A0A087YMY9_POEFO Loading...

Lipase, member Ia

Hydrolyzes specifically phosphatidic acid (PA) to produce 2-acyl lysophosphatidic acid (LPA; a potent bioactive lipid mediator) and fatty acid. Does not hydrolyze other phospholipids, like phosphatidylserine (PS), phosphatidylcholine (PC) and phosphatidylethanolamine (PE) or triacylglycerol (TG).

AlphaFold DB , UniProt , Accession A0A087YMY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 450 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.4	Very low	48.6	Very low	232 Å²	232	138.7 Å²	138.7	100%	1.143	70%	0.704	S	S	*	*				0	40.1	0	-128.7	170.8	88	0	0	112.2
2	F	49.2	Very low	48.5	Very low	194 Å²	194	136.3 Å²	136.3	85%	0.851	69%	0.693	S	S	*	*			trans	-140.4	18.5	-171.3	-99.7	-80.5	0	0	0	114.3
3	L	44.7	Very low	48.5	Very low	153 Å²	153	132.8 Å²	132.8	80%	0.801	68%	0.676	S	S	*	*	S	Bend	trans	-115.1	-4.2	177.9	-95.8	125.2	0	0	0	114.2
4	W	42.7	Very low	48.3	Very low	230 Å²	230	128.1 Å²	128.1	87%	0.871	66%	0.657	S	S	*	*	S	Bend	trans	-94	-12.4	177.3	-100.8	14.6	0	0	0	114.5
5	S	50.3	Low	48.3	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-9.4	-176	-40.4	0	0	0	0	114.3
6	C	49.2	Very low	48	Very low	102 Å²	102	126.4 Å²	126.4	69%	0.689	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-10.1	179.9	-78.3	0	0	0	0	114.4	P9	C6-P9 WeakPolarHBondContact O-CD 3.11Å
7	L	48	Very low	47.6	Very low	114 Å²	114	127.1 Å²	127.1	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-87.8	-29.9	178.7	-87.7	154.6	0	0	0	112.7	F10 L11	L7-F10 PolarHBondContact O-N 2.75Å; L7-L11 PolarHBondContact O-N 3.38Å
8	T	52.2	Low	47.5	Very low	87 Å²	87	126.3 Å²	126.3	53%	0.534	66%	0.659	S	S	.	*	H	α-helix	trans	-67.2	-39.6	179	38.3	0	0	0	0	114.8	L12	T8-L12 WeakPolarHBondContact O-CD1 3.28Å; T8-L12 PolarHBondContact O-N 2.94Å; T8-L12 VanDerWaalsContact O-N 3.14Å
9	P	50.7	Low	47.3	Very low	61 Å²	61	128.4 Å²	128.4	40%	0.396	66%	0.663	S	S	.	*	H	α-helix	trans	-72	-33.5	176.5	-4.9	20.7	0	0	0	111.4	C6 L12 I13	C6-P9 WeakPolarHBondContact O-CD 3.11Å; P9-L12 PolarHBondContact O-N 2.86Å; P9-I13 WeakPolarHBondContact O-CB 3.34Å; P9-I13 WeakPolarHBondContact O-CD1 3.35Å; P9-I13 WeakPolarHBondContact O-CG1 3.47Å; P9-I13 PolarHBondContact O-N 2.86Å
10	F	49.4	Very low	47	Very low	151 Å²	151	124.9 Å²	124.9	66%	0.662	66%	0.66	S	S	*	*	H	α-helix	trans	-68.8	-39.4	179.1	-134.8	-90.8	0	0	0	111.3	L7 I13 T14	L7-F10 PolarHBondContact O-N 2.75Å; F10-I13 PolarHBondContact O-N 3.38Å; F10-T14 WeakPolarHBondContact O-CG2 3.07Å; F10-T14 PolarHBondContact O-N 3.41Å; F10-T14 PolarHBondContact O-OG1 2.97Å; F10-T14 VanDerWaalsContact O-OG1 3.12Å
11	L	49.9	Very low	46.7	Very low	121 Å²	121	122.1 Å²	122.1	63%	0.634	65%	0.65	S	S	*	*	H	α-helix	trans	-64.4	-42.2	173.5	-145.3	89.3	0	0	0	111.6	L7 T14 V15	L7-L11 PolarHBondContact O-N 3.38Å; L11-T14 WeakPolarHBondContact CA-OG1 3.07Å; L11-T14 PolarHBondContact O-N 2.9Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L11-V15 VanDerWaalsContact O-CG2 3.24Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.03Å
12	L	47.3	Very low	46.7	Very low	109 Å²	109	116.2 Å²	116.2	57%	0.571	63%	0.63	S	S	*	*	H	α-helix	trans	-64.8	-40.3	176.3	-85.3	156.4	0	0	0	112.4	T8 P9 V15 Q16	T8-L12 WeakPolarHBondContact O-CD1 3.28Å; T8-L12 PolarHBondContact O-N 2.94Å; T8-L12 VanDerWaalsContact O-N 3.14Å; P9-L12 PolarHBondContact O-N 2.86Å; L12-V15 PolarHBondContact O-N 2.96Å; L12-Q16 PolarHBondContact O-N 3.03Å
13	I	48.1	Very low	46.9	Very low	92 Å²	92	114 Å²	114	47%	0.472	63%	0.627	S	S	.	*	H	α-helix	trans	-68.1	-37.8	176.5	-68.5	164.4	0	0	0	111	P9 F10 Q16 L17	P9-I13 WeakPolarHBondContact O-CB 3.34Å; P9-I13 WeakPolarHBondContact O-CD1 3.35Å; P9-I13 WeakPolarHBondContact O-CG1 3.47Å; P9-I13 PolarHBondContact O-N 2.86Å; F10-I13 PolarHBondContact O-N 3.38Å; I13-Q16 PolarHBondContact O-N 2.77Å; I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 WeakPolarHBondContact O-CD1 3.46Å; I13-L17 WeakPolarHBondContact O-CG 3.23Å; I13-L17 PolarHBondContact O-N 2.71Å
14	T	46.8	Very low	47.4	Very low	66 Å²	66	115 Å²	115	41%	0.405	63%	0.627	S	S	.	*	H	α-helix	trans	-67.5	-34.8	173	51.8	0	0	0	0	112.9	F10 L11 Q16 L17 C18	F10-T14 WeakPolarHBondContact O-CG2 3.07Å; F10-T14 PolarHBondContact O-N 3.41Å; F10-T14 PolarHBondContact O-OG1 2.97Å; F10-T14 VanDerWaalsContact O-OG1 3.12Å; L11-T14 WeakPolarHBondContact CA-OG1 3.07Å; L11-T14 PolarHBondContact O-N 2.9Å; L11-T14 PolarHBondContact O-OG1 3.14Å; T14-Q16 VanDerWaalsContact C-N 3.35Å; T14-L17 PolarHBondContact O-N 2.94Å; T14-C18 PolarHBondContact O-N 2.83Å
15	V	47.4	Very low	48.9	Very low	84 Å²	84	110.1 Å²	110.1	51%	0.509	61%	0.608	S	S	.	*	H	α-helix	trans	-71.2	-30.9	175.1	171.7	0	0	0	0	111.7	L11 L12	L11-V15 VanDerWaalsContact O-CG2 3.24Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.03Å; L12-V15 PolarHBondContact O-N 2.96Å
16	Q	43.2	Very low	50.7	Low	145 Å²	145	108.4 Å²	108.4	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-78.3	-29.6	174.5	-106.4	159.3	-38.1	0	0	113.6	L12 I13 T14	L12-Q16 PolarHBondContact O-N 3.03Å; I13-Q16 PolarHBondContact O-N 2.77Å; T14-Q16 VanDerWaalsContact C-N 3.35Å
17	L	41.4	Very low	52.7	Low	138 Å²	138	104.3 Å²	104.3	72%	0.723	57%	0.571	S	S	*	*	H	α-helix	trans	-79.6	-18.8	176	-78.2	159.1	0	0	0	113.8	I13 T14	I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 WeakPolarHBondContact O-CD1 3.46Å; I13-L17 WeakPolarHBondContact O-CG 3.23Å; I13-L17 PolarHBondContact O-N 2.71Å; T14-L17 PolarHBondContact O-N 2.94Å
18	C	46.7	Very low	54.7	Low	114 Å²	114	107.4 Å²	107.4	77%	0.77	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-5.4	173.2	-74.8	0	0	0	0	114.3	T14 G20	T14-C18 PolarHBondContact O-N 2.83Å; C18-G20 PolarHBondContact O-N 3.35Å
19	K	43.1	Very low	56.8	Low	165 Å²	165	104.4 Å²	104.4	72%	0.717	56%	0.559	S	S	*	*	S	Bend	trans	-89.9	86.2	167.4	-73.7	-176.2	178.4	-177	0	108.1
20	G	41.8	Very low	59	Low	59 Å²	59	102 Å²	102	61%	0.608	54%	0.544	S	S	*	.			trans	-48.1	145	162.7	0	0	0	0	0	109.8	C18	C18-G20 PolarHBondContact O-N 3.35Å
21	S	41	Very low	61.2	Low	66 Å²	66	100.3 Å²	100.3	46%	0.462	54%	0.542	S	S	.	.			trans	-47.2	128.9	179	-178.5	0	0	0	0	110	D23 Q24	S21-D23 PolarHBondContact O-N 3.01Å; S21-Q24 PolarHBondContact O-N 3.27Å
22	P	48.7	Very low	63.3	Low	109 Å²	109	95.2 Å²	95.2	71%	0.708	52%	0.515	S	S	*	.	H	α-helix	trans	-50.3	-35.7	-178.7	-26.4	32.4	0	0	0	113.2	Q24 R25	P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.38Å; P22-R25 PolarHBondContact O-N 3.34Å
