A0A060XVY3_ONCMY Loading...

Tumor necrosis factor-inducible gene 6 protein

AlphaFold DB , UniProt , Accession A0A060XVY3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501817, Length 265 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	33.4	Very low	35.2	Very low	235 Å²	235	155 Å²	155	100%	1.158	82%	0.824	S	S	*	*				0	98.3	0	-73	158.6	81.2	0	0	106.3
2	R	35.4	Very low	35.4	Very low	241 Å²	241	157.7 Å²	157.7	91%	0.909	82%	0.823	S	S	*	*				56.8	116.6	107.1	-68.3	-172.9	171.9	-173.1	-2.2	110.5
3	V	32.3	Very low	35	Very low	117 Å²	117	161.5 Å²	161.5	71%	0.709	83%	0.83	S	S	*	*				-174.7	126.2	76.8	152.7	0	0	0	0	109.8
4	F	33.7	Very low	35	Very low	196 Å²	196	161.5 Å²	161.5	86%	0.86	83%	0.831	S	S	*	*			trans	55.4	155.1	146.5	-65.2	-111.2	0	0	0	122
5	A	36.5	Very low	34.8	Very low	75 Å²	75	162.7 Å²	162.7	62%	0.62	83%	0.828	S	S	*	*			cis	158	145.2	-29.8	0	0	0	0	0	107.4
6	V	38.8	Very low	34.6	Very low	134 Å²	134	163.9 Å²	163.9	81%	0.812	83%	0.829	S	S	*	*			trans	74.9	113.1	159.1	-145.8	0	0	0	0	118.8
7	I	36.6	Very low	34.6	Very low	150 Å²	150	160.2 Å²	160.2	77%	0.769	83%	0.829	S	S	*	*				166.4	100.9	106.4	-69.2	161.7	0	0	0	107.4
8	W	28.5	Very low	34.6	Very low	227 Å²	227	159.9 Å²	159.9	86%	0.86	82%	0.824	S	S	*	*			trans	159.6	84.8	140.3	-112.2	83.1	0	0	0	109.6
9	A	36.3	Very low	34.4	Very low	102 Å²	102	155.8 Å²	155.8	84%	0.843	82%	0.816	S	S	*	*			trans	-139	61.3	169.9	0	0	0	0	0	109.8
10	I	39.9	Very low	34.1	Very low	160 Å²	160	160.7 Å²	160.7	82%	0.821	82%	0.823	S	S	*	*			trans	-141.2	89.3	161	-55.4	178.3	0	0	0	106.1
11	G	35.9	Very low	34.2	Very low	68 Å²	68	156.2 Å²	156.2	70%	0.701	82%	0.817	S	S	*	*			trans	177.2	21.9	-178.8	0	0	0	0	0	115.4
12	F	37	Very low	34.5	Very low	187 Å²	187	153.6 Å²	153.6	82%	0.82	80%	0.8	S	S	*	*	S	Bend	trans	-136.3	25.2	-172.8	-138.6	-93.1	0	0	0	115.4
13	F	30.8	Very low	34.6	Very low	208 Å²	208	153.3 Å²	153.3	91%	0.912	80%	0.798	S	S	*	*	S	Bend	trans	-129.8	32.8	172.3	-98.1	-79.7	0	0	0	113.9
14	L	34.4	Very low	34.6	Very low	161 Å²	161	155.1 Å²	155.1	84%	0.843	80%	0.804	S	S	*	*	S	Bend	trans	-134.1	24.3	173.9	-89.1	170.6	0	0	0	113.9
15	K	32.4	Very low	34.9	Very low	179 Å²	179	149.9 Å²	149.9	78%	0.778	81%	0.805	S	S	*	*	S	Bend	trans	-120.8	-0.1	179.1	-80.4	-168.3	174.7	-174.2	0	116.9
16	E	31.6	Very low	35.4	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	81%	0.805	S	S	*	*	S	Bend	trans	-106.4	-2.7	178.6	-74.8	-176.6	162.1	0	0	115.3	Q18	E16-Q18 VanDerWaalsContact C-N 3.29Å; E16-Q18 PolarHBondContact O-N 3.41Å
17	A	34.1	Very low	35.5	Very low	101 Å²	101	155.1 Å²	155.1	84%	0.835	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	3.5	172.2	0	0	0	0	0	114.3
18	Q	35.2	Very low	35.9	Very low	156 Å²	156	154.4 Å²	154.4	73%	0.729	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	1.8	-176.5	-78.3	-176.9	-42.3	0	0	115	E16	E16-Q18 VanDerWaalsContact C-N 3.29Å; E16-Q18 PolarHBondContact O-N 3.41Å
19	A	31.3	Very low	37.3	Very low	81 Å²	81	148.5 Å²	148.5	67%	0.669	79%	0.786	S	S	*	*	S	Bend	trans	-101.6	0.9	-172.9	0	0	0	0	0	116.2
20	W	29.1	Very low	38.3	Very low	253 Å²	253	147.3 Å²	147.3	96%	0.958	77%	0.772	S	S	*	*	S	Bend	trans	-117.9	10.6	175.9	-96.6	65.4	0	0	0	114.8	F22	W20-F22 PolarHBondContact O-N 3.29Å
21	G	34.7	Very low	39.2	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	76%	0.755	S	S	*	*			trans	-92.5	38.2	176.8	0	0	0	0	0	114.7
22	F	41	Very low	40.2	Very low	180 Å²	180	146.2 Å²	146.2	79%	0.789	74%	0.742	S	S	*	*			trans	-123.9	77.6	177.9	-87	-83.3	0	0	0	111.8	W20	W20-F22 PolarHBondContact O-N 3.29Å
23	R	35.9	Very low	41.3	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	73%	0.727	S	S	*	*	S	Bend	trans	170.2	125.6	143.6	-91.1	157.2	-159.1	-111.5	6.5	106.8
24	N	33	Very low	42.7	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	71%	0.713	S	S	*	*	S	Bend	trans	106.9	42.7	172.8	-48	-23.2	0	0	0	118.2	I26	N24-I26 PolarHBondContact O-N 2.68Å
25	G	40.8	Very low	44	Very low	86 Å²	86	134.3 Å²	134.3	89%	0.887	69%	0.69	S	S	*	*			trans	60.9	48.2	142.6	0	0	0	0	0	118.3
26	I	45.6	Very low	45.6	Very low	122 Å²	122	126 Å²	126	63%	0.626	66%	0.655	S	S	*	*			trans	-104.3	99.4	170.3	-56	175.1	0	0	0	108.8	N24 N29	N24-I26 PolarHBondContact O-N 2.68Å; I26-N29 HydrophobicContact CG2-CB 4.37Å; I26-N29 WeakPolarHBondContact CG2-ND2 3.47Å
27	F	41.8	Very low	47.3	Very low	198 Å²	198	119.7 Å²	119.7	87%	0.868	63%	0.634	S	S	*	*			trans	-116.2	135.7	152.9	-95	-96	0	0	0	105.6
28	H	44.4	Very low	49.6	Very low	135 Å²	135	115.7 Å²	115.7	63%	0.625	60%	0.603	S	S	*	*			trans	98.7	53.5	-175.6	-56	-77.6	0	0	0	118
29	N	57.6	Low	52.2	Low	102 Å²	102	108.8 Å²	108.8	55%	0.545	57%	0.571	S	S	.	*			trans	-102.6	-26.3	172.6	-93.2	4.8	0	0	0	116	I26 L33	I26-N29 HydrophobicContact CG2-CB 4.37Å; I26-N29 WeakPolarHBondContact CG2-ND2 3.47Å; N29-L33 VanDerWaalsContact O-CD1 3.28Å; N29-L33 WeakPolarHBondContact O-CD1 3.39Å; N29-L33 VanDerWaalsContact O-CG 3.26Å; N29-L33 WeakPolarHBondContact O-CG 3.44Å
30	S	57.4	Low	54.8	Low	77 Å²	77	105.1 Å²	105.1	54%	0.538	54%	0.54	S	S	.	.	H	α-helix	trans	-79.7	-48	-175.5	54.6	0	0	0	0	113.8	W32 L33 E34	S30-W32 VanDerWaalsContact C-N 3.3Å; S30-W32 PolarHBondContact O-N 3.43Å; S30-L33 PolarHBondContact O-N 2.58Å; S30-E34 WeakPolarHBondContact O-CG 3.35Å; S30-E34 PolarHBondContact O-N 3.02Å
31	I	60.1	Low	57.8	Low	93 Å²	93	93.3 Å²	93.3	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-35.6	-176.4	-63	169.5	0	0	0	111.7	Q35	I31-Q35 VanDerWaalsContact O-CG 3.3Å; I31-Q35 WeakPolarHBondContact O-CG 3.44Å; I31-Q35 PolarHBondContact O-N 3.38Å
32	W	56.5	Low	60.3	Low	112 Å²	112	91 Å²	91	42%	0.424	47%	0.466	S	S	.	.	H	α-helix	trans	-70.7	-39.8	177.8	-75.1	92.9	0	0	0	112.7	S30 E34 Q35 A36 A75	S30-W32 VanDerWaalsContact C-N 3.3Å; S30-W32 PolarHBondContact O-N 3.43Å; W32-E34 VanDerWaalsContact C-N 3.33Å; W32-Q35 PolarHBondContact O-N 3.08Å; W32-A36 VanDerWaalsContact O-CB 3.3Å; W32-A36 WeakPolarHBondContact O-CB 3.48Å; W32-A36 PolarHBondContact O-N 2.88Å; W32-A75 HydrophobicContact CE3-CB 4.05Å; W32-A75 HydrophobicContact CZ3-CB 4.37Å
33	L	59.3	Low	62.6	Low	96 Å²	96	83.4 Å²	83.4	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-38.7	175.2	-73.4	170	0	0	0	111.2	N29 S30 A36 A37 I79	N29-L33 VanDerWaalsContact O-CD1 3.28Å; N29-L33 WeakPolarHBondContact O-CD1 3.39Å; N29-L33 VanDerWaalsContact O-CG 3.26Å; N29-L33 WeakPolarHBondContact O-CG 3.44Å; S30-L33 PolarHBondContact O-N 2.58Å; L33-A36 PolarHBondContact O-N 2.86Å; L33-A37 WeakPolarHBondContact O-CB 3.36Å; L33-A37 PolarHBondContact O-N 3.42Å; L33-I79 HydrophobicContact CD2-CG2 4.1Å
34	E	60.7	Low	65	Low	132 Å²	132	73.6 Å²	73.6	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-67	-35.6	175.5	-72.4	175.2	-172.7	0	0	113.2	S30 W32	S30-E34 WeakPolarHBondContact O-CG 3.35Å; S30-E34 PolarHBondContact O-N 3.02Å; W32-E34 VanDerWaalsContact C-N 3.33Å
35	Q	61.3	Low	66.9	Low	78 Å²	78	74.2 Å²	74.2	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-74.5	-29.5	176.8	-74.7	175.9	-17.9	0	0	113	I31 W32	I31-Q35 VanDerWaalsContact O-CG 3.3Å; I31-Q35 WeakPolarHBondContact O-CG 3.44Å; I31-Q35 PolarHBondContact O-N 3.38Å; W32-Q35 PolarHBondContact O-N 3.08Å
36	A	65.9	Low	68.8	Low	4 Å²	4	78.5 Å²	78.5	3%	0.033	39%	0.385	C	S	.	.	H	α-helix	trans	-82.8	-35.4	177.8	0	0	0	0	0	112.7	W32 L33 G38 V39 A75 I79	W32-A36 VanDerWaalsContact O-CB 3.3Å; W32-A36 WeakPolarHBondContact O-CB 3.48Å; W32-A36 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 2.86Å; A36-G38 PolarHBondContact O-N 2.66Å; A36-V39 PolarHBondContact O-N 2.71Å; A36-A75 HydrophobicContact CB-CB 3.86Å; A36-I79 HydrophobicContact CB-CD1 3.46Å; A36-I79 VanDerWaalsContact CB-CD1 3.46Å; A36-I79 HydrophobicContact CB-CG1 3.87Å; A36-I79 HydrophobicContact CB-CG2 4.16Å
37	A	68	Low	70.5	Confident	51 Å²	51	74.1 Å²	74.1	42%	0.421	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	117.6	178.4	0	0	0	0	0	110.3	L33 Y130	L33-A37 WeakPolarHBondContact O-CB 3.36Å; L33-A37 PolarHBondContact O-N 3.42Å; A37-Y130 WeakPolarHBondContact O-CE2 3.26Å
38	G	82.1	Confident	72.8	Confident	17 Å²	17	67.4 Å²	67.4	18%	0.175	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	9.3	177.1	0	0	0	0	0	115.6	A36 Y40 Y130 N131	A36-G38 PolarHBondContact O-N 2.66Å; G38-Y40 VanDerWaalsContact O-CD1 3.29Å; G38-Y40 WeakPolarHBondContact O-CD1 3.49Å; G38-Y130 CarbonylContact O-C 3.6Å; G38-Y130 VanDerWaalsContact O-CA 3.27Å; G38-Y130 WeakPolarHBondContact O-CA 3.37Å; G38-N131 VanDerWaalsContact CA-O 3.25Å; G38-N131 WeakPolarHBondContact CA-O 3.37Å; G38-N131 PolarHBondContact O-N 2.83Å
39	V	89.5	Confident	75.1	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.4	164.6	178.7	0	0	0	0	110.4	A36 A68 Q72 L73 A76 L81 C129 Y130	A36-V39 PolarHBondContact O-N 2.71Å; V39-A68 HydrophobicContact CG1-CB 3.99Å; V39-A68 HydrophobicContact CG2-CB 4.44Å; V39-Q72 HydrophobicContact CG2-CB 3.65Å; V39-L73 HydrophobicContact CG1-CD1 3.82Å; V39-A76 HydrophobicContact CB-CB 3.55Å; V39-A76 HydrophobicContact CG1-CB 3.83Å; V39-A76 HydrophobicContact CG2-CB 4Å; V39-L81 HydrophobicContact CG1-CD2 3.88Å; V39-C129 VanDerWaalsContact CA-O 3.32Å; V39-C129 WeakPolarHBondContact CA-O 3.46Å; V39-Y130 HydrophobicContact CG2-CD2 3.64Å; V39-Y130 HydrophobicContact CG2-CE2 4.37Å
40	Y	87.2	Confident	76.9	Confident	3 Å²	3	63.3 Å²	63.3	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.7	-175	62.6	-90.7	0	0	0	114.1	G38 R42 E63 Y128 C129 N131 E136	G38-Y40 VanDerWaalsContact O-CD1 3.29Å; G38-Y40 WeakPolarHBondContact O-CD1 3.49Å; Y40-R42 HydrophobicContact CD2-CG 3.74Å; Y40-R42 HydrophobicContact CE2-CG 3.52Å; Y40-E63 WeakPolarHBondContact CE2-OE2 3.27Å; Y40-E63 WeakPolarHBondContact OH-CB 3.42Å; Y40-E63 PolarHBondContact OH-OE2 2.78Å; Y40-Y128 CarbonylContact O-C 3.58Å; Y40-Y128 VanDerWaalsContact O-CA 3.23Å; Y40-Y128 WeakPolarHBondContact O-CA 3.39Å; Y40-C129 HydrophobicContact CD1-CB 4.19Å; Y40-C129 HydrophobicContact CD2-CB 4.01Å; Y40-C129 HydrophobicContact CE1-CB 3.65Å; Y40-C129 HydrophobicContact CE2-CB 3.48Å; Y40-C129 VanDerWaalsContact CE2-CB 3.48Å; Y40-C129 HydrophobicContact CG-CB 4.34Å; Y40-C129 PolarHBondContact N-O 3.26Å; Y40-C129 PolarHBondContact O-N 3.02Å; Y40-N131 HydrophobicContact CE1-CB 4.14Å; Y40-E136 WeakPolarHBondContact CB-OE1 3.35Å; Y40-E136 WeakPolarHBondContact CB-OE2 3.09Å; Y40-E136 HydrophobicContact CD1-CG 4.27Å; Y40-E136 WeakPolarHBondContact CD2-OE1 3.38Å; Y40-E136 HydrophobicContact CG-CG 4.31Å
41	H	90.8	Very high	78.8	Confident	5 Å²	5	60 Å²	60	2%	0.023	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.7	178	169.8	-110.9	0	0	0	110.6	E43 V83 D126 V127 Y128	H41-E43 WeakPolarHBondContact CE1-CG 3.48Å; H41-E43 IonicContact CE1-OE1 2.82Å; H41-V83 HydrophobicContact CB-CG1 4.12Å; H41-V83 HydrophobicContact CB-CG2 3.94Å; H41-D126 IonicContact CE1-OD2 3.6Å; H41-D126 PolarHBondContact CE1-OD2 3.42Å; H41-D126 VanDerWaalsContact NE2-CB 3.33Å; H41-D126 WeakPolarHBondContact NE2-CB 3.47Å; H41-D126 IonicContact NE2-OD2 3.31Å; H41-D126 PolarHBondContact NE2-OD2 3.02Å; H41-V127 WeakPolarHBondContact CA-O 3.24Å; H41-Y128 HydrophobicContact CB-CD1 4.06Å; H41-Y128 HydrophobicContact CB-CE1 3.72Å
42	R	87.8	Confident	80.6	Confident	21 Å²	21	56.6 Å²	56.6	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132	171.4	-74	-67.3	-173.9	-100.6	-10.3	111	Y40 V59 E63 D126 V127 E136 I162	Y40-R42 HydrophobicContact CD2-CG 3.74Å; Y40-R42 HydrophobicContact CE2-CG 3.52Å; R42-V59 HydrophobicContact CB-CG1 4.42Å; R42-E63 IonicContact CZ-OE2 2.85Å; R42-E63 IonicContact NE-OE1 2.7Å; R42-E63 PolarHBondContact NE-OE1 3.37Å; R42-E63 IonicContact NE-OE2 3.96Å; R42-E63 PolarHBondContact NE-OE2 2.78Å; R42-E63 IonicContact NH2-OE2 3.02Å; R42-E63 PolarHBondContact NH2-OE2 3.38Å; R42-D126 WeakPolarHBondContact O-CB 3.5Å; R42-V127 HydrophobicContact CB-CG1 3.69Å; R42-V127 PolarHBondContact N-O 3.49Å; R42-V127 PolarHBondContact O-N 3.3Å; R42-E136 IonicContact CZ-OE1 3.19Å; R42-E136 VanDerWaalsContact CZ-OE1 3.24Å; R42-E136 IonicContact NH1-OE1 3.01Å; R42-E136 PolarHBondContact NH1-OE1 3.37Å; R42-E136 IonicContact NH2-OE1 3.3Å; R42-E136 PolarHBondContact NH2-OE1 3.06Å; R42-I162 PolarHBondContact NH1-O 2.87Å; R42-I162 VanDerWaalsContact NH1-O 3.13Å
43	E	89.4	Confident	82.5	Confident	20 Å²	20	53.1 Å²	53.1	9%	0.093	26%	0.261	C	S	.	.			trans	-89.5	165	166.9	-56.3	-177.6	178.5	0	0	109.3	H41 R48 Y164 K230	H41-E43 WeakPolarHBondContact CE1-CG 3.48Å; H41-E43 IonicContact CE1-OE1 2.82Å; E43-R48 VanDerWaalsContact CD-CG 3.5Å; E43-R48 HydrophobicContact CG-CG 4.1Å; E43-R48 IonicContact OE1-CZ 3.61Å; E43-R48 VanDerWaalsContact OE1-CZ 3.31Å; E43-R48 IonicContact OE1-NE 2.78Å; E43-R48 PolarHBondContact OE1-NE 2.72Å; E43-R48 IonicContact OE1-NH2 3.07Å; E43-R48 PolarHBondContact OE1-NH2 2.77Å; E43-R48 IonicContact OE2-NE 2.8Å; E43-Y164 PolarHBondContact OE1-OH 3.17Å; E43-K230 VanDerWaalsContact CD-NZ 3.34Å; E43-K230 IonicContact OE1-NZ 3.16Å; E43-K230 PolarHBondContact OE1-NZ 2.97Å; E43-K230 IonicContact OE2-NZ 3.24Å; E43-K230 PolarHBondContact OE2-NZ 3.17Å; E43-K230 VanDerWaalsContact OE2-NZ 3.09Å
44	S	85.9	Confident	84.3	Confident	29 Å²	29	57 Å²	57	20%	0.203	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-77.9	157.1	166.8	-168.6	0	0	0	0	110.2	K46 G47	S44-K46 PolarHBondContact O-N 2.85Å; S44-K46 VanDerWaalsContact O-N 3.1Å; S44-G47 WeakPolarHBondContact CB-O 3.46Å; S44-G47 PolarHBondContact N-O 3.36Å; S44-G47 CarbonylContact O-C 3.52Å; S44-G47 WeakPolarHBondContact O-CA 3.41Å; S44-G47 PolarHBondContact O-N 2.95Å
45	R	73.3	Confident	86	Confident	166 Å²	166	54.7 Å²	54.7	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.3	170.3	-57	-172.1	-161.6	-171.4	4.6	113.8	G47 E160	R45-G47 PolarHBondContact O-N 3.41Å; R45-E160 IonicContact CZ-OE1 3.64Å; R45-E160 IonicContact CZ-OE2 3.76Å; R45-E160 IonicContact NH1-OE1 3.29Å; R45-E160 PolarHBondContact NH1-OE1 3.46Å; R45-E160 IonicContact NH2-OE1 3.89Å; R45-E160 PolarHBondContact NH2-OE1 3.17Å; R45-E160 IonicContact NH2-OE2 2.62Å; R45-E160 PolarHBondContact NH2-OE2 3.44Å
46	K	79.5	Confident	87.7	Confident	177 Å²	177	51 Å²	51	77%	0.77	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	9.8	174.2	-63.1	-176	-178.9	-176.5	0	112.8	S44 Q50	S44-K46 PolarHBondContact O-N 2.85Å; S44-K46 VanDerWaalsContact O-N 3.1Å; K46-Q50 HydrophobicContact CB-CB 4.41Å; K46-Q50 HydrophobicContact CB-CG 3.98Å
47	G	82.1	Confident	89.2	Confident	29 Å²	29	56.9 Å²	56.9	30%	0.299	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	92.7	-169.7	-173.9	0	0	0	0	0	113.7	S44 R45 Q50	S44-G47 WeakPolarHBondContact CB-O 3.46Å; S44-G47 PolarHBondContact N-O 3.36Å; S44-G47 CarbonylContact O-C 3.52Å; S44-G47 WeakPolarHBondContact O-CA 3.41Å; S44-G47 PolarHBondContact O-N 2.95Å; R45-G47 PolarHBondContact O-N 3.41Å; G47-Q50 WeakPolarHBondContact O-CG 3.45Å
48	R	89.4	Confident	90.5	Very high	58 Å²	58	57.2 Å²	57.2	22%	0.219	27%	0.273	C	S	.	.	S	Bend	trans	-61	146.5	-177.7	-71	-177.4	174.8	-167.2	-16.8	113.4	E43 Q50 D126 D203	E43-R48 VanDerWaalsContact CD-CG 3.5Å; E43-R48 HydrophobicContact CG-CG 4.1Å; E43-R48 IonicContact OE1-CZ 3.61Å; E43-R48 VanDerWaalsContact OE1-CZ 3.31Å; E43-R48 IonicContact OE1-NE 2.78Å; E43-R48 PolarHBondContact OE1-NE 2.72Å; E43-R48 IonicContact OE1-NH2 3.07Å; E43-R48 PolarHBondContact OE1-NH2 2.77Å; E43-R48 IonicContact OE2-NE 2.8Å; R48-Q50 WeakPolarHBondContact O-CG 3.48Å; R48-Q50 PolarHBondContact O-N 3.04Å; R48-Q50 PolarHBondContact O-NE2 3.4Å; R48-Q50 VanDerWaalsContact O-NE2 3.16Å; R48-D126 WeakPolarHBondContact CA-OD1 3.47Å; R48-D203 IonicContact CZ-OD1 3.27Å; R48-D203 IonicContact CZ-OD2 3.91Å; R48-D203 IonicContact NH1-OD1 3.04Å; R48-D203 PolarHBondContact NH1-OD1 1.98Å; R48-D203 IonicContact NH2-OD1 2.9Å; R48-D203 PolarHBondContact NH2-OD1 3.35Å; R48-D203 VanDerWaalsContact NH2-OD1 3.07Å; R48-D203 IonicContact NH2-OD2 3.48Å; R48-D203 PolarHBondContact NH2-OD2 2.9Å
49	Y	94	Very high	91	Very high	86 Å²	86	58.3 Å²	58.3	34%	0.337	28%	0.276	S	S	.	.	S	Bend	trans	59.5	46.8	169.2	-45.5	-46.4	0	0	0	113.4	A85 A86 R124 W125 D126	Y49-A85 HydrophobicContact CE1-CB 4.04Å; Y49-A85 VanDerWaalsContact OH-CA 3.28Å; Y49-A85 WeakPolarHBondContact OH-CA 3.21Å; Y49-A86 WeakPolarHBondContact CE1-O 3.29Å; Y49-R124 WeakPolarHBondContact O-CB 3.34Å; Y49-W125 HydrophobicContact CD1-CE3 4.37Å; Y49-D126 PolarHBondContact N-OD1 3.2Å
50	Q	95.6	Very high	91.1	Very high	64 Å²	64	57.8 Å²	57.8	30%	0.299	27%	0.273	S	S	.	.			trans	-116.3	-3.3	-179.5	-56.5	-59.1	-32.3	0	0	114.3	K46 G47 R48 R124	K46-Q50 HydrophobicContact CB-CB 4.41Å; K46-Q50 HydrophobicContact CB-CG 3.98Å; G47-Q50 WeakPolarHBondContact O-CG 3.45Å; R48-Q50 WeakPolarHBondContact O-CG 3.48Å; R48-Q50 PolarHBondContact O-N 3.04Å; R48-Q50 PolarHBondContact O-NE2 3.4Å; R48-Q50 VanDerWaalsContact O-NE2 3.16Å; Q50-R124 PolarHBondContact O-NH1 3.31Å
51	L	96.3	Very high	91.5	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.042	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-99.6	123.9	-176.2	-55.2	172.4	0	0	0	111.3	E55 A56 V59 W88 R124 W125 V127	L51-E55 HydrophobicContact CB-CB 4.41Å; L51-E55 HydrophobicContact CD2-CB 4.17Å; L51-A56 HydrophobicContact CB-CB 4.16Å; L51-V59 HydrophobicContact CD1-CG2 4.15Å; L51-V59 HydrophobicContact CD2-CG2 4.07Å; L51-W88 PolarHBondContact O-NE1 2.75Å; L51-R124 WeakPolarHBondContact O-CA 3.41Å; L51-W125 WeakPolarHBondContact CB-O 3.42Å; L51-W125 PolarHBondContact N-O 3Å; L51-W125 PolarHBondContact O-N 2.98Å; L51-V127 HydrophobicContact CD1-CB 4.21Å; L51-V127 HydrophobicContact CD1-CG1 3.75Å
52	T	97.6	Very high	91.3	Very high	22 Å²	22	73.5 Å²	73.5	14%	0.135	34%	0.337	C	S	.	.			trans	-68.5	164.4	161.9	63.2	0	0	0	0	110.8	K54 E55 A56 E123 R124	T52-K54 PolarHBondContact O-N 3.11Å; T52-K54 VanDerWaalsContact O-N 3.16Å; T52-E55 VanDerWaalsContact CB-OE2 3.3Å; T52-E55 WeakPolarHBondContact CB-OE2 3.13Å; T52-E55 VanDerWaalsContact CG2-OE2 3.28Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.29Å; T52-E55 PolarHBondContact N-OE2 2.91Å; T52-E55 PolarHBondContact O-N 2.81Å; T52-E55 VanDerWaalsContact O-N 3.08Å; T52-E55 VanDerWaalsContact OG1-CG 3.31Å; T52-E55 WeakPolarHBondContact OG1-CG 3.21Å; T52-E55 PolarHBondContact OG1-N 2.8Å; T52-E55 PolarHBondContact OG1-OE2 2.93Å; T52-A56 VanDerWaalsContact O-CB 3.31Å; T52-A56 WeakPolarHBondContact O-CB 3.25Å; T52-A56 PolarHBondContact O-N 3.46Å; T52-E123 WeakPolarHBondContact CA-O 3.41Å; T52-R124 HydrophobicContact CG2-CG 4.37Å
