-F373 VanDerWaalsContact O-O 3.09Å
374	M	32.5	Very low	35	Very low	89 Å²	89	83 Å²	83	44%	0.438	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	169.4	-171.3	179.2	-69.8	0	0	108.7	V366 Q368 E369	V366-M374 HydrophobicContact CB-SD 4.33Å; V366-M374 HydrophobicContact CG1-CE 4.42Å; V366-M374 HydrophobicContact CG1-CG 3.48Å; V366-M374 VanDerWaalsContact CG1-CG 3.48Å; V366-M374 HydrophobicContact CG1-SD 3.73Å; V366-M374 HydrophobicContact CG2-CG 4.35Å; V366-M374 HydrophobicContact CG2-SD 3.6Å; Q368-M374 CarbonylContact O-C 3.31Å; Q368-M374 VanDerWaalsContact O-CA 3.31Å; Q368-M374 WeakPolarHBondContact O-CA 3.16Å; E369-M374 HydrophobicContact CG-CE 4.27Å
375	A	33.9	Very low	34.8	Very low	40 Å²	40	87 Å²	87	33%	0.331	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.5	169.2	0	0	0	0	0	109	I367 Q368	I367-A375 PolarHBondContact N-O 3.42Å; Q368-A375 HydrophobicContact CB-CB 4.18Å; Q368-A375 PolarHBondContact N-O 3.47Å; Q368-A375 PolarHBondContact O-N 2.9Å
376	F	36.7	Very low	34.5	Very low	84 Å²	84	89.8 Å²	89.8	37%	0.368	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.6	-176.1	56.6	-95.2	0	0	0	111.7	F364 R365 W378	F364-F376 HydrophobicContact CD2-CD2 4.44Å; F364-F376 HydrophobicContact CE2-CB 3.85Å; F364-F376 AromaticContact CE2-CD2 3.33Å; F364-F376 HydrophobicContact CE2-CD2 3.33Å; F364-F376 AromaticContact CE2-CE2 3.98Å; F364-F376 HydrophobicContact CE2-CE2 3.98Å; F364-F376 AromaticContact CE2-CG 3.72Å; F364-F376 HydrophobicContact CE2-CG 3.72Å; F364-F376 HydrophobicContact CZ-CB 3.56Å; F364-F376 HydrophobicContact CZ-CD1 4.39Å; F364-F376 AromaticContact CZ-CD2 3.81Å; F364-F376 HydrophobicContact CZ-CD2 3.81Å; F364-F376 AromaticContact CZ-CG 3.67Å; F364-F376 HydrophobicContact CZ-CG 3.67Å; R365-F376 WeakPolarHBondContact O-CA 3.37Å; R365-F376 WeakPolarHBondContact O-CB 3.05Å; F376-W378 AromaticContact CD2-CE3 3.89Å; F376-W378 HydrophobicContact CD2-CE3 3.89Å; F376-W378 HydrophobicContact CD2-CZ3 4.42Å; F376-W378 AromaticContact CE2-CE3 3.54Å; F376-W378 HydrophobicContact CE2-CE3 3.54Å; F376-W378 AromaticContact CE2-CZ3 3.7Å; F376-W378 HydrophobicContact CE2-CZ3 3.7Å
377	E	33.8	Very low	34.3	Very low	73 Å²	73	93.6 Å²	93.6	34%	0.341	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.8	173.9	-170.1	-177	174.7	0	0	108.3	R365 I367	R365-E377 PolarHBondContact N-O 3.17Å; R365-E377 PolarHBondContact O-N 3.19Å; I367-E377 HydrophobicContact CD1-CB 3.58Å; I367-E377 HydrophobicContact CG1-CB 3.94Å
378	W	43.1	Very low	34	Very low	154 Å²	154	97.9 Å²	97.9	58%	0.583	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.5	177.6	89.8	83.9	0	0	0	112.8	T363 F364 F376 P380	T363-W378 WeakPolarHBondContact O-CA 3.46Å; F364-W378 HydrophobicContact CD2-CB 3.6Å; F364-W378 HydrophobicContact CE2-CB 4.24Å; F376-W378 AromaticContact CD2-CE3 3.89Å; F376-W378 HydrophobicContact CD2-CE3 3.89Å; F376-W378 HydrophobicContact CD2-CZ3 4.42Å; F376-W378 AromaticContact CE2-CE3 3.54Å; F376-W378 HydrophobicContact CE2-CE3 3.54Å; F376-W378 AromaticContact CE2-CZ3 3.7Å; F376-W378 HydrophobicContact CE2-CZ3 3.7Å; W378-P380 VanDerWaalsContact CD1-CD 3.49Å