23	D	51.5	Low	65.4	Low	147 Å²	147	93.7 Å²	93.7	79%	0.786	51%	0.507	S	S	*	.	H	α-helix	trans	-67.3	-21.6	-179.6	-91.7	-23.3	0	0	0	114.6	S21	S21-D23 PolarHBondContact O-N 3.01Å
24	Q	56.3	Low	67.4	Low	174 Å²	174	93.5 Å²	93.5	81%	0.813	51%	0.506	S	S	*	.	H	α-helix	trans	-88.1	-13.5	-175.2	-144.4	168	10.7	0	0	112.9	S21 P22	S21-Q24 PolarHBondContact O-N 3.27Å; P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.38Å
25	R	73.4	Confident	69.6	Low	127 Å²	127	93.8 Å²	93.8	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-92.3	-27	-178.8	-163.6	179	-174.6	-176.9	3.7	113.1	P22 G27 V59 E71	P22-R25 PolarHBondContact O-N 3.34Å; R25-G27 PolarHBondContact O-N 2.8Å; R25-V59 HydrophobicContact CG-CG1 4.14Å; R25-V59 HydrophobicContact CG-CG2 4.33Å; R25-E71 IonicContact CZ-OE1 3.71Å; R25-E71 IonicContact CZ-OE2 2.65Å; R25-E71 IonicContact NE-OE1 3.44Å; R25-E71 IonicContact NH1-OE2 3.53Å; R25-E71 IonicContact NH2-OE1 2.79Å; R25-E71 PolarHBondContact NH2-OE1 2.89Å; R25-E71 IonicContact NH2-OE2 2.96Å; R25-E71 PolarHBondContact NH2-OE2 2.85Å
26	C	88.9	Confident	71.8	Confident	45 Å²	45	93.2 Å²	93.2	30%	0.304	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	106.5	-177.9	-55.2	0	0	0	0	111.1	C57	C26-C57 WeakPolarHBondContact CA-SG 3.49Å; C26-C57 HydrophobicContact CB-CB 4.07Å; C26-C57 WeakPolarHBondContact CB-SG 3.39Å; C26-C57 WeakPolarHBondContact SG-CB 3.39Å; C26-C57 CovalentContact SG-SG 2.03Å; C26-C57 PolarHBondContact SG-SG 3.24Å
27	G	90.3	Very high	74.1	Confident	16 Å²	16	86.3 Å²	86.3	17%	0.165	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.2	169.5	0	0	0	0	0	111.3	R25 G58	R25-G27 PolarHBondContact O-N 2.8Å; G27-G58 VanDerWaalsContact CA-O 3.31Å; G27-G58 WeakPolarHBondContact CA-O 3.46Å; G27-G58 PolarHBondContact N-O 2.97Å
28	K	91.6	Very high	76.4	Confident	180 Å²	180	84.6 Å²	84.6	78%	0.783	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-98.3	143.7	167.7	-64.3	-175.3	-178.3	179.6	0	109.5	T30	K28-T30 PolarHBondContact O-N 3.11Å
29	F	95.4	Very high	78.6	Confident	23 Å²	23	85.9 Å²	85.9	10%	0.101	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-55	138.1	166.5	-167.5	-83.2	0	0	0	109.2	D31 L48 H83 P91 P92 L95 V112 D114 N116	F29-D31 PolarHBondContact O-N 2.87Å; F29-L48 HydrophobicContact CB-CD1 4.33Å; F29-L48 HydrophobicContact CD2-CD1 4.44Å; F29-H83 AromaticContact CE2-CD2 3.75Å; F29-H83 AromaticContact CZ-CD2 3.56Å; F29-H83 AromaticContact CZ-NE2 3.52Å; F29-P91 HydrophobicContact CB-CB 4.42Å; F29-P91 HydrophobicContact CD1-CB 3.64Å; F29-P91 HydrophobicContact CD1-CG 3.9Å; F29-P91 HydrophobicContact CE1-CB 4.28Å; F29-P91 HydrophobicContact CG-CB 4.25Å; F29-P92 HydrophobicContact CZ-CG 4.34Å; F29-L95 HydrophobicContact CB-CD2 4.45Å; F29-L95 HydrophobicContact CD2-CD2 3.57Å; F29-L95 HydrophobicContact CE2-CD2 4.11Å; F29-L95 HydrophobicContact CG-CD2 4.17Å; F29-V112 HydrophobicContact CD2-CG1 4.19Å; F29-V112 HydrophobicContact CE2-CG1 4.22Å; F29-D114 HydrophobicContact CD2-CB 3.76Å; F29-D114 HydrophobicContact CE2-CB 3.6Å; F29-D114 HydrophobicContact CZ-CB 4.23Å; F29-N116 HydrophobicContact CE1-CB 3.96Å; F29-N116 HydrophobicContact CZ-CB 4.16Å
30	T	96.7	Very high	80.8	Confident	11 Å²	11	79 Å²	79	7%	0.067	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-64	121.4	-177.8	-56.6	0	0	0	0	109.7	K28 L32 K46 D114 N116	K28-T30 PolarHBondContact O-N 3.11Å; T30-L32 HydrophobicContact CG2-CD1 4.35Å; T30-L32 HydrophobicContact CG2-CD2 3.81Å; T30-L32 HydrophobicContact CG2-CG 3.82Å; T30-K46 PolarHBondContact OG1-NZ 2.89Å; T30-D114 WeakPolarHBondContact CB-OD2 3.25Å; T30-D114 PolarHBondContact N-OD2 3.33Å; T30-D114 PolarHBondContact OG1-OD2 3.38Å; T30-N116 PolarHBondContact O-ND2 3.29Å
31	D	95.2	Very high	83.3	Confident	116 Å²	116	78.2 Å²	78.2	62%	0.62	42%	0.415	S	S	*	.			trans	-106.9	111.2	174.9	-167.7	1.4	0	0	0	108.4	F29 P91	F29-D31 PolarHBondContact O-N 2.87Å; D31-P91 HydrophobicContact CB-CG 3.91Å; D31-P91 VanDerWaalsContact CG-CD 3.5Å; D31-P91 VanDerWaalsContact OD1-CD 3.28Å; D31-P91 WeakPolarHBondContact OD1-CD 3.04Å
32	L	94.4	Very high	85.8	Confident	13 Å²	13	79 Å²	79	7%	0.068	42%	0.421	C	S	.	.			trans	-111.7	150.4	177.9	-58.6	176.9	0	0	0	108.8	T30 H36 T41 G89 A120	T30-L32 HydrophobicContact CG2-CD1 4.35Å; T30-L32 HydrophobicContact CG2-CD2 3.81Å; T30-L32 HydrophobicContact CG2-CG 3.82Å; L32-H36 HydrophobicContact CB-CB 4.06Å; L32-H36 HydrophobicContact CD1-CB 4.46Å; L32-T41 HydrophobicContact CD1-CG2 4.43Å; L32-G89 PolarHBondContact N-O 3.03Å; L32-G89 CarbonylContact O-C 3.52Å; L32-G89 WeakPolarHBondContact O-CA 3.39Å; L32-A120 HydrophobicContact CD1-CB 3.86Å
33	D	91.3	Very high	88.1	Confident	78 Å²	78	75.7 Å²	75.7	42%	0.417	40%	0.397	S	S	.	.			trans	-93.1	177.8	172.8	64.7	41.2	0	0	0	112.2	T35 H36 S37	D33-T35 PolarHBondContact O-N 3.32Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 VanDerWaalsContact OD1-CB 3.29Å; D33-T35 WeakPolarHBondContact OD1-CB 3.28Å; D33-T35 PolarHBondContact OD1-N 3.26Å; D33-T35 PolarHBondContact OD1-OG1 2.84Å; D33-H36 PolarHBondContact O-N 2.86Å; D33-H36 IonicContact OD1-CE1 2.77Å; D33-H36 IonicContact OD1-CG 3.81Å; D33-H36 PolarHBondContact OD1-N 3.36Å; D33-H36 IonicContact OD1-ND1 3.73Å; D33-H36 PolarHBondContact OD1-ND1 3Å; D33-H36 IonicContact OD2-CE1 3.27Å; D33-H36 IonicContact OD2-ND1 3.73Å; D33-H36 PolarHBondContact OD2-ND1 2.93Å; D33-S37 PolarHBondContact O-N 3.08Å; D33-S37 PolarHBondContact O-OG 2.64Å
34	I	90.2	Very high	90.3	Very high	87 Å²	87	74.3 Å²	74.3	45%	0.446	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-26.2	179.5	-163.5	63.6	0	0	0	113.1	S37 I38 P87	I34-S37 WeakPolarHBondContact O-CB 3.45Å; I34-S37 PolarHBondContact O-N 3.01Å; I34-S37 VanDerWaalsContact O-N 3.15Å; I34-I38 HydrophobicContact CG1-CD1 4.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.79Å; I34-P87 WeakPolarHBondContact CD1-O 3.48Å
35	T	92.7	Very high	92.3	Very high	73 Å²	73	67.2 Å²	67.2	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-39.1	-179.8	73.7	0	0	0	0	111	D33 S37 I38 I39	D33-T35 PolarHBondContact O-N 3.32Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 VanDerWaalsContact OD1-CB 3.29Å; D33-T35 WeakPolarHBondContact OD1-CB 3.28Å; D33-T35 PolarHBondContact OD1-N 3.26Å; D33-T35 PolarHBondContact OD1-OG1 2.84Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 PolarHBondContact O-N 2.87Å; T35-I38 PolarHBondContact O-N 2.77Å; T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 2.87Å