53	Y	97.1	Very high	91.2	Very high	39 Å²	39	75.1 Å²	75.1	15%	0.153	35%	0.346	C	S	.	.	H	α-helix	trans	-57.7	-34.7	178.7	-177.5	-109.1	0	0	0	112.9	K57 L67 W88 G92 K121	Y53-K57 PolarHBondContact O-N 2.81Å; Y53-L67 HydrophobicContact CD2-CD1 4.33Å; Y53-L67 HydrophobicContact CE2-CD1 3.45Å; Y53-L67 VanDerWaalsContact CE2-CD1 3.45Å; Y53-W88 HydrophobicContact CD2-CB 4.35Å; Y53-W88 AromaticContact CD2-CD2 3.8Å; Y53-W88 HydrophobicContact CD2-CD2 3.8Å; Y53-W88 AromaticContact CD2-CE3 3.52Å; Y53-W88 HydrophobicContact CD2-CE3 3.52Å; Y53-W88 HydrophobicContact CD2-CG 4.18Å; Y53-W88 HydrophobicContact CD2-CZ3 4.06Å; Y53-W88 HydrophobicContact CE2-CE3 4.35Å; Y53-W88 HydrophobicContact CG-CD2 4.44Å; Y53-W88 HydrophobicContact CG-CE3 4.27Å; Y53-W88 HydrophobicContact CG-CZ3 4.46Å; Y53-G92 VanDerWaalsContact CE2-N 3.33Å; Y53-G92 PolarHBondContact OH-N 2.96Å; Y53-K121 HydrophobicContact CD1-CD 3.97Å; Y53-K121 HydrophobicContact CD1-CG 4.46Å; Y53-K121 PolarHBondContact N-O 2.86Å
54	K	97.3	Very high	91.2	Very high	178 Å²	178	77 Å²	77	77%	0.774	37%	0.37	S	S	*	.	H	α-helix	trans	-68.6	-43.8	177.4	-175.7	-176.3	175.1	-172.4	0	111.3	T52 A58	T52-K54 PolarHBondContact O-N 3.11Å; T52-K54 VanDerWaalsContact O-N 3.16Å; K54-A58 PolarHBondContact O-N 3.44Å; K54-A58 VanDerWaalsContact O-N 3.17Å
55	E	96.9	Very high	91.5	Very high	82 Å²	82	76.1 Å²	76.1	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-68.9	-44.4	179	-69.4	160.1	153.1	0	0	111	L51 T52 K57 A58 V59	L51-E55 HydrophobicContact CB-CB 4.41Å; L51-E55 HydrophobicContact CD2-CB 4.17Å; T52-E55 VanDerWaalsContact CB-OE2 3.3Å; T52-E55 WeakPolarHBondContact CB-OE2 3.13Å; T52-E55 VanDerWaalsContact CG2-OE2 3.28Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.29Å; T52-E55 PolarHBondContact N-OE2 2.91Å; T52-E55 PolarHBondContact O-N 2.81Å; T52-E55 VanDerWaalsContact O-N 3.08Å; T52-E55 VanDerWaalsContact OG1-CG 3.31Å; T52-E55 WeakPolarHBondContact OG1-CG 3.21Å; T52-E55 PolarHBondContact OG1-N 2.8Å; T52-E55 PolarHBondContact OG1-OE2 2.93Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.02Å; E55-A58 CarbonylContact O-C 3.56Å; E55-A58 WeakPolarHBondContact O-CA 3.4Å; E55-A58 WeakPolarHBondContact O-CB 3.36Å; E55-A58 PolarHBondContact O-N 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3.49Å; E55-V59 PolarHBondContact O-N 2.99Å
56	A	96.9	Very high	92.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-53.4	-46.2	174.4	0	0	0	0	0	112.1	L51 T52 A58 V59 C60 L67 W88 V127	L51-A56 HydrophobicContact CB-CB 4.16Å; T52-A56 VanDerWaalsContact O-CB 3.31Å; T52-A56 WeakPolarHBondContact O-CB 3.25Å; T52-A56 PolarHBondContact O-N 3.46Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.82Å; A56-V59 PolarHBondContact O-N 3.46Å; A56-C60 PolarHBondContact O-N 3.13Å; A56-L67 HydrophobicContact CB-CD2 4.46Å; A56-W88 HydrophobicContact CB-CB 3.94Å; A56-W88 HydrophobicContact CB-CG 3.99Å; A56-V127 HydrophobicContact CB-CB 3.82Å; A56-V127 HydrophobicContact CB-CG2 3.69Å
57	K	96.8	Very high	93.3	Very high	129 Å²	129	64.6 Å²	64.6	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-34.9	175	-171.3	176.3	179.1	179.7	0	112.6	Y53 E55 K61 L67	Y53-K57 PolarHBondContact O-N 2.81Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.02Å; K57-K61 WeakPolarHBondContact O-CB 3.26Å; K57-K61 PolarHBondContact O-N 2.78Å; K57-L67 HydrophobicContact CB-CD1 4.26Å; K57-L67 HydrophobicContact CG-CD1 4.48Å
58	A	95.3	Very high	94	Very high	58 Å²	58	63.2 Å²	63.2	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-70.1	-40.1	177.7	0	0	0	0	0	111.7	K54 E55 A56 K61 Y62	K54-A58 PolarHBondContact O-N 3.44Å; K54-A58 VanDerWaalsContact O-N 3.17Å; E55-A58 CarbonylContact O-C 3.56Å; E55-A58 WeakPolarHBondContact O-CA 3.4Å; E55-A58 WeakPolarHBondContact O-CB 3.36Å; E55-A58 PolarHBondContact O-N 3.31Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.82Å; A58-K61 PolarHBondContact O-N 3.23Å; A58-Y62 WeakPolarHBondContact O-CB 3.46Å; A58-Y62 PolarHBondContact O-N 3.15Å
59	V	92.1	Very high	94.3	Very high	39 Å²	39	62.7 Å²	62.7	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-56.4	174.9	170.5	0	0	0	0	110.5	R42 L51 E55 A56 K61 Y62 E63 V127	R42-V59 HydrophobicContact CB-CG1 4.42Å; L51-V59 HydrophobicContact CD1-CG2 4.15Å; L51-V59 HydrophobicContact CD2-CG2 4.07Å; E55-V59 WeakPolarHBondContact O-CG2 3.49Å; E55-V59 PolarHBondContact O-N 2.99Å; A56-V59 PolarHBondContact O-N 3.46Å; V59-K61 PolarHBondContact O-N 2.94Å; V59-Y62 WeakPolarHBondContact O-CB 3.2Å; V59-Y62 PolarHBondContact O-N 3.31Å; V59-Y62 VanDerWaalsContact O-N 3.08Å; V59-E63 PolarHBondContact O-N 2.53Å; V59-V127 HydrophobicContact CG1-CG1 4.28Å
60	C	92.8	Very high	94.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-36.1	179.6	-55.6	0	0	0	0	112.3	A56 E63 G65 V127 C129	A56-C60 PolarHBondContact O-N 3.13Å; C60-E63 PolarHBondContact O-N 2.89Å; C60-G65 CarbonylContact C-O 3.5Å; C60-G65 CarbonylContact O-C 3.55Å; C60-G65 VanDerWaalsContact O-C 3.24Å; C60-G65 VanDerWaalsContact O-CA 3.24Å; C60-G65 WeakPolarHBondContact O-CA 3.38Å; C60-G65 PolarHBondContact O-N 3.14Å; C60-V127 WeakPolarHBondContact SG-CG2 3.4Å; C60-C129 WeakPolarHBondContact CA-SG 3.34Å; C60-C129 HydrophobicContact CB-CB 3.72Å; C60-C129 WeakPolarHBondContact CB-SG 3.39Å; C60-C129 WeakPolarHBondContact SG-CA 3.32Å; C60-C129 WeakPolarHBondContact SG-CB 3.35Å; C60-C129 CovalentContact SG-SG 2.03Å; C60-C129 PolarHBondContact SG-SG 3.17Å
61	K	94	Very high	94.2	Very high	164 Å²	164	64.4 Å²	64.4	71%	0.713	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-38.7	178.6	-173.4	-178	177.7	-171.5	0	112.3	K57 A58 V59 E63 G64 G65	K57-K61 WeakPolarHBondContact O-CB 3.26Å; K57-K61 PolarHBondContact O-N 2.78Å; A58-K61 PolarHBondContact O-N 3.23Å; V59-K61 PolarHBondContact O-N 2.94Å; K61-E63 VanDerWaalsContact C-N 3.25Å; K61-E63 PolarHBondContact O-N 3.02Å; K61-G64 PolarHBondContact O-N 2.8Å; K61-G64 VanDerWaalsContact O-N 3.11Å; K61-G65 WeakPolarHBondContact CA-O 3.37Å
62	Y	88.3	Confident	94.1	Very high	174 Å²	174	65.4 Å²	65.4	68%	0.682	33%	0.334	S	S	*	.	H	α-helix	trans	-60.4	-39.5	176.7	178.4	-101.2	0	0	0	110.8	A58 V59 G64	A58-Y62 WeakPolarHBondContact O-CB 3.46Å; A58-Y62 PolarHBondContact O-N 3.15Å; V59-Y62 WeakPolarHBondContact O-CB 3.2Å; V59-Y62 PolarHBondContact O-N 3.31Å; V59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-G64 PolarHBondContact O-N 2.61Å
63	E	84.4	Confident	93.9	Very high	56 Å²	56	64.4 Å²	64.4	26%	0.262	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	16.6	175.5	-61.4	-175.6	-162.9	0	0	114.1	Y40 R42 V59 C60 K61 G65 N131	Y40-E63 WeakPolarHBondContact CE2-OE2 3.27Å; Y40-E63 WeakPolarHBondContact OH-CB 3.42Å; Y40-E63 PolarHBondContact OH-OE2 2.78Å; R42-E63 IonicContact CZ-OE2 2.85Å; R42-E63 IonicContact NE-OE1 2.7Å; R42-E63 PolarHBondContact NE-OE1 3.37Å; R42-E63 IonicContact NE-OE2 3.96Å; R42-E63 PolarHBondContact NE-OE2 2.78Å; R42-E63 IonicContact NH2-OE2 3.02Å; R42-E63 PolarHBondContact NH2-OE2 3.38Å; V59-E63 PolarHBondContact O-N 2.53Å; C60-E63 PolarHBondContact O-N 2.89Å; K61-E63 VanDerWaalsContact C-N 3.25Å; K61-E63 PolarHBondContact O-N 3.02Å; E63-G65 PolarHBondContact O-N 2.81Å; E63-N131 PolarHBondContact O-ND2 2.01Å
64	G	89.1	Confident	93.7	Very high	58 Å²	58	64 Å²	64	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	12.4	177.2	0	0	0	0	0	115.1	K61 Y62	K61-G64 PolarHBondContact O-N 2.8Å; K61-G64 VanDerWaalsContact O-N 3.11Å; Y62-G64 PolarHBondContact O-N 2.61Å
65	G	92.1	Very high	93.4	Very high	11 Å²	11	55.6 Å²	55.6	11%	0.113	29%	0.291	C	S	.	.			trans	-114.3	-164.8	-178.7	0	0	0	0	0	114.8	C60 K61 E63 Y130	C60-G65 CarbonylContact C-O 3.5Å; C60-G65 CarbonylContact O-C 3.55Å; C60-G65 VanDerWaalsContact O-C 3.24Å; C60-G65 VanDerWaalsContact O-CA 3.24Å; C60-G65 WeakPolarHBondContact O-CA 3.38Å; C60-G65 PolarHBondContact O-N 3.14Å; K61-G65 WeakPolarHBondContact CA-O 3.37Å; E63-G65 PolarHBondContact O-N 2.81Å; G65-Y130 CarbonylContact C-O 3.56Å; G65-Y130 WeakPolarHBondContact CA-O 3.5Å
66	T	95.6	Very high	93	Very high	87 Å²	87	51.9 Å²	51.9	53%	0.534	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	171.9	173.3	56.7	0	0	0	0	110.3	A68 C129 Y130	T66-A68 PolarHBondContact O-N 3Å; T66-C129 CarbonylContact O-C 3.51Å; T66-C129 VanDerWaalsContact O-CA 3.31Å; T66-C129 WeakPolarHBondContact O-CA 3.44Å; T66-Y130 PolarHBondContact N-O 2.87Å; T66-Y130 PolarHBondContact O-N 3.03Å
67	L	96.9	Very high	92.7	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	135.9	165.7	-67.5	171.3	0	0	0	109.5	Y53 A56 K57 W88 V127	Y53-L67 HydrophobicContact CD2-CD1 4.33Å; Y53-L67 HydrophobicContact CE2-CD1 3.45Å; Y53-L67 VanDerWaalsContact CE2-CD1 3.45Å; A56-L67 HydrophobicContact CB-CD2 4.46Å; K57-L67 HydrophobicContact CB-CD1 4.26Å; K57-L67 HydrophobicContact CG-CD1 4.48Å; L67-W88 HydrophobicContact CD2-CB 4.5Å; L67-V127 HydrophobicContact CD2-CG2 3.23Å
68	A	96.3	Very high	92.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.4	141.6	175.9	0	0	0	0	0	110.6	V39 T66 Y89 D90 Y128	V39-A68 HydrophobicContact CG1-CB 3.99Å; V39-A68 HydrophobicContact CG2-CB 4.44Å; T66-A68 PolarHBondContact O-N 3Å; A68-Y89 WeakPolarHBondContact O-CB 3.46Å; A68-D90 WeakPolarHBondContact O-CB 3.41Å; A68-D90 PolarHBondContact O-N 3.47Å; A68-Y128 PolarHBondContact N-O 3.06Å
69	T	96	Very high	91.6	Very high	47 Å²	47	53.8 Å²	53.8	29%	0.288	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-76.8	161.5	169	71.6	0	0	0	0	111	D71 Q72 L73 D90	T69-D71 VanDerWaalsContact C-N 3.27Å; T69-D71 PolarHBondContact O-N 2.98Å; T69-Q72 PolarHBondContact O-N 3.4Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.39Å; T69-Q72 VanDerWaalsContact OG1-CG 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 2.91Å; T69-Q72 PolarHBondContact OG1-N 3.13Å; T69-Q72 PolarHBondContact OG1-OE1 2.84Å; T69-L73 WeakPolarHBondContact O-CB 3.24Å; T69-L73 PolarHBondContact O-N 2.83Å; T69-D90 WeakPolarHBondContact CA-OD1 3.33Å; T69-D90 HydrophobicContact CG2-CB 4.42Å
70	Y	94.4	Very high	91.1	Very high	78 Å²	78	52.2 Å²	52.2	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-52.6	-45.5	172.1	-177.6	-87.5	0	0	0	112.5	L73 E74 Y89 D90 I112	Y70-L73 PolarHBondContact O-N 2.94Å; Y70-E74 HydrophobicContact CE1-CB 4.3Å; Y70-E74 WeakPolarHBondContact O-CB 3.32Å; Y70-E74 PolarHBondContact O-N 2.92Å; Y70-Y89 HydrophobicContact CD2-CE2 4.07Å; Y70-D90 PolarHBondContact N-OD1 2.78Å; Y70-I112 HydrophobicContact CE2-CB 3.87Å; Y70-I112 HydrophobicContact CE2-CG1 3.93Å; Y70-I112 HydrophobicContact CE2-CG2 4.15Å
71	D	92.9	Very high	90.7	Very high	108 Å²	108	53.7 Å²	53.7	58%	0.578	27%	0.274	S	S	*	.	H	α-helix	trans	-68.3	-39	-176.4	-60.5	-28.5	0	0	0	111.4	T69 E74 A75	T69-D71 VanDerWaalsContact C-N 3.27Å; T69-D71 PolarHBondContact O-N 2.98Å; D71-E74 PolarHBondContact O-N 3.08Å; D71-A75 VanDerWaalsContact O-CB 3.27Å; D71-A75 WeakPolarHBondContact O-CB 3.06Å; D71-A75 PolarHBondContact O-N 2.95Å
72	Q	93.9	Very high	90.3	Very high	29 Å²	29	46 Å²	46	14%	0.136	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-47.7	172.8	-73.4	170.9	-29	0	0	111.1	V39 T69 E74 A75 A76 Y130	V39-Q72 HydrophobicContact CG2-CB 3.65Å; T69-Q72 PolarHBondContact O-N 3.4Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.39Å; T69-Q72 VanDerWaalsContact OG1-CG 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 2.91Å; T69-Q72 PolarHBondContact OG1-N 3.13Å; T69-Q72 PolarHBondContact OG1-OE1 2.84Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 3.05Å; Q72-A75 PolarHBondContact O-N 2.8Å; Q72-A76 WeakPolarHBondContact O-CB 3.36Å; Q72-A76 PolarHBondContact O-N 2.7Å; Q72-Y130 HydrophobicContact CG-CD2 4.3Å; Q72-Y130 HydrophobicContact CG-CE2 4.36Å; Q72-Y130 VanDerWaalsContact NE2-CZ 3.26Å
73	L	93.6	Very high	90.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-39.6	179.5	-172.3	62.6	0	0	0	112.3	V39 T69 Y70 R77 L81 Y89 P97 I112 Y128	V39-L73 HydrophobicContact CG1-CD1 3.82Å; T69-L73 WeakPolarHBondContact O-CB 3.24Å; T69-L73 PolarHBondContact O-N 2.83Å; Y70-L73 PolarHBondContact O-N 2.94Å; L73-R77 WeakPolarHBondContact O-CB 3.14Å; L73-R77 PolarHBondContact O-N 3.33Å; L73-L81 HydrophobicContact CD1-CD2 4.13Å; L73-Y89 HydrophobicContact CD2-CD1 4.35Å; L73-Y89 HydrophobicContact CD2-CG 4.34Å; L73-P97 HydrophobicContact CD1-CB 4.3Å; L73-P97 HydrophobicContact CD1-CG 3.94Å; L73-P97 HydrophobicContact CG-CB 4.44Å; L73-I112 HydrophobicContact CB-CD1 4.4Å; L73-I112 HydrophobicContact CD2-CD1 4.03Å; L73-I112 HydrophobicContact CD2-CG2 4.22Å; L73-I112 HydrophobicContact CG-CD1 3.72Å; L73-Y128 HydrophobicContact CD1-CD1 3.54Å; L73-Y128 HydrophobicContact CD1-CD2 4.45Å; L73-Y128 HydrophobicContact CD1-CE1 4.07Å; L73-Y128 HydrophobicContact CD1-CG 3.75Å; L73-Y128 HydrophobicContact CD2-CD2 4.32Å; L73-Y128 HydrophobicContact CD2-CG 4.32Å
74	E	92.9	Very high	90.5	Very high	31 Å²	31	35.7 Å²	35.7	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-39.3	175.1	177.9	53.8	-152.5	0	0	112	Y70 D71 Q72 R77 Q78 I112	Y70-E74 HydrophobicContact CE1-CB 4.3Å; Y70-E74 WeakPolarHBondContact O-CB 3.32Å; Y70-E74 PolarHBondContact O-N 2.92Å; D71-E74 PolarHBondContact O-N 3.08Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 3.05Å; E74-R77 VanDerWaalsContact CD-NE 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.03Å; E74-R77 PolarHBondContact O-N 3.33Å; E74-R77 IonicContact OE1-CZ 2.87Å; E74-R77 VanDerWaalsContact OE1-CZ 3.29Å; E74-R77 IonicContact OE1-NE 2.61Å; E74-R77 PolarHBondContact OE1-NE 3.37Å; E74-R77 IonicContact OE1-NH2 3.64Å; E74-R77 PolarHBondContact OE1-NH2 3.48Å; E74-R77 WeakPolarHBondContact OE2-CD 3.34Å; E74-R77 IonicContact OE2-CZ 2.65Å; E74-R77 IonicContact OE2-NE 2.93Å; E74-R77 PolarHBondContact OE2-NE 3.38Å; E74-Q78 WeakPolarHBondContact O-CG 3.23Å; E74-Q78 PolarHBondContact O-N 2.03Å; E74-Q78 PolarHBondContact OE1-NE2 2.9Å; E74-I112 HydrophobicContact CB-CG1 4.25Å; E74-I112 WeakPolarHBondContact OE2-CG1 3.46Å
75	A	90.3	Very high	90.5	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-44.3	173.8	0	0	0	0	0	111.3	W32 A36 D71 Q72 R77 Q78 I79	W32-A75 HydrophobicContact CE3-CB 4.05Å; W32-A75 HydrophobicContact CZ3-CB 4.37Å; A36-A75 HydrophobicContact CB-CB 3.86Å; D71-A75 VanDerWaalsContact O-CB 3.27Å; D71-A75 WeakPolarHBondContact O-CB 3.06Å; D71-A75 PolarHBondContact O-N 2.95Å; Q72-A75 PolarHBondContact O-N 2.8Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 PolarHBondContact O-N 3.03Å; A75-Q78 WeakPolarHBondContact O-CB 3.27Å; A75-Q78 PolarHBondContact O-N 2.68Å; A75-Q78 VanDerWaalsContact O-N 3.11Å; A75-I79 PolarHBondContact O-N 3.27Å
76	A	88.3	Confident	90.7	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-42.2	175.1	0	0	0	0	0	112.2	V39 Q72 Q78 I79 G80 L81	V39-A76 HydrophobicContact CB-CB 3.55Å; V39-A76 HydrophobicContact CG1-CB 3.83Å; V39-A76 HydrophobicContact CG2-CB 4Å; Q72-A76 WeakPolarHBondContact O-CB 3.36Å; Q72-A76 PolarHBondContact O-N 2.7Å; A76-Q78 PolarHBondContact O-N 3.5Å; A76-I79 WeakPolarHBondContact O-CG1 3.17Å; A76-I79 PolarHBondContact O-N 2.81Å; A76-G80 PolarHBondContact O-N 2.72Å; A76-G80 VanDerWaalsContact O-N 3.16Å; A76-L81 HydrophobicContact CB-CB 4.01Å; A76-L81 HydrophobicContact CB-CD2 3.68Å; A76-L81 VanDerWaalsContact O-CB 3.26Å; A76-L81 WeakPolarHBondContact O-CB 3.29Å; A76-L81 PolarHBondContact O-N 3.45Å
77	R	91.1	Very high	90.8	Very high	33 Å²	33	28.4 Å²	28.4	13%	0.125	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-45.5	172.5	-172.5	-157.7	70.2	68.8	2.9	111.5	L73 E74 A75 I79 G80 P97 I98 V99 G111 I112	L73-R77 WeakPolarHBondContact O-CB 3.14Å; L73-R77 PolarHBondContact O-N 3.33Å; E74-R77 VanDerWaalsContact CD-NE 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.03Å; E74-R77 PolarHBondContact O-N 3.33Å; E74-R77 IonicContact OE1-CZ 2.87Å; E74-R77 VanDerWaalsContact OE1-CZ 3.29Å; E74-R77 IonicContact OE1-NE 2.61Å; E74-R77 PolarHBondContact OE1-NE 3.37Å; E74-R77 IonicContact OE1-NH2 3.64Å; E74-R77 PolarHBondContact OE1-NH2 3.48Å; E74-R77 WeakPolarHBondContact OE2-CD 3.34Å; E74-R77 IonicContact OE2-CZ 2.65Å; E74-R77 IonicContact OE2-NE 2.93Å; E74-R77 PolarHBondContact OE2-NE 3.38Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 PolarHBondContact O-N 3.03Å; R77-I79 PolarHBondContact O-N 2.74Å; R77-G80 PolarHBondContact O-N 2.95Å; R77-P97 HydrophobicContact CB-CB 3.72Å; R77-P97 HydrophobicContact CG-CB 3.84Å; R77-I98 WeakPolarHBondContact CD-O 3.41Å; R77-V99 HydrophobicContact CG-CG2 4.04Å; R77-V99 VanDerWaalsContact O-CG2 3.27Å; R77-V99 WeakPolarHBondContact O-CG2 3.35Å; R77-G111 VanDerWaalsContact CD-C 3.49Å; R77-G111 VanDerWaalsContact CD-CA 3.46Å; R77-I112 HydrophobicContact CB-CD1 4.35Å
78	Q	87.9	Confident	90.8	Very high	106 Å²	106	27.7 Å²	27.7	50%	0.495	14%	0.138	S	C	.	.	H	α-helix	trans	-61.8	-29.2	-178.4	-73.4	174.9	13.9	0	0	113.1	E74 A75 A76	E74-Q78 WeakPolarHBondContact O-CG 3.23Å; E74-Q78 PolarHBondContact O-N 2.03Å; E74-Q78 PolarHBondContact OE1-NE2 2.9Å; A75-Q78 WeakPolarHBondContact O-CB 3.27Å; A75-Q78 PolarHBondContact O-N 2.68Å; A75-Q78 VanDerWaalsContact O-N 3.11Å; A76-Q78 PolarHBondContact O-N 3.5Å
79	I	81.7	Confident	90.9	Very high	89 Å²	89	27.7 Å²	27.7	46%	0.456	14%	0.138	S	C	.	.	H	α-helix	trans	-90.5	-2.9	175.3	67.9	162.2	0	0	0	113.9	L33 A36 A75 A76 R77	L33-I79 HydrophobicContact CD2-CG2 4.1Å; A36-I79 HydrophobicContact CB-CD1 3.46Å; A36-I79 VanDerWaalsContact CB-CD1 3.46Å; A36-I79 HydrophobicContact CB-CG1 3.87Å; A36-I79 HydrophobicContact CB-CG2 4.16Å; A75-I79 PolarHBondContact O-N 3.27Å; A76-I79 WeakPolarHBondContact O-CG1 3.17Å; A76-I79 PolarHBondContact O-N 2.81Å; R77-I79 PolarHBondContact O-N 2.74Å
80	G	79.8	Confident	90.8	Very high	5 Å²	5	26.4 Å²	26.4	5%	0.052	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	128.1	-2.1	167.7	0	0	0	0	0	117	A76 R77 H82 T140 Y201	A76-G80 PolarHBondContact O-N 2.72Å; A76-G80 VanDerWaalsContact O-N 3.16Å; R77-G80 PolarHBondContact O-N 2.95Å; G80-H82 PolarHBondContact O-N 2.86Å; G80-H82 VanDerWaalsContact O-N 3.09Å; G80-T140 WeakPolarHBondContact CA-OG1 3.08Å; G80-T140 PolarHBondContact O-OG1 2.73Å; G80-Y201 PolarHBondContact O-OH 2.98Å; G80-Y201 VanDerWaalsContact O-OH 3.07Å
81	L	84.7	Confident	90.8	Very high	31 Å²	31	29.5 Å²	29.5	16%	0.162	15%	0.145	C	C	.	.			trans	-61.8	113.6	176.8	-176.3	65.8	0	0	0	110.6	V39 L73 A76 V83 P97 V99	V39-L81 HydrophobicContact CG1-CD2 3.88Å; L73-L81 HydrophobicContact CD1-CD2 4.13Å; A76-L81 HydrophobicContact CB-CB 4.01Å; A76-L81 HydrophobicContact CB-CD2 3.68Å; A76-L81 VanDerWaalsContact O-CB 3.26Å; A76-L81 WeakPolarHBondContact O-CB 3.29Å; A76-L81 PolarHBondContact O-N 3.45Å; L81-V83 HydrophobicContact CD1-CG2 3.94Å; L81-V83 HydrophobicContact CG-CG2 4.4Å; L81-P97 HydrophobicContact CD2-CG 4.02Å; L81-P97 HydrophobicContact CG-CG 3.95Å; L81-V99 WeakPolarHBondContact O-CG2 3.4Å
82	H	86.6	Confident	90.9	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	12%	0.117	C	C	.	.			trans	-132.6	111.6	-179.5	-179.1	92.9	0	0	0	109.6	G80 C84 V99 K100 H166 Y201	G80-H82 PolarHBondContact O-N 2.86Å; G80-H82 VanDerWaalsContact O-N 3.09Å; H82-C84 PolarHBondContact NE2-SG 3.21Å; H82-V99 HydrophobicContact CB-CB 4.17Å; H82-V99 HydrophobicContact CB-CG2 3.82Å; H82-V99 PolarHBondContact ND1-N 3.22Å; H82-K100 PolarHBondContact CE1-O 2.87Å; H82-H166 PolarHBondContact O-CE1 3.15Å; H82-H166 PolarHBondContact O-NE2 2.91Å; H82-Y201 HydrophobicContact CB-CD1 3.83Å; H82-Y201 HydrophobicContact CB-CE1 3.31Å; H82-Y201 AromaticContact CD2-CD1 3.59Å; H82-Y201 PolarHBondContact CD2-O 2.79Å; H82-Y201 AromaticContact CG-CD1 3.49Å; H82-Y201 VanDerWaalsContact CG-CD1 3.49Å; H82-Y201 AromaticContact CG-CE1 3.5Å; H82-Y201 AromaticContact ND1-CD1 3.86Å; H82-Y201 AromaticContact ND1-CE1 3.96Å