379	K	36.1	Very low	33.8	Very low	59 Å²	59	100.5 Å²	100.5	26%	0.257	51%	0.513	S	S	.	.			trans	-126	109.3	172.7	-65.9	179.6	-172.5	167	0	108.4	V125 I127 T363	V125-K379 VanDerWaalsContact C-CD 3.49Å; V125-K379 WeakPolarHBondContact O-CB 3.25Å; V125-K379 WeakPolarHBondContact O-CD 3.25Å; V125-K379 WeakPolarHBondContact O-CG 3.25Å; I127-K379 CarbonylContact O-C 3.49Å; T363-K379 VanDerWaalsContact CB-O 3.32Å; T363-K379 WeakPolarHBondContact CB-O 3.34Å; T363-K379 PolarHBondContact O-N 2.87Å
380	P	39.1	Very low	33.8	Very low	30 Å²	30	99.8 Å²	99.8	20%	0.195	51%	0.509	C	S	.	.			trans	-57.3	175.3	-178.6	-11.5	11.4	0	0	0	119.1	I127 G128 L129 W378	I127-P380 CarbonylContact C-O 3.55Å; I127-P380 WeakPolarHBondContact CB-O 3.42Å; I127-P380 WeakPolarHBondContact CG2-O 3.32Å; I127-P380 CarbonylContact O-C 3.52Å; I127-P380 WeakPolarHBondContact O-CA 3.2Å; I127-P380 WeakPolarHBondContact O-CB 3.4Å; I127-P380 WeakPolarHBondContact O-CD 3.44Å; I127-P380 WeakPolarHBondContact O-CG 3.43Å; G128-P380 VanDerWaalsContact CA-CB 3.41Å; G128-P380 WeakPolarHBondContact O-CB 3.17Å; L129-P380 HydrophobicContact CB-CB 4.4Å; L129-P380 HydrophobicContact CB-CG 4.4Å; W378-P380 VanDerWaalsContact CD1-CD 3.49Å
381	M	34.7	Very low	33.8	Very low	79 Å²	79	103 Å²	103	39%	0.389	52%	0.519	S	S	.	.			trans	-116.3	147	179.2	-66.3	-177.4	-126.3	0	0	113.7	I355 T363 H383	I355-M381 HydrophobicContact CD1-CE 4.12Å; I355-M381 HydrophobicContact CD1-CG 4.19Å; I355-M381 HydrophobicContact CD1-SD 3.55Å; I355-M381 VanDerWaalsContact CD1-SD 3.55Å; I355-M381 HydrophobicContact CG1-SD 4.39Å; T363-M381 HydrophobicContact CG2-CE 4.47Å; T363-M381 HydrophobicContact CG2-CG 4.21Å; M381-H383 PolarHBondContact O-N 3.22Å
382	A	37.9	Very low	33.6	Very low	85 Å²	85	100.5 Å²	100.5	70%	0.702	51%	0.507	S	S	*	.			trans	-90.1	83.1	175.6	0	0	0	0	0	110.4	I127	I127-A382 HydrophobicContact CG2-CB 3.64Å
383	H	34.3	Very low	33.2	Very low	115 Å²	115	101.6 Å²	101.6	53%	0.532	50%	0.497	S	S	.	.			trans	-134.6	130.1	167.5	-166.7	-85.2	0	0	0	111.4	M381 D385 F386	M381-H383 PolarHBondContact O-N 3.22Å; H383-D385 VanDerWaalsContact C-N 3.3Å; H383-D385 IonicContact CE1-OD2 3.09Å; H383-D385 PolarHBondContact ND1-N 3.1Å; H383-D385 PolarHBondContact O-N 3.35Å; H383-F386 HydrophobicContact CB-CB 4.11Å; H383-F386 WeakPolarHBondContact O-CB 3.44Å; H383-F386 PolarHBondContact O-N 3.14Å
384	K	33.8	Very low	32.8	Very low	180 Å²	180	104.6 Å²	104.6	78%	0.783	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28	-170.7	59.6	173.8	-173.5	176.9	0	115
385	D	31.1	Very low	32.7	Very low	109 Å²	109	104.9 Å²	104.9	58%	0.583	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	12.2	-176.6	-54.9	-46	0	0	0	112.3	H383	H383-D385 VanDerWaalsContact C-N 3.3Å; H383-D385 IonicContact CE1-OD2 3.09Å; H383-D385 PolarHBondContact ND1-N 3.1Å; H383-D385 PolarHBondContact O-N 3.35Å