36	H	93.9	Very high	93.4	Very high	71 Å²	71	64.5 Å²	64.5	33%	0.329	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-36.9	171.7	-63.5	84.5	0	0	0	111.7	L32 D33 I38 G40 T41	L32-H36 HydrophobicContact CB-CB 4.06Å; L32-H36 HydrophobicContact CD1-CB 4.46Å; D33-H36 PolarHBondContact O-N 2.86Å; D33-H36 IonicContact OD1-CE1 2.77Å; D33-H36 IonicContact OD1-CG 3.81Å; D33-H36 PolarHBondContact OD1-N 3.36Å; D33-H36 IonicContact OD1-ND1 3.73Å; D33-H36 PolarHBondContact OD1-ND1 3Å; D33-H36 IonicContact OD2-CE1 3.27Å; D33-H36 IonicContact OD2-ND1 3.73Å; D33-H36 PolarHBondContact OD2-ND1 2.93Å; H36-I38 VanDerWaalsContact C-N 3.33Å; H36-G40 CarbonylContact O-C 3.54Å; H36-G40 WeakPolarHBondContact O-CA 3.4Å; H36-G40 PolarHBondContact O-N 3.39Å; H36-T41 HydrophobicContact CB-CG2 3.95Å
37	S	90.8	Very high	93.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.6	-29.8	178.7	-56.9	0	0	0	0	112.5	D33 I34 T35 P87 N121 I122	D33-S37 PolarHBondContact O-N 3.08Å; D33-S37 PolarHBondContact O-OG 2.64Å; I34-S37 WeakPolarHBondContact O-CB 3.45Å; I34-S37 PolarHBondContact O-N 3.01Å; I34-S37 VanDerWaalsContact O-N 3.15Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 PolarHBondContact O-N 2.87Å; S37-P87 WeakPolarHBondContact CB-O 3.38Å; S37-P87 PolarHBondContact OG-O 3.04Å; S37-P87 VanDerWaalsContact OG-O 3.1Å; S37-N121 CarbonylContact O-C 3.51Å; S37-N121 VanDerWaalsContact O-CA 3.32Å; S37-N121 WeakPolarHBondContact O-CA 3.47Å; S37-I122 PolarHBondContact O-N 3.29Å
38	I	91.1	Very high	94.2	Very high	102 Å²	102	61.6 Å²	61.6	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-77.6	-48.5	176.2	-66.4	163.8	0	0	0	111.1	I34 T35 H36 G40 I122	I34-I38 HydrophobicContact CG1-CD1 4.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.79Å; T35-I38 PolarHBondContact O-N 2.77Å; H36-I38 VanDerWaalsContact C-N 3.33Å; I38-G40 VanDerWaalsContact C-N 3.34Å; I38-I122 HydrophobicContact CG1-CD1 4.36Å; I38-I122 HydrophobicContact CG1-CG2 4.15Å
39	I	92.5	Very high	94.5	Very high	142 Å²	142	53.1 Å²	53.1	73%	0.728	28%	0.284	S	S	*	.	H	α-helix	trans	-72.2	-34.1	-178	-62.7	168.3	0	0	0	110.6	T35	T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 2.87Å
40	G	90.1	Very high	94.6	Very high	21 Å²	21	53.2 Å²	53.2	22%	0.216	28%	0.284	C	S	.	.			trans	85	156.9	-169.2	0	0	0	0	0	112	H36 I38 N121	H36-G40 CarbonylContact O-C 3.54Å; H36-G40 WeakPolarHBondContact O-CA 3.4Å; H36-G40 PolarHBondContact O-N 3.39Å; I38-G40 VanDerWaalsContact C-N 3.34Å; G40-N121 WeakPolarHBondContact CA-ND2 3.36Å
41	T	92.9	Very high	94.6	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.258	29%	0.285	S	S	.	.			trans	-129	162.5	174.3	81	0	0	0	0	111.1	L32 H36 H117	L32-T41 HydrophobicContact CD1-CG2 4.43Å; H36-T41 HydrophobicContact CB-CG2 3.95Å; T41-H117 VanDerWaalsContact OG1-C 3.3Å; T41-H117 VanDerWaalsContact OG1-CA 3.22Å; T41-H117 WeakPolarHBondContact OG1-CA 3.23Å; T41-H117 WeakPolarHBondContact OG1-CB 3.35Å; T41-H117 PolarHBondContact OG1-ND1 2.89Å; T41-H117 PolarHBondContact OG1-O 2.8Å
42	S	93.9	Very high	94.6	Very high	83 Å²	83	53.1 Å²	53.1	58%	0.58	28%	0.275	S	S	*	.			trans	-74.2	141.1	170.8	55.1	0	0	0	0	110.1	K44 H117	S42-K44 PolarHBondContact O-N 2.83Å; S42-H117 WeakPolarHBondContact O-CB 3.38Å
43	L	96.8	Very high	94.4	Very high	39 Å²	39	59.3 Å²	59.3	20%	0.204	31%	0.308	C	S	.	.			trans	-58	124.3	179.1	177.5	63.8	0	0	0	110.1	I45 K130 E133 V134	L43-I45 HydrophobicContact CD1-CG1 4.08Å; L43-I45 HydrophobicContact CD2-CD1 4.36Å; L43-I45 HydrophobicContact CG-CD1 4.48Å; L43-I45 HydrophobicContact CG-CG1 4.31Å; L43-K130 HydrophobicContact CB-CD 4.36Å; L43-K130 HydrophobicContact CD2-CD 4.39Å; L43-E133 HydrophobicContact CD2-CB 3.46Å; L43-E133 VanDerWaalsContact CD2-CB 3.46Å; L43-E133 HydrophobicContact CD2-CG 4.43Å; L43-E133 WeakPolarHBondContact CD2-OE2 3.34Å; L43-V134 HydrophobicContact CD1-CG2 3.81Å; L43-V134 HydrophobicContact CD2-CG2 4.14Å
44	K	97.2	Very high	94.3	Very high	117 Å²	117	59.1 Å²	59.1	51%	0.509	31%	0.307	S	S	.	.			trans	-134.4	134	169.6	-63.4	179.5	-176.6	177.6	0	107.5	S42 H117	S42-K44 PolarHBondContact O-N 2.83Å; K44-H117 HydrophobicContact CB-CB 3.98Å
45	I	98.4	Very high	94.3	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.128	30%	0.296	C	S	.	.			trans	-116.6	128.7	-179.6	-57.8	164.3	0	0	0	106.6	L43 L47 H63 V113 D114 W115 V134 N137	L43-I45 HydrophobicContact CD1-CG1 4.08Å; L43-I45 HydrophobicContact CD2-CD1 4.36Å; L43-I45 HydrophobicContact CG-CD1 4.48Å; L43-I45 HydrophobicContact CG-CG1 4.31Å; I45-L47 HydrophobicContact CG2-CD2 4.19Å; I45-H63 PolarHBondContact O-NE2 3.22Å; I45-V113 HydrophobicContact CG2-CG1 4.03Å; I45-D114 CarbonylContact C-O 3.53Å; I45-D114 WeakPolarHBondContact CA-O 3.24Å; I45-W115 HydrophobicContact CG1-CB 4.16Å; I45-V134 HydrophobicContact CD1-CB 4.17Å; I45-V134 HydrophobicContact CD1-CG1 4.18Å; I45-V134 HydrophobicContact CD1-CG2 3.93Å; I45-V134 HydrophobicContact CG1-CG2 4.25Å; I45-N137 HydrophobicContact CD1-CB 3.46Å; I45-N137 VanDerWaalsContact CD1-CB 3.46Å
46	K	97.9	Very high	94.1	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.6	169.5	-64.8	174.3	-175.6	161.8	0	108.1	T30 D114	T30-K46 PolarHBondContact OG1-NZ 2.89Å; K46-D114 HydrophobicContact CB-CB 4.15Å; K46-D114 PolarHBondContact N-O 3.18Å; K46-D114 PolarHBondContact O-N 2.84Å
47	L	98.4	Very high	94	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111	172.6	-58.8	178.7	0	0	0	107.5	I45 V60 L61 V111 V113 L138 F141	I45-L47 HydrophobicContact CG2-CD2 4.19Å; L47-V60 WeakPolarHBondContact O-CA 3.31Å; L47-L61 HydrophobicContact CB-CB 4.1Å; L47-L61 HydrophobicContact CB-CD1 4.45Å; L47-L61 PolarHBondContact O-N 3.34Å; L47-V111 HydrophobicContact CB-CG1 3.97Å; L47-V111 HydrophobicContact CD2-CG1 4.17Å; L47-V113 HydrophobicContact CD2-CB 4.36Å; L47-V113 HydrophobicContact CD2-CG1 4.2Å; L47-V113 HydrophobicContact CD2-CG2 3.89Å; L47-L138 HydrophobicContact CD2-CD2 3.69Å; L47-F141 HydrophobicContact CD1-CB 4.28Å; L47-F141 HydrophobicContact CD1-CD1 3.63Å; L47-F141 HydrophobicContact CD1-CD2 3.59Å; L47-F141 HydrophobicContact CD1-CE1 3.71Å; L47-F141 HydrophobicContact CD1-CE2 3.66Å; L47-F141 HydrophobicContact CD1-CG 3.55Å; L47-F141 HydrophobicContact CD1-CZ 3.71Å