83	V	87.4	Confident	91.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.121	C	C	.	.			trans	-135.4	127.6	-177.1	179.4	0	0	0	0	107.9	H41 L81 A85 Y96 P97 Y128	H41-V83 HydrophobicContact CB-CG1 4.12Å; H41-V83 HydrophobicContact CB-CG2 3.94Å; L81-V83 HydrophobicContact CD1-CG2 3.94Å; L81-V83 HydrophobicContact CG-CG2 4.4Å; V83-A85 HydrophobicContact CG1-CB 4.06Å; V83-A85 PolarHBondContact O-N 3.17Å; V83-Y96 WeakPolarHBondContact O-CD2 3.04Å; V83-P97 PolarHBondContact N-O 2.92Å; V83-Y128 HydrophobicContact CB-CE1 4.26Å; V83-Y128 WeakPolarHBondContact CB-OH 3.4Å; V83-Y128 WeakPolarHBondContact CG1-OH 3.44Å; V83-Y128 HydrophobicContact CG2-CE1 4.43Å
84	C	88.3	Confident	91.3	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.061	12%	0.121	C	C	.	.			trans	-93.3	24.5	-174.9	-62.2	0	0	0	0	113.3	H82 C105 D202 I204	H82-C84 PolarHBondContact NE2-SG 3.21Å; C84-C105 WeakPolarHBondContact CA-SG 3Å; C84-C105 HydrophobicContact CB-CB 3.7Å; C84-C105 WeakPolarHBondContact CB-SG 3.47Å; C84-C105 WeakPolarHBondContact SG-CB 3.48Å; C84-C105 CovalentContact SG-SG 1.98Å; C84-C105 PolarHBondContact SG-SG 2.85Å; C84-D202 HydrophobicContact CB-CB 4.28Å; C84-D202 WeakPolarHBondContact SG-CB 3.3Å; C84-I204 HydrophobicContact CB-CD1 3.25Å; C84-I204 HydrophobicContact CB-CG1 3.73Å; C84-I204 VanDerWaalsContact O-CD1 3.31Å; C84-I204 WeakPolarHBondContact O-CD1 3.34Å
85	A	90.9	Very high	91.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-124	124.5	-176.9	0	0	0	0	0	110.6	Y49 V83 G87 Y96 D126 Y128	Y49-A85 HydrophobicContact CE1-CB 4.04Å; Y49-A85 VanDerWaalsContact OH-CA 3.28Å; Y49-A85 WeakPolarHBondContact OH-CA 3.21Å; V83-A85 HydrophobicContact CG1-CB 4.06Å; V83-A85 PolarHBondContact O-N 3.17Å; A85-G87 PolarHBondContact O-N 2.95Å; A85-Y96 VanDerWaalsContact O-CB 3.29Å; A85-Y96 WeakPolarHBondContact O-CB 3.45Å; A85-D126 VanDerWaalsContact CB-OD2 3.3Å; A85-D126 WeakPolarHBondContact CB-OD2 3.34Å; A85-Y128 PolarHBondContact O-OH 3.06Å
86	A	94.9	Very high	91.6	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	12%	0.115	C	C	.	.			trans	-69.8	131.9	179.6	0	0	0	0	0	111.4	Y49 V94 Y96 Y115 W125 D126	Y49-A86 WeakPolarHBondContact CE1-O 3.29Å; A86-V94 HydrophobicContact CB-CG1 4Å; A86-Y96 HydrophobicContact CB-CD1 3.8Å; A86-Y96 HydrophobicContact CB-CE1 4.26Å; A86-Y115 HydrophobicContact CB-CD2 4.28Å; A86-Y115 HydrophobicContact CB-CE2 3.93Å; A86-W125 HydrophobicContact CB-CE3 3.46Å; A86-W125 VanDerWaalsContact CB-CE3 3.46Å; A86-W125 HydrophobicContact CB-CZ3 3.51Å; A86-D126 PolarHBondContact O-N 3.23Å; A86-D126 VanDerWaalsContact O-N 3.14Å
87	G	97.2	Very high	91.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.3	-176.8	0	0	0	0	0	113.2	A85 V94 G95 D126	A85-G87 PolarHBondContact O-N 2.95Å; G87-V94 WeakPolarHBondContact O-CA 3.06Å; G87-G95 PolarHBondContact N-O 2.98Å; G87-G95 PolarHBondContact O-N 2.77Å; G87-G95 VanDerWaalsContact O-N 3.1Å; G87-D126 CarbonylContact C-O 3.6Å; G87-D126 VanDerWaalsContact CA-C 3.48Å; G87-D126 WeakPolarHBondContact CA-O 3.11Å
88	W	98.1	Very high	91.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.5	170	-67.6	110.1	0	0	0	110.9	L51 Y53 A56 L67 R93 V94 R118 E123 W125 D126 V127 Y128	L51-W88 PolarHBondContact O-NE1 2.75Å; Y53-W88 HydrophobicContact CD2-CB 4.35Å; Y53-W88 AromaticContact CD2-CD2 3.8Å; Y53-W88 HydrophobicContact CD2-CD2 3.8Å; Y53-W88 AromaticContact CD2-CE3 3.52Å; Y53-W88 HydrophobicContact CD2-CE3 3.52Å; Y53-W88 HydrophobicContact CD2-CG 4.18Å; Y53-W88 HydrophobicContact CD2-CZ3 4.06Å; Y53-W88 HydrophobicContact CE2-CE3 4.35Å; Y53-W88 HydrophobicContact CG-CD2 4.44Å; Y53-W88 HydrophobicContact CG-CE3 4.27Å; Y53-W88 HydrophobicContact CG-CZ3 4.46Å; A56-W88 HydrophobicContact CB-CB 3.94Å; A56-W88 HydrophobicContact CB-CG 3.99Å; L67-W88 HydrophobicContact CD2-CB 4.5Å; W88-R93 WeakPolarHBondContact CA-O 3.25Å; W88-V94 HydrophobicContact CD2-CG2 3.73Å; W88-V94 HydrophobicContact CE3-CG2 3.29Å; W88-V94 HydrophobicContact CG-CG2 4.48Å; W88-V94 HydrophobicContact CH2-CG2 4Å; W88-V94 HydrophobicContact CZ2-CG2 4.38Å; W88-V94 HydrophobicContact CZ3-CG2 3.44Å; W88-V94 VanDerWaalsContact CZ3-CG2 3.44Å; W88-R118 HydrophobicContact CH2-CB 3.51Å; W88-R118 HydrophobicContact CH2-CG 3.62Å; W88-R118 HydrophobicContact CZ3-CB 3.6Å; W88-R118 HydrophobicContact CZ3-CG 3.52Å; W88-E123 HydrophobicContact CH2-CB 4.48Å; W88-E123 HydrophobicContact CZ2-CB 4.15Å; W88-E123 WeakPolarHBondContact CZ2-O 3.46Å; W88-W125 AromaticContact CE2-CD1 3.45Å; W88-W125 VanDerWaalsContact CE2-CD1 3.45Å; W88-W125 HydrophobicContact CG-CB 4.34Å; W88-W125 AromaticContact CZ2-CD1 3.42Å; W88-W125 VanDerWaalsContact CZ2-CD1 3.42Å; W88-W125 AromaticContact NE1-CD1 3.65Å; W88-D126 PolarHBondContact N-O 3.3Å; W88-V127 HydrophobicContact CB-CG2 4.32Å; W88-Y128 PolarHBondContact O-N 3.37Å
89	Y	97.3	Very high	91.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	-177	166.8	67.9	-87.3	0	0	0	109.5	A68 Y70 L73 R93 N114	A68-Y89 WeakPolarHBondContact O-CB 3.46Å; Y70-Y89 HydrophobicContact CD2-CE2 4.07Å; L73-Y89 HydrophobicContact CD2-CD1 4.35Å; L73-Y89 HydrophobicContact CD2-CG 4.34Å; Y89-R93 HydrophobicContact CD1-CB 4.11Å; Y89-R93 WeakPolarHBondContact CD1-O 3.06Å; Y89-R93 HydrophobicContact CD2-CB 4.02Å; Y89-R93 HydrophobicContact CE1-CB 3.61Å; Y89-R93 HydrophobicContact CE2-CB 3.5Å; Y89-R93 HydrophobicContact CE2-CG 4.23Å; Y89-R93 HydrophobicContact CG-CB 4.29Å; Y89-R93 PolarHBondContact N-O 2.85Å; Y89-R93 PolarHBondContact O-N 2.86Å; Y89-R93 WeakPolarHBondContact OH-CB 3.37Å; Y89-N114 VanDerWaalsContact OH-CG 3.3Å; Y89-N114 PolarHBondContact OH-ND2 2.81Å; Y89-N114 PolarHBondContact OH-OD1 3.05Å
90	D	95.1	Very high	91.8	Very high	20 Å²	20	19.8 Å²	19.8	11%	0.107	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-49.7	148.7	-168	82.4	-45.1	0	0	0	114.4	A68 T69 Y70 G92 R93	A68-D90 WeakPolarHBondContact O-CB 3.41Å; A68-D90 PolarHBondContact O-N 3.47Å; T69-D90 WeakPolarHBondContact CA-OD1 3.33Å; T69-D90 HydrophobicContact CG2-CB 4.42Å; Y70-D90 PolarHBondContact N-OD1 2.78Å; D90-G92 VanDerWaalsContact C-N 3.32Å; D90-G92 PolarHBondContact O-N 2.91Å; D90-R93 VanDerWaalsContact CG-NH2 3.27Å; D90-R93 PolarHBondContact O-NE 3.13Å; D90-R93 IonicContact OD1-CZ 3.45Å; D90-R93 IonicContact OD1-NE 3.58Å; D90-R93 IonicContact OD1-NH2 2.66Å; D90-R93 PolarHBondContact OD1-NH2 2.87Å; D90-R93 IonicContact OD2-NH2 3.14Å; D90-R93 PolarHBondContact OD2-NH2 2.93Å; D90-R93 VanDerWaalsContact OD2-NH2 3.14Å
91	K	94.8	Very high	91.7	Very high	144 Å²	144	21.2 Å²	21.2	63%	0.626	10%	0.104	S	C	*	.	G	3₁₀ helix	trans	62.1	33.1	177.2	-53	169.9	-173.2	173.6	0	113.5	R93 Y117	K91-R93 VanDerWaalsContact C-N 3.28Å; K91-R93 PolarHBondContact O-N 2.85Å; K91-Y117 WeakPolarHBondContact O-CD2 3.15Å; K91-Y117 WeakPolarHBondContact O-CE2 3.28Å
92	G	95.1	Very high	91	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	69.3	27.6	173.7	0	0	0	0	0	113.7	Y53 D90 R118	Y53-G92 VanDerWaalsContact CE2-N 3.33Å; Y53-G92 PolarHBondContact OH-N 2.96Å; D90-G92 VanDerWaalsContact C-N 3.32Å; D90-G92 PolarHBondContact O-N 2.91Å; G92-R118 PolarHBondContact O-N 2.89Å
93	R	97.1	Very high	90.3	Very high	55 Å²	55	24.8 Å²	24.8	21%	0.208	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.2	178.5	-63.6	-177	-81.4	-173.8	-3.3	110.4	W88 Y89 D90 K91 G116	W88-R93 WeakPolarHBondContact CA-O 3.25Å; Y89-R93 HydrophobicContact CD1-CB 4.11Å; Y89-R93 WeakPolarHBondContact CD1-O 3.06Å; Y89-R93 HydrophobicContact CD2-CB 4.02Å; Y89-R93 HydrophobicContact CE1-CB 3.61Å; Y89-R93 HydrophobicContact CE2-CB 3.5Å; Y89-R93 HydrophobicContact CE2-CG 4.23Å; Y89-R93 HydrophobicContact CG-CB 4.29Å; Y89-R93 PolarHBondContact N-O 2.85Å; Y89-R93 PolarHBondContact O-N 2.86Å; Y89-R93 WeakPolarHBondContact OH-CB 3.37Å; D90-R93 VanDerWaalsContact CG-NH2 3.27Å; D90-R93 PolarHBondContact O-NE 3.13Å; D90-R93 IonicContact OD1-CZ 3.45Å; D90-R93 IonicContact OD1-NE 3.58Å; D90-R93 IonicContact OD1-NH2 2.66Å; D90-R93 PolarHBondContact OD1-NH2 2.87Å; D90-R93 IonicContact OD2-NH2 3.14Å; D90-R93 PolarHBondContact OD2-NH2 2.93Å; D90-R93 VanDerWaalsContact OD2-NH2 3.14Å; K91-R93 VanDerWaalsContact C-N 3.28Å; K91-R93 PolarHBondContact O-N 2.85Å; R93-G116 WeakPolarHBondContact CA-O 2.93Å
94	V	97.7	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.2	176.4	173.3	0	0	0	0	109.7	A86 G87 W88 N114 Y115 G116 R118 W125	A86-V94 HydrophobicContact CB-CG1 4Å; G87-V94 WeakPolarHBondContact O-CA 3.06Å; W88-V94 HydrophobicContact CD2-CG2 3.73Å; W88-V94 HydrophobicContact CE3-CG2 3.29Å; W88-V94 HydrophobicContact CG-CG2 4.48Å; W88-V94 HydrophobicContact CH2-CG2 4Å; W88-V94 HydrophobicContact CZ2-CG2 4.38Å; W88-V94 HydrophobicContact CZ3-CG2 3.44Å; W88-V94 VanDerWaalsContact CZ3-CG2 3.44Å; V94-N114 PolarHBondContact O-OD1 3.15Å; V94-Y115 HydrophobicContact CG1-CD2 4.03Å; V94-Y115 HydrophobicContact CG1-CG 4.48Å; V94-Y115 WeakPolarHBondContact O-CA 3.28Å; V94-Y115 WeakPolarHBondContact O-CB 3.26Å; V94-Y115 PolarHBondContact O-N 2.94Å; V94-G116 PolarHBondContact N-O 2.96Å; V94-G116 VanDerWaalsContact N-O 3.15Å; V94-R118 HydrophobicContact CB-CG 4.12Å; V94-R118 HydrophobicContact CG2-CG 3.52Å; V94-W125 HydrophobicContact CG1-CD2 3.63Å; V94-W125 HydrophobicContact CG1-CE3 3.85Å; V94-W125 HydrophobicContact CG1-CG 4.01Å; V94-W125 HydrophobicContact CG1-CH2 4.46Å; V94-W125 HydrophobicContact CG1-CZ2 4.29Å; V94-W125 HydrophobicContact CG1-CZ3 4.26Å; V94-W125 HydrophobicContact CG2-CD2 4.27Å; V94-W125 HydrophobicContact CG2-CG 3.95Å
95	G	95.9	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-174	178.5	0	0	0	0	0	111.1	G87 V113 Y128	G87-G95 PolarHBondContact N-O 2.98Å; G87-G95 PolarHBondContact O-N 2.77Å; G87-G95 VanDerWaalsContact O-N 3.1Å; G95-V113 CarbonylContact C-O 3.6Å; G95-V113 WeakPolarHBondContact CA-O 3.38Å; G95-Y128 WeakPolarHBondContact O-CE2 3.44Å
96	Y	94.6	Very high	88.9	Confident	9 Å²	9	29.7 Å²	29.7	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.6	-179.9	54.2	-80.9	0	0	0	112.2	V83 A85 A86 I98 I112 V113 Y115 Y128	V83-Y96 WeakPolarHBondContact O-CD2 3.04Å; A85-Y96 VanDerWaalsContact O-CB 3.29Å; A85-Y96 WeakPolarHBondContact O-CB 3.45Å; A86-Y96 HydrophobicContact CB-CD1 3.8Å; A86-Y96 HydrophobicContact CB-CE1 4.26Å; Y96-I98 HydrophobicContact CD2-CD1 3.61Å; Y96-I98 HydrophobicContact CD2-CG1 3.89Å; Y96-I98 HydrophobicContact CE2-CD1 3.69Å; Y96-I98 HydrophobicContact CE2-CG1 3.88Å; Y96-I112 CarbonylContact O-C 3.58Å; Y96-I112 WeakPolarHBondContact O-CA 3.29Å; Y96-V113 HydrophobicContact CD1-CB 4.08Å; Y96-V113 HydrophobicContact CD1-CG1 4.44Å; Y96-V113 HydrophobicContact CD2-CB 4.24Å; Y96-V113 HydrophobicContact CD2-CG2 4.39Å; Y96-V113 HydrophobicContact CE1-CB 3.68Å; Y96-V113 HydrophobicContact CE1-CG1 3.64Å; Y96-V113 HydrophobicContact CE1-CG2 4.5Å; Y96-V113 HydrophobicContact CE2-CB 3.86Å; Y96-V113 HydrophobicContact CE2-CG1 4.37Å; Y96-V113 HydrophobicContact CE2-CG2 3.83Å; Y96-V113 HydrophobicContact CG-CB 4.34Å; Y96-V113 PolarHBondContact N-O 2.92Å; Y96-V113 VanDerWaalsContact N-O 3.13Å; Y96-V113 PolarHBondContact O-N 3.04Å; Y96-Y115 AromaticContact CE1-CE1 3.95Å; Y96-Y115 HydrophobicContact CE1-CE1 3.95Å; Y96-Y115 HydrophobicContact CE1-CE2 4.46Å; Y96-Y115 AromaticContact CE1-CZ 3.76Å; Y96-Y128 VanDerWaalsContact CB-OH 3.22Å; Y96-Y128 WeakPolarHBondContact CB-OH 3.3Å
97	P	93	Very high	88.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.6	-175	33.2	-31.9	0	0	0	112.6	L73 R77 L81 V83 I112 Y128	L73-P97 HydrophobicContact CD1-CB 4.3Å; L73-P97 HydrophobicContact CD1-CG 3.94Å; L73-P97 HydrophobicContact CG-CB 4.44Å; R77-P97 HydrophobicContact CB-CB 3.72Å; R77-P97 HydrophobicContact CG-CB 3.84Å; L81-P97 HydrophobicContact CD2-CG 4.02Å; L81-P97 HydrophobicContact CG-CG 3.95Å; V83-P97 PolarHBondContact N-O 2.92Å; P97-I112 HydrophobicContact CB-CD1 3.64Å; P97-Y128 WeakPolarHBondContact CD-OH 3.43Å; P97-Y128 HydrophobicContact CG-CE1 3.99Å
98	I	91.3	Very high	87.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.2	178	-58.6	-61	0	0	0	111.5	R77 Y96 K100 C105 R109 V110 G111 V113	R77-I98 WeakPolarHBondContact CD-O 3.41Å; Y96-I98 HydrophobicContact CD2-CD1 3.61Å; Y96-I98 HydrophobicContact CD2-CG1 3.89Å; Y96-I98 HydrophobicContact CE2-CD1 3.69Å; Y96-I98 HydrophobicContact CE2-CG1 3.88Å; I98-K100 WeakPolarHBondContact CG2-O 3.29Å; I98-C105 WeakPolarHBondContact CD1-SG 3.49Å; I98-R109 WeakPolarHBondContact CG2-O 3.44Å; I98-V110 WeakPolarHBondContact O-CG1 3.19Å; I98-G111 WeakPolarHBondContact CB-O 3.43Å; I98-G111 PolarHBondContact N-O 2.59Å; I98-G111 PolarHBondContact O-N 2.91Å; I98-V113 HydrophobicContact CG1-CG2 3.74Å
99	V	87.3	Confident	87	Confident	34 Å²	34	48 Å²	48	21%	0.206	26%	0.259	C	S	.	.	S	Bend	trans	-74.7	-47.7	170.5	-176.1	0	0	0	0	112.8	R77 L81 H82 Y201	R77-V99 HydrophobicContact CG-CG2 4.04Å; R77-V99 VanDerWaalsContact O-CG2 3.27Å; R77-V99 WeakPolarHBondContact O-CG2 3.35Å; L81-V99 WeakPolarHBondContact O-CG2 3.4Å; H82-V99 HydrophobicContact CB-CB 4.17Å; H82-V99 HydrophobicContact CB-CG2 3.82Å; H82-V99 PolarHBondContact ND1-N 3.22Å; V99-Y201 HydrophobicContact CB-CE1 3.92Å; V99-Y201 HydrophobicContact CG1-CE1 4.31Å; V99-Y201 HydrophobicContact CG2-CE1 4.39Å
100	K	81.3	Confident	86.6	Confident	98 Å²	98	52.3 Å²	52.3	43%	0.426	29%	0.285	S	S	.	.	S	Bend	trans	-126.1	123.2	-179.6	-174.6	-178.2	178.2	-172.9	0	109	H82 I98 G102 Y201	H82-K100 PolarHBondContact CE1-O 2.87Å; I98-K100 WeakPolarHBondContact CG2-O 3.29Å; K100-G102 PolarHBondContact O-N 3.29Å; K100-Y201 HydrophobicContact CB-CD1 4.43Å
101	A	77.3	Confident	86.5	Confident	36 Å²	36	52 Å²	52	30%	0.298	29%	0.287	S	S	.	.			trans	-69	130.2	178.4	0	0	0	0	0	111.1	V110	A101-V110 HydrophobicContact CB-CG2 4.09Å
102	G	70	Confident	86.4	Confident	25 Å²	25	46 Å²	46	26%	0.258	26%	0.261	S	S	.	.			trans	-114.2	169.5	168	0	0	0	0	0	111.2	K100 N104 C105 G108	K100-G102 PolarHBondContact O-N 3.29Å; G102-N104 VanDerWaalsContact C-N 3.33Å; G102-C105 CarbonylContact C-O 3.59Å; G102-C105 WeakPolarHBondContact CA-O 3.35Å; G102-C105 PolarHBondContact N-O 2.9Å; G102-G108 PolarHBondContact O-N 3.29Å
103	A	71	Confident	86.4	Confident	85 Å²	85	47 Å²	47	70%	0.702	27%	0.267	S	S	*	.	S	Bend	trans	-67.5	-37	173	0	0	0	0	0	111.5
104	N	74.9	Confident	86.1	Confident	111 Å²	111	48.2 Å²	48.2	59%	0.594	28%	0.278	S	S	*	.	S	Bend	trans	-97.6	-7.5	-175.8	-59.9	-23.6	0	0	0	113.2	G102	G102-N104 VanDerWaalsContact C-N 3.33Å
105	C	81.5	Confident	86	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.02	30%	0.295	C	S	.	.	S	Bend	trans	-143.4	118.4	-178.3	180	0	0	0	0	110.9	C84 I98 G102 F107	C84-C105 WeakPolarHBondContact CA-SG 3Å; C84-C105 HydrophobicContact CB-CB 3.7Å; C84-C105 WeakPolarHBondContact CB-SG 3.47Å; C84-C105 WeakPolarHBondContact SG-CB 3.48Å; C84-C105 CovalentContact SG-SG 1.98Å; C84-C105 PolarHBondContact SG-SG 2.85Å; I98-C105 WeakPolarHBondContact CD1-SG 3.49Å; G102-C105 CarbonylContact C-O 3.59Å; G102-C105 WeakPolarHBondContact CA-O 3.35Å; G102-C105 PolarHBondContact N-O 2.9Å; C105-F107 VanDerWaalsContact C-N 3.3Å; C105-F107 PolarHBondContact O-N 3.27Å
106	G	80.9	Confident	85.9	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	31%	0.308	C	S	.	.	S	Bend	trans	84.2	-7.3	-175.8	0	0	0	0	0	115.5	G108 R109	G106-G108 VanDerWaalsContact C-N 3.26Å; G106-G108 PolarHBondContact O-N 2.9Å; G106-R109 VanDerWaalsContact O-CB 3.31Å; G106-R109 WeakPolarHBondContact O-CB 3.44Å; G106-R109 PolarHBondContact O-N 3.32Å
107	F	82.3	Confident	85.9	Confident	143 Å²	143	59.4 Å²	59.4	63%	0.627	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	45.5	177.4	-57.7	-79.4	0	0	0	113.1	C105 R109	C105-F107 VanDerWaalsContact C-N 3.3Å; C105-F107 PolarHBondContact O-N 3.27Å; F107-R109 VanDerWaalsContact C-N 3.33Å; F107-R109 PolarHBondContact O-N 3.21Å
108	G	82.5	Confident	86.1	Confident	61 Å²	61	62.7 Å²	62.7	63%	0.629	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	7.7	-178	0	0	0	0	0	115.4	G102 G106	G102-G108 PolarHBondContact O-N 3.29Å; G106-G108 VanDerWaalsContact C-N 3.26Å; G106-G108 PolarHBondContact O-N 2.9Å
109	R	85.3	Confident	86.2	Confident	184 Å²	184	70.2 Å²	70.2	69%	0.694	38%	0.382	S	S	*	.			trans	-113.7	140.7	-178.8	-54.5	-179	-177.8	-170.6	-0.3	111.8	I98 G106 F107	I98-R109 WeakPolarHBondContact CG2-O 3.44Å; G106-R109 VanDerWaalsContact O-CB 3.31Å; G106-R109 WeakPolarHBondContact O-CB 3.44Å; G106-R109 PolarHBondContact O-N 3.32Å; F107-R109 VanDerWaalsContact C-N 3.33Å; F107-R109 PolarHBondContact O-N 3.21Å
110	V	89.6	Confident	86.5	Confident	89 Å²	89	72.6 Å²	72.6	54%	0.539	39%	0.393	S	S	.	.			trans	-103	147.6	170.1	173.9	0	0	0	0	108.2	I98 A101	I98-V110 WeakPolarHBondContact O-CG1 3.19Å; A101-V110 HydrophobicContact CB-CG2 4.09Å
111	G	92.4	Very high	87	Confident	14 Å²	14	72.5 Å²	72.5	14%	0.144	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117	-169.5	-176.4	0	0	0	0	0	112.4	R77 I98 V113	R77-G111 VanDerWaalsContact CD-C 3.49Å; R77-G111 VanDerWaalsContact CD-CA 3.46Å; I98-G111 WeakPolarHBondContact CB-O 3.43Å; I98-G111 PolarHBondContact N-O 2.59Å; I98-G111 PolarHBondContact O-N 2.91Å; G111-V113 PolarHBondContact O-N 3.33Å
112	I	94.3	Very high	87.8	Confident	17 Å²	17	74.9 Å²	74.9	9%	0.087	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.9	168.6	-52.1	-49.7	0	0	0	108.9	Y70 L73 E74 R77 Y96 P97 N114	Y70-I112 HydrophobicContact CE2-CB 3.87Å; Y70-I112 HydrophobicContact CE2-CG1 3.93Å; Y70-I112 HydrophobicContact CE2-CG2 4.15Å; L73-I112 HydrophobicContact CB-CD1 4.4Å; L73-I112 HydrophobicContact CD2-CD1 4.03Å; L73-I112 HydrophobicContact CD2-CG2 4.22Å; L73-I112 HydrophobicContact CG-CD1 3.72Å; E74-I112 HydrophobicContact CB-CG1 4.25Å; E74-I112 WeakPolarHBondContact OE2-CG1 3.46Å; R77-I112 HydrophobicContact CB-CD1 4.35Å; Y96-I112 CarbonylContact O-C 3.58Å; Y96-I112 WeakPolarHBondContact O-CA 3.29Å; P97-I112 HydrophobicContact CB-CD1 3.64Å; I112-N114 PolarHBondContact O-N 3.24Å
113	V	93.9	Very high	89.1	Confident	22 Å²	22	75.7 Å²	75.7	13%	0.133	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	104	169.9	-179.1	0	0	0	0	107.7	G95 Y96 I98 G111 Y115	G95-V113 CarbonylContact C-O 3.6Å; G95-V113 WeakPolarHBondContact CA-O 3.38Å; Y96-V113 HydrophobicContact CD1-CB 4.08Å; Y96-V113 HydrophobicContact CD1-CG1 4.44Å; Y96-V113 HydrophobicContact CD2-CB 4.24Å; Y96-V113 HydrophobicContact CD2-CG2 4.39Å; Y96-V113 HydrophobicContact CE1-CB 3.68Å; Y96-V113 HydrophobicContact CE1-CG1 3.64Å; Y96-V113 HydrophobicContact CE1-CG2 4.5Å; Y96-V113 HydrophobicContact CE2-CB 3.86Å; Y96-V113 HydrophobicContact CE2-CG1 4.37Å; Y96-V113 HydrophobicContact CE2-CG2 3.83Å; Y96-V113 HydrophobicContact CG-CB 4.34Å; Y96-V113 PolarHBondContact N-O 2.92Å; Y96-V113 VanDerWaalsContact N-O 3.13Å; Y96-V113 PolarHBondContact O-N 3.04Å; I98-V113 HydrophobicContact CG1-CG2 3.74Å; G111-V113 PolarHBondContact O-N 3.33Å; V113-Y115 HydrophobicContact CG1-CD1 4.29Å; V113-Y115 HydrophobicContact CG1-CE1 3.78Å