386	F	32.6	Very low	32.2	Very low	100 Å²	100	110 Å²	110	44%	0.439	54%	0.539	S	S	.	.			trans	-97.2	116.4	-177.3	-170.2	-95.7	0	0	0	110.7	H383 Y388 V389	H383-F386 HydrophobicContact CB-CB 4.11Å; H383-F386 WeakPolarHBondContact O-CB 3.44Å; H383-F386 PolarHBondContact O-N 3.14Å; F386-Y388 VanDerWaalsContact CZ-O 3.31Å; F386-Y388 WeakPolarHBondContact CZ-O 3.33Å; F386-V389 HydrophobicContact CE1-CG2 3.8Å; F386-V389 HydrophobicContact CZ-CG2 3.77Å
387	N	31.4	Very low	32	Very low	137 Å²	137	112.9 Å²	112.9	73%	0.733	55%	0.552	S	S	*	*			trans	-119	-17	-165.5	-69.8	-44.7	0	0	0	115.2
388	Y	30.1	Very low	31.6	Very low	144 Å²	144	112.7 Å²	112.7	57%	0.565	57%	0.57	S	S	*	*			trans	-161.3	156.3	-173.8	48.7	-105.3	0	0	0	112.3	F386 F390	F386-Y388 VanDerWaalsContact CZ-O 3.31Å; F386-Y388 WeakPolarHBondContact CZ-O 3.33Å; Y388-F390 AromaticContact CD2-CD2 3.44Å; Y388-F390 HydrophobicContact CD2-CD2 3.44Å; Y388-F390 VanDerWaalsContact CD2-CD2 3.44Å; Y388-F390 AromaticContact CD2-CE2 3.13Å; Y388-F390 HydrophobicContact CD2-CE2 3.13Å; Y388-F390 HydrophobicContact CD2-CG 4.49Å; Y388-F390 AromaticContact CD2-CZ 3.95Å; Y388-F390 HydrophobicContact CD2-CZ 3.95Å; Y388-F390 AromaticContact CE2-CD2 3.61Å; Y388-F390 HydrophobicContact CE2-CD2 3.61Å; Y388-F390 AromaticContact CE2-CE2 3.02Å; Y388-F390 HydrophobicContact CE2-CE2 3.02Å; Y388-F390 AromaticContact CE2-CZ 3.97Å; Y388-F390 HydrophobicContact CE2-CZ 3.97Å; Y388-F390 HydrophobicContact CG-CE2 4.09Å; Y388-F390 AromaticContact CZ-CE2 3.82Å
389	V	30.1	Very low	30.8	Very low	93 Å²	93	113.8 Å²	113.8	56%	0.564	59%	0.586	S	S	*	*			trans	-121.2	128.6	170.2	178.4	0	0	0	0	108.1	F386 W391	F386-V389 HydrophobicContact CE1-CG2 3.8Å; F386-V389 HydrophobicContact CZ-CG2 3.77Å; V389-W391 HydrophobicContact CG1-CZ2 4.06Å
390	F	29.5	Very low	30.6	Very low	117 Å²	117	123.6 Å²	123.6	51%	0.513	64%	0.636	S	S	.	*			trans	-104.5	151.8	179.3	-71.9	-84.5	0	0	0	111.6	Q290 Y388	Q290-F390 VanDerWaalsContact CD-CE1 3.46Å; Q290-F390 HydrophobicContact CG-CD1 3.87Å; Q290-F390 HydrophobicContact CG-CE1 3.44Å; Q290-F390 VanDerWaalsContact CG-CE1 3.44Å; Q290-F390 HydrophobicContact CG-CZ 4.48Å; Y388-F390 AromaticContact CD2-CD2 3.44Å; Y388-F390 HydrophobicContact CD2-CD2 3.44Å; Y388-F390 VanDerWaalsContact CD2-CD2 3.44Å; Y388-F390 AromaticContact CD2-CE2 3.13Å; Y388-F390 HydrophobicContact CD2-CE2 3.13Å; Y388-F390 HydrophobicContact CD2-CG 4.49Å; Y388-F390 AromaticContact CD2-CZ 3.95Å; Y388-F390 HydrophobicContact CD2-CZ 3.95Å; Y388-F390 AromaticContact CE2-CD2 3.61Å; Y388-F390 HydrophobicContact CE2-CD2 3.61Å; Y388-F390 AromaticContact CE2-CE2 3.02Å; Y388-F390 HydrophobicContact CE2-CE2 3.02Å; Y388-F390 AromaticContact CE2-CZ 3.97Å; Y388-F390 HydrophobicContact CE2-CZ 3.97Å; Y388-F390 HydrophobicContact CG-CE2 4.09Å; Y388-F390 AromaticContact CZ-CE2 3.82Å