48	L	97.9	Very high	94.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.8	179.8	-55	173.6	0	0	0	108.7	F29 Y50 V59 V60 V111 V112	F29-L48 HydrophobicContact CB-CD1 4.33Å; F29-L48 HydrophobicContact CD2-CD1 4.44Å; L48-Y50 HydrophobicContact CB-CE2 3.85Å; L48-V59 WeakPolarHBondContact CA-O 3.15Å; L48-V60 HydrophobicContact CD2-CG2 3.76Å; L48-V111 WeakPolarHBondContact O-CA 3.37Å; L48-V112 HydrophobicContact CB-CB 4.23Å; L48-V112 PolarHBondContact N-O 2.86Å; L48-V112 PolarHBondContact O-N 3.02Å
49	L	97.8	Very high	94.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129	176.5	176.6	64.6	0	0	0	110.9	T51 G58 V59 L61 E71 F72 N109 V110 V111	L49-T51 HydrophobicContact CD1-CG2 4.02Å; L49-T51 HydrophobicContact CD2-CG2 4.11Å; L49-T51 HydrophobicContact CG-CG2 3.94Å; L49-G58 CarbonylContact O-C 3.11Å; L49-G58 WeakPolarHBondContact O-CA 3.46Å; L49-V59 PolarHBondContact N-O 2.81Å; L49-V59 PolarHBondContact O-N 3.01Å; L49-L61 HydrophobicContact CB-CD1 3.92Å; L49-L61 HydrophobicContact CB-CD2 3.76Å; L49-L61 HydrophobicContact CB-CG 3.77Å; L49-L61 HydrophobicContact CD2-CD2 3.83Å; L49-L61 HydrophobicContact CG-CD2 4.44Å; L49-E71 HydrophobicContact CD2-CG 3.78Å; L49-F72 HydrophobicContact CD1-CD2 4.04Å; L49-F72 HydrophobicContact CD1-CE2 4.39Å; L49-F72 HydrophobicContact CD2-CB 3.5Å; L49-F72 HydrophobicContact CD2-CD2 3.98Å; L49-F72 HydrophobicContact CD2-CG 3.81Å; L49-N109 HydrophobicContact CD1-CB 3.8Å; L49-V110 WeakPolarHBondContact CA-O 3.32Å; L49-V111 HydrophobicContact CD1-CG2 4.07Å
50	Y	97.6	Very high	94.6	Very high	25 Å²	25	48.6 Å²	48.6	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138	167.3	-61.3	-98.7	0	0	0	108.8	L48 G58 T99 V110 V112	L48-Y50 HydrophobicContact CB-CE2 3.85Å; Y50-G58 VanDerWaalsContact CE1-CA 3.49Å; Y50-G58 VanDerWaalsContact CE1-N 3.31Å; Y50-G58 VanDerWaalsContact CZ-CA 3.41Å; Y50-T99 HydrophobicContact CD2-CG2 3.99Å; Y50-T99 HydrophobicContact CE2-CG2 4.22Å; Y50-T99 HydrophobicContact CG-CG2 4.33Å; Y50-V110 PolarHBondContact N-O 3.16Å; Y50-V110 PolarHBondContact O-N 3.27Å; Y50-V112 HydrophobicContact CD2-CG2 3.99Å; Y50-V112 HydrophobicContact CE2-CB 4.29Å; Y50-V112 HydrophobicContact CE2-CG2 3.72Å
51	T	96.6	Very high	94.8	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	172.4	176.1	69.1	0	0	0	0	109.5	L49 D53 D54 V55	L49-T51 HydrophobicContact CD1-CG2 4.02Å; L49-T51 HydrophobicContact CD2-CG2 4.11Å; L49-T51 HydrophobicContact CG-CG2 3.94Å; T51-D53 PolarHBondContact O-N 3.1Å; T51-D53 PolarHBondContact OG1-N 3.01Å; T51-D54 CarbonylContact O-C 3.11Å; T51-D54 VanDerWaalsContact O-C 3.28Å; T51-D54 PolarHBondContact O-N 3.44Å; T51-V55 PolarHBondContact O-N 2.83Å
52	R	94.4	Very high	95	Very high	110 Å²	110	47.1 Å²	47.1	42%	0.415	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.9	176.6	-74.5	-176.7	167.1	-167.8	-15.3	113.6	D54 L103 D104 Q106	R52-D54 VanDerWaalsContact C-N 3.31Å; R52-D54 PolarHBondContact O-N 3.1Å; R52-L103 HydrophobicContact CG-CB 4.29Å; R52-L103 HydrophobicContact CG-CD2 4.32Å; R52-L103 PolarHBondContact NE-O 2.91Å; R52-L103 PolarHBondContact NH2-O 2.91Å; R52-D104 PolarHBondContact NH2-O 2.79Å; R52-Q106 PolarHBondContact NE-O 3.49Å; R52-Q106 PolarHBondContact NH2-O 2.89Å
53	D	90.8	Very high	95	Very high	144 Å²	144	45.4 Å²	45.4	77%	0.77	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-38	179.2	-65.4	-27.1	0	0	0	111.7	T51	T51-D53 PolarHBondContact O-N 3.1Å; T51-D53 PolarHBondContact OG1-N 3.01Å
54	D	87.9	Confident	94.8	Very high	73 Å²	73	48.4 Å²	48.4	39%	0.39	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	97.7	171.3	-167.9	-20.5	0	0	0	111.3	T51 R52 N56 C57	T51-D54 CarbonylContact O-C 3.11Å; T51-D54 VanDerWaalsContact O-C 3.28Å; T51-D54 PolarHBondContact O-N 3.44Å; R52-D54 VanDerWaalsContact C-N 3.31Å; R52-D54 PolarHBondContact O-N 3.1Å; D54-N56 PolarHBondContact O-N 3.33Å; D54-N56 PolarHBondContact OD1-N 2.77Å; D54-C57 HydrophobicContact CB-CB 4.02Å; D54-C57 PolarHBondContact OD1-N 3.15Å; D54-C57 VanDerWaalsContact OD1-N 3.1Å; D54-C57 WeakPolarHBondContact OD2-CB 3.42Å
55	V	90.2	Very high	94.6	Very high	35 Å²	35	48.1 Å²	48.1	21%	0.212	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-12.9	-179.4	-57.8	0	0	0	0	113.8	T51 L103	T51-V55 PolarHBondContact O-N 2.83Å; V55-L103 HydrophobicContact CB-CD1 4.32Å; V55-L103 HydrophobicContact CG1-CB 4.38Å; V55-L103 HydrophobicContact CG1-CD1 4.01Å
56	N	89.6	Confident	94.3	Very high	127 Å²	127	47.5 Å²	47.5	68%	0.679	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	-15.5	-176.6	-61.6	-54.3	0	0	0	112.9	D54	D54-N56 PolarHBondContact O-N 3.33Å; D54-N56 PolarHBondContact OD1-N 2.77Å
57	C	91	Very high	93.8	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.081	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.6	-177.7	-175.9	0	0	0	0	111.4	C26 D54 V59	C26-C57 WeakPolarHBondContact CA-SG 3.49Å; C26-C57 HydrophobicContact CB-CB 4.07Å; C26-C57 WeakPolarHBondContact CB-SG 3.39Å; C26-C57 WeakPolarHBondContact SG-CB 3.39Å; C26-C57 CovalentContact SG-SG 2.03Å; C26-C57 PolarHBondContact SG-SG 3.24Å; D54-C57 HydrophobicContact CB-CB 4.02Å; D54-C57 PolarHBondContact OD1-N 3.15Å; D54-C57 VanDerWaalsContact OD1-N 3.1Å; D54-C57 WeakPolarHBondContact OD2-CB 3.42Å; C57-V59 PolarHBondContact O-N 3.07Å
58	G	94.6	Very high	93.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	100.7	171.8	0	0	0	0	0	110.7	G27 L49 Y50 V60	G27-G58 VanDerWaalsContact CA-O 3.31Å; G27-G58 WeakPolarHBondContact CA-O 3.46Å; G27-G58 PolarHBondContact N-O 2.97Å; L49-G58 CarbonylContact O-C 3.11Å; L49-G58 WeakPolarHBondContact O-CA 3.46Å; Y50-G58 VanDerWaalsContact CE1-CA 3.49Å; Y50-G58 VanDerWaalsContact CE1-N 3.31Å; Y50-G58 VanDerWaalsContact CZ-CA 3.41Å; G58-V60 PolarHBondContact O-N 2.85Å
59	V	95.7	Very high	93.2	Very high	16 Å²	16	54.6 Å²	54.6	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.6	177.6	-176.7	0	0	0	0	109.6	R25 L48 L49 C57 L61 E71	R25-V59 HydrophobicContact CG-CG1 4.14Å; R25-V59 HydrophobicContact CG-CG2 4.33Å; L48-V59 WeakPolarHBondContact CA-O 3.15Å; L49-V59 PolarHBondContact N-O 2.81Å; L49-V59 PolarHBondContact O-N 3.01Å; C57-V59 PolarHBondContact O-N 3.07Å; V59-L61 PolarHBondContact O-N 2.75Å; V59-E71 VanDerWaalsContact CG1-OE1 3.3Å; V59-E71 WeakPolarHBondContact CG1-OE1 3.28Å