114	N	92.2	Very high	90.3	Very high	80 Å²	80	77.2 Å²	77.2	43%	0.428	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.6	-169	-169.1	-3	0	0	0	111.5	Y89 V94 I112 G116	Y89-N114 VanDerWaalsContact OH-CG 3.3Å; Y89-N114 PolarHBondContact OH-ND2 2.81Å; Y89-N114 PolarHBondContact OH-OD1 3.05Å; V94-N114 PolarHBondContact O-OD1 3.15Å; I112-N114 PolarHBondContact O-N 3.24Å; N114-G116 VanDerWaalsContact C-N 3.32Å; N114-G116 WeakPolarHBondContact OD1-CA 3.49Å; N114-G116 PolarHBondContact OD1-N 2.69Å
115	Y	93.9	Very high	91.4	Very high	93 Å²	93	74.1 Å²	74.1	37%	0.365	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	4.5	174.4	-68.9	0.6	0	0	0	112.8	A86 V94 Y96 V113 W125	A86-Y115 HydrophobicContact CB-CD2 4.28Å; A86-Y115 HydrophobicContact CB-CE2 3.93Å; V94-Y115 HydrophobicContact CG1-CD2 4.03Å; V94-Y115 HydrophobicContact CG1-CG 4.48Å; V94-Y115 WeakPolarHBondContact O-CA 3.28Å; V94-Y115 WeakPolarHBondContact O-CB 3.26Å; V94-Y115 PolarHBondContact O-N 2.94Å; Y96-Y115 AromaticContact CE1-CE1 3.95Å; Y96-Y115 HydrophobicContact CE1-CE1 3.95Å; Y96-Y115 HydrophobicContact CE1-CE2 4.46Å; Y96-Y115 AromaticContact CE1-CZ 3.76Å; V113-Y115 HydrophobicContact CG1-CD1 4.29Å; V113-Y115 HydrophobicContact CG1-CE1 3.78Å; Y115-W125 AromaticContact CD2-CH2 3.76Å; Y115-W125 HydrophobicContact CD2-CH2 3.76Å; Y115-W125 HydrophobicContact CD2-CZ2 4.44Å; Y115-W125 HydrophobicContact CD2-CZ3 4.06Å; Y115-W125 AromaticContact CE2-CH2 3.89Å; Y115-W125 HydrophobicContact CE2-CH2 3.89Å; Y115-W125 AromaticContact CE2-CZ3 3.94Å; Y115-W125 HydrophobicContact CE2-CZ3 3.94Å
116	G	93.8	Very high	92	Very high	27 Å²	27	74 Å²	74	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-171.3	174.3	0	0	0	0	0	114	R93 V94 N114	R93-G116 WeakPolarHBondContact CA-O 2.93Å; V94-G116 PolarHBondContact N-O 2.96Å; V94-G116 VanDerWaalsContact N-O 3.15Å; N114-G116 VanDerWaalsContact C-N 3.32Å; N114-G116 WeakPolarHBondContact OD1-CA 3.49Å; N114-G116 PolarHBondContact OD1-N 2.69Å
117	Y	96.1	Very high	92.7	Very high	125 Å²	125	73.9 Å²	73.9	49%	0.49	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.3	173.4	-176.7	-89.5	0	0	0	110	K91 L119 K121	K91-Y117 WeakPolarHBondContact O-CD2 3.15Å; K91-Y117 WeakPolarHBondContact O-CE2 3.28Å; Y117-L119 HydrophobicContact CD1-CD2 3.9Å; Y117-L119 HydrophobicContact CE1-CD2 3.87Å; Y117-K121 WeakPolarHBondContact OH-CE 2.96Å
118	R	96.6	Very high	93.4	Very high	68 Å²	68	67.1 Å²	67.1	26%	0.257	34%	0.341	S	S	.	.			trans	-93	117	176	-51.6	-52.7	-60.4	-160.8	-2.7	110.1	W88 G92 V94 E123	W88-R118 HydrophobicContact CH2-CB 3.51Å; W88-R118 HydrophobicContact CH2-CG 3.62Å; W88-R118 HydrophobicContact CZ3-CB 3.6Å; W88-R118 HydrophobicContact CZ3-CG 3.52Å; G92-R118 PolarHBondContact O-N 2.89Å; V94-R118 HydrophobicContact CB-CG 4.12Å; V94-R118 HydrophobicContact CG2-CG 3.52Å; R118-E123 IonicContact CZ-OE1 3.35Å; R118-E123 IonicContact CZ-OE2 3.04Å; R118-E123 VanDerWaalsContact NE-CD 3.3Å; R118-E123 IonicContact NE-OE1 3.08Å; R118-E123 PolarHBondContact NE-OE1 3.09Å; R118-E123 VanDerWaalsContact NE-OE1 3.08Å; R118-E123 IonicContact NE-OE2 2.77Å; R118-E123 PolarHBondContact NE-OE2 3.21Å; R118-E123 IonicContact NH2-OE1 2.76Å; R118-E123 PolarHBondContact NH2-OE1 3.07Å; R118-E123 IonicContact NH2-OE2 2.84Å; R118-E123 PolarHBondContact NH2-OE2 2.87Å
119	L	92.5	Very high	93.9	Very high	158 Å²	158	64.2 Å²	64.2	83%	0.827	31%	0.311	S	S	*	.	S	Bend	trans	-68	-39.6	174.4	-61.6	175.4	0	0	0	110.9	Y117 K121	Y117-L119 HydrophobicContact CD1-CD2 3.9Å; Y117-L119 HydrophobicContact CE1-CD2 3.87Å; L119-K121 PolarHBondContact O-N 3.16Å
120	N	94.4	Very high	94.2	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	29%	0.285	S	S	.	.			trans	-86.4	99.8	175.8	-177.8	7.1	0	0	0	110.5	S122 E123	N120-S122 PolarHBondContact O-N 3.34Å; N120-S122 WeakPolarHBondContact OD1-CB 2.86Å; N120-S122 PolarHBondContact OD1-N 3.22Å; N120-E123 HydrophobicContact CB-CG 4.03Å; N120-E123 WeakPolarHBondContact O-CG 3.34Å; N120-E123 PolarHBondContact O-N 2.94Å
121	K	91.6	Very high	94.2	Very high	95 Å²	95	54 Å²	54	41%	0.413	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.8	179.7	-67.8	-175.9	178.2	177.4	0	114.4	Y53 Y117 L119	Y53-K121 HydrophobicContact CD1-CD 3.97Å; Y53-K121 HydrophobicContact CD1-CG 4.46Å; Y53-K121 PolarHBondContact N-O 2.86Å; Y117-K121 WeakPolarHBondContact OH-CE 2.96Å; L119-K121 PolarHBondContact O-N 3.16Å
122	S	94.4	Very high	93.8	Very high	86 Å²	86	56.9 Å²	56.9	60%	0.601	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.8	174.1	-53.6	0	0	0	0	112.9	N120	N120-S122 PolarHBondContact O-N 3.34Å; N120-S122 WeakPolarHBondContact OD1-CB 2.86Å; N120-S122 PolarHBondContact OD1-N 3.22Å
123	E	96.3	Very high	93.1	Very high	42 Å²	42	62.6 Å²	62.6	20%	0.196	31%	0.311	C	S	.	.			trans	-57.7	152.3	167.9	-68.3	178.2	-149.1	0	0	110.9	T52 W88 R118 N120 W125	T52-E123 WeakPolarHBondContact CA-O 3.41Å; W88-E123 HydrophobicContact CH2-CB 4.48Å; W88-E123 HydrophobicContact CZ2-CB 4.15Å; W88-E123 WeakPolarHBondContact CZ2-O 3.46Å; R118-E123 IonicContact CZ-OE1 3.35Å; R118-E123 IonicContact CZ-OE2 3.04Å; R118-E123 VanDerWaalsContact NE-CD 3.3Å; R118-E123 IonicContact NE-OE1 3.08Å; R118-E123 PolarHBondContact NE-OE1 3.09Å; R118-E123 VanDerWaalsContact NE-OE1 3.08Å; R118-E123 IonicContact NE-OE2 2.77Å; R118-E123 PolarHBondContact NE-OE2 3.21Å; R118-E123 IonicContact NH2-OE1 2.76Å; R118-E123 PolarHBondContact NH2-OE1 3.07Å; R118-E123 IonicContact NH2-OE2 2.84Å; R118-E123 PolarHBondContact NH2-OE2 2.87Å; N120-E123 HydrophobicContact CB-CG 4.03Å; N120-E123 WeakPolarHBondContact O-CG 3.34Å; N120-E123 PolarHBondContact O-N 2.94Å; E123-W125 PolarHBondContact OE2-NE1 3.16Å; E123-W125 VanDerWaalsContact OE2-NE1 3.11Å
124	R	96.9	Very high	92	Very high	117 Å²	117	63 Å²	63	44%	0.442	32%	0.315	S	S	.	.			trans	-115.8	129.3	-174.8	-62.6	178.2	165.3	-112.3	-19.5	110.7	Y49 Q50 L51 T52	Y49-R124 WeakPolarHBondContact O-CB 3.34Å; Q50-R124 PolarHBondContact O-NH1 3.31Å; L51-R124 WeakPolarHBondContact O-CA 3.41Å; T52-R124 HydrophobicContact CG2-CG 4.37Å
125	W	97	Very high	90.5	Very high	46 Å²	46	68.8 Å²	68.8	17%	0.174	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-145.3	176.9	-177.9	-59.1	93.9	0	0	0	108.8	Y49 L51 A86 W88 V94 Y115 E123	Y49-W125 HydrophobicContact CD1-CE3 4.37Å; L51-W125 WeakPolarHBondContact CB-O 3.42Å; L51-W125 PolarHBondContact N-O 3Å; L51-W125 PolarHBondContact O-N 2.98Å; A86-W125 HydrophobicContact CB-CE3 3.46Å; A86-W125 VanDerWaalsContact CB-CE3 3.46Å; A86-W125 HydrophobicContact CB-CZ3 3.51Å; W88-W125 AromaticContact CE2-CD1 3.45Å; W88-W125 VanDerWaalsContact CE2-CD1 3.45Å; W88-W125 HydrophobicContact CG-CB 4.34Å; W88-W125 AromaticContact CZ2-CD1 3.42Å; W88-W125 VanDerWaalsContact CZ2-CD1 3.42Å; W88-W125 AromaticContact NE1-CD1 3.65Å; V94-W125 HydrophobicContact CG1-CD2 3.63Å; V94-W125 HydrophobicContact CG1-CE3 3.85Å; V94-W125 HydrophobicContact CG1-CG 4.01Å; V94-W125 HydrophobicContact CG1-CH2 4.46Å; V94-W125 HydrophobicContact CG1-CZ2 4.29Å; V94-W125 HydrophobicContact CG1-CZ3 4.26Å; V94-W125 HydrophobicContact CG2-CD2 4.27Å; V94-W125 HydrophobicContact CG2-CG 3.95Å; Y115-W125 AromaticContact CD2-CH2 3.76Å; Y115-W125 HydrophobicContact CD2-CH2 3.76Å; Y115-W125 HydrophobicContact CD2-CZ2 4.44Å; Y115-W125 HydrophobicContact CD2-CZ3 4.06Å; Y115-W125 AromaticContact CE2-CH2 3.89Å; Y115-W125 HydrophobicContact CE2-CH2 3.89Å; Y115-W125 AromaticContact CE2-CZ3 3.94Å; Y115-W125 HydrophobicContact CE2-CZ3 3.94Å; E123-W125 PolarHBondContact OE2-NE1 3.16Å; E123-W125 VanDerWaalsContact OE2-NE1 3.11Å
126	D	95.9	Very high	89.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-166.5	164.7	-68.6	-12.2	0	0	0	109.4	H41 R42 R48 Y49 A85 A86 G87 W88	H41-D126 IonicContact CE1-OD2 3.6Å; H41-D126 PolarHBondContact CE1-OD2 3.42Å; H41-D126 VanDerWaalsContact NE2-CB 3.33Å; H41-D126 WeakPolarHBondContact NE2-CB 3.47Å; H41-D126 IonicContact NE2-OD2 3.31Å; H41-D126 PolarHBondContact NE2-OD2 3.02Å; R42-D126 WeakPolarHBondContact O-CB 3.5Å; R48-D126 WeakPolarHBondContact CA-OD1 3.47Å; Y49-D126 PolarHBondContact N-OD1 3.2Å; A85-D126 VanDerWaalsContact CB-OD2 3.3Å; A85-D126 WeakPolarHBondContact CB-OD2 3.34Å; A86-D126 PolarHBondContact O-N 3.23Å; A86-D126 VanDerWaalsContact O-N 3.14Å; G87-D126 CarbonylContact C-O 3.6Å; G87-D126 VanDerWaalsContact CA-C 3.48Å; G87-D126 WeakPolarHBondContact CA-O 3.11Å; W88-D126 PolarHBondContact N-O 3.3Å
127	V	95.7	Very high	88.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.6	176.5	65.7	0	0	0	0	112.4	H41 R42 L51 A56 V59 C60 L67 W88	H41-V127 WeakPolarHBondContact CA-O 3.24Å; R42-V127 HydrophobicContact CB-CG1 3.69Å; R42-V127 PolarHBondContact N-O 3.49Å; R42-V127 PolarHBondContact O-N 3.3Å; L51-V127 HydrophobicContact CD1-CB 4.21Å; L51-V127 HydrophobicContact CD1-CG1 3.75Å; A56-V127 HydrophobicContact CB-CB 3.82Å; A56-V127 HydrophobicContact CB-CG2 3.69Å; V59-V127 HydrophobicContact CG1-CG1 4.28Å; C60-V127 WeakPolarHBondContact SG-CG2 3.4Å; L67-V127 HydrophobicContact CD2-CG2 3.23Å; W88-V127 HydrophobicContact CB-CG2 4.32Å
128	Y	95.2	Very high	88.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	165.8	-66.3	-81.9	0	0	0	109.8	Y40 H41 A68 L73 V83 A85 W88 G95 Y96 P97	Y40-Y128 CarbonylContact O-C 3.58Å; Y40-Y128 VanDerWaalsContact O-CA 3.23Å; Y40-Y128 WeakPolarHBondContact O-CA 3.39Å; H41-Y128 HydrophobicContact CB-CD1 4.06Å; H41-Y128 HydrophobicContact CB-CE1 3.72Å; A68-Y128 PolarHBondContact N-O 3.06Å; L73-Y128 HydrophobicContact CD1-CD1 3.54Å; L73-Y128 HydrophobicContact CD1-CD2 4.45Å; L73-Y128 HydrophobicContact CD1-CE1 4.07Å; L73-Y128 HydrophobicContact CD1-CG 3.75Å; L73-Y128 HydrophobicContact CD2-CD2 4.32Å; L73-Y128 HydrophobicContact CD2-CG 4.32Å; V83-Y128 HydrophobicContact CB-CE1 4.26Å; V83-Y128 WeakPolarHBondContact CB-OH 3.4Å; V83-Y128 WeakPolarHBondContact CG1-OH 3.44Å; V83-Y128 HydrophobicContact CG2-CE1 4.43Å; A85-Y128 PolarHBondContact O-OH 3.06Å; W88-Y128 PolarHBondContact O-N 3.37Å; G95-Y128 WeakPolarHBondContact O-CE2 3.44Å; Y96-Y128 VanDerWaalsContact CB-OH 3.22Å; Y96-Y128 WeakPolarHBondContact CB-OH 3.3Å; P97-Y128 WeakPolarHBondContact CD-OH 3.43Å; P97-Y128 HydrophobicContact CG-CE1 3.99Å
129	C	93.4	Very high	87.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	159.6	179.4	-61	0	0	0	0	110.5	V39 Y40 C60 T66	V39-C129 VanDerWaalsContact CA-O 3.32Å; V39-C129 WeakPolarHBondContact CA-O 3.46Å; Y40-C129 HydrophobicContact CD1-CB 4.19Å; Y40-C129 HydrophobicContact CD2-CB 4.01Å; Y40-C129 HydrophobicContact CE1-CB 3.65Å; Y40-C129 HydrophobicContact CE2-CB 3.48Å; Y40-C129 VanDerWaalsContact CE2-CB 3.48Å; Y40-C129 HydrophobicContact CG-CB 4.34Å; Y40-C129 PolarHBondContact N-O 3.26Å; Y40-C129 PolarHBondContact O-N 3.02Å; C60-C129 WeakPolarHBondContact CA-SG 3.34Å; C60-C129 HydrophobicContact CB-CB 3.72Å; C60-C129 WeakPolarHBondContact CB-SG 3.39Å; C60-C129 WeakPolarHBondContact SG-CA 3.32Å; C60-C129 WeakPolarHBondContact SG-CB 3.35Å; C60-C129 CovalentContact SG-SG 2.03Å; C60-C129 PolarHBondContact SG-SG 3.17Å; T66-C129 CarbonylContact O-C 3.51Å; T66-C129 VanDerWaalsContact O-CA 3.31Å; T66-C129 WeakPolarHBondContact O-CA 3.44Å
130	Y	92.7	Very high	87	Confident	38 Å²	38	55.8 Å²	55.8	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.9	172.1	175.5	-105.1	0	0	0	109.4	A37 G38 V39 G65 T66 Q72 P132	A37-Y130 WeakPolarHBondContact O-CE2 3.26Å; G38-Y130 CarbonylContact O-C 3.6Å; G38-Y130 VanDerWaalsContact O-CA 3.27Å; G38-Y130 WeakPolarHBondContact O-CA 3.37Å; V39-Y130 HydrophobicContact CG2-CD2 3.64Å; V39-Y130 HydrophobicContact CG2-CE2 4.37Å; G65-Y130 CarbonylContact C-O 3.56Å; G65-Y130 WeakPolarHBondContact CA-O 3.5Å; T66-Y130 PolarHBondContact N-O 2.87Å; T66-Y130 PolarHBondContact O-N 3.03Å; Q72-Y130 HydrophobicContact CG-CD2 4.3Å; Q72-Y130 HydrophobicContact CG-CE2 4.36Å; Q72-Y130 VanDerWaalsContact NE2-CZ 3.26Å; Y130-P132 HydrophobicContact CE1-CB 4.4Å; Y130-P132 HydrophobicContact CE1-CG 4.16Å
131	N	89.2	Confident	86.8	Confident	20 Å²	20	51.9 Å²	51.9	11%	0.107	28%	0.276	C	S	.	.			trans	-143.7	110.2	168.7	177.6	-4.1	0	0	0	108.4	G38 Y40 E63 N133 S134	G38-N131 VanDerWaalsContact CA-O 3.25Å; G38-N131 WeakPolarHBondContact CA-O 3.37Å; G38-N131 PolarHBondContact O-N 2.83Å; Y40-N131 HydrophobicContact CE1-CB 4.14Å; E63-N131 PolarHBondContact O-ND2 2.01Å; N131-N133 PolarHBondContact O-N 2.87Å; N131-N133 VanDerWaalsContact O-N 3.16Å; N131-N133 WeakPolarHBondContact OD1-CA 3.35Å; N131-N133 PolarHBondContact OD1-N 3Å; N131-S134 WeakPolarHBondContact O-CB 3.37Å; N131-S134 PolarHBondContact O-N 2.78Å; N131-S134 PolarHBondContact O-OG 2.61Å; N131-S134 PolarHBondContact OD1-N 2.65Å
132	P	83.2	Confident	86.8	Confident	76 Å²	76	51.7 Å²	51.7	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	-177.7	28.1	-33.9	0	0	0	113.1	Y130	Y130-P132 HydrophobicContact CE1-CB 4.4Å; Y130-P132 HydrophobicContact CE1-CG 4.16Å
133	N	79.7	Confident	86.8	Confident	137 Å²	137	51.1 Å²	51.1	73%	0.733	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	6.2	175.6	-57.3	-51.3	0	0	0	112	N131 K135	N131-N133 PolarHBondContact O-N 2.87Å; N131-N133 VanDerWaalsContact O-N 3.16Å; N131-N133 WeakPolarHBondContact OD1-CA 3.35Å; N131-N133 PolarHBondContact OD1-N 3Å; N133-K135 PolarHBondContact O-N 2.78Å; N133-K135 VanDerWaalsContact O-N 3.13Å
134	S	70.3	Confident	86.9	Confident	30 Å²	30	52.6 Å²	52.6	21%	0.21	28%	0.281	C	S	.	.			trans	-61.2	122.2	174.9	55.7	0	0	0	0	108.5	N131 E136	N131-S134 WeakPolarHBondContact O-CB 3.37Å; N131-S134 PolarHBondContact O-N 2.78Å; N131-S134 PolarHBondContact O-OG 2.61Å; N131-S134 PolarHBondContact OD1-N 2.65Å; S134-E136 PolarHBondContact O-N 3.01Å
135	K	61.1	Low	86.9	Confident	201 Å²	201	52.4 Å²	52.4	87%	0.874	29%	0.285	S	S	*	.			trans	-79.2	53.4	167.6	-66.9	-175	178.2	-177.2	0	108.6	N133 C137	N133-K135 PolarHBondContact O-N 2.78Å; N133-K135 VanDerWaalsContact O-N 3.13Å; K135-C137 PolarHBondContact O-N 3.09Å
136	E	67.2	Low	86.9	Confident	67 Å²	67	55.4 Å²	55.4	31%	0.313	30%	0.296	S	S	.	.			trans	-66.5	136.2	179.8	-83.4	-143.1	143.4	0	0	111.3	Y40 R42 S134	Y40-E136 WeakPolarHBondContact CB-OE1 3.35Å; Y40-E136 WeakPolarHBondContact CB-OE2 3.09Å; Y40-E136 HydrophobicContact CD1-CG 4.27Å; Y40-E136 WeakPolarHBondContact CD2-OE1 3.38Å; Y40-E136 HydrophobicContact CG-CG 4.31Å; R42-E136 IonicContact CZ-OE1 3.19Å; R42-E136 VanDerWaalsContact CZ-OE1 3.24Å; R42-E136 IonicContact NH1-OE1 3.01Å; R42-E136 PolarHBondContact NH1-OE1 3.37Å; R42-E136 IonicContact NH2-OE1 3.3Å; R42-E136 PolarHBondContact NH2-OE1 3.06Å; S134-E136 PolarHBondContact O-N 3.01Å
137	C	81.6	Confident	87	Confident	22 Å²	22	59 Å²	59	15%	0.149	32%	0.315	C	S	.	.			trans	-83.1	146.7	169	48.6	0	0	0	0	110	K135 P151 C163 W165	K135-C137 PolarHBondContact O-N 3.09Å; C137-P151 HydrophobicContact CB-CB 4.19Å; C137-P151 HydrophobicContact CB-CG 3.54Å; C137-C163 HydrophobicContact CB-CB 3.74Å; C137-C163 WeakPolarHBondContact CB-SG 3.32Å; C137-C163 VanDerWaalsContact SG-CA 3.53Å; C137-C163 WeakPolarHBondContact SG-CB 3.17Å; C137-C163 CovalentContact SG-SG 2.01Å; C137-C163 PolarHBondContact SG-SG 2.8Å; C137-W165 HydrophobicContact CB-CZ2 4.22Å
138	G	85.7	Confident	87	Confident	27 Å²	27	59.2 Å²	59.2	28%	0.278	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.5	-151.8	179.8	0	0	0	0	0	114.4	Y164 W165	G138-Y164 CarbonylContact C-O 3.24Å; G138-Y164 WeakPolarHBondContact CA-O 2.82Å; G138-W165 VanDerWaalsContact CA-CD1 3.44Å; G138-W165 VanDerWaalsContact CA-NE1 3.31Å
139	G	81.7	Confident	87.1	Confident	37 Å²	37	63.1 Å²	63.1	38%	0.381	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.4	178.9	178.5	0	0	0	0	0	113.5	Y164 W165 H166	G139-Y164 PolarHBondContact N-O 2.99Å; G139-W165 WeakPolarHBondContact O-CA 3.44Å; G139-H166 PolarHBondContact O-N 3.38Å
140	T	84.1	Confident	87.2	Confident	45 Å²	45	63.3 Å²	63.3	28%	0.276	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.3	175.7	-60	0	0	0	0	110.5	G80 T142 H166	G80-T140 WeakPolarHBondContact CA-OG1 3.08Å; G80-T140 PolarHBondContact O-OG1 2.73Å; T140-T142 HydrophobicContact CG2-CG2 4.12Å; T140-H166 CarbonylContact C-O 3.53Å; T140-H166 WeakPolarHBondContact CA-O 2.97Å
141	L	90.3	Very high	87.2	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.9	179.8	-45.2	-171.2	0	0	0	109.5	I148 W165 H166 I167 R168 Y246	L141-I148 HydrophobicContact CD1-CD1 3.56Å; L141-I148 HydrophobicContact CD1-CG1 3.78Å; L141-W165 HydrophobicContact CD1-CB 4.36Å; L141-W165 HydrophobicContact CD1-CG 4.45Å; L141-H166 PolarHBondContact N-O 3.01Å; L141-I167 HydrophobicContact CB-CG1 4.47Å; L141-I167 HydrophobicContact CD1-CG1 4.29Å; L141-R168 PolarHBondContact O-N 2.88Å; L141-Y246 HydrophobicContact CB-CE1 3.98Å; L141-Y246 HydrophobicContact CD1-CD1 4.45Å; L141-Y246 HydrophobicContact CD1-CE1 3.75Å
142	T	92	Very high	87.2	Confident	92 Å²	92	64.1 Å²	64.1	56%	0.564	36%	0.356	S	S	*	.			trans	-126.1	0.7	-177.4	61.6	0	0	0	0	113.7	T140 R168	T140-T142 HydrophobicContact CG2-CG2 4.12Å; T142-R168 WeakPolarHBondContact CA-O 3.33Å
143	D	94.6	Very high	87.7	Confident	74 Å²	74	62.8 Å²	62.8	40%	0.396	34%	0.341	S	S	.	.			trans	-62.2	153.7	176.4	-51.3	-73.2	0	0	0	110.2	Q145 R146 Y246	D143-Q145 VanDerWaalsContact C-N 3.25Å; D143-R146 HydrophobicContact CB-CB 4.33Å; D143-R146 IonicContact OD2-NH1 2.71Å; D143-Y246 WeakPolarHBondContact CB-OH 3.48Å; D143-Y246 PolarHBondContact N-OH 3.39Å; D143-Y246 WeakPolarHBondContact O-CE2 3.48Å; D143-Y246 PolarHBondContact O-OH 3.15Å
144	Q	96.5	Very high	88.5	Confident	73 Å²	73	60.9 Å²	60.9	34%	0.341	34%	0.336	S	S	.	.	S	Bend	trans	-75.4	-19.8	174.9	-66.9	-67.7	-77.9	0	0	112.4	I247 A248	Q144-I247 CarbonylContact O-C 3.58Å; Q144-I247 WeakPolarHBondContact O-CA 2.99Å; Q144-A248 HydrophobicContact CB-CB 4.32Å; Q144-A248 WeakPolarHBondContact O-CB 3.25Å; Q144-A248 PolarHBondContact O-N 3.19Å
145	Q	97.4	Very high	89.7	Confident	113 Å²	113	66.2 Å²	66.2	53%	0.528	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	135.6	178.8	178.2	167.1	-6.2	0	0	108.4	D143 E245 Y246 I247	D143-Q145 VanDerWaalsContact C-N 3.25Å; Q145-E245 HydrophobicContact CG-CG 4.39Å; Q145-E245 WeakPolarHBondContact CG-OE1 3.3Å; Q145-E245 PolarHBondContact NE2-OE1 2.98Å; Q145-Y246 VanDerWaalsContact CA-O 3.24Å; Q145-Y246 WeakPolarHBondContact CA-O 3.38Å; Q145-I247 HydrophobicContact CB-CG2 3.74Å; Q145-I247 VanDerWaalsContact CD-CG2 3.5Å; Q145-I247 HydrophobicContact CG-CG2 3.45Å; Q145-I247 VanDerWaalsContact CG-CG2 3.45Å