391	W	31.3	Very low	30.2	Very low	125 Å²	125	128.3 Å²	128.3	47%	0.473	66%	0.658	S	S	.	*			trans	-124.1	134.3	177	-55.2	86.7	0	0	0	109.1	F364 V389	F364-W391 AromaticContact CD1-CH2 3.91Å; F364-W391 HydrophobicContact CD1-CH2 3.91Å; F364-W391 HydrophobicContact CD1-CZ3 4.17Å; F364-W391 AromaticContact CD2-CH2 3.59Å; F364-W391 HydrophobicContact CD2-CH2 3.59Å; F364-W391 HydrophobicContact CD2-CZ2 4.27Å; F364-W391 AromaticContact CE1-CH2 3.43Å; F364-W391 HydrophobicContact CE1-CH2 3.43Å; F364-W391 VanDerWaalsContact CE1-CH2 3.43Å; F364-W391 AromaticContact CE1-CZ3 3.46Å; F364-W391 HydrophobicContact CE1-CZ3 3.46Å; F364-W391 VanDerWaalsContact CE1-CZ3 3.46Å; F364-W391 AromaticContact CE2-CH2 3.09Å; F364-W391 HydrophobicContact CE2-CH2 3.09Å; F364-W391 AromaticContact CE2-CZ2 3.75Å; F364-W391 HydrophobicContact CE2-CZ2 3.75Å; F364-W391 AromaticContact CE2-CZ3 3.94Å; F364-W391 HydrophobicContact CE2-CZ3 3.94Å; F364-W391 AromaticContact CG-CH2 3.99Å; F364-W391 HydrophobicContact CG-CH2 3.99Å; F364-W391 AromaticContact CZ-CH2 3.01Å; F364-W391 HydrophobicContact CZ-CH2 3.01Å; F364-W391 HydrophobicContact CZ-CZ2 4.01Å; F364-W391 AromaticContact CZ-CZ3 3.34Å; F364-W391 HydrophobicContact CZ-CZ3 3.34Å; V389-W391 HydrophobicContact CG1-CZ2 4.06Å
392	S	27.9	Very low	29.9	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	67%	0.672	S	S	*	*			trans	-142.2	140.7	173.5	63.6	0	0	0	0	111.6
393	K	26.6	Very low	29.5	Very low	99 Å²	99	133.4 Å²	133.4	43%	0.43	67%	0.671	S	S	.	*			trans	-100.7	122.3	172.7	-168.2	176.1	-171.1	-172.1	0	108.2	Y395	K393-Y395 HydrophobicContact CD-CE2 3.61Å; K393-Y395 VanDerWaalsContact CE-CZ 3.47Å; K393-Y395 WeakPolarHBondContact CE-OH 3.43Å; K393-Y395 HydrophobicContact CG-CD2 4.39Å; K393-Y395 HydrophobicContact CG-CE2 3.86Å; K393-Y395 PolarHBondContact NZ-OH 3.38Å
394	M	22.7	Very low	29.2	Very low	186 Å²	186	134.5 Å²	134.5	92%	0.916	68%	0.679	S	S	*	*			trans	-85.8	131.1	175.1	-95.9	-178.8	141.3	0	0	110.4
395	Y	29.7	Very low	28.9	Very low	96 Å²	96	131.6 Å²	131.6	38%	0.376	67%	0.672	S	S	.	*			trans	-124	121.4	161.6	-72.8	-76.7	0	0	0	109	K393	K393-Y395 HydrophobicContact CD-CE2 3.61Å; K393-Y395 VanDerWaalsContact CE-CZ 3.47Å; K393-Y395 WeakPolarHBondContact CE-OH 3.43Å; K393-Y395 HydrophobicContact CG-CD2 4.39Å; K393-Y395 HydrophobicContact CG-CE2 3.86Å; K393-Y395 PolarHBondContact NZ-OH 3.38Å
396	T	23.3	Very low	28.8	Very low	146 Å²	146	133.1 Å²	133.1	90%	0.896	68%	0.678	S	S	*	*			trans	-85.4	111.3	164.9	17.2	0	0	0	0	108.3
397	F	32.2	Very low	28.5	Very low	145 Å²	145	135.5 Å²	135.5	64%	0.636	70%	0.695	S	S	*	*			trans	-90	114.8	164.7	-78.2	-83.2	0	0	0	109.3
398	G	26.9	Very low	28.3	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	69%	0.693	S	S	*	*			trans	-72.2	139.8	164.3	0	0	0	0	0	110	M400	G398-M400 PolarHBondContact O-N 3.18Å
399	L	25.3	Very low	28.1	Very low	177 Å²	177	134.7 Å²	134.7	93%	0.927	70%	0.703	S	S	*	*			trans	-51.8	128.4	171	-76.2	132.6	0	0	0	111.1
400	M	32.1	Very low	28	Very low	264 Å²	264	138.5 Å²	138.5	100%	1.3	72%	0.716	S	S	*	*			trans	-117.3	0	141.4	-83.9	-166.3	-179.6	0	0	108.9	G398	G398-M400 PolarHBondContact O-N 3.18Å

Retrieved 400 of 400 residues in 218.5 ms (Link to these results)

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