60	V	96.3	Very high	92.9	Very high	63 Å²	63	59.9 Å²	59.9	38%	0.382	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.6	176.4	-174.4	0	0	0	0	109.1	L47 L48 G58 H69	L47-V60 WeakPolarHBondContact O-CA 3.31Å; L48-V60 HydrophobicContact CD2-CG2 3.76Å; G58-V60 PolarHBondContact O-N 2.85Å; V60-H69 PolarHBondContact O-CE1 1.99Å
61	L	96.3	Very high	92.7	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	33%	0.332	C	S	.	.			trans	-78.8	140.2	177.3	-61.3	-177.2	0	0	0	111.8	L47 L49 V59 H69 F72 V111 F141	L47-L61 HydrophobicContact CB-CB 4.1Å; L47-L61 HydrophobicContact CB-CD1 4.45Å; L47-L61 PolarHBondContact O-N 3.34Å; L49-L61 HydrophobicContact CB-CD1 3.92Å; L49-L61 HydrophobicContact CB-CD2 3.76Å; L49-L61 HydrophobicContact CB-CG 3.77Å; L49-L61 HydrophobicContact CD2-CD2 3.83Å; L49-L61 HydrophobicContact CG-CD2 4.44Å; V59-L61 PolarHBondContact O-N 2.75Å; L61-H69 HydrophobicContact CD2-CB 3.85Å; L61-H69 VanDerWaalsContact CD2-CG 3.46Å; L61-F72 HydrophobicContact CD1-CD1 3.76Å; L61-F72 HydrophobicContact CD1-CE1 3.7Å; L61-F72 HydrophobicContact CD1-CG 4.41Å; L61-F72 HydrophobicContact CD1-CZ 4.27Å; L61-F72 HydrophobicContact CD2-CD1 4.2Å; L61-V111 HydrophobicContact CD1-CG2 4.41Å; L61-F141 HydrophobicContact CD1-CZ 3.72Å
62	S	95.3	Very high	92.6	Very high	28 Å²	28	60 Å²	60	20%	0.196	33%	0.33	C	S	.	.			trans	-68.5	131	160.7	179.5	0	0	0	0	109.4	T64 K65 H69	S62-T64 PolarHBondContact O-N 2.86Å; S62-T64 PolarHBondContact OG-N 2.72Å; S62-K65 WeakPolarHBondContact OG-CB 3.13Å; S62-K65 PolarHBondContact OG-N 2.6Å; S62-K65 VanDerWaalsContact OG-N 3.1Å; S62-H69 PolarHBondContact N-NE2 2.85Å
63	H	93.9	Very high	92.6	Very high	47 Å²	47	58.1 Å²	58.1	22%	0.218	33%	0.328	C	S	.	.	S	Bend	trans	-71	-13.7	179	-73.4	-119.8	0	0	0	113	I45 N137 I144	I45-H63 PolarHBondContact O-NE2 3.22Å; H63-N137 PolarHBondContact CE1-OD1 3.45Å; H63-N137 PolarHBondContact ND1-ND2 2.85Å; H63-N137 PolarHBondContact ND1-OD1 2.81Å; H63-I144 WeakPolarHBondContact O-CD1 3.33Å
64	T	93.8	Very high	92.9	Very high	101 Å²	101	52.3 Å²	52.3	62%	0.62	30%	0.297	S	S	*	.	S	Bend	trans	-128	-19	-174.7	55.3	0	0	0	0	114.5	S62 I144	S62-T64 PolarHBondContact O-N 2.86Å; S62-T64 PolarHBondContact OG-N 2.72Å; T64-I144 HydrophobicContact CG2-CD1 4.5Å
65	K	93.6	Very high	93.2	Very high	112 Å²	112	53.8 Å²	53.8	49%	0.487	31%	0.313	S	S	.	.			trans	-120.1	73.3	-173.5	-57.3	-176.7	-177.8	175.9	0	111.7	S62 A67 E68	S62-K65 WeakPolarHBondContact OG-CB 3.13Å; S62-K65 PolarHBondContact OG-N 2.6Å; S62-K65 VanDerWaalsContact OG-N 3.1Å; K65-A67 PolarHBondContact O-N 2.87Å; K65-E68 HydrophobicContact CB-CG 4.04Å; K65-E68 VanDerWaalsContact CD-CD 3.44Å; K65-E68 HydrophobicContact CD-CG 4.38Å; K65-E68 WeakPolarHBondContact CD-OE1 3.48Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact NZ-OE1 3.26Å; K65-E68 VanDerWaalsContact NZ-OE1 3.1Å; K65-E68 PolarHBondContact O-N 3.19Å; K65-E68 VanDerWaalsContact O-N 3.15Å
66	L	90.8	Very high	93.6	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.058	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30.1	-179.5	-58.8	-174.3	0	0	0	112.9	E68 H69 F72 M74 F141 I144 M145 H148	L66-E68 PolarHBondContact O-N 2.89Å; L66-E68 VanDerWaalsContact O-N 3.14Å; L66-H69 WeakPolarHBondContact O-CB 3.23Å; L66-H69 PolarHBondContact O-N 2.79Å; L66-F72 HydrophobicContact CD2-CD1 4.02Å; L66-F72 HydrophobicContact CD2-CE1 3.93Å; L66-M74 HydrophobicContact CD1-CE 4.12Å; L66-M74 HydrophobicContact CD1-SD 4.03Å; L66-F141 HydrophobicContact CD2-CD2 4.49Å; L66-F141 HydrophobicContact CD2-CE2 3.57Å; L66-F141 HydrophobicContact CD2-CZ 3.92Å; L66-I144 HydrophobicContact CD1-CG2 3.79Å; L66-I144 HydrophobicContact CG-CG2 3.98Å; L66-M145 HydrophobicContact CD1-CG 4.08Å; L66-H148 HydrophobicContact CD1-CB 4.35Å
67	A	88.5	Confident	94	Very high	94 Å²	94	49.5 Å²	49.5	78%	0.777	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.6	177.7	0	0	0	0	0	114.4	K65 H69	K65-A67 PolarHBondContact O-N 2.87Å; A67-H69 PolarHBondContact O-N 3.37Å
68	E	91	Very high	94.3	Very high	108 Å²	108	49 Å²	49	51%	0.505	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-76	-4.9	173	-65.3	178.3	174	0	0	112.3	K65 L66 P70	K65-E68 HydrophobicContact CB-CG 4.04Å; K65-E68 VanDerWaalsContact CD-CD 3.44Å; K65-E68 HydrophobicContact CD-CG 4.38Å; K65-E68 WeakPolarHBondContact CD-OE1 3.48Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact NZ-OE1 3.26Å; K65-E68 VanDerWaalsContact NZ-OE1 3.1Å; K65-E68 PolarHBondContact O-N 3.19Å; K65-E68 VanDerWaalsContact O-N 3.15Å; L66-E68 PolarHBondContact O-N 2.89Å; L66-E68 VanDerWaalsContact O-N 3.14Å; E68-P70 WeakPolarHBondContact O-CD 3.49Å
69	H	92.5	Very high	94.5	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	29%	0.288	C	S	.	.			trans	-123.8	75.1	-175.9	-58	-73	0	0	0	111.5	V60 L61 S62 L66 A67 E71 F72	V60-H69 PolarHBondContact O-CE1 1.99Å; L61-H69 HydrophobicContact CD2-CB 3.85Å; L61-H69 VanDerWaalsContact CD2-CG 3.46Å; S62-H69 PolarHBondContact N-NE2 2.85Å; L66-H69 WeakPolarHBondContact O-CB 3.23Å; L66-H69 PolarHBondContact O-N 2.79Å; A67-H69 PolarHBondContact O-N 3.37Å; H69-E71 IonicContact ND1-OE1 2.78Å; H69-E71 PolarHBondContact O-N 2.84Å; H69-E71 VanDerWaalsContact O-N 3.14Å; H69-F72 HydrophobicContact CB-CB 4.03Å; H69-F72 WeakPolarHBondContact O-CB 3.47Å; H69-F72 PolarHBondContact O-N 2.93Å
70	P	91.4	Very high	94.7	Very high	113 Å²	113	48.4 Å²	48.4	73%	0.734	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.7	-178.5	25.3	-35.6	0	0	0	114.4	E68 F72	E68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-F72 VanDerWaalsContact C-N 3.29Å
71	E	91.8	Very high	94.8	Very high	31 Å²	31	45.4 Å²	45.4	15%	0.145	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.8	172.7	65.6	-81	-167.8	0	0	113.4	R25 L49 V59 H69 N73	R25-E71 IonicContact CZ-OE1 3.71Å; R25-E71 IonicContact CZ-OE2 2.65Å; R25-E71 IonicContact NE-OE1 3.44Å; R25-E71 IonicContact NH1-OE2 3.53Å; R25-E71 IonicContact NH2-OE1 2.79Å; R25-E71 PolarHBondContact NH2-OE1 2.89Å; R25-E71 IonicContact NH2-OE2 2.96Å; R25-E71 PolarHBondContact NH2-OE2 2.85Å; L49-E71 HydrophobicContact CD2-CG 3.78Å; V59-E71 VanDerWaalsContact CG1-OE1 3.3Å; V59-E71 WeakPolarHBondContact CG1-OE1 3.28Å; H69-E71 IonicContact ND1-OE1 2.78Å; H69-E71 PolarHBondContact O-N 2.84Å; H69-E71 VanDerWaalsContact O-N 3.14Å; E71-N73 PolarHBondContact O-N 3.2Å