146	R	97.3	Very high	91.4	Very high	108 Å²	108	62.3 Å²	62.3	41%	0.408	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	144.4	174.8	-178.9	167.1	172.8	-178.7	-4.2	111.9	D143 Y246	D143-R146 HydrophobicContact CB-CB 4.33Å; D143-R146 IonicContact OD2-NH1 2.71Å; R146-Y246 HydrophobicContact CB-CD1 4.14Å; R146-Y246 HydrophobicContact CB-CE1 3.53Å; R146-Y246 HydrophobicContact CG-CE1 4.4Å; R146-Y246 PolarHBondContact N-O 3.11Å; R146-Y246 PolarHBondContact O-N 3.23Å
147	I	97.6	Very high	92.6	Very high	77 Å²	77	59.3 Å²	59.3	40%	0.395	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.5	167.7	-65.4	173.4	0	0	0	109.2	Q149 Q243 M244 E245	I147-Q149 HydrophobicContact CG2-CG 3.98Å; I147-Q243 HydrophobicContact CG2-CG 3.72Å; I147-M244 CarbonylContact C-O 3.55Å; I147-M244 WeakPolarHBondContact CA-O 3.28Å; I147-E245 HydrophobicContact CG1-CB 4.42Å
148	I	97.3	Very high	93.1	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.4	173.5	-55.7	175.8	0	0	0	107.1	L141 W165 I167 L229 F242 Q243 M244 Y246	L141-I148 HydrophobicContact CD1-CD1 3.56Å; L141-I148 HydrophobicContact CD1-CG1 3.78Å; I148-W165 HydrophobicContact CD1-CB 4.49Å; I148-W165 HydrophobicContact CD1-CG 4.46Å; I148-W165 HydrophobicContact CG2-CD2 3.85Å; I148-W165 HydrophobicContact CG2-CE3 4.46Å; I148-W165 HydrophobicContact CG2-CG 4.13Å; I148-W165 HydrophobicContact CG2-CZ2 3.95Å; I148-I167 HydrophobicContact CD1-CD1 3.91Å; I148-I167 HydrophobicContact CD1-CG1 4.39Å; I148-L229 HydrophobicContact CD1-CD1 3.6Å; I148-F242 HydrophobicContact CG2-CE2 4.37Å; I148-Q243 WeakPolarHBondContact O-CA 3.13Å; I148-M244 HydrophobicContact CB-CG 3.88Å; I148-M244 PolarHBondContact N-O 2.88Å; I148-M244 PolarHBondContact O-N 2.8Å; I148-Y246 HydrophobicContact CD1-CD1 3.91Å; I148-Y246 HydrophobicContact CD1-CE1 4.41Å; I148-Y246 HydrophobicContact CG1-CD1 4.33Å
149	Q	96.7	Very high	93.3	Very high	81 Å²	81	66.4 Å²	66.4	38%	0.379	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.7	-179.5	-74.8	166.5	-42.2	0	0	109.6	I147 Y153 F242 Q243	I147-Q149 HydrophobicContact CG2-CG 3.98Å; Q149-Y153 HydrophobicContact CB-CD1 4.37Å; Q149-Y153 HydrophobicContact CB-CG 4.17Å; Q149-Y153 HydrophobicContact CG-CD1 3.92Å; Q149-Y153 HydrophobicContact CG-CG 4.14Å; Q149-Y153 VanDerWaalsContact NE2-CE1 3.28Å; Q149-F242 WeakPolarHBondContact CA-O 3.49Å; Q149-Q243 HydrophobicContact CG-CB 4.07Å; Q149-Q243 HydrophobicContact CG-CG 3.71Å; Q149-Q243 VanDerWaalsContact NE2-CD 3.34Å
150	S	95.7	Very high	93.2	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.028	35%	0.349	C	S	.	.			trans	-58.1	153	167.3	53.4	0	0	0	0	110.6	G152 Y153 G241 F242	S150-G152 PolarHBondContact O-N 2.9Å; S150-Y153 WeakPolarHBondContact O-CB 3.27Å; S150-Y153 PolarHBondContact O-N 2.62Å; S150-G241 WeakPolarHBondContact OG-CA 3.43Å; S150-F242 PolarHBondContact N-O 3.05Å; S150-F242 PolarHBondContact OG-N 3.36Å; S150-F242 VanDerWaalsContact OG-N 3.11Å
151	P	91.4	Very high	93.2	Very high	24 Å²	24	66.9 Å²	66.9	16%	0.156	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	128.5	177.9	-14.1	28.5	0	0	0	110	C137 Y157 Q161 C163	C137-P151 HydrophobicContact CB-CB 4.19Å; C137-P151 HydrophobicContact CB-CG 3.54Å; P151-Y157 WeakPolarHBondContact O-CA 3.45Å; P151-Q161 HydrophobicContact CG-CG 4.4Å; P151-C163 WeakPolarHBondContact CG-SG 3.42Å
152	G	89.6	Confident	92.9	Very high	52 Å²	52	67.6 Å²	67.6	54%	0.536	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.4	178.6	0	0	0	0	0	115.3	S150 E155	S150-G152 PolarHBondContact O-N 2.9Å; G152-E155 CarbonylContact C-O 3.56Å; G152-E155 WeakPolarHBondContact O-CB 3.29Å; G152-E155 PolarHBondContact O-N 3.22Å; G152-E155 VanDerWaalsContact O-N 3.08Å
153	Y	94.1	Very high	92.7	Very high	47 Å²	47	63.2 Å²	63.2	18%	0.184	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	138.1	178.5	-171.9	-83.3	0	0	0	112.3	Q149 S150 E181 Q243	Q149-Y153 HydrophobicContact CB-CD1 4.37Å; Q149-Y153 HydrophobicContact CB-CG 4.17Å; Q149-Y153 HydrophobicContact CG-CD1 3.92Å; Q149-Y153 HydrophobicContact CG-CG 4.14Å; Q149-Y153 VanDerWaalsContact NE2-CE1 3.28Å; S150-Y153 WeakPolarHBondContact O-CB 3.27Å; S150-Y153 PolarHBondContact O-N 2.62Å; Y153-E181 PolarHBondContact OH-OE1 3.04Å; Y153-E181 PolarHBondContact OH-OE2 2.7Å; Y153-Q243 HydrophobicContact CE2-CB 4.3Å; Y153-Q243 PolarHBondContact OH-OE1 2.85Å
154	P	95.5	Very high	92.3	Very high	97 Å²	97	60.7 Å²	60.7	63%	0.63	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.5	5.4	10.4	36.7	-38.1	0	0	0	115.4
155	E	96.2	Very high	92.1	Very high	143 Å²	143	57.9 Å²	57.9	67%	0.668	29%	0.292	S	S	*	.	S	Bend	trans	-77.8	166	170.8	-53.1	-63.4	150.1	0	0	110.3	G152	G152-E155 CarbonylContact C-O 3.56Å; G152-E155 WeakPolarHBondContact O-CB 3.29Å; G152-E155 PolarHBondContact O-N 3.22Å; G152-E155 VanDerWaalsContact O-N 3.08Å
156	E	96.3	Very high	91.7	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-53.8	144.1	174.6	-63.9	175.1	158.7	0	0	111.2	V238 A239	E156-V238 HydrophobicContact CB-CB 4.36Å; E156-V238 HydrophobicContact CB-CG2 3.86Å; E156-V238 HydrophobicContact CG-CG2 4.39Å; E156-V238 WeakPolarHBondContact OE2-CG2 3.5Å; E156-A239 VanDerWaalsContact CA-O 3.25Å; E156-A239 WeakPolarHBondContact CA-O 3.45Å; E156-A239 WeakPolarHBondContact CB-O 3.33Å
157	Y	94	Very high	91.6	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.012	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-67	163.2	173	59.2	-95.7	0	0	0	110.8	P151 E185 D193 F231 V238 A239	P151-Y157 WeakPolarHBondContact O-CA 3.45Å; Y157-E185 PolarHBondContact OH-N 3.38Å; Y157-D193 WeakPolarHBondContact CE2-OD2 3.36Å; Y157-D193 PolarHBondContact OH-OD2 3.1Å; Y157-F231 HydrophobicContact CD1-CZ 4.05Å; Y157-F231 HydrophobicContact CD2-CE1 4.19Å; Y157-F231 AromaticContact CD2-CZ 3.81Å; Y157-F231 HydrophobicContact CD2-CZ 3.81Å; Y157-F231 HydrophobicContact CE1-CZ 4.2Å; Y157-F231 AromaticContact CE2-CZ 3.99Å; Y157-F231 HydrophobicContact CE2-CZ 3.99Å; Y157-F231 HydrophobicContact CG-CE1 4.16Å; Y157-F231 AromaticContact CG-CZ 3.84Å; Y157-F231 HydrophobicContact CG-CZ 3.84Å; Y157-V238 HydrophobicContact CD2-CB 4.1Å; Y157-V238 HydrophobicContact CD2-CG1 3.98Å; Y157-V238 HydrophobicContact CE2-CB 3.9Å; Y157-V238 HydrophobicContact CE2-CG1 3.88Å; Y157-V238 VanDerWaalsContact O-CB 3.23Å; Y157-V238 WeakPolarHBondContact O-CB 3.28Å; Y157-V238 WeakPolarHBondContact O-CG1 3.31Å; Y157-A239 WeakPolarHBondContact CD1-O 3.34Å; Y157-A239 HydrophobicContact CE1-CB 3.88Å; Y157-A239 VanDerWaalsContact CE1-N 3.31Å; Y157-A239 VanDerWaalsContact CE1-O 3.29Å; Y157-A239 WeakPolarHBondContact CE1-O 2.96Å; Y157-A239 VanDerWaalsContact CZ-N 3.32Å; Y157-A239 PolarHBondContact N-O 2.66Å; Y157-A239 PolarHBondContact OH-N 3.14Å
158	Q	91.3	Very high	91.4	Very high	133 Å²	133	49 Å²	49	62%	0.621	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-89.1	157.5	177.1	-62.5	-170.1	-31.3	0	0	111.2	Q161 S233	Q158-Q161 HydrophobicContact CB-CG 4.17Å; Q158-Q161 WeakPolarHBondContact O-CG 3.13Å; Q158-S233 PolarHBondContact O-OG 3.11Å
159	D	89	Confident	91.3	Very high	65 Å²	65	49.1 Å²	49.1	35%	0.348	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	159.8	167	-55.3	-57.4	0	0	0	111	Q161 D234 S236 V238	D159-Q161 VanDerWaalsContact C-N 3.26Å; D159-Q161 PolarHBondContact O-N 3.18Å; D159-Q161 PolarHBondContact O-NE2 3.17Å; D159-Q161 VanDerWaalsContact O-NE2 3.17Å; D159-D234 WeakPolarHBondContact CB-O 3.31Å; D159-S236 VanDerWaalsContact OD1-CA 3.27Å; D159-S236 WeakPolarHBondContact OD1-CA 3.3Å; D159-S236 PolarHBondContact OD1-N 2.79Å; D159-V238 VanDerWaalsContact OD1-CG1 3.24Å; D159-V238 WeakPolarHBondContact OD1-CG1 3.22Å
160	E	81.1	Confident	91.2	Very high	59 Å²	59	53.8 Å²	53.8	28%	0.276	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	30	168.3	-52	177.8	-179.9	0	0	114.1	R45 S233 D234	R45-E160 IonicContact CZ-OE1 3.64Å; R45-E160 IonicContact CZ-OE2 3.76Å; R45-E160 IonicContact NH1-OE1 3.29Å; R45-E160 PolarHBondContact NH1-OE1 3.46Å; R45-E160 IonicContact NH2-OE1 3.89Å; R45-E160 PolarHBondContact NH2-OE1 3.17Å; R45-E160 IonicContact NH2-OE2 2.62Å; R45-E160 PolarHBondContact NH2-OE2 3.44Å; E160-S233 WeakPolarHBondContact CA-O 3.04Å; E160-S233 PolarHBondContact N-OG 3.11Å; E160-D234 WeakPolarHBondContact CA-O 3.4Å; E160-D234 WeakPolarHBondContact CG-O 3.33Å; E160-D234 PolarHBondContact N-O 3.21Å
161	Q	83.9	Confident	91	Very high	34 Å²	34	61.2 Å²	61.2	16%	0.159	29%	0.292	C	S	.	.			trans	-85.6	138.4	176.8	-58.4	-62.2	-65.2	0	0	110.1	P151 Q158 D159 F231 L232 S233	P151-Q161 HydrophobicContact CG-CG 4.4Å; Q158-Q161 HydrophobicContact CB-CG 4.17Å; Q158-Q161 WeakPolarHBondContact O-CG 3.13Å; D159-Q161 VanDerWaalsContact C-N 3.26Å; D159-Q161 PolarHBondContact O-N 3.18Å; D159-Q161 PolarHBondContact O-NE2 3.17Å; D159-Q161 VanDerWaalsContact O-NE2 3.17Å; Q161-F231 HydrophobicContact CB-CD1 4.49Å; Q161-F231 HydrophobicContact CB-CE1 4.33Å; Q161-L232 CarbonylContact O-C 3.47Å; Q161-L232 VanDerWaalsContact O-CA 3.3Å; Q161-L232 WeakPolarHBondContact O-CA 3.29Å; Q161-S233 WeakPolarHBondContact CB-OG 3.38Å; Q161-S233 PolarHBondContact N-OG 3.08Å; Q161-S233 PolarHBondContact O-N 2.87Å
162	I	84.4	Confident	91	Very high	17 Å²	17	62.7 Å²	62.7	9%	0.087	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	106.9	166.7	-51.3	-175.8	0	0	0	107.2	R42 Y164 F231 L232	R42-I162 PolarHBondContact NH1-O 2.87Å; R42-I162 VanDerWaalsContact NH1-O 3.13Å; I162-Y164 HydrophobicContact CG2-CD2 4.08Å; I162-Y164 HydrophobicContact CG2-CE2 3.54Å; I162-F231 CarbonylContact C-O 3.51Å; I162-F231 WeakPolarHBondContact CA-O 3.4Å; I162-L232 HydrophobicContact CD1-CD1 4.26Å; I162-L232 HydrophobicContact CG1-CD1 4.32Å; I162-L232 HydrophobicContact CG1-CG 4.27Å
163	C	87.1	Confident	91.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.1	-177.7	-47	0	0	0	0	110.4	C137 P151 W165 K230 F231	C137-C163 HydrophobicContact CB-CB 3.74Å; C137-C163 WeakPolarHBondContact CB-SG 3.32Å; C137-C163 VanDerWaalsContact SG-CA 3.53Å; C137-C163 WeakPolarHBondContact SG-CB 3.17Å; C137-C163 CovalentContact SG-SG 2.01Å; C137-C163 PolarHBondContact SG-SG 2.8Å; P151-C163 WeakPolarHBondContact CG-SG 3.42Å; C163-W165 HydrophobicContact CB-CE3 4.05Å; C163-W165 HydrophobicContact CB-CH2 3.25Å; C163-W165 HydrophobicContact CB-CZ2 3.91Å; C163-W165 HydrophobicContact CB-CZ3 3.33Å; C163-K230 WeakPolarHBondContact O-CA 3.4Å; C163-F231 HydrophobicContact CB-CB 4.18Å; C163-F231 PolarHBondContact N-O 3.1Å; C163-F231 PolarHBondContact O-N 2.9Å
164	Y	86.9	Confident	91.4	Very high	22 Å²	22	62.5 Å²	62.5	9%	0.086	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.6	174.1	-77.4	-86.6	0	0	0	110.6	E43 G138 G139 I162 D203 T228 L229 K230	E43-Y164 PolarHBondContact OE1-OH 3.17Å; G138-Y164 CarbonylContact C-O 3.24Å; G138-Y164 WeakPolarHBondContact CA-O 2.82Å; G139-Y164 PolarHBondContact N-O 2.99Å; I162-Y164 HydrophobicContact CG2-CD2 4.08Å; I162-Y164 HydrophobicContact CG2-CE2 3.54Å; Y164-D203 HydrophobicContact CE1-CB 4.26Å; Y164-D203 WeakPolarHBondContact CE1-OD2 3.36Å; Y164-D203 PolarHBondContact OH-OD2 2.61Å; Y164-T228 HydrophobicContact CD1-CG2 4.36Å; Y164-L229 WeakPolarHBondContact CA-O 3.49Å; Y164-K230 HydrophobicContact CD1-CB 4.08Å; Y164-K230 HydrophobicContact CD1-CG 4.27Å; Y164-K230 HydrophobicContact CE1-CB 3.81Å; Y164-K230 HydrophobicContact CE1-CD 3.73Å; Y164-K230 HydrophobicContact CE1-CG 3.68Å; Y164-K230 HydrophobicContact CE2-CG 4.45Å; Y164-K230 WeakPolarHBondContact OH-CD 3.36Å; Y164-K230 VanDerWaalsContact OH-CE 3.29Å; Y164-K230 WeakPolarHBondContact OH-CE 3.37Å; Y164-K230 PolarHBondContact OH-NZ 3.45Å
165	W	91.5	Very high	91.5	Very high	13 Å²	13	57.9 Å²	57.9	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.2	169.3	-61.3	-92.7	0	0	0	109.9	C137 G138 G139 L141 I148 C163 T228 L229 F231 F242	C137-W165 HydrophobicContact CB-CZ2 4.22Å; G138-W165 VanDerWaalsContact CA-CD1 3.44Å; G138-W165 VanDerWaalsContact CA-NE1 3.31Å; G139-W165 WeakPolarHBondContact O-CA 3.44Å; L141-W165 HydrophobicContact CD1-CB 4.36Å; L141-W165 HydrophobicContact CD1-CG 4.45Å; I148-W165 HydrophobicContact CD1-CB 4.49Å; I148-W165 HydrophobicContact CD1-CG 4.46Å; I148-W165 HydrophobicContact CG2-CD2 3.85Å; I148-W165 HydrophobicContact CG2-CE3 4.46Å; I148-W165 HydrophobicContact CG2-CG 4.13Å; I148-W165 HydrophobicContact CG2-CZ2 3.95Å; C163-W165 HydrophobicContact CB-CE3 4.05Å; C163-W165 HydrophobicContact CB-CH2 3.25Å; C163-W165 HydrophobicContact CB-CZ2 3.91Å; C163-W165 HydrophobicContact CB-CZ3 3.33Å; W165-T228 WeakPolarHBondContact O-CA 3.38Å; W165-L229 HydrophobicContact CB-CB 4.21Å; W165-L229 HydrophobicContact CB-CD1 4.36Å; W165-L229 HydrophobicContact CB-CG 4.45Å; W165-L229 HydrophobicContact CE3-CB 4.02Å; W165-L229 PolarHBondContact N-O 3.16Å; W165-L229 PolarHBondContact O-N 2.81Å; W165-F231 HydrophobicContact CH2-CB 4.32Å; W165-F231 HydrophobicContact CZ3-CB 3.84Å; W165-F242 HydrophobicContact CH2-CE2 4.26Å; W165-F242 AromaticContact CH2-CZ 3.76Å; W165-F242 HydrophobicContact CH2-CZ 3.76Å; W165-F242 AromaticContact CZ3-CZ 3.95Å; W165-F242 HydrophobicContact CZ3-CZ 3.95Å
166	H	89.9	Confident	91.6	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.023	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	100.8	173.9	-58.1	-72.7	0	0	0	109.2	H82 G139 T140 L141 Y201 T228	H82-H166 PolarHBondContact O-CE1 3.15Å; H82-H166 PolarHBondContact O-NE2 2.91Å; G139-H166 PolarHBondContact O-N 3.38Å; T140-H166 CarbonylContact C-O 3.53Å; T140-H166 WeakPolarHBondContact CA-O 2.97Å; L141-H166 PolarHBondContact N-O 3.01Å; H166-Y201 HydrophobicContact CB-CD2 4.49Å; H166-Y201 HydrophobicContact CB-CE2 3.85Å; H166-T228 PolarHBondContact ND1-OG1 2.85Å
167	I	94.4	Very high	91.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.6	-179.8	-53.1	169.7	0	0	0	108.5	L141 I148 I175 V226 M227 L229 Y246	L141-I167 HydrophobicContact CB-CG1 4.47Å; L141-I167 HydrophobicContact CD1-CG1 4.29Å; I148-I167 HydrophobicContact CD1-CD1 3.91Å; I148-I167 HydrophobicContact CD1-CG1 4.39Å; I167-I175 HydrophobicContact CB-CD1 4.01Å; I167-I175 HydrophobicContact CG2-CD1 3.66Å; I167-I175 HydrophobicContact CG2-CG1 4.11Å; I167-I175 HydrophobicContact CG2-CG2 4.15Å; I167-V226 VanDerWaalsContact O-CA 3.29Å; I167-V226 WeakPolarHBondContact O-CA 3.4Å; I167-M227 HydrophobicContact CB-CB 4.46Å; I167-M227 PolarHBondContact N-O 2.74Å; I167-M227 PolarHBondContact O-N 2.97Å; I167-L229 HydrophobicContact CD1-CD1 4.03Å; I167-L229 HydrophobicContact CD1-CG 4.26Å; I167-Y246 HydrophobicContact CD1-CD1 3.78Å; I167-Y246 HydrophobicContact CD1-CE1 4.32Å; I167-Y246 HydrophobicContact CD1-CG 3.98Å; I167-Y246 HydrophobicContact CG1-CD1 4.2Å; I167-Y246 HydrophobicContact CG1-CE1 4.23Å; I167-Y246 HydrophobicContact CG2-CD1 4.14Å; I167-Y246 HydrophobicContact CG2-CD2 3.69Å; I167-Y246 HydrophobicContact CG2-CE1 3.95Å; I167-Y246 HydrophobicContact CG2-CE2 3.55Å; I167-Y246 HydrophobicContact CG2-CG 4Å
168	R	93.7	Very high	91.9	Very high	107 Å²	107	52.6 Å²	52.6	40%	0.404	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	115	176.7	-178.4	179.4	175.8	-166.7	-1.4	111.1	L141 T142 N225 V226	L141-R168 PolarHBondContact O-N 2.88Å; T142-R168 WeakPolarHBondContact CA-O 3.33Å; R168-N225 WeakPolarHBondContact CA-O 3.2Å; R168-V226 HydrophobicContact CB-CG1 4.48Å; R168-V226 HydrophobicContact CG-CG1 4.22Å
169	V	95.1	Very high	92.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	21%	0.208	C	C	.	.			trans	-103.1	177	174.1	-59.1	0	0	0	0	110.8	Q173 I175 N225 Y246 A248	V169-Q173 HydrophobicContact CB-CB 4.33Å; V169-Q173 HydrophobicContact CG2-CB 3.76Å; V169-I175 HydrophobicContact CB-CG1 4.37Å; V169-I175 HydrophobicContact CG1-CD1 4.47Å; V169-I175 HydrophobicContact CG1-CG1 3.8Å; V169-I175 HydrophobicContact CG2-CD1 4.28Å; V169-I175 HydrophobicContact CG2-CG1 3.65Å; V169-N225 HydrophobicContact CG2-CB 3.82Å; V169-N225 PolarHBondContact N-O 3.37Å; V169-N225 PolarHBondContact O-ND2 3.21Å; V169-Y246 HydrophobicContact CG1-CE2 4.3Å; V169-A248 HydrophobicContact CB-CB 3.96Å; V169-A248 HydrophobicContact CG1-CB 3.63Å
170	R	94.9	Very high	92.6	Very high	179 Å²	179	46.6 Å²	46.6	68%	0.675	21%	0.209	S	C	*	.			trans	-68.6	154	-177	-57.1	178.1	178.2	-177.9	0.6	110.5	G172 Q173 N225	R170-G172 PolarHBondContact O-N 3.2Å; R170-Q173 HydrophobicContact CB-CG 4.33Å; R170-Q173 VanDerWaalsContact CB-OE1 3.25Å; R170-Q173 WeakPolarHBondContact O-CB 3.3Å; R170-Q173 PolarHBondContact O-N 3.31Å; R170-Q173 VanDerWaalsContact O-N 3.08Å; R170-N225 WeakPolarHBondContact O-CB 3.5Å
171	Y	91.2	Very high	93.4	Very high	161 Å²	161	48.6 Å²	48.6	63%	0.631	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	140.7	171.8	-69.1	-69.7	0	0	0	111	Q173	Y171-Q173 VanDerWaalsContact C-N 3.26Å
172	G	90.9	Very high	94.1	Very high	55 Å²	55	47.6 Å²	47.6	57%	0.567	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-7.7	-173.1	0	0	0	0	0	114.3	R170 S251	R170-G172 PolarHBondContact O-N 3.2Å; G172-S251 VanDerWaalsContact O-CB 3.29Å; G172-S251 WeakPolarHBondContact O-CB 3.36Å; G172-S251 PolarHBondContact O-N 2.85Å; G172-S251 VanDerWaalsContact O-N 3.14Å; G172-S251 PolarHBondContact O-OG 3.33Å
173	Q	95.4	Very high	94.8	Very high	20 Å²	20	49.9 Å²	49.9	9%	0.093	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	160	171.3	-56.3	-177.7	-56.2	0	0	111.2	V169 R170 Y171 N225 V249	V169-Q173 HydrophobicContact CB-CB 4.33Å; V169-Q173 HydrophobicContact CG2-CB 3.76Å; R170-Q173 HydrophobicContact CB-CG 4.33Å; R170-Q173 VanDerWaalsContact CB-OE1 3.25Å; R170-Q173 WeakPolarHBondContact O-CB 3.3Å; R170-Q173 PolarHBondContact O-N 3.31Å; R170-Q173 VanDerWaalsContact O-N 3.08Å; Y171-Q173 VanDerWaalsContact C-N 3.26Å; Q173-N225 WeakPolarHBondContact O-CA 3.48Å; Q173-N225 WeakPolarHBondContact O-CB 3.34Å; Q173-V249 CarbonylContact C-O 3.54Å; Q173-V249 VanDerWaalsContact CA-O 3.27Å; Q173-V249 WeakPolarHBondContact CA-O 3.4Å
174	R	96.8	Very high	95.3	Very high	74 Å²	74	50 Å²	50	28%	0.279	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166.9	167.9	-72.7	171.8	171.9	-174.7	8.5	109.5	I221 S222 T223 G224 A248 V249 L254	R174-I221 HydrophobicContact CB-CG2 4.33Å; R174-S222 WeakPolarHBondContact CD-O 2.91Å; R174-S222 VanDerWaalsContact CG-O 3.28Å; R174-S222 WeakPolarHBondContact CG-O 3.18Å; R174-T223 PolarHBondContact NE-O 3.44Å; R174-G224 WeakPolarHBondContact CA-O 3.15Å; R174-A248 CarbonylContact O-C 3.47Å; R174-A248 WeakPolarHBondContact O-CA 3.01Å; R174-V249 HydrophobicContact CB-CG2 3.99Å; R174-V249 PolarHBondContact N-O 2.83Å; R174-V249 WeakPolarHBondContact O-CG2 3.33Å; R174-V249 PolarHBondContact O-N 2.94Å; R174-L254 HydrophobicContact CB-CD1 4.03Å; R174-L254 VanDerWaalsContact CD-CD1 3.46Å; R174-L254 HydrophobicContact CG-CD1 4.33Å
175	I	97.9	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.8	-178.7	-60.1	160.4	0	0	0	106	I167 V169 I221 S222 V226 M227 Y246	I167-I175 HydrophobicContact CB-CD1 4.01Å; I167-I175 HydrophobicContact CG2-CD1 3.66Å; I167-I175 HydrophobicContact CG2-CG1 4.11Å; I167-I175 HydrophobicContact CG2-CG2 4.15Å; V169-I175 HydrophobicContact CB-CG1 4.37Å; V169-I175 HydrophobicContact CG1-CD1 4.47Å; V169-I175 HydrophobicContact CG1-CG1 3.8Å; V169-I175 HydrophobicContact CG2-CD1 4.28Å; V169-I175 HydrophobicContact CG2-CG1 3.65Å; I175-I221 CarbonylContact O-C 3.57Å; I175-I221 WeakPolarHBondContact O-CA 3.34Å; I175-S222 WeakPolarHBondContact CB-OG 3.18Å; I175-S222 PolarHBondContact N-OG 3.16Å; I175-S222 PolarHBondContact O-N 3.26Å; I175-S222 PolarHBondContact O-OG 3.49Å; I175-V226 VanDerWaalsContact CD1-C 3.46Å; I175-M227 HydrophobicContact CB-CE 4.44Å; I175-M227 HydrophobicContact CD1-CB 3.69Å; I175-M227 HydrophobicContact CG2-CE 4.28Å; I175-M227 HydrophobicContact CG2-SD 4.23Å; I175-Y246 HydrophobicContact CG2-CD2 4.16Å; I175-Y246 HydrophobicContact CG2-CG 4.37Å
176	R	97.8	Very high	96.1	Very high	89 Å²	89	56.8 Å²	56.8	34%	0.336	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.5	164.9	174.4	178.5	178.6	-175.8	0.4	107.7	D219 L220 I221 Y246 I247 V249	R176-D219 IonicContact CZ-OD2 3.01Å; R176-D219 VanDerWaalsContact CZ-OD2 3.3Å; R176-D219 IonicContact NE-OD2 3.09Å; R176-D219 PolarHBondContact NE-OD2 2.9Å; R176-D219 IonicContact NH2-OD2 2.78Å; R176-D219 PolarHBondContact NH2-OD2 3.04Å; R176-L220 CarbonylContact C-O 3.58Å; R176-L220 WeakPolarHBondContact CA-O 3.29Å; R176-I221 HydrophobicContact CB-CG1 4.16Å; R176-I221 HydrophobicContact CG-CG1 4.11Å; R176-Y246 CarbonylContact O-C 3.55Å; R176-Y246 VanDerWaalsContact O-CA 3.26Å; R176-Y246 WeakPolarHBondContact O-CA 3.33Å; R176-I247 HydrophobicContact CB-CG1 4.17Å; R176-I247 PolarHBondContact N-O 2.85Å; R176-I247 PolarHBondContact O-N 2.97Å; R176-V249 HydrophobicContact CB-CG1 4.2Å; R176-V249 HydrophobicContact CB-CG2 4.37Å
177	L	98.3	Very high	96.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127	175.2	-168.4	71.6	0	0	0	108.5	F179 I197 D219 L220 M227 L229 M244	L177-F179 HydrophobicContact CD2-CE2 4.08Å; L177-F179 HydrophobicContact CD2-CZ 4.06Å; L177-F179 HydrophobicContact CG-CE2 4.49Å; L177-I197 HydrophobicContact CD2-CD1 3.9Å; L177-D219 WeakPolarHBondContact O-CA 3.17Å; L177-L220 HydrophobicContact CB-CB 4.44Å; L177-L220 PolarHBondContact N-O 2.97Å; L177-L220 PolarHBondContact O-N 3.23Å; L177-M227 HydrophobicContact CB-CE 4.37Å; L177-M227 HydrophobicContact CB-SD 4.09Å; L177-M227 HydrophobicContact CD2-SD 3.98Å; L177-M227 HydrophobicContact CG-SD 4.48Å; L177-L229 HydrophobicContact CD1-CD1 4.44Å; L177-L229 HydrophobicContact CD2-CD2 3.83Å; L177-M244 HydrophobicContact CD1-CG 4.04Å; L177-M244 HydrophobicContact CD1-SD 3.71Å; L177-M244 HydrophobicContact CD2-SD 3.93Å; L177-M244 HydrophobicContact CG-SD 4.1Å
178	H	98	Very high	96.1	Very high	66 Å²	66	66 Å²	66	31%	0.306	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.9	-178	178	51.3	0	0	0	109.5	D219 M244 E245	H178-D219 WeakPolarHBondContact CA-OD1 3.43Å; H178-D219 IonicContact CE1-OD1 3.67Å; H178-D219 IonicContact CG-OD1 3.56Å; H178-D219 IonicContact CG-OD2 3.95Å; H178-D219 IonicContact ND1-OD1 2.66Å; H178-D219 PolarHBondContact ND1-OD1 3.47Å; H178-D219 IonicContact ND1-OD2 3.42Å; H178-D219 PolarHBondContact ND1-OD2 3.11Å; H178-M244 CarbonylContact O-C 3.52Å; H178-M244 VanDerWaalsContact O-CA 3.26Å; H178-M244 WeakPolarHBondContact O-CA 3.45Å; H178-M244 WeakPolarHBondContact O-CB 3.24Å; H178-E245 PolarHBondContact N-O 3.42Å; H178-E245 PolarHBondContact O-N 3.35Å
179	F	98.1	Very high	95.9	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	176.9	-71	-91.9	0	0	0	110.1	L177 F182 L195 I197 L216 P217 M244	L177-F179 HydrophobicContact CD2-CE2 4.08Å; L177-F179 HydrophobicContact CD2-CZ 4.06Å; L177-F179 HydrophobicContact CG-CE2 4.49Å; F179-F182 HydrophobicContact CD1-CD2 4.12Å; F179-F182 HydrophobicContact CE1-CD2 4.14Å; F179-F182 HydrophobicContact CE1-CE2 4.46Å; F179-L195 HydrophobicContact CE1-CD2 3.65Å; F179-L195 HydrophobicContact CZ-CD2 3.97Å; F179-I197 HydrophobicContact CE2-CD1 4.19Å; F179-I197 HydrophobicContact CZ-CD1 3.66Å; F179-L216 HydrophobicContact CB-CD1 3.79Å; F179-L216 HydrophobicContact CB-CG 4.12Å; F179-P217 HydrophobicContact CD1-CB 4.36Å; F179-P217 HydrophobicContact CD1-CG 3.97Å; F179-P217 HydrophobicContact CD2-CB 3.74Å; F179-P217 HydrophobicContact CD2-CG 4.25Å; F179-P217 HydrophobicContact CE1-CB 4.39Å; F179-P217 HydrophobicContact CE1-CG 4Å; F179-P217 HydrophobicContact CE2-CB 3.78Å; F179-P217 HydrophobicContact CE2-CG 4.3Å; F179-P217 HydrophobicContact CG-CB 4.06Å; F179-P217 HydrophobicContact CG-CG 4.1Å; F179-P217 HydrophobicContact CZ-CB 4.13Å; F179-P217 HydrophobicContact CZ-CG 4.18Å; F179-M244 HydrophobicContact CD1-CB 4.27Å; F179-M244 HydrophobicContact CD1-CE 4.5Å; F179-M244 HydrophobicContact CE1-CE 3.86Å; F179-M244 HydrophobicContact CE1-SD 4.3Å
180	L	98.1	Very high	95.9	Very high	69 Å²	69	64.2 Å²	64.2	36%	0.361	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-44.2	177	-60.7	173.3	0	0	0	110.4	Q243 E245	L180-Q243 WeakPolarHBondContact CA-O 3.4Å; L180-Q243 HydrophobicContact CB-CB 4.44Å; L180-Q243 HydrophobicContact CB-CG 4.35Å; L180-Q243 WeakPolarHBondContact CB-O 3.36Å; L180-Q243 HydrophobicContact CD1-CG 4.02Å; L180-Q243 PolarHBondContact N-O 2.69Å; L180-E245 HydrophobicContact CD1-CB 4.3Å
181	E	98.1	Very high	95.7	Very high	100 Å²	100	60.9 Å²	60.9	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.6	176.3	-66	-179.3	-168.1	0	0	109.7	Y153 F242 Q243	Y153-E181 PolarHBondContact OH-OE1 3.04Å; Y153-E181 PolarHBondContact OH-OE2 2.7Å; E181-F242 WeakPolarHBondContact O-CA 3.05Å; E181-F242 WeakPolarHBondContact O-CB 3.48Å; E181-Q243 HydrophobicContact CB-CB 4.38Å; E181-Q243 PolarHBondContact N-O 2.99Å; E181-Q243 PolarHBondContact O-N 2.87Å
182	F	98.4	Very high	95.7	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	120.9	179.2	-166	-98.2	0	0	0	110.7	F179 V184 L195 G213 D214 Y215 L216 P217 G241 F242	F179-F182 HydrophobicContact CD1-CD2 4.12Å; F179-F182 HydrophobicContact CE1-CD2 4.14Å; F179-F182 HydrophobicContact CE1-CE2 4.46Å; F182-V184 HydrophobicContact CE1-CB 4.27Å; F182-V184 HydrophobicContact CE1-CG2 4.23Å; F182-V184 HydrophobicContact CE2-CG2 3.9Å; F182-V184 HydrophobicContact CZ-CB 4.08Å; F182-V184 HydrophobicContact CZ-CG2 3.71Å; F182-L195 HydrophobicContact CE2-CB 4.1Å; F182-L195 HydrophobicContact CE2-CD2 4.03Å; F182-L195 HydrophobicContact CZ-CB 4.41Å; F182-G213 VanDerWaalsContact CD1-O 3.29Å; F182-G213 WeakPolarHBondContact CD1-O 3.5Å; F182-G213 WeakPolarHBondContact CE1-O 3.07Å; F182-D214 CarbonylContact O-C 3.54Å; F182-D214 WeakPolarHBondContact O-CA 3.47Å; F182-Y215 WeakPolarHBondContact CD1-O 3.46Å; F182-L216 HydrophobicContact CB-CD1 4Å; F182-P217 HydrophobicContact CD1-CG 4.19Å; F182-P217 HydrophobicContact CD2-CG 4.24Å; F182-P217 HydrophobicContact CE1-CG 4.44Å; F182-P217 HydrophobicContact CG-CG 4.09Å; F182-G241 CarbonylContact C-O 3.57Å; F182-F242 HydrophobicContact CD2-CB 3.8Å; F182-F242 HydrophobicContact CE2-CB 4.36Å
183	D	98.3	Very high	95.9	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.353	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	96.6	177.5	-179	26.4	0	0	0	108.6	G213 A239 G240 G241	D183-G213 WeakPolarHBondContact CA-O 3.47Å; D183-A239 WeakPolarHBondContact O-CB 3.43Å; D183-G240 WeakPolarHBondContact OD2-CA 3.17Å; D183-G240 PolarHBondContact OD2-N 3.39Å; D183-G241 CarbonylContact C-O 3.4Å; D183-G241 PolarHBondContact N-O 3.39Å; D183-G241 CarbonylContact O-C 3.52Å; D183-G241 WeakPolarHBondContact O-CA 3.31Å; D183-G241 PolarHBondContact O-N 3.07Å; D183-G241 VanDerWaalsContact O-O 3.11Å
184	V	98.3	Very high	96	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-125	147.1	-179.6	173.5	0	0	0	0	107.5	F182 E186 D193 C212 G213 F231 F242	F182-V184 HydrophobicContact CE1-CB 4.27Å; F182-V184 HydrophobicContact CE1-CG2 4.23Å; F182-V184 HydrophobicContact CE2-CG2 3.9Å; F182-V184 HydrophobicContact CZ-CB 4.08Å; F182-V184 HydrophobicContact CZ-CG2 3.71Å; V184-E186 PolarHBondContact O-N 2.85Å; V184-E186 VanDerWaalsContact O-N 3.15Å; V184-D193 HydrophobicContact CG1-CB 3.48Å; V184-D193 VanDerWaalsContact CG1-CB 3.48Å; V184-C212 HydrophobicContact CG1-CB 4.25Å; V184-G213 PolarHBondContact N-O 3.36Å; V184-G213 CarbonylContact O-C 3.42Å; V184-G213 WeakPolarHBondContact O-CA 3.05Å; V184-G213 PolarHBondContact O-N 3.49Å; V184-F231 HydrophobicContact CG1-CE2 4.18Å; V184-F231 HydrophobicContact CG2-CE2 4.18Å; V184-F242 HydrophobicContact CG2-CD1 4.33Å
185	E	97.8	Very high	96	Very high	30 Å²	30	48 Å²	48	14%	0.14	25%	0.253	C	S	.	.			trans	-45.3	125.2	-179.5	-178.2	-168.7	-165.3	0	0	111.6	Y157 S192 D193 C212 V237	Y157-E185 PolarHBondContact OH-N 3.38Å; E185-S192 WeakPolarHBondContact OE2-CB 3.32Å; E185-D193 HydrophobicContact CB-CB 3.95Å; E185-C212 WeakPolarHBondContact O-CB 3.34Å; E185-V237 HydrophobicContact CB-CG1 4.15Å; E185-V237 VanDerWaalsContact CD-CB 3.48Å; E185-V237 HydrophobicContact CG-CB 4.04Å; E185-V237 HydrophobicContact CG-CG1 3.55Å; E185-V237 VanDerWaalsContact OE1-CB 3.32Å; E185-V237 WeakPolarHBondContact OE1-CB 3.33Å
186	E	95.9	Very high	95.9	Very high	149 Å²	149	48.4 Å²	48.4	70%	0.696	26%	0.255	S	S	*	.			trans	-87.3	123.2	177	-163.6	-178	171.4	0	0	110.8	V184	V184-E186 PolarHBondContact O-N 2.85Å; V184-E186 VanDerWaalsContact O-N 3.15Å
187	D	93.9	Very high	95.9	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.219	24%	0.239	C	C	.	.			trans	-130.3	163.4	162.5	78	-21.8	0	0	0	110.9	A189 C190 L191 S192	D187-A189 PolarHBondContact O-N 3.1Å; D187-C190 PolarHBondContact O-N 2.97Å; D187-C190 VanDerWaalsContact OD1-C 3.32Å; D187-C190 WeakPolarHBondContact OD1-CA 3.19Å; D187-C190 PolarHBondContact OD1-N 2.85Å; D187-L191 PolarHBondContact OD1-N 3.48Å; D187-L191 PolarHBondContact OD2-N 3.07Å; D187-S192 PolarHBondContact OD2-N 3.27Å; D187-S192 VanDerWaalsContact OD2-N 3.17Å; D187-S192 PolarHBondContact OD2-OG 2.76Å
188	T	90.6	Very high	95.8	Very high	157 Å²	157	44.9 Å²	44.9	96%	0.963	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.3	-170.9	-48.6	0	0	0	0	113.8
189	A	90.8	Very high	95.7	Very high	60 Å²	60	43.5 Å²	43.5	50%	0.496	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	4.6	-173.6	0	0	0	0	0	113.8	D187 L191	D187-A189 PolarHBondContact O-N 3.1Å; A189-L191 VanDerWaalsContact C-N 3.35Å; A189-L191 HydrophobicContact CB-CD1 3.73Å; A189-L191 HydrophobicContact CB-CG 3.61Å
190	C	93.7	Very high	95.3	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.108	24%	0.24	C	C	.	.	S	Bend	trans	54.8	49.1	-174.8	-140.4	0	0	0	0	111.8	D187 R210 C212	D187-C190 PolarHBondContact O-N 2.97Å; D187-C190 VanDerWaalsContact OD1-C 3.32Å; D187-C190 WeakPolarHBondContact OD1-CA 3.19Å; D187-C190 PolarHBondContact OD1-N 2.85Å; C190-R210 HydrophobicContact CB-CG 4.25Å; C190-R210 WeakPolarHBondContact O-CD 3.31Å; C190-R210 PolarHBondContact O-NH1 2.8Å; C190-C212 WeakPolarHBondContact CA-SG 3.36Å; C190-C212 HydrophobicContact CB-CB 4.29Å; C190-C212 WeakPolarHBondContact CB-SG 3.39Å; C190-C212 WeakPolarHBondContact SG-CB 3.31Å; C190-C212 PolarHBondContact SG-N 2.82Å; C190-C212 CovalentContact SG-SG 2.03Å; C190-C212 PolarHBondContact SG-SG 2.86Å
191	L	90.6	Very high	94.7	Very high	109 Å²	109	41.2 Å²	41.2	57%	0.571	23%	0.226	S	C	*	.			trans	-115.3	-23	-172.6	-61.6	-174.5	0	0	0	114.2	D187 A189	D187-L191 PolarHBondContact OD1-N 3.48Å; D187-L191 PolarHBondContact OD2-N 3.07Å; A189-L191 VanDerWaalsContact C-N 3.35Å; A189-L191 HydrophobicContact CB-CD1 3.73Å; A189-L191 HydrophobicContact CB-CG 3.61Å
192	S	92.3	Very high	94	Very high	24 Å²	24	37.2 Å²	37.2	17%	0.168	21%	0.207	C	C	.	.	S	Bend	trans	-71.3	-83.7	172.8	-54.7	0	0	0	0	109.9	E185 D187	E185-S192 WeakPolarHBondContact OE2-CB 3.32Å; D187-S192 PolarHBondContact OD2-N 3.27Å; D187-S192 VanDerWaalsContact OD2-N 3.17Å; D187-S192 PolarHBondContact OD2-OG 2.76Å
193	D	95.5	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-107.5	140.4	176.1	-61.7	-9.4	0	0	0	110.7	Y157 V184 E185 C212 L232 S233 D234	Y157-D193 WeakPolarHBondContact CE2-OD2 3.36Å; Y157-D193 PolarHBondContact OH-OD2 3.1Å; V184-D193 HydrophobicContact CG1-CB 3.48Å; V184-D193 VanDerWaalsContact CG1-CB 3.48Å; E185-D193 HydrophobicContact CB-CB 3.95Å; D193-C212 WeakPolarHBondContact O-CB 3.44Å; D193-L232 WeakPolarHBondContact CA-O 3.23Å; D193-S233 WeakPolarHBondContact OD1-CA 3.26Å; D193-S233 WeakPolarHBondContact OD1-CB 3.33Å; D193-D234 PolarHBondContact OD1-N 2.88Å
194	F	96.5	Very high	92.5	Very high	14 Å²	14	37.7 Å²	37.7	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	153.2	179.1	54.3	-99.4	0	0	0	113.8	E196 R210 Y211 F231 L232	F194-E196 HydrophobicContact CD2-CG 3.66Å; F194-E196 HydrophobicContact CE2-CG 3.88Å; F194-E196 WeakPolarHBondContact CE2-OE2 3.5Å; F194-R210 HydrophobicContact CB-CG 3.66Å; F194-R210 HydrophobicContact CD2-CG 4.25Å; F194-R210 HydrophobicContact CG-CG 4.03Å; F194-Y211 WeakPolarHBondContact CA-O 3.33Å; F194-F231 WeakPolarHBondContact O-CA 3.35Å; F194-F231 VanDerWaalsContact O-CD2 3.29Å; F194-F231 WeakPolarHBondContact O-CD2 3.45Å; F194-L232 HydrophobicContact CD2-CB 4.32Å; F194-L232 HydrophobicContact CE1-CB 4.34Å; F194-L232 HydrophobicContact CE1-CD2 4.17Å; F194-L232 HydrophobicContact CE2-CB 3.83Å; F194-L232 HydrophobicContact CZ-CB 3.83Å; F194-L232 HydrophobicContact CZ-CD1 4.08Å; F194-L232 HydrophobicContact CZ-CD2 4.26Å; F194-L232 HydrophobicContact CZ-CG 4.28Å; F194-L232 PolarHBondContact N-O 2.76Å; F194-L232 PolarHBondContact O-N 3.13Å
195	L	97.4	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.6	161.3	-179.6	72.5	0	0	0	109.4	F179 F182 I197 R210 Y211 L229 K230 F231 F242 M244	F179-L195 HydrophobicContact CE1-CD2 3.65Å; F179-L195 HydrophobicContact CZ-CD2 3.97Å; F182-L195 HydrophobicContact CE2-CB 4.1Å; F182-L195 HydrophobicContact CE2-CD2 4.03Å; F182-L195 HydrophobicContact CZ-CB 4.41Å; L195-I197 HydrophobicContact CD2-CD1 4.36Å; L195-I197 HydrophobicContact CD2-CG1 4.48Å; L195-I197 HydrophobicContact CG-CG1 4.37Å; L195-R210 CarbonylContact O-C 3.55Å; L195-R210 WeakPolarHBondContact O-CA 3.45Å; L195-Y211 PolarHBondContact N-O 3.35Å; L195-Y211 WeakPolarHBondContact O-CD2 3.3Å; L195-Y211 PolarHBondContact O-N 3.33Å; L195-L229 HydrophobicContact CD1-CB 4.41Å; L195-K230 CarbonylContact C-O 3.53Å; L195-K230 WeakPolarHBondContact CA-O 3.49Å; L195-F231 HydrophobicContact CD1-CB 4.16Å; L195-F242 HydrophobicContact CD1-CE1 4.33Å; L195-F242 HydrophobicContact CD1-CZ 4.22Å; L195-M244 HydrophobicContact CD1-CE 4.37Å; L195-M244 HydrophobicContact CD2-CE 3.47Å; L195-M244 VanDerWaalsContact CD2-CE 3.47Å
196	E	96.5	Very high	91.5	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.4	169.3	-73.3	-179.1	132.1	0	0	111.3	F194 Y198 F207 G209 R210 L229 K230	F194-E196 HydrophobicContact CD2-CG 3.66Å; F194-E196 HydrophobicContact CE2-CG 3.88Å; F194-E196 WeakPolarHBondContact CE2-OE2 3.5Å; E196-Y198 HydrophobicContact CB-CD2 4.47Å; E196-Y198 HydrophobicContact CB-CE2 3.63Å; E196-Y198 VanDerWaalsContact CD-OH 3.26Å; E196-Y198 PolarHBondContact OE2-OH 3.18Å; E196-F207 HydrophobicContact CG-CE2 4.22Å; E196-G209 WeakPolarHBondContact CA-O 3.46Å; E196-R210 HydrophobicContact CG-CB 3.98Å; E196-R210 HydrophobicContact CG-CG 3.78Å; E196-R210 IonicContact OE1-CZ 3.76Å; E196-R210 IonicContact OE1-NE 2.9Å; E196-R210 PolarHBondContact OE1-NE 3.31Å; E196-R210 IonicContact OE1-NH2 2.85Å; E196-R210 PolarHBondContact OE1-NH2 3.24Å; E196-R210 IonicContact OE2-NH2 3.27Å; E196-L229 WeakPolarHBondContact O-CA 3.48Å; E196-K230 HydrophobicContact CB-CB 4.27Å; E196-K230 PolarHBondContact N-O 2.82Å; E196-K230 PolarHBondContact O-N 3.3Å
197	I	97.8	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.1	-179.2	-54.3	174.7	0	0	0	108.7	L177 F179 L195 A208 G209 Y211 L220 M227 L229	L177-I197 HydrophobicContact CD2-CD1 3.9Å; F179-I197 HydrophobicContact CE2-CD1 4.19Å; F179-I197 HydrophobicContact CZ-CD1 3.66Å; L195-I197 HydrophobicContact CD2-CD1 4.36Å; L195-I197 HydrophobicContact CD2-CG1 4.48Å; L195-I197 HydrophobicContact CG-CG1 4.37Å; I197-A208 HydrophobicContact CB-CB 4.34Å; I197-A208 HydrophobicContact CG2-CB 4.2Å; I197-A208 WeakPolarHBondContact O-CB 3.27Å; I197-A208 PolarHBondContact O-N 3.27Å; I197-G209 PolarHBondContact N-O 2.91Å; I197-G209 PolarHBondContact O-N 2.86Å; I197-Y211 HydrophobicContact CB-CE2 4.39Å; I197-Y211 HydrophobicContact CD1-CD2 3.87Å; I197-Y211 HydrophobicContact CD1-CE2 3.43Å; I197-Y211 VanDerWaalsContact CD1-CE2 3.43Å; I197-Y211 HydrophobicContact CG1-CD2 4.24Å; I197-Y211 HydrophobicContact CG1-CE2 3.92Å; I197-L220 HydrophobicContact CB-CD1 4.38Å; I197-L220 HydrophobicContact CD1-CD1 3.5Å; I197-L220 VanDerWaalsContact CD1-CD1 3.5Å; I197-L220 HydrophobicContact CG2-CD1 4.01Å; I197-M227 HydrophobicContact CG2-CG 4.17Å; I197-M227 HydrophobicContact CG2-SD 4.05Å; I197-L229 HydrophobicContact CB-CD2 4.32Å; I197-L229 HydrophobicContact CD1-CD2 4.47Å; I197-L229 HydrophobicContact CG1-CD2 3.91Å; I197-L229 HydrophobicContact CG2-CD2 3.88Å
198	Y	95.9	Very high	91.5	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.2	178.6	-56.8	-95.5	0	0	0	109.3	E196 S200 D202 D203 G206 F207 M227 T228 K230	E196-Y198 HydrophobicContact CB-CD2 4.47Å; E196-Y198 HydrophobicContact CB-CE2 3.63Å; E196-Y198 VanDerWaalsContact CD-OH 3.26Å; E196-Y198 PolarHBondContact OE2-OH 3.18Å; Y198-S200 PolarHBondContact O-N 3.21Å; Y198-D202 VanDerWaalsContact CB-O 3.3Å; Y198-D202 WeakPolarHBondContact CB-O 3.48Å; Y198-D203 HydrophobicContact CD2-CB 4.11Å; Y198-D203 HydrophobicContact CE1-CB 4.33Å; Y198-D203 WeakPolarHBondContact CE1-O 3.29Å; Y198-D203 HydrophobicContact CE2-CB 3.77Å; Y198-G206 CarbonylContact C-O 3.41Å; Y198-G206 VanDerWaalsContact CA-O 3.32Å; Y198-G206 WeakPolarHBondContact CA-O 3.34Å; Y198-F207 HydrophobicContact CD1-CB 4.13Å; Y198-F207 HydrophobicContact CD1-CD2 4.27Å; Y198-F207 HydrophobicContact CE1-CB 4.13Å; Y198-F207 AromaticContact CE1-CD2 3.74Å; Y198-F207 HydrophobicContact CE1-CD2 3.74Å; Y198-F207 HydrophobicContact CE1-CG 4.44Å; Y198-M227 CarbonylContact O-C 3.58Å; Y198-M227 WeakPolarHBondContact O-CA 3.41Å; Y198-M227 WeakPolarHBondContact O-CG 3.39Å; Y198-T228 PolarHBondContact N-O 3.14Å; Y198-T228 PolarHBondContact O-N 3.08Å; Y198-K230 HydrophobicContact CE2-CB 4.31Å
199	D	95.3	Very high	91.7	Very high	37 Å²	37	31.3 Å²	31.3	20%	0.198	19%	0.19	C	C	.	.	S	Bend	trans	-77.2	49.5	168.7	-172.2	22.4	0	0	0	111.1	G206 S222 T223	D199-G206 PolarHBondContact N-O 2.87Å; D199-S222 VanDerWaalsContact OD1-CA 3.25Å; D199-S222 WeakPolarHBondContact OD1-CA 2.92Å; D199-S222 WeakPolarHBondContact OD1-CB 3.45Å; D199-T223 VanDerWaalsContact CG-N 3.33Å; D199-T223 PolarHBondContact OD1-N 3.35Å; D199-T223 WeakPolarHBondContact OD2-CB 3.46Å; D199-T223 WeakPolarHBondContact OD2-CG2 3.39Å; D199-T223 PolarHBondContact OD2-N 2.86Å; D199-T223 PolarHBondContact OD2-OG1 2.93Å