72	F	95.4	Very high	94.9	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	27%	0.265	C	S	.	.			trans	-87.2	91.6	-179.4	-166.6	-164.3	0	0	0	110.5	L49 L61 L66 H69 P70 M74 T78 N109 V111 F141 M145	L49-F72 HydrophobicContact CD1-CD2 4.04Å; L49-F72 HydrophobicContact CD1-CE2 4.39Å; L49-F72 HydrophobicContact CD2-CB 3.5Å; L49-F72 HydrophobicContact CD2-CD2 3.98Å; L49-F72 HydrophobicContact CD2-CG 3.81Å; L61-F72 HydrophobicContact CD1-CD1 3.76Å; L61-F72 HydrophobicContact CD1-CE1 3.7Å; L61-F72 HydrophobicContact CD1-CG 4.41Å; L61-F72 HydrophobicContact CD1-CZ 4.27Å; L61-F72 HydrophobicContact CD2-CD1 4.2Å; L66-F72 HydrophobicContact CD2-CD1 4.02Å; L66-F72 HydrophobicContact CD2-CE1 3.93Å; H69-F72 HydrophobicContact CB-CB 4.03Å; H69-F72 WeakPolarHBondContact O-CB 3.47Å; H69-F72 PolarHBondContact O-N 2.93Å; P70-F72 VanDerWaalsContact C-N 3.29Å; F72-M74 HydrophobicContact CB-CE 4.13Å; F72-M74 HydrophobicContact CD1-CE 3.24Å; F72-M74 HydrophobicContact CD2-CE 3.57Å; F72-M74 HydrophobicContact CE1-CE 3.34Å; F72-M74 HydrophobicContact CE1-SD 4.5Å; F72-M74 HydrophobicContact CE2-CE 3.67Å; F72-M74 HydrophobicContact CG-CE 3.36Å; F72-M74 HydrophobicContact CZ-CE 3.57Å; F72-M74 WeakPolarHBondContact O-CE 3.4Å; F72-M74 PolarHBondContact O-N 3.47Å; F72-T78 HydrophobicContact CE2-CG2 4.34Å; F72-N109 HydrophobicContact CD2-CB 3.97Å; F72-N109 VanDerWaalsContact CD2-CG 3.5Å; F72-N109 HydrophobicContact CE2-CB 3.72Å; F72-V111 HydrophobicContact CE2-CG2 4.43Å; F72-V111 HydrophobicContact CZ-CG2 4.38Å; F72-F141 HydrophobicContact CE1-CE1 4.12Å; F72-F141 AromaticContact CE1-CZ 3.62Å; F72-F141 HydrophobicContact CE1-CZ 3.62Å; F72-F141 HydrophobicContact CZ-CE1 4.29Å; F72-F141 HydrophobicContact CZ-CZ 4.23Å; F72-M145 HydrophobicContact CE1-CG 4.22Å; F72-M145 HydrophobicContact CE1-SD 4.35Å; F72-M145 HydrophobicContact CE2-CE 4.3Å; F72-M145 HydrophobicContact CZ-CE 3.71Å; F72-M145 HydrophobicContact CZ-CG 4.16Å; F72-M145 HydrophobicContact CZ-SD 3.82Å
73	N	95.2	Very high	95.1	Very high	71 Å²	71	44 Å²	44	38%	0.38	26%	0.256	S	S	.	.			trans	-86.8	107.7	-175.2	-175.6	-10.5	0	0	0	111.8	E71 S75 N76 N109	E71-N73 PolarHBondContact O-N 3.2Å; N73-S75 PolarHBondContact O-N 3.4Å; N73-S75 VanDerWaalsContact O-N 3.13Å; N73-S75 WeakPolarHBondContact OD1-CB 3.34Å; N73-S75 PolarHBondContact OD1-N 3.23Å; N73-N76 HydrophobicContact CB-CB 4.33Å; N73-N76 PolarHBondContact ND2-OD1 3.36Å; N73-N76 WeakPolarHBondContact O-CB 3.35Å; N73-N76 PolarHBondContact O-N 2.98Å; N73-N109 PolarHBondContact N-OD1 3.06Å; N73-N109 PolarHBondContact O-ND2 3.28Å
74	M	95.4	Very high	95.2	Very high	22 Å²	22	42 Å²	42	11%	0.108	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.7	-179.7	-65.2	-55.6	109.6	0	0	114.4	L66 F72 N76 M145 H148 A150	L66-M74 HydrophobicContact CD1-CE 4.12Å; L66-M74 HydrophobicContact CD1-SD 4.03Å; F72-M74 HydrophobicContact CB-CE 4.13Å; F72-M74 HydrophobicContact CD1-CE 3.24Å; F72-M74 HydrophobicContact CD2-CE 3.57Å; F72-M74 HydrophobicContact CE1-CE 3.34Å; F72-M74 HydrophobicContact CE1-SD 4.5Å; F72-M74 HydrophobicContact CE2-CE 3.67Å; F72-M74 HydrophobicContact CG-CE 3.36Å; F72-M74 HydrophobicContact CZ-CE 3.57Å; F72-M74 WeakPolarHBondContact O-CE 3.4Å; F72-M74 PolarHBondContact O-N 3.47Å; M74-N76 VanDerWaalsContact C-N 3.32Å; M74-M145 HydrophobicContact SD-CB 3.87Å; M74-M145 HydrophobicContact SD-CE 4.48Å; M74-M145 HydrophobicContact SD-CG 4.01Å; M74-H148 HydrophobicContact CG-CB 3.89Å; M74-H148 HydrophobicContact SD-CB 4.44Å; M74-A150 HydrophobicContact CB-CB 4.28Å; M74-A150 WeakPolarHBondContact O-CA 3.37Å; M74-A150 HydrophobicContact SD-CB 4.1Å
75	S	95.3	Very high	95.3	Very high	104 Å²	104	39.9 Å²	39.9	73%	0.727	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.4	176.7	-61.2	0	0	0	0	113.1	N73	N73-S75 PolarHBondContact O-N 3.4Å; N73-S75 VanDerWaalsContact O-N 3.13Å; N73-S75 WeakPolarHBondContact OD1-CB 3.34Å; N73-S75 PolarHBondContact OD1-N 3.23Å
76	N	97.4	Very high	95.3	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	21%	0.212	C	C	.	.	S	Bend	trans	-80.2	145.7	177	-76.5	4.5	0	0	0	110.6	N73 M74 T78 D107	N73-N76 HydrophobicContact CB-CB 4.33Å; N73-N76 PolarHBondContact ND2-OD1 3.36Å; N73-N76 WeakPolarHBondContact O-CB 3.35Å; N73-N76 PolarHBondContact O-N 2.98Å; M74-N76 VanDerWaalsContact C-N 3.32Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 PolarHBondContact O-OG1 2.97Å; N76-D107 PolarHBondContact ND2-OD2 3.3Å
77	P	98.1	Very high	95.1	Very high	43 Å²	43	37.9 Å²	37.9	28%	0.279	23%	0.226	S	C	.	.			trans	-52.4	142.9	168.1	-23.4	33.4	0	0	0	110.5	M108 N109	P77-M108 HydrophobicContact CB-CB 4.47Å; P77-M108 WeakPolarHBondContact O-CA 3.33Å; P77-M108 WeakPolarHBondContact O-CB 3.47Å; P77-N109 PolarHBondContact O-N 2.98Å
78	T	98.7	Very high	95.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.4	-178.4	-58.3	0	0	0	0	110.5	F72 N76 F80 N109 V111 M145 S154 I155 H156	F72-T78 HydrophobicContact CE2-CG2 4.34Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 PolarHBondContact O-OG1 2.97Å; T78-F80 HydrophobicContact CG2-CD2 4.02Å; T78-F80 HydrophobicContact CG2-CE2 3.53Å; T78-F80 HydrophobicContact CG2-CZ 4.1Å; T78-N109 CarbonylContact C-O 3.56Å; T78-N109 WeakPolarHBondContact CA-O 3.46Å; T78-N109 HydrophobicContact CG2-CB 3.93Å; T78-N109 PolarHBondContact OG1-ND2 3.33Å; T78-V111 HydrophobicContact CG2-CG2 3.96Å; T78-M145 HydrophobicContact CG2-CE 3.93Å; T78-S154 PolarHBondContact N-O 3.4Å; T78-S154 VanDerWaalsContact N-O 3.14Å; T78-I155 WeakPolarHBondContact O-CA 2.97Å; T78-H156 PolarHBondContact O-N 3.29Å
79	T	98.8	Very high	95	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.4	176.4	-63	0	0	0	0	110	L102 N109 V110 V111 H156 I158	T79-L102 HydrophobicContact CG2-CD1 3.97Å; T79-N109 PolarHBondContact N-O 3.22Å; T79-V110 CarbonylContact O-C 3.56Å; T79-V110 WeakPolarHBondContact O-CA 3.4Å; T79-V111 PolarHBondContact O-N 3.49Å; T79-H156 CarbonylContact C-O 3.51Å; T79-H156 VanDerWaalsContact CA-O 3.24Å; T79-H156 WeakPolarHBondContact CA-O 3.26Å; T79-H156 HydrophobicContact CG2-CB 4.4Å; T79-I158 HydrophobicContact CG2-CD1 3.59Å; T79-I158 HydrophobicContact CG2-CG1 3.98Å