200	S	90.8	Very high	92	Very high	11 Å²	11	32.6 Å²	32.6	8%	0.077	18%	0.182	C	C	.	.	S	Bend	trans	-155.2	174.6	176.3	88.4	0	0	0	0	109.7	Y198 D202 S205 M227 T228	Y198-S200 PolarHBondContact O-N 3.21Å; S200-D202 PolarHBondContact OG-N 3.17Å; S200-D202 VanDerWaalsContact OG-N 3.11Å; S200-D202 PolarHBondContact OG-O 3.48Å; S200-D202 PolarHBondContact OG-OD1 3.4Å; S200-S205 WeakPolarHBondContact CB-O 3.36Å; S200-S205 WeakPolarHBondContact CB-OG 3.27Å; S200-S205 PolarHBondContact OG-O 2.03Å; S200-S205 PolarHBondContact OG-OG 2.86Å; S200-M227 CarbonylContact O-C 3.54Å; S200-T228 PolarHBondContact O-N 2.75Å; S200-T228 VanDerWaalsContact O-N 3.15Å; S200-T228 PolarHBondContact O-OG1 3.07Å
201	Y	85.2	Confident	92.2	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.055	19%	0.187	C	C	.	.	S	Bend	trans	-84.1	-2.5	176.1	-162.1	-105.3	0	0	0	112.5	G80 H82 V99 K100 H166 V226 T228	G80-Y201 PolarHBondContact O-OH 2.98Å; G80-Y201 VanDerWaalsContact O-OH 3.07Å; H82-Y201 HydrophobicContact CB-CD1 3.83Å; H82-Y201 HydrophobicContact CB-CE1 3.31Å; H82-Y201 AromaticContact CD2-CD1 3.59Å; H82-Y201 PolarHBondContact CD2-O 2.79Å; H82-Y201 AromaticContact CG-CD1 3.49Å; H82-Y201 VanDerWaalsContact CG-CD1 3.49Å; H82-Y201 AromaticContact CG-CE1 3.5Å; H82-Y201 AromaticContact ND1-CD1 3.86Å; H82-Y201 AromaticContact ND1-CE1 3.96Å; V99-Y201 HydrophobicContact CB-CE1 3.92Å; V99-Y201 HydrophobicContact CG1-CE1 4.31Å; V99-Y201 HydrophobicContact CG2-CE1 4.39Å; K100-Y201 HydrophobicContact CB-CD1 4.43Å; H166-Y201 HydrophobicContact CB-CD2 4.49Å; H166-Y201 HydrophobicContact CB-CE2 3.85Å; Y201-V226 HydrophobicContact CD2-CB 4.07Å; Y201-V226 HydrophobicContact CD2-CG1 3.82Å; Y201-V226 HydrophobicContact CG-CG1 4.48Å; Y201-T228 PolarHBondContact O-OG1 3.17Å
202	D	82.8	Confident	92.5	Very high	15 Å²	15	30.4 Å²	30.4	8%	0.08	17%	0.168	C	C	.	.	S	Bend	trans	-124.3	172.4	-179.7	58.1	67.8	0	0	0	112.2	C84 Y198 S200 I204 S205	C84-D202 HydrophobicContact CB-CB 4.28Å; C84-D202 WeakPolarHBondContact SG-CB 3.3Å; Y198-D202 VanDerWaalsContact CB-O 3.3Å; Y198-D202 WeakPolarHBondContact CB-O 3.48Å; S200-D202 PolarHBondContact OG-N 3.17Å; S200-D202 VanDerWaalsContact OG-N 3.11Å; S200-D202 PolarHBondContact OG-O 3.48Å; S200-D202 PolarHBondContact OG-OD1 3.4Å; D202-I204 PolarHBondContact OD1-N 3.42Å; D202-I204 VanDerWaalsContact OD1-N 3.1Å; D202-S205 WeakPolarHBondContact OD1-CB 3.35Å; D202-S205 PolarHBondContact OD1-N 2.85Å; D202-S205 PolarHBondContact OD1-OG 3.34Å; D202-S205 PolarHBondContact OD2-OG 3.45Å
203	D	80.8	Confident	92.8	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	-105	28	177.7	63.8	9.1	0	0	0	112.5	R48 Y164 Y198	R48-D203 IonicContact CZ-OD1 3.27Å; R48-D203 IonicContact CZ-OD2 3.91Å; R48-D203 IonicContact NH1-OD1 3.04Å; R48-D203 PolarHBondContact NH1-OD1 1.98Å; R48-D203 IonicContact NH2-OD1 2.9Å; R48-D203 PolarHBondContact NH2-OD1 3.35Å; R48-D203 VanDerWaalsContact NH2-OD1 3.07Å; R48-D203 IonicContact NH2-OD2 3.48Å; R48-D203 PolarHBondContact NH2-OD2 2.9Å; Y164-D203 HydrophobicContact CE1-CB 4.26Å; Y164-D203 WeakPolarHBondContact CE1-OD2 3.36Å; Y164-D203 PolarHBondContact OH-OD2 2.61Å; Y198-D203 HydrophobicContact CD2-CB 4.11Å; Y198-D203 HydrophobicContact CE1-CB 4.33Å; Y198-D203 WeakPolarHBondContact CE1-O 3.29Å; Y198-D203 HydrophobicContact CE2-CB 3.77Å
204	I	83.4	Confident	92.9	Very high	80 Å²	80	35 Å²	35	41%	0.41	19%	0.192	S	C	.	.	S	Bend	trans	-119.9	-34.1	178.9	-58.5	-170.5	0	0	0	111.4	C84 D202	C84-I204 HydrophobicContact CB-CD1 3.25Å; C84-I204 HydrophobicContact CB-CG1 3.73Å; C84-I204 VanDerWaalsContact O-CD1 3.31Å; C84-I204 WeakPolarHBondContact O-CD1 3.34Å; D202-I204 PolarHBondContact OD1-N 3.42Å; D202-I204 VanDerWaalsContact OD1-N 3.1Å
205	S	84.8	Confident	92.9	Very high	33 Å²	33	42.5 Å²	42.5	23%	0.231	22%	0.221	C	C	.	.	S	Bend	trans	-115.8	156.9	-177.8	68.2	0	0	0	0	111.6	S200 D202 F207	S200-S205 WeakPolarHBondContact CB-O 3.36Å; S200-S205 WeakPolarHBondContact CB-OG 3.27Å; S200-S205 PolarHBondContact OG-O 2.03Å; S200-S205 PolarHBondContact OG-OG 2.86Å; D202-S205 WeakPolarHBondContact OD1-CB 3.35Å; D202-S205 PolarHBondContact OD1-N 2.85Å; D202-S205 PolarHBondContact OD1-OG 3.34Å; D202-S205 PolarHBondContact OD2-OG 3.45Å; S205-F207 VanDerWaalsContact C-N 3.31Å; S205-F207 PolarHBondContact O-N 3.13Å
206	G	90.3	Very high	92.9	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	24%	0.241	S	C	.	.			trans	67.8	26.6	176.4	0	0	0	0	0	114.2	Y198 D199 A208	Y198-G206 CarbonylContact C-O 3.41Å; Y198-G206 VanDerWaalsContact CA-O 3.32Å; Y198-G206 WeakPolarHBondContact CA-O 3.34Å; D199-G206 PolarHBondContact N-O 2.87Å; G206-A208 PolarHBondContact O-N 3.44Å
207	F	94.4	Very high	93	Very high	117 Å²	117	46.3 Å²	46.3	51%	0.513	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	117.5	174.6	179.4	-100.7	0	0	0	110.4	E196 Y198 S205 G209 R210	E196-F207 HydrophobicContact CG-CE2 4.22Å; Y198-F207 HydrophobicContact CD1-CB 4.13Å; Y198-F207 HydrophobicContact CD1-CD2 4.27Å; Y198-F207 HydrophobicContact CE1-CB 4.13Å; Y198-F207 AromaticContact CE1-CD2 3.74Å; Y198-F207 HydrophobicContact CE1-CD2 3.74Å; Y198-F207 HydrophobicContact CE1-CG 4.44Å; S205-F207 VanDerWaalsContact C-N 3.31Å; S205-F207 PolarHBondContact O-N 3.13Å; F207-G209 VanDerWaalsContact CZ-C 3.42Å; F207-R210 HydrophobicContact CE2-CB 4.24Å; F207-R210 HydrophobicContact CZ-CB 3.9Å
208	A	96.1	Very high	92.9	Very high	48 Å²	48	52.2 Å²	52.2	40%	0.397	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-35.6	-178	0	0	0	0	0	111.2	I197 G206	I197-A208 HydrophobicContact CB-CB 4.34Å; I197-A208 HydrophobicContact CG2-CB 4.2Å; I197-A208 WeakPolarHBondContact O-CB 3.27Å; I197-A208 PolarHBondContact O-N 3.27Å; G206-A208 PolarHBondContact O-N 3.44Å
209	G	95.4	Very high	92.9	Very high	9 Å²	9	54.2 Å²	54.2	9%	0.093	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	167.9	176.8	0	0	0	0	0	113.2	E196 I197 F207	E196-G209 WeakPolarHBondContact CA-O 3.46Å; I197-G209 PolarHBondContact N-O 2.91Å; I197-G209 PolarHBondContact O-N 2.86Å; F207-G209 VanDerWaalsContact CZ-C 3.42Å
210	R	96.8	Very high	93	Very high	86 Å²	86	54.3 Å²	54.3	33%	0.325	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.5	171.7	-175.7	-178.4	-65.1	-168.4	-6.5	108.4	C190 F194 L195 E196 F207	C190-R210 HydrophobicContact CB-CG 4.25Å; C190-R210 WeakPolarHBondContact O-CD 3.31Å; C190-R210 PolarHBondContact O-NH1 2.8Å; F194-R210 HydrophobicContact CB-CG 3.66Å; F194-R210 HydrophobicContact CD2-CG 4.25Å; F194-R210 HydrophobicContact CG-CG 4.03Å; L195-R210 CarbonylContact O-C 3.55Å; L195-R210 WeakPolarHBondContact O-CA 3.45Å; E196-R210 HydrophobicContact CG-CB 3.98Å; E196-R210 HydrophobicContact CG-CG 3.78Å; E196-R210 IonicContact OE1-CZ 3.76Å; E196-R210 IonicContact OE1-NE 2.9Å; E196-R210 PolarHBondContact OE1-NE 3.31Å; E196-R210 IonicContact OE1-NH2 2.85Å; E196-R210 PolarHBondContact OE1-NH2 3.24Å; E196-R210 IonicContact OE2-NH2 3.27Å; F207-R210 HydrophobicContact CE2-CB 4.24Å; F207-R210 HydrophobicContact CZ-CB 3.9Å
211	Y	97.6	Very high	93.2	Very high	51 Å²	51	57.5 Å²	57.5	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.4	-170.3	-51.5	-87	0	0	0	110.9	F194 L195 I197 P217	F194-Y211 WeakPolarHBondContact CA-O 3.33Å; L195-Y211 PolarHBondContact N-O 3.35Å; L195-Y211 WeakPolarHBondContact O-CD2 3.3Å; L195-Y211 PolarHBondContact O-N 3.33Å; I197-Y211 HydrophobicContact CB-CE2 4.39Å; I197-Y211 HydrophobicContact CD1-CD2 3.87Å; I197-Y211 HydrophobicContact CD1-CE2 3.43Å; I197-Y211 VanDerWaalsContact CD1-CE2 3.43Å; I197-Y211 HydrophobicContact CG1-CD2 4.24Å; I197-Y211 HydrophobicContact CG1-CE2 3.92Å; Y211-P217 HydrophobicContact CD1-CB 3.72Å; Y211-P217 HydrophobicContact CD1-CG 3.75Å; Y211-P217 HydrophobicContact CE1-CB 3.86Å; Y211-P217 HydrophobicContact CE1-CG 4.4Å; Y211-P217 HydrophobicContact CG-CB 4.35Å; Y211-P217 HydrophobicContact CG-CG 4.05Å
212	C	97.7	Very high	93.8	Very high	28 Å²	28	56.9 Å²	56.9	19%	0.189	30%	0.299	C	S	.	.			trans	-158.6	174.1	175.4	50.5	0	0	0	0	108.6	V184 E185 C190 D193	V184-C212 HydrophobicContact CG1-CB 4.25Å; E185-C212 WeakPolarHBondContact O-CB 3.34Å; C190-C212 WeakPolarHBondContact CA-SG 3.36Å; C190-C212 HydrophobicContact CB-CB 4.29Å; C190-C212 WeakPolarHBondContact CB-SG 3.39Å; C190-C212 WeakPolarHBondContact SG-CB 3.31Å; C190-C212 PolarHBondContact SG-N 2.82Å; C190-C212 CovalentContact SG-SG 2.03Å; C190-C212 PolarHBondContact SG-SG 2.86Å; D193-C212 WeakPolarHBondContact O-CB 3.44Å
213	G	97.9	Very high	94.3	Very high	4 Å²	4	61 Å²	61	4%	0.041	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	79.6	-166.1	-170.1	0	0	0	0	0	113	F182 D183 V184	F182-G213 VanDerWaalsContact CD1-O 3.29Å; F182-G213 WeakPolarHBondContact CD1-O 3.5Å; F182-G213 WeakPolarHBondContact CE1-O 3.07Å; D183-G213 WeakPolarHBondContact CA-O 3.47Å; V184-G213 PolarHBondContact N-O 3.36Å; V184-G213 CarbonylContact O-C 3.42Å; V184-G213 WeakPolarHBondContact O-CA 3.05Å; V184-G213 PolarHBondContact O-N 3.49Å
214	D	97.7	Very high	95	Very high	117 Å²	117	61.7 Å²	61.7	63%	0.626	33%	0.334	S	S	*	.	S	Bend	trans	-104.6	2	-176.6	68.2	-8.1	0	0	0	113.4	F182 L216	F182-D214 CarbonylContact O-C 3.54Å; F182-D214 WeakPolarHBondContact O-CA 3.47Å; D214-L216 PolarHBondContact O-N 2.96Å
215	Y	97	Very high	95.5	Very high	171 Å²	171	58.9 Å²	58.9	67%	0.671	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-74.8	120	176.9	-176.6	-93.5	0	0	0	110.5	F182 P217	F182-Y215 WeakPolarHBondContact CD1-O 3.46Å; Y215-P217 WeakPolarHBondContact O-CD 3.22Å
216	L	97.6	Very high	95.9	Very high	81 Å²	81	58 Å²	58	42%	0.424	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.9	116.9	179.1	-165.6	72.4	0	0	0	111.1	F179 F182 D214	F179-L216 HydrophobicContact CB-CD1 3.79Å; F179-L216 HydrophobicContact CB-CG 4.12Å; F182-L216 HydrophobicContact CB-CD1 4Å; D214-L216 PolarHBondContact O-N 2.96Å
217	P	96.9	Very high	96.2	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.058	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.7	154	-179.4	-20.7	33.4	0	0	0	113.3	F179 F182 Y211 Y215	F179-P217 HydrophobicContact CD1-CB 4.36Å; F179-P217 HydrophobicContact CD1-CG 3.97Å; F179-P217 HydrophobicContact CD2-CB 3.74Å; F179-P217 HydrophobicContact CD2-CG 4.25Å; F179-P217 HydrophobicContact CE1-CB 4.39Å; F179-P217 HydrophobicContact CE1-CG 4Å; F179-P217 HydrophobicContact CE2-CB 3.78Å; F179-P217 HydrophobicContact CE2-CG 4.3Å; F179-P217 HydrophobicContact CG-CB 4.06Å; F179-P217 HydrophobicContact CG-CG 4.1Å; F179-P217 HydrophobicContact CZ-CB 4.13Å; F179-P217 HydrophobicContact CZ-CG 4.18Å; F182-P217 HydrophobicContact CD1-CG 4.19Å; F182-P217 HydrophobicContact CD2-CG 4.24Å; F182-P217 HydrophobicContact CE1-CG 4.44Å; F182-P217 HydrophobicContact CG-CG 4.09Å; Y211-P217 HydrophobicContact CD1-CB 3.72Å; Y211-P217 HydrophobicContact CD1-CG 3.75Å; Y211-P217 HydrophobicContact CE1-CB 3.86Å; Y211-P217 HydrophobicContact CE1-CG 4.4Å; Y211-P217 HydrophobicContact CG-CB 4.35Å; Y211-P217 HydrophobicContact CG-CG 4.05Å; Y215-P217 WeakPolarHBondContact O-CD 3.22Å
218	D	96.8	Very high	96.1	Very high	123 Å²	123	50.8 Å²	50.8	66%	0.658	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-68.3	154.8	174.6	-70.6	-36.1	0	0	0	112.3
219	D	95.4	Very high	96.1	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-59.5	138	173.1	-80.1	18.9	0	0	0	112.1	R176 L177 H178	R176-D219 IonicContact CZ-OD2 3.01Å; R176-D219 VanDerWaalsContact CZ-OD2 3.3Å; R176-D219 IonicContact NE-OD2 3.09Å; R176-D219 PolarHBondContact NE-OD2 2.9Å; R176-D219 IonicContact NH2-OD2 2.78Å; R176-D219 PolarHBondContact NH2-OD2 3.04Å; L177-D219 WeakPolarHBondContact O-CA 3.17Å; H178-D219 WeakPolarHBondContact CA-OD1 3.43Å; H178-D219 IonicContact CE1-OD1 3.67Å; H178-D219 IonicContact CG-OD1 3.56Å; H178-D219 IonicContact CG-OD2 3.95Å; H178-D219 IonicContact ND1-OD1 2.66Å; H178-D219 PolarHBondContact ND1-OD1 3.47Å; H178-D219 IonicContact ND1-OD2 3.42Å; H178-D219 PolarHBondContact ND1-OD2 3.11Å
220	L	96.9	Very high	96	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.4	177	-66	166.9	0	0	0	110.5	R176 L177 I197	R176-L220 CarbonylContact C-O 3.58Å; R176-L220 WeakPolarHBondContact CA-O 3.29Å; L177-L220 HydrophobicContact CB-CB 4.44Å; L177-L220 PolarHBondContact N-O 2.97Å; L177-L220 PolarHBondContact O-N 3.23Å; I197-L220 HydrophobicContact CB-CD1 4.38Å; I197-L220 HydrophobicContact CD1-CD1 3.5Å; I197-L220 VanDerWaalsContact CD1-CD1 3.5Å; I197-L220 HydrophobicContact CG2-CD1 4.01Å
221	I	96.5	Very high	95.9	Very high	78 Å²	78	44.3 Å²	44.3	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.2	173.3	-58	178.3	0	0	0	108	R174 I175 R176 L254	R174-I221 HydrophobicContact CB-CG2 4.33Å; I175-I221 CarbonylContact O-C 3.57Å; I175-I221 WeakPolarHBondContact O-CA 3.34Å; R176-I221 HydrophobicContact CB-CG1 4.16Å; R176-I221 HydrophobicContact CG-CG1 4.11Å; I221-L254 HydrophobicContact CD1-CD2 3.82Å; I221-L254 HydrophobicContact CG2-CD1 3.77Å; I221-L254 HydrophobicContact CG2-CD2 4.39Å
222	S	96.7	Very high	95.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.232	C	C	.	.			trans	-62.2	150.9	177.6	63.4	0	0	0	0	111.8	R174 I175 D199 G224	R174-S222 WeakPolarHBondContact CD-O 2.91Å; R174-S222 VanDerWaalsContact CG-O 3.28Å; R174-S222 WeakPolarHBondContact CG-O 3.18Å; I175-S222 WeakPolarHBondContact CB-OG 3.18Å; I175-S222 PolarHBondContact N-OG 3.16Å; I175-S222 PolarHBondContact O-N 3.26Å; I175-S222 PolarHBondContact O-OG 3.49Å; D199-S222 VanDerWaalsContact OD1-CA 3.25Å; D199-S222 WeakPolarHBondContact OD1-CA 2.92Å; D199-S222 WeakPolarHBondContact OD1-CB 3.45Å; S222-G224 VanDerWaalsContact C-N 3.35Å; S222-G224 WeakPolarHBondContact CB-O 3.41Å; S222-G224 PolarHBondContact OG-O 3.32Å
223	T	94.4	Very high	95.4	Very high	100 Å²	100	42.3 Å²	42.3	61%	0.613	23%	0.225	S	C	*	.	S	Bend	trans	-74.8	-30.5	171.8	58.1	0	0	0	0	111.7	R174 D199	R174-T223 PolarHBondContact NE-O 3.44Å; D199-T223 VanDerWaalsContact CG-N 3.33Å; D199-T223 PolarHBondContact OD1-N 3.35Å; D199-T223 WeakPolarHBondContact OD2-CB 3.46Å; D199-T223 WeakPolarHBondContact OD2-CG2 3.39Å; D199-T223 PolarHBondContact OD2-N 2.86Å; D199-T223 PolarHBondContact OD2-OG1 2.93Å
224	G	93.6	Very high	94.9	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	24%	0.235	S	C	.	.	S	Bend	trans	-120.9	-163.5	-178.8	0	0	0	0	0	114	R174 S222 V226	R174-G224 WeakPolarHBondContact CA-O 3.15Å; S222-G224 VanDerWaalsContact C-N 3.35Å; S222-G224 WeakPolarHBondContact CB-O 3.41Å; S222-G224 PolarHBondContact OG-O 3.32Å; G224-V226 VanDerWaalsContact C-N 3.35Å
225	N	94.3	Very high	94.4	Very high	20 Å²	20	41 Å²	41	11%	0.107	22%	0.223	C	C	.	.	S	Bend	trans	-95.9	16.6	-177.6	72.4	-64.4	0	0	0	113.5	R168 V169 R170 Q173	R168-N225 WeakPolarHBondContact CA-O 3.2Å; V169-N225 HydrophobicContact CG2-CB 3.82Å; V169-N225 PolarHBondContact N-O 3.37Å; V169-N225 PolarHBondContact O-ND2 3.21Å; R170-N225 WeakPolarHBondContact O-CB 3.5Å; Q173-N225 WeakPolarHBondContact O-CA 3.48Å; Q173-N225 WeakPolarHBondContact O-CB 3.34Å
226	V	93.4	Very high	94.1	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.4	-178.1	-66.3	0	0	0	0	110.2	I167 R168 I175 Y201 G224	I167-V226 VanDerWaalsContact O-CA 3.29Å; I167-V226 WeakPolarHBondContact O-CA 3.4Å; R168-V226 HydrophobicContact CB-CG1 4.48Å; R168-V226 HydrophobicContact CG-CG1 4.22Å; I175-V226 VanDerWaalsContact CD1-C 3.46Å; Y201-V226 HydrophobicContact CD2-CB 4.07Å; Y201-V226 HydrophobicContact CD2-CG1 3.82Å; Y201-V226 HydrophobicContact CG-CG1 4.48Å; G224-V226 VanDerWaalsContact C-N 3.35Å
227	M	95.9	Very high	93.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	141.6	174.3	-178.9	-178	-75.1	0	0	108.3	I167 I175 L177 I197 Y198 S200 L229	I167-M227 HydrophobicContact CB-CB 4.46Å; I167-M227 PolarHBondContact N-O 2.74Å; I167-M227 PolarHBondContact O-N 2.97Å; I175-M227 HydrophobicContact CB-CE 4.44Å; I175-M227 HydrophobicContact CD1-CB 3.69Å; I175-M227 HydrophobicContact CG2-CE 4.28Å; I175-M227 HydrophobicContact CG2-SD 4.23Å; L177-M227 HydrophobicContact CB-CE 4.37Å; L177-M227 HydrophobicContact CB-SD 4.09Å; L177-M227 HydrophobicContact CD2-SD 3.98Å; L177-M227 HydrophobicContact CG-SD 4.48Å; I197-M227 HydrophobicContact CG2-CG 4.17Å; I197-M227 HydrophobicContact CG2-SD 4.05Å; Y198-M227 CarbonylContact O-C 3.58Å; Y198-M227 WeakPolarHBondContact O-CA 3.41Å; Y198-M227 WeakPolarHBondContact O-CG 3.39Å; S200-M227 CarbonylContact O-C 3.54Å; M227-L229 HydrophobicContact CG-CD2 4.21Å; M227-L229 HydrophobicContact SD-CD2 4.07Å
228	T	93.9	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.5	176.8	-59.3	0	0	0	0	110	Y164 W165 H166 Y198 S200 Y201	Y164-T228 HydrophobicContact CD1-CG2 4.36Å; W165-T228 WeakPolarHBondContact O-CA 3.38Å; H166-T228 PolarHBondContact ND1-OG1 2.85Å; Y198-T228 PolarHBondContact N-O 3.14Å; Y198-T228 PolarHBondContact O-N 3.08Å; S200-T228 PolarHBondContact O-N 2.75Å; S200-T228 VanDerWaalsContact O-N 3.15Å; S200-T228 PolarHBondContact O-OG1 3.07Å; Y201-T228 PolarHBondContact O-OG1 3.17Å
229	L	96.1	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	173.6	-47.1	178.7	0	0	0	108.5	I148 Y164 W165 I167 L177 L195 E196 I197 M227 M244	I148-L229 HydrophobicContact CD1-CD1 3.6Å; Y164-L229 WeakPolarHBondContact CA-O 3.49Å; W165-L229 HydrophobicContact CB-CB 4.21Å; W165-L229 HydrophobicContact CB-CD1 4.36Å; W165-L229 HydrophobicContact CB-CG 4.45Å; W165-L229 HydrophobicContact CE3-CB 4.02Å; W165-L229 PolarHBondContact N-O 3.16Å; W165-L229 PolarHBondContact O-N 2.81Å; I167-L229 HydrophobicContact CD1-CD1 4.03Å; I167-L229 HydrophobicContact CD1-CG 4.26Å; L177-L229 HydrophobicContact CD1-CD1 4.44Å; L177-L229 HydrophobicContact CD2-CD2 3.83Å; L195-L229 HydrophobicContact CD1-CB 4.41Å; E196-L229 WeakPolarHBondContact O-CA 3.48Å; I197-L229 HydrophobicContact CB-CD2 4.32Å; I197-L229 HydrophobicContact CD1-CD2 4.47Å; I197-L229 HydrophobicContact CG1-CD2 3.91Å; I197-L229 HydrophobicContact CG2-CD2 3.88Å; M227-L229 HydrophobicContact CG-CD2 4.21Å; M227-L229 HydrophobicContact SD-CD2 4.07Å; L229-M244 HydrophobicContact CD1-SD 3.57Å; L229-M244 VanDerWaalsContact CD1-SD 3.57Å
230	K	93.2	Very high	93.9	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115	175.7	175.2	-177.3	178.3	173.5	0	108.7	E43 C163 Y164 L195 E196 Y198	E43-K230 VanDerWaalsContact CD-NZ 3.34Å; E43-K230 IonicContact OE1-NZ 3.16Å; E43-K230 PolarHBondContact OE1-NZ 2.97Å; E43-K230 IonicContact OE2-NZ 3.24Å; E43-K230 PolarHBondContact OE2-NZ 3.17Å; E43-K230 VanDerWaalsContact OE2-NZ 3.09Å; C163-K230 WeakPolarHBondContact O-CA 3.4Å; Y164-K230 HydrophobicContact CD1-CB 4.08Å; Y164-K230 HydrophobicContact CD1-CG 4.27Å; Y164-K230 HydrophobicContact CE1-CB 3.81Å; Y164-K230 HydrophobicContact CE1-CD 3.73Å; Y164-K230 HydrophobicContact CE1-CG 3.68Å; Y164-K230 HydrophobicContact CE2-CG 4.45Å; Y164-K230 WeakPolarHBondContact OH-CD 3.36Å; Y164-K230 VanDerWaalsContact OH-CE 3.29Å; Y164-K230 WeakPolarHBondContact OH-CE 3.37Å; Y164-K230 PolarHBondContact OH-NZ 3.45Å; L195-K230 CarbonylContact C-O 3.53Å; L195-K230 WeakPolarHBondContact CA-O 3.49Å; E196-K230 HydrophobicContact CB-CB 4.27Å; E196-K230 PolarHBondContact N-O 2.82Å; E196-K230 PolarHBondContact O-N 3.3Å; Y198-K230 HydrophobicContact CE2-CB 4.31Å
231	F	94.9	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.7	169.2	176.8	-117.7	0	0	0	109.3	Y157 Q161 I162 C163 W165 V184 F194 L195 F242	Y157-F231 HydrophobicContact CD1-CZ 4.05Å; Y157-F231 HydrophobicContact CD2-CE1 4.19Å; Y157-F231 AromaticContact CD2-CZ 3.81Å; Y157-F231 HydrophobicContact CD2-CZ 3.81Å; Y157-F231 HydrophobicContact CE1-CZ 4.2Å; Y157-F231 AromaticContact CE2-CZ 3.99Å; Y157-F231 HydrophobicContact CE2-CZ 3.99Å; Y157-F231 HydrophobicContact CG-CE1 4.16Å; Y157-F231 AromaticContact CG-CZ 3.84Å; Y157-F231 HydrophobicContact CG-CZ 3.84Å; Q161-F231 HydrophobicContact CB-CD1 4.49Å; Q161-F231 HydrophobicContact CB-CE1 4.33Å; I162-F231 CarbonylContact C-O 3.51Å; I162-F231 WeakPolarHBondContact CA-O 3.4Å; C163-F231 HydrophobicContact CB-CB 4.18Å; C163-F231 PolarHBondContact N-O 3.1Å; C163-F231 PolarHBondContact O-N 2.9Å; W165-F231 HydrophobicContact CH2-CB 4.32Å; W165-F231 HydrophobicContact CZ3-CB 3.84Å; V184-F231 HydrophobicContact CG1-CE2 4.18Å; V184-F231 HydrophobicContact CG2-CE2 4.18Å; F194-F231 WeakPolarHBondContact O-CA 3.35Å; F194-F231 VanDerWaalsContact O-CD2 3.29Å; F194-F231 WeakPolarHBondContact O-CD2 3.45Å; L195-F231 HydrophobicContact CD1-CB 4.16Å; F231-F242 HydrophobicContact CB-CE1 4.03Å; F231-F242 HydrophobicContact CB-CZ 4.1Å; F231-F242 HydrophobicContact CD1-CE1 4.16Å; F231-F242 HydrophobicContact CD2-CD1 4.42Å; F231-F242 AromaticContact CD2-CE1 3.6Å; F231-F242 HydrophobicContact CD2-CE1 3.6Å; F231-F242 HydrophobicContact CD2-CZ 4.49Å; F231-F242 HydrophobicContact CE2-CE1 4.05Å; F231-F242 AromaticContact CG-CE1 3.66Å; F231-F242 HydrophobicContact CG-CE1 3.66Å; F231-F242 HydrophobicContact CG-CZ 4.16Å
232	L	91.6	Very high	94	Very high	31 Å²	31	25.1 Å²	25.1	16%	0.162	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.4	174.6	-170.1	150.1	0	0	0	108.7	Q161 I162 D193 F194	Q161-L232 CarbonylContact O-C 3.47Å; Q161-L232 VanDerWaalsContact O-CA 3.3Å; Q161-L232 WeakPolarHBondContact O-CA 3.29Å; I162-L232 HydrophobicContact CD1-CD1 4.26Å; I162-L232 HydrophobicContact CG1-CD1 4.32Å; I162-L232 HydrophobicContact CG1-CG 4.27Å; D193-L232 WeakPolarHBondContact CA-O 3.23Å; F194-L232 HydrophobicContact CD2-CB 4.32Å; F194-L232 HydrophobicContact CE1-CB 4.34Å; F194-L232 HydrophobicContact CE1-CD2 4.17Å; F194-L232 HydrophobicContact CE2-CB 3.83Å; F194-L232 HydrophobicContact CZ-CB 3.83Å; F194-L232 HydrophobicContact CZ-CD1 4.08Å; F194-L232 HydrophobicContact CZ-CD2 4.26Å; F194-L232 HydrophobicContact CZ-CG 4.28Å; F194-L232 PolarHBondContact N-O 2.76Å; F194-L232 PolarHBondContact O-N 3.13Å
233	S	91.9	Very high	94.1	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.035	17%	0.174	C	C	.	.			trans	-116.1	148.2	165.1	60.1	0	0	0	0	112	Q158 E160 Q161 D193	Q158-S233 PolarHBondContact O-OG 3.11Å; E160-S233 WeakPolarHBondContact CA-O 3.04Å; E160-S233 PolarHBondContact N-OG 3.11Å; Q161-S233 WeakPolarHBondContact CB-OG 3.38Å; Q161-S233 PolarHBondContact N-OG 3.08Å; Q161-S233 PolarHBondContact O-N 2.87Å; D193-S233 WeakPolarHBondContact OD1-CA 3.26Å; D193-S233 WeakPolarHBondContact OD1-CB 3.33Å
234	D	88.9	Confident	94.3	Very high	50 Å²	50	21.7 Å²	21.7	27%	0.267	15%	0.145	S	C	.	.			trans	-86.4	-157.1	-176.8	100.2	-3.2	0	0	0	111.9	D159 E160 D193 S236	D159-D234 WeakPolarHBondContact CB-O 3.31Å; E160-D234 WeakPolarHBondContact CA-O 3.4Å; E160-D234 WeakPolarHBondContact CG-O 3.33Å; E160-D234 PolarHBondContact N-O 3.21Å; D193-D234 PolarHBondContact OD1-N 2.88Å; D234-S236 PolarHBondContact OD1-N 3.3Å; D234-S236 PolarHBondContact OD1-OG 3.46Å
235	A	86.6	Confident	94.5	Very high	45 Å²	45	22.5 Å²	22.5	37%	0.372	14%	0.142	S	C	.	.	S	Bend	trans	-87.7	-0.8	-176.8	0	0	0	0	0	114.5
236	S	90.5	Very high	94.7	Very high	60 Å²	60	21.6 Å²	21.6	42%	0.42	14%	0.137	S	C	.	.	S	Bend	trans	-160.8	162.7	-172.3	56	0	0	0	0	112.4	D159 D234	D159-S236 VanDerWaalsContact OD1-CA 3.27Å; D159-S236 WeakPolarHBondContact OD1-CA 3.3Å; D159-S236 PolarHBondContact OD1-N 2.79Å; D234-S236 PolarHBondContact OD1-N 3.3Å; D234-S236 PolarHBondContact OD1-OG 3.46Å
237	V	93.8	Very high	94.9	Very high	84 Å²	84	22.9 Å²	22.9	51%	0.509	14%	0.143	S	C	.	.			trans	61.6	101.3	175	-171.5	0	0	0	0	111.2	E185	E185-V237 HydrophobicContact CB-CG1 4.15Å; E185-V237 VanDerWaalsContact CD-CB 3.48Å; E185-V237 HydrophobicContact CG-CB 4.04Å; E185-V237 HydrophobicContact CG-CG1 3.55Å; E185-V237 VanDerWaalsContact OE1-CB 3.32Å; E185-V237 WeakPolarHBondContact OE1-CB 3.33Å
238	V	95.2	Very high	94.9	Very high	40 Å²	40	23.7 Å²	23.7	24%	0.242	15%	0.15	C	C	.	.			trans	-108.1	160.7	175.4	-60.8	0	0	0	0	109.7	E156 Y157 D159	E156-V238 HydrophobicContact CB-CB 4.36Å; E156-V238 HydrophobicContact CB-CG2 3.86Å; E156-V238 HydrophobicContact CG-CG2 4.39Å; E156-V238 WeakPolarHBondContact OE2-CG2 3.5Å; Y157-V238 HydrophobicContact CD2-CB 4.1Å; Y157-V238 HydrophobicContact CD2-CG1 3.98Å; Y157-V238 HydrophobicContact CE2-CB 3.9Å; Y157-V238 HydrophobicContact CE2-CG1 3.88Å; Y157-V238 VanDerWaalsContact O-CB 3.23Å; Y157-V238 WeakPolarHBondContact O-CB 3.28Å; Y157-V238 WeakPolarHBondContact O-CG1 3.31Å; D159-V238 VanDerWaalsContact OD1-CG1 3.24Å; D159-V238 WeakPolarHBondContact OD1-CG1 3.22Å
239	A	96.8	Very high	95	Very high	12 Å²	12	25.1 Å²	25.1	10%	0.099	16%	0.159	C	C	.	.			trans	-136.8	-177.7	177.8	0	0	0	0	0	110.5	E156 Y157 D183 G241	E156-A239 VanDerWaalsContact CA-O 3.25Å; E156-A239 WeakPolarHBondContact CA-O 3.45Å; E156-A239 WeakPolarHBondContact CB-O 3.33Å; Y157-A239 WeakPolarHBondContact CD1-O 3.34Å; Y157-A239 HydrophobicContact CE1-CB 3.88Å; Y157-A239 VanDerWaalsContact CE1-N 3.31Å; Y157-A239 VanDerWaalsContact CE1-O 3.29Å; Y157-A239 WeakPolarHBondContact CE1-O 2.96Å; Y157-A239 VanDerWaalsContact CZ-N 3.32Å; Y157-A239 PolarHBondContact N-O 2.66Å; Y157-A239 PolarHBondContact OH-N 3.14Å; D183-A239 WeakPolarHBondContact O-CB 3.43Å; A239-G241 PolarHBondContact O-N 2.96Å
240	G	97.3	Very high	94.7	Very high	25 Å²	25	28.7 Å²	28.7	26%	0.258	18%	0.178	S	C	.	.			trans	-62	-15	-173.8	0	0	0	0	0	115.2	D183	D183-G240 WeakPolarHBondContact OD2-CA 3.17Å; D183-G240 PolarHBondContact OD2-N 3.39Å
241	G	97.6	Very high	94	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-146.1	178.2	0	0	0	0	0	112.8	S150 F182 D183 A239	S150-G241 WeakPolarHBondContact OG-CA 3.43Å; F182-G241 CarbonylContact C-O 3.57Å; D183-G241 CarbonylContact C-O 3.4Å; D183-G241 PolarHBondContact N-O 3.39Å; D183-G241 CarbonylContact O-C 3.52Å; D183-G241 WeakPolarHBondContact O-CA 3.31Å; D183-G241 PolarHBondContact O-N 3.07Å; D183-G241 VanDerWaalsContact O-O 3.11Å; A239-G241 PolarHBondContact O-N 2.96Å
242	F	98	Very high	92.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.7	-175.4	58.4	-101.8	0	0	0	112	I148 Q149 S150 W165 E181 F182 V184 L195 F231 M244	I148-F242 HydrophobicContact CG2-CE2 4.37Å; Q149-F242 WeakPolarHBondContact CA-O 3.49Å; S150-F242 PolarHBondContact N-O 3.05Å; S150-F242 PolarHBondContact OG-N 3.36Å; S150-F242 VanDerWaalsContact OG-N 3.11Å; W165-F242 HydrophobicContact CH2-CE2 4.26Å; W165-F242 AromaticContact CH2-CZ 3.76Å; W165-F242 HydrophobicContact CH2-CZ 3.76Å; W165-F242 AromaticContact CZ3-CZ 3.95Å; W165-F242 HydrophobicContact CZ3-CZ 3.95Å; E181-F242 WeakPolarHBondContact O-CA 3.05Å; E181-F242 WeakPolarHBondContact O-CB 3.48Å; F182-F242 HydrophobicContact CD2-CB 3.8Å; F182-F242 HydrophobicContact CE2-CB 4.36Å; V184-F242 HydrophobicContact CG2-CD1 4.33Å; L195-F242 HydrophobicContact CD1-CE1 4.33Å; L195-F242 HydrophobicContact CD1-CZ 4.22Å; F231-F242 HydrophobicContact CB-CE1 4.03Å; F231-F242 HydrophobicContact CB-CZ 4.1Å; F231-F242 HydrophobicContact CD1-CE1 4.16Å; F231-F242 HydrophobicContact CD2-CD1 4.42Å; F231-F242 AromaticContact CD2-CE1 3.6Å; F231-F242 HydrophobicContact CD2-CE1 3.6Å; F231-F242 HydrophobicContact CD2-CZ 4.49Å; F231-F242 HydrophobicContact CE2-CE1 4.05Å; F231-F242 AromaticContact CG-CE1 3.66Å; F231-F242 HydrophobicContact CG-CE1 3.66Å; F231-F242 HydrophobicContact CG-CZ 4.16Å; F242-M244 HydrophobicContact CD2-CE 3.26Å; F242-M244 HydrophobicContact CE2-CE 3.44Å; F242-M244 VanDerWaalsContact CE2-CE 3.44Å; F242-M244 HydrophobicContact CG-CE 3.98Å; F242-M244 HydrophobicContact CZ-CE 4.28Å
243	Q	98.3	Very high	91.4	Very high	31 Å²	31	37.1 Å²	37.1	15%	0.145	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.6	165.4	-176	171	-22.4	0	0	108.6	I147 I148 Q149 Y153 L180 E181	I147-Q243 HydrophobicContact CG2-CG 3.72Å; I148-Q243 WeakPolarHBondContact O-CA 3.13Å; Q149-Q243 HydrophobicContact CG-CB 4.07Å; Q149-Q243 HydrophobicContact CG-CG 3.71Å; Q149-Q243 VanDerWaalsContact NE2-CD 3.34Å; Y153-Q243 HydrophobicContact CE2-CB 4.3Å; Y153-Q243 PolarHBondContact OH-OE1 2.85Å; L180-Q243 WeakPolarHBondContact CA-O 3.4Å; L180-Q243 HydrophobicContact CB-CB 4.44Å; L180-Q243 HydrophobicContact CB-CG 4.35Å; L180-Q243 WeakPolarHBondContact CB-O 3.36Å; L180-Q243 HydrophobicContact CD1-CG 4.02Å; L180-Q243 PolarHBondContact N-O 2.69Å; E181-Q243 HydrophobicContact CB-CB 4.38Å; E181-Q243 PolarHBondContact N-O 2.99Å; E181-Q243 PolarHBondContact O-N 2.87Å
244	M	97.9	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.6	176.8	69.9	-171.7	79.9	0	0	110.3	I147 I148 L177 H178 F179 L195 L229 F242	I147-M244 CarbonylContact C-O 3.55Å; I147-M244 WeakPolarHBondContact CA-O 3.28Å; I148-M244 HydrophobicContact CB-CG 3.88Å; I148-M244 PolarHBondContact N-O 2.88Å; I148-M244 PolarHBondContact O-N 2.8Å; L177-M244 HydrophobicContact CD1-CG 4.04Å; L177-M244 HydrophobicContact CD1-SD 3.71Å; L177-M244 HydrophobicContact CD2-SD 3.93Å; L177-M244 HydrophobicContact CG-SD 4.1Å; H178-M244 CarbonylContact O-C 3.52Å; H178-M244 VanDerWaalsContact O-CA 3.26Å; H178-M244 WeakPolarHBondContact O-CA 3.45Å; H178-M244 WeakPolarHBondContact O-CB 3.24Å; F179-M244 HydrophobicContact CD1-CB 4.27Å; F179-M244 HydrophobicContact CD1-CE 4.5Å; F179-M244 HydrophobicContact CE1-CE 3.86Å; F179-M244 HydrophobicContact CE1-SD 4.3Å; L195-M244 HydrophobicContact CD1-CE 4.37Å; L195-M244 HydrophobicContact CD2-CE 3.47Å; L195-M244 VanDerWaalsContact CD2-CE 3.47Å; L229-M244 HydrophobicContact CD1-SD 3.57Å; L229-M244 VanDerWaalsContact CD1-SD 3.57Å; F242-M244 HydrophobicContact CD2-CE 3.26Å; F242-M244 HydrophobicContact CE2-CE 3.44Å; F242-M244 VanDerWaalsContact CE2-CE 3.44Å; F242-M244 HydrophobicContact CG-CE 3.98Å; F242-M244 HydrophobicContact CZ-CE 4.28Å
245	E	98.3	Very high	88.1	Confident	42 Å²	42	41.8 Å²	41.8	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.3	173.5	178.1	170.3	-121.7	0	0	109.5	Q145 I147 H178 L180	Q145-E245 HydrophobicContact CG-CG 4.39Å; Q145-E245 WeakPolarHBondContact CG-OE1 3.3Å; Q145-E245 PolarHBondContact NE2-OE1 2.98Å; I147-E245 HydrophobicContact CG1-CB 4.42Å; H178-E245 PolarHBondContact N-O 3.42Å; H178-E245 PolarHBondContact O-N 3.35Å; L180-E245 HydrophobicContact CD1-CB 4.3Å
246	Y	98.1	Very high	86.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147	163.9	85.6	-98.5	0	0	0	111	L141 D143 Q145 R146 I148 I167 V169 I175 R176	L141-Y246 HydrophobicContact CB-CE1 3.98Å; L141-Y246 HydrophobicContact CD1-CD1 4.45Å; L141-Y246 HydrophobicContact CD1-CE1 3.75Å; D143-Y246 WeakPolarHBondContact CB-OH 3.48Å; D143-Y246 PolarHBondContact N-OH 3.39Å; D143-Y246 WeakPolarHBondContact O-CE2 3.48Å; D143-Y246 PolarHBondContact O-OH 3.15Å; Q145-Y246 VanDerWaalsContact CA-O 3.24Å; Q145-Y246 WeakPolarHBondContact CA-O 3.38Å; R146-Y246 HydrophobicContact CB-CD1 4.14Å; R146-Y246 HydrophobicContact CB-CE1 3.53Å; R146-Y246 HydrophobicContact CG-CE1 4.4Å; R146-Y246 PolarHBondContact N-O 3.11Å; R146-Y246 PolarHBondContact O-N 3.23Å; I148-Y246 HydrophobicContact CD1-CD1 3.91Å; I148-Y246 HydrophobicContact CD1-CE1 4.41Å; I148-Y246 HydrophobicContact CG1-CD1 4.33Å; I167-Y246 HydrophobicContact CD1-CD1 3.78Å; I167-Y246 HydrophobicContact CD1-CE1 4.32Å; I167-Y246 HydrophobicContact CD1-CG 3.98Å; I167-Y246 HydrophobicContact CG1-CD1 4.2Å; I167-Y246 HydrophobicContact CG1-CE1 4.23Å; I167-Y246 HydrophobicContact CG2-CD1 4.14Å; I167-Y246 HydrophobicContact CG2-CD2 3.69Å; I167-Y246 HydrophobicContact CG2-CE1 3.95Å; I167-Y246 HydrophobicContact CG2-CE2 3.55Å; I167-Y246 HydrophobicContact CG2-CG 4Å; V169-Y246 HydrophobicContact CG1-CE2 4.3Å; I175-Y246 HydrophobicContact CG2-CD2 4.16Å; I175-Y246 HydrophobicContact CG2-CG 4.37Å; R176-Y246 CarbonylContact O-C 3.55Å; R176-Y246 VanDerWaalsContact O-CA 3.26Å; R176-Y246 WeakPolarHBondContact O-CA 3.33Å
247	I	97.8	Very high	84.3	Confident	44 Å²	44	50.7 Å²	50.7	23%	0.226	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.8	174.5	31	168.3	0	0	0	110.9	Q144 Q145 R176 V249	Q144-I247 CarbonylContact O-C 3.58Å; Q144-I247 WeakPolarHBondContact O-CA 2.99Å; Q145-I247 HydrophobicContact CB-CG2 3.74Å; Q145-I247 VanDerWaalsContact CD-CG2 3.5Å; Q145-I247 HydrophobicContact CG-CG2 3.45Å; Q145-I247 VanDerWaalsContact CG-CG2 3.45Å; R176-I247 HydrophobicContact CB-CG1 4.17Å; R176-I247 PolarHBondContact N-O 2.85Å; R176-I247 PolarHBondContact O-N 2.97Å; I247-V249 PolarHBondContact O-N 3.39Å
248	A	96.9	Very high	82	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.6	172.4	0	0	0	0	0	109.6	Q144 V169 R174	Q144-A248 HydrophobicContact CB-CB 4.32Å; Q144-A248 WeakPolarHBondContact O-CB 3.25Å; Q144-A248 PolarHBondContact O-N 3.19Å; V169-A248 HydrophobicContact CB-CB 3.96Å; V169-A248 HydrophobicContact CG1-CB 3.63Å; R174-A248 CarbonylContact O-C 3.47Å; R174-A248 WeakPolarHBondContact O-CA 3.01Å
249	V	95.5	Very high	79.6	Confident	30 Å²	30	57.9 Å²	57.9	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.2	179.7	-65.6	0	0	0	0	110.1	Q173 R174 R176 I247 S251 L254	Q173-V249 CarbonylContact C-O 3.54Å; Q173-V249 VanDerWaalsContact CA-O 3.27Å; Q173-V249 WeakPolarHBondContact CA-O 3.4Å; R174-V249 HydrophobicContact CB-CG2 3.99Å; R174-V249 PolarHBondContact N-O 2.83Å; R174-V249 WeakPolarHBondContact O-CG2 3.33Å; R174-V249 PolarHBondContact O-N 2.94Å; R176-V249 HydrophobicContact CB-CG1 4.2Å; R176-V249 HydrophobicContact CB-CG2 4.37Å; I247-V249 PolarHBondContact O-N 3.39Å; V249-S251 PolarHBondContact O-N 3.41Å; V249-L254 HydrophobicContact CG2-CD1 3.82Å; V249-L254 HydrophobicContact CG2-CD2 4.18Å; V249-L254 HydrophobicContact CG2-CG 4.16Å
250	N	90.4	Very high	77.4	Confident	75 Å²	75	63.6 Å²	63.6	40%	0.401	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.5	176.1	-74.9	-33.7	0	0	0	109.9	S252 L253	N250-S252 PolarHBondContact O-N 3.06Å; N250-S252 VanDerWaalsContact O-N 3.13Å; N250-L253 HydrophobicContact CB-CD1 4.05Å; N250-L253 HydrophobicContact CB-CG 4.1Å; N250-L253 PolarHBondContact O-N 3.28Å
251	S	77.9	Confident	75.3	Confident	30 Å²	30	67.8 Å²	67.8	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-28.4	-177.9	-54.4	0	0	0	0	112.7	G172 V249 L253 H255	G172-S251 VanDerWaalsContact O-CB 3.29Å; G172-S251 WeakPolarHBondContact O-CB 3.36Å; G172-S251 PolarHBondContact O-N 2.85Å; G172-S251 VanDerWaalsContact O-N 3.14Å; G172-S251 PolarHBondContact O-OG 3.33Å; V249-S251 PolarHBondContact O-N 3.41Å; S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.37Å; S251-H255 PolarHBondContact O-CD2 2.84Å
252	S	70.1	Confident	73.2	Confident	77 Å²	77	73 Å²	73	54%	0.538	40%	0.404	S	S	.	.	H	α-helix	trans	-68.5	-24.9	175.2	51.6	0	0	0	0	114	N250 F256	N250-S252 PolarHBondContact O-N 3.06Å; N250-S252 VanDerWaalsContact O-N 3.13Å; S252-F256 WeakPolarHBondContact O-CD2 3.45Å
253	L	60.7	Low	70.7	Confident	107 Å²	107	78.2 Å²	78.2	56%	0.56	44%	0.439	S	S	*	.	H	α-helix	trans	-86.3	-20.9	-179.2	-64	177.1	0	0	0	112.9	N250 S251 H255 F256	N250-L253 HydrophobicContact CB-CD1 4.05Å; N250-L253 HydrophobicContact CB-CG 4.1Å; N250-L253 PolarHBondContact O-N 3.28Å; S251-L253 VanDerWaalsContact C-N 3.31Å; S251-L253 PolarHBondContact O-N 3.37Å; L253-H255 VanDerWaalsContact C-N 3.31Å; L253-F256 PolarHBondContact O-N 2.77Å
254	L	58.3	Low	68.1	Low	25 Å²	25	87.1 Å²	87.1	13%	0.131	48%	0.478	C	S	.	.	H	α-helix	trans	-72.4	-26.1	176.1	-70	170	0	0	0	112.7	R174 I221 V249 F256	R174-L254 HydrophobicContact CB-CD1 4.03Å; R174-L254 VanDerWaalsContact CD-CD1 3.46Å; R174-L254 HydrophobicContact CG-CD1 4.33Å; I221-L254 HydrophobicContact CD1-CD2 3.82Å; I221-L254 HydrophobicContact CG2-CD1 3.77Å; I221-L254 HydrophobicContact CG2-CD2 4.39Å; V249-L254 HydrophobicContact CG2-CD1 3.82Å; V249-L254 HydrophobicContact CG2-CD2 4.18Å; V249-L254 HydrophobicContact CG2-CG 4.16Å; L254-F256 VanDerWaalsContact C-N 3.31Å
255	H	53.6	Low	65.5	Low	129 Å²	129	96.8 Å²	96.8	60%	0.597	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-71.4	-25.5	174.4	-76	-66.1	0	0	0	113	S251 L253 Q257	S251-H255 PolarHBondContact O-CD2 2.84Å; L253-H255 VanDerWaalsContact C-N 3.31Å; H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 3.08Å
256	F	49.4	Very low	63.8	Low	163 Å²	163	99.6 Å²	99.6	72%	0.715	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-79.2	-13.3	179.9	-82.9	-81	0	0	0	114.2	S252 L253 L254	S252-F256 WeakPolarHBondContact O-CD2 3.45Å; L253-F256 PolarHBondContact O-N 2.77Å; L254-F256 VanDerWaalsContact C-N 3.31Å
257	Q	49.3	Very low	62	Low	128 Å²	128	104.8 Å²	104.8	60%	0.598	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-89.2	-14.9	178	-75.1	-176.4	-31.4	0	0	113.8	H255	H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 3.08Å
258	N	44.7	Very low	60.1	Low	147 Å²	147	108.2 Å²	108.2	79%	0.786	60%	0.604	S	S	*	*	S	Bend	trans	-94.3	-1	176	-80.8	-6.3	0	0	0	114
259	D	44.8	Very low	57.9	Low	129 Å²	129	113.4 Å²	113.4	69%	0.69	63%	0.63	S	S	*	*			trans	-105.8	27.3	-176.9	-93.1	-10.7	0	0	0	113.5	S261	D259-S261 PolarHBondContact O-N 2.76Å
260	T	49.6	Very low	55.5	Low	132 Å²	132	118.6 Å²	118.6	81%	0.81	66%	0.658	S	S	*	*			trans	-83	10	172.1	49.2	0	0	0	0	114.4
261	S	55	Low	53.2	Low	112 Å²	112	121.5 Å²	121.5	78%	0.783	68%	0.675	S	S	*	*			trans	-98.6	69	163.5	171.3	0	0	0	0	110.2	D259	D259-S261 PolarHBondContact O-N 2.76Å
262	C	53.7	Low	51.5	Low	111 Å²	111	128 Å²	128	75%	0.75	71%	0.708	S	S	*	*	S	Bend	trans	-155.8	122.5	154.2	-116.9	0	0	0	0	112.2
263	C	45.3	Very low	50	Low	110 Å²	110	131.9 Å²	131.9	74%	0.743	72%	0.721	S	S	*	*			trans	74.4	83	163.1	-56.5	0	0	0	0	116.9
264	F	42.1	Very low	49.1	Very low	218 Å²	218	134 Å²	134	96%	0.956	73%	0.734	S	S	*	*				-101.9	120.4	128.6	-79.7	-80.7	0	0	0	107.9
265	T	43.8	Very low	48.3	Very low	204 Å²	204	143.9 Å²	143.9	100%	1.252	79%	0.789	S	S	*	*			trans	-53	0	178.3	47.4	0	0	0	0	114.2

Retrieved 265 of 265 residues in 70 ms (Link to these results)

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