80	F	98.9	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.3	173.2	-68.9	-103.3	0	0	0	110.2	T78 I82 V111 V113 F141 I142 M145 I155 H156 L157 I158	T78-F80 HydrophobicContact CG2-CD2 4.02Å; T78-F80 HydrophobicContact CG2-CE2 3.53Å; T78-F80 HydrophobicContact CG2-CZ 4.1Å; F80-I82 HydrophobicContact CB-CD1 4.41Å; F80-I82 HydrophobicContact CB-CG1 4.33Å; F80-V111 CarbonylContact C-O 3.5Å; F80-V111 VanDerWaalsContact CA-O 3.24Å; F80-V111 WeakPolarHBondContact CA-O 3.2Å; F80-V111 HydrophobicContact CD1-CB 3.72Å; F80-V111 HydrophobicContact CD1-CG1 3.75Å; F80-V111 HydrophobicContact CE1-CB 3.82Å; F80-V111 HydrophobicContact CE1-CG1 3.67Å; F80-V111 HydrophobicContact CE1-CG2 4.27Å; F80-V111 HydrophobicContact CG-CB 4.26Å; F80-V111 HydrophobicContact CZ-CB 4.43Å; F80-V111 HydrophobicContact CZ-CG2 4.47Å; F80-V113 HydrophobicContact CD1-CG2 3.9Å; F80-F141 HydrophobicContact CE1-CD1 4.12Å; F80-F141 HydrophobicContact CE1-CE1 4.1Å; F80-F141 HydrophobicContact CZ-CD1 4.14Å; F80-F141 HydrophobicContact CZ-CE1 4.06Å; F80-I142 HydrophobicContact CE2-CD1 4.33Å; F80-I142 HydrophobicContact CE2-CG1 4.24Å; F80-I142 HydrophobicContact CZ-CD1 4.31Å; F80-I142 HydrophobicContact CZ-CG1 3.93Å; F80-M145 HydrophobicContact CE2-CE 4.44Å; F80-M145 HydrophobicContact CE2-SD 4.32Å; F80-M145 HydrophobicContact CZ-CE 4.38Å; F80-M145 HydrophobicContact CZ-SD 3.75Å; F80-I155 HydrophobicContact CD2-CG2 3.87Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; F80-H156 PolarHBondContact N-O 3.09Å; F80-L157 HydrophobicContact CB-CD2 3.68Å; F80-L157 HydrophobicContact CD2-CD2 3.57Å; F80-L157 HydrophobicContact CE2-CD2 4.41Å; F80-L157 HydrophobicContact CG-CD2 3.78Å; F80-I158 PolarHBondContact O-N 3.35Å
81	I	98.9	Very high	95.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.2	169.7	-57.7	176.4	0	0	0	108	W94 L95 F98 T99 L102 V110 V111 V112 V113	I81-W94 HydrophobicContact CG2-CH2 4.14Å; I81-W94 HydrophobicContact CG2-CZ3 3.86Å; I81-L95 HydrophobicContact CG2-CD1 4.2Å; I81-F98 HydrophobicContact CD1-CB 4.47Å; I81-F98 HydrophobicContact CD1-CD1 4.2Å; I81-F98 HydrophobicContact CD1-CD2 4.45Å; I81-F98 HydrophobicContact CD1-CG 4.12Å; I81-F98 HydrophobicContact CG2-CD1 4.47Å; I81-T99 HydrophobicContact CD1-CG2 3.91Å; I81-L102 HydrophobicContact CD1-CD1 3.83Å; I81-L102 HydrophobicContact CG1-CD1 4.19Å; I81-V110 HydrophobicContact CD1-CG1 3.89Å; I81-V110 HydrophobicContact CG1-CG1 4.28Å; I81-V111 PolarHBondContact N-O 2.86Å; I81-V112 HydrophobicContact CB-CG2 4.45Å; I81-V112 HydrophobicContact CD1-CG2 4.41Å; I81-V113 PolarHBondContact O-N 2.99Å
82	I	98.9	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.3	-174.9	-54.1	164	0	0	0	108.3	F80 V113 L138 L157 I158 V160 I166 S167	F80-I82 HydrophobicContact CB-CD1 4.41Å; F80-I82 HydrophobicContact CB-CG1 4.33Å; I82-V113 HydrophobicContact CG1-CB 4.05Å; I82-V113 HydrophobicContact CG1-CG2 3.75Å; I82-L138 HydrophobicContact CD1-CD1 3.89Å; I82-L138 HydrophobicContact CG1-CD1 4.34Å; I82-L157 HydrophobicContact CD1-CB 4.47Å; I82-I158 PolarHBondContact N-O 3.13Å; I82-V160 PolarHBondContact O-N 2.94Å; I82-I166 HydrophobicContact CD1-CG2 4.43Å; I82-I166 HydrophobicContact CG2-CB 4.13Å; I82-I166 HydrophobicContact CG2-CD1 4.1Å; I82-I166 HydrophobicContact CG2-CG2 3.99Å; I82-S167 WeakPolarHBondContact CD1-OG 3.48Å
83	H	98.4	Very high	94.9	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	21%	0.208	C	C	.	.			trans	-74.5	169.5	178.4	71.5	80.5	0	0	0	111.9	F29 V113 W115 V160	F29-H83 AromaticContact CE2-CD2 3.75Å; F29-H83 AromaticContact CZ-CD2 3.56Å; F29-H83 AromaticContact CZ-NE2 3.52Å; H83-V113 PolarHBondContact CD2-O 3.32Å; H83-V113 PolarHBondContact NE2-O 3.44Å; H83-W115 AromaticContact CD2-CD1 3.8Å; H83-W115 AromaticContact CD2-NE1 3.95Å; H83-W115 AromaticContact CE1-CD1 3.4Å; H83-W115 AromaticContact CE1-CE2 3.81Å; H83-W115 AromaticContact CE1-CG 3.91Å; H83-W115 AromaticContact CE1-NE1 3.32Å; H83-W115 PolarHBondContact CE1-NE1 3.21Å; H83-W115 VanDerWaalsContact CE1-NE1 3.32Å; H83-W115 AromaticContact CG-NE1 3.84Å; H83-W115 AromaticContact ND1-CD1 3.94Å; H83-W115 AromaticContact ND1-NE1 3.44Å; H83-W115 PolarHBondContact ND1-NE1 2.86Å; H83-W115 AromaticContact NE2-CD1 3.3Å; H83-W115 VanDerWaalsContact NE2-CD1 3.3Å; H83-W115 AromaticContact NE2-CG 3.95Å; H83-W115 PolarHBondContact NE2-N 2.99Å; H83-W115 AromaticContact NE2-NE1 3.65Å; H83-W115 PolarHBondContact O-NE1 2.8Å; H83-V160 CarbonylContact C-O 3.46Å
84	G	96.9	Very high	94.8	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	19%	0.191	C	C	.	.			trans	-108.2	-148.1	177.1	0	0	0	0	0	114.2	R86 A119 V160	G84-R86 WeakPolarHBondContact O-CG 3.41Å; G84-A119 WeakPolarHBondContact O-CB 3.41Å; G84-V160 VanDerWaalsContact CA-O 3.32Å; G84-V160 WeakPolarHBondContact CA-O 2.99Å; G84-V160 PolarHBondContact N-O 3.23Å; G84-V160 VanDerWaalsContact N-O 3.16Å
85	F	96.4	Very high	94.8	Very high	57 Å²	57	32 Å²	32	25%	0.25	19%	0.189	C	C	.	.			trans	-57	134.7	-178.9	-176.8	-132.8	0	0	0	113.2	P87 A119 N121 Y124 V127 L162	F85-P87 HydrophobicContact CD1-CG 4.28Å; F85-P87 HydrophobicContact CE1-CB 3.84Å; F85-P87 HydrophobicContact CE1-CG 3.9Å; F85-P87 HydrophobicContact CZ-CB 3.79Å; F85-P87 HydrophobicContact CZ-CG 4.34Å; F85-A119 WeakPolarHBondContact CD2-O 3.36Å; F85-N121 WeakPolarHBondContact CE2-O 3.39Å; F85-N121 WeakPolarHBondContact CZ-O 3.39Å; F85-Y124 HydrophobicContact CD1-CD2 4.04Å; F85-Y124 HydrophobicContact CD2-CD2 4.26Å; F85-Y124 HydrophobicContact CE1-CD2 4.2Å; F85-Y124 HydrophobicContact CE2-CD2 4.38Å; F85-Y124 HydrophobicContact CG-CD2 4.09Å; F85-Y124 HydrophobicContact CG-CE2 4.43Å; F85-Y124 HydrophobicContact CZ-CD2 4.37Å; F85-V127 HydrophobicContact CD2-CB 4.11Å; F85-V127 HydrophobicContact CD2-CG1 4.02Å; F85-V127 HydrophobicContact CD2-CG2 3.86Å; F85-V127 HydrophobicContact CE2-CB 4.34Å; F85-V127 HydrophobicContact CE2-CG2 3.7Å; F85-L162 HydrophobicContact CB-CD1 3.88Å; F85-L162 HydrophobicContact CB-CG 4.44Å
86	R	92.3	Very high	94.7	Very high	27 Å²	27	30.6 Å²	30.6	10%	0.102	18%	0.179	C	C	.	.			trans	-131.7	70.5	-175.2	-53.8	-60	-77.2	-175.1	5.7	111.3	G84 T88 G89 S90 P91 N116 A119 A120	G84-R86 WeakPolarHBondContact O-CG 3.41Å; R86-T88 PolarHBondContact O-N 3.48Å; R86-G89 PolarHBondContact O-N 2.8Å; R86-S90 PolarHBondContact NE-O 2.99Å; R86-S90 VanDerWaalsContact NE-O 3.13Å; R86-S90 PolarHBondContact NH2-O 2.72Å; R86-P91 PolarHBondContact NH2-O 3.23Å; R86-N116 WeakPolarHBondContact CB-OD1 3.25Å; R86-N116 VanDerWaalsContact CG-OD1 3.27Å; R86-N116 WeakPolarHBondContact CG-OD1 3.31Å; R86-A119 HydrophobicContact CB-CB 4.18Å; R86-A119 HydrophobicContact CG-CB 3.85Å; R86-A119 PolarHBondContact N-O 2.03Å; R86-A120 VanDerWaalsContact O-CA 3.24Å; R86-A120 WeakPolarHBondContact O-CA 3.5Å
87	P	87.6	Confident	94.6	Very high	54 Å²	54	33.2 Å²	33.2	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.8	-172	24.5	-34.8	0	0	0	114.9	I34 S37 F85	I34-P87 WeakPolarHBondContact CD1-O 3.48Å; S37-P87 WeakPolarHBondContact CB-O 3.38Å; S37-P87 PolarHBondContact OG-O 3.04Å; S37-P87 VanDerWaalsContact OG-O 3.1Å; F85-P87 HydrophobicContact CD1-CG 4.28Å; F85-P87 HydrophobicContact CE1-CB 3.84Å; F85-P87 HydrophobicContact CE1-CG 3.9Å; F85-P87 HydrophobicContact CZ-CB 3.79Å; F85-P87 HydrophobicContact CZ-CG 4.34Å
88	T	87.4	Confident	94.6	Very high	66 Å²	66	31.1 Å²	31.1	41%	0.405	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-7	176.3	59.1	0	0	0	0	113.7	R86 S90	R86-T88 PolarHBondContact O-N 3.48Å; T88-S90 PolarHBondContact O-N 2.69Å; T88-S90 VanDerWaalsContact O-N 3.17Å; T88-S90 PolarHBondContact OG1-OG 2.8Å; T88-S90 VanDerWaalsContact OG1-OG 3.08Å
89	G	90.1	Very high	94.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.			trans	70.4	1.2	-177.8	0	0	0	0	0	116.2	L32 R86 N116	L32-G89 PolarHBondContact N-O 3.03Å; L32-G89 CarbonylContact O-C 3.52Å; L32-G89 WeakPolarHBondContact O-CA 3.39Å; R86-G89 PolarHBondContact O-N 2.8Å; G89-N116 PolarHBondContact O-ND2 2.96Å
90	S	91.8	Very high	94.3	Very high	41 Å²	41	35.2 Å²	35.2	29%	0.287	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-76.6	155.6	-176.9	57.6	0	0	0	0	112.9	R86 T88	R86-S90 PolarHBondContact NE-O 2.99Å; R86-S90 VanDerWaalsContact NE-O 3.13Å; R86-S90 PolarHBondContact NH2-O 2.72Å; T88-S90 PolarHBondContact O-N 2.69Å; T88-S90 VanDerWaalsContact O-N 3.17Å; T88-S90 PolarHBondContact OG1-OG 2.8Å; T88-S90 VanDerWaalsContact OG1-OG 3.08Å
91	P	92.8	Very high	94.2	Very high	43 Å²	43	38.3 Å²	38.3	28%	0.279	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-66.5	151.7	174.4	-23.2	32.7	0	0	0	114.3	F29 D31 R86 L93	F29-P91 HydrophobicContact CB-CB 4.42Å; F29-P91 HydrophobicContact CD1-CB 3.64Å; F29-P91 HydrophobicContact CD1-CG 3.9Å; F29-P91 HydrophobicContact CE1-CB 4.28Å; F29-P91 HydrophobicContact CG-CB 4.25Å; D31-P91 HydrophobicContact CB-CG 3.91Å; D31-P91 VanDerWaalsContact CG-CD 3.5Å; D31-P91 VanDerWaalsContact OD1-CD 3.28Å; D31-P91 WeakPolarHBondContact OD1-CD 3.04Å; R86-P91 PolarHBondContact NH2-O 3.23Å; P91-L93 PolarHBondContact O-N 3.27Å
92	P	92.8	Very high	94.1	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.058	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.4	125.8	178.9	-8.3	20.6	0	0	0	111.5	F29 W94 L95	F29-P92 HydrophobicContact CZ-CG 4.34Å; P92-W94 HydrophobicContact CB-CD2 3.81Å; P92-W94 VanDerWaalsContact CB-CE2 3.46Å; P92-W94 HydrophobicContact CB-CE3 4.26Å; P92-W94 HydrophobicContact CB-CG 4.4Å; P92-W94 HydrophobicContact CB-CH2 4.06Å; P92-W94 HydrophobicContact CB-CZ2 3.61Å; P92-W94 HydrophobicContact CB-CZ3 4.36Å; P92-W94 HydrophobicContact CG-CH2 4.27Å; P92-W94 HydrophobicContact CG-CZ2 4.13Å; P92-W94 PolarHBondContact O-N 3.41Å; P92-L95 HydrophobicContact CB-CB 4.13Å; P92-L95 HydrophobicContact CG-CB 4.32Å; P92-L95 HydrophobicContact CG-CD2 4.45Å; P92-L95 VanDerWaalsContact O-CB 3.28Å; P92-L95 WeakPolarHBondContact O-CB 2.89Å; P92-L95 PolarHBondContact O-N 2.99Å; P92-L95 VanDerWaalsContact O-N 3.13Å
93	L	91.4	Very high	94	Very high	169 Å²	169	38.3 Å²	38.3	89%	0.885	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.4	-177.9	-62.8	177.2	0	0	0	113	P91	P91-L93 PolarHBondContact O-N 3.27Å
94	W	92.9	Very high	93.8	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.019	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.7	180	46.2	-107.4	0	0	0	113.7	I81 P92 S96 N97 F98 V160 V259 F260 M263	I81-W94 HydrophobicContact CG2-CH2 4.14Å; I81-W94 HydrophobicContact CG2-CZ3 3.86Å; P92-W94 HydrophobicContact CB-CD2 3.81Å; P92-W94 VanDerWaalsContact CB-CE2 3.46Å; P92-W94 HydrophobicContact CB-CE3 4.26Å; P92-W94 HydrophobicContact CB-CG 4.4Å; P92-W94 HydrophobicContact CB-CH2 4.06Å; P92-W94 HydrophobicContact CB-CZ2 3.61Å; P92-W94 HydrophobicContact CB-CZ3 4.36Å; P92-W94 HydrophobicContact CG-CH2 4.27Å; P92-W94 HydrophobicContact CG-CZ2 4.13Å; P92-W94 PolarHBondContact O-N 3.41Å; W94-S96 PolarHBondContact O-N 2.76Å; W94-N97 PolarHBondContact O-N 3.33Å; W94-F98 HydrophobicContact CE3-CB 4.15Å; W94-F98 AromaticContact CE3-CD1 3.67Å; W94-F98 HydrophobicContact CE3-CD1 3.67Å; W94-F98 HydrophobicContact CE3-CG 4.43Å; W94-F98 AromaticContact CZ3-CD1 3.69Å; W94-F98 HydrophobicContact CZ3-CD1 3.69Å; W94-F98 HydrophobicContact CZ3-CE1 4.4Å; W94-F98 WeakPolarHBondContact O-CB 2.99Å; W94-F98 PolarHBondContact O-N 3.47Å; W94-V160 HydrophobicContact CH2-CG2 4.05Å; W94-V160 HydrophobicContact CZ2-CG2 4.16Å; W94-V259 HydrophobicContact CB-CG1 4.1Å; W94-V259 HydrophobicContact CD2-CB 4.5Å; W94-V259 HydrophobicContact CD2-CG1 3.56Å; W94-V259 HydrophobicContact CE3-CG1 3.87Å; W94-V259 HydrophobicContact CG-CB 4.44Å; W94-V259 HydrophobicContact CG-CG1 3.65Å; W94-V259 HydrophobicContact CZ2-CG1 4.5Å; W94-V259 HydrophobicContact CZ2-CG2 4.26Å; W94-V259 HydrophobicContact CZ3-CG1 4.48Å; W94-F260 HydrophobicContact CB-CE1 4.15Å; W94-F260 HydrophobicContact CB-CZ 4.44Å; W94-M263 HydrophobicContact CB-SD 3.82Å
95	L	94.7	Very high	93.5	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-49.1	-165.3	-176	63.3	0	0	0	113.1	F29 I81 P92 N97 F98 T99 V112	F29-L95 HydrophobicContact CB-CD2 4.45Å; F29-L95 HydrophobicContact CD2-CD2 3.57Å; F29-L95 HydrophobicContact CE2-CD2 4.11Å; F29-L95 HydrophobicContact CG-CD2 4.17Å; I81-L95 HydrophobicContact CG2-CD1 4.2Å; P92-L95 HydrophobicContact CB-CB 4.13Å; P92-L95 HydrophobicContact CG-CB 4.32Å; P92-L95 HydrophobicContact CG-CD2 4.45Å; P92-L95 VanDerWaalsContact O-CB 3.28Å; P92-L95 WeakPolarHBondContact O-CB 2.89Å; P92-L95 PolarHBondContact O-N 2.99Å; P92-L95 VanDerWaalsContact O-N 3.13Å; L95-N97 PolarHBondContact O-N 2.81Å; L95-F98 PolarHBondContact O-N 2.78Å; L95-T99 HydrophobicContact CD1-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.25Å; L95-T99 PolarHBondContact O-N 2.88Å; L95-T99 PolarHBondContact O-OG1 3.3Å; L95-V112 HydrophobicContact CD1-CB 4.43Å; L95-V112 HydrophobicContact CD1-CG1 3.79Å; L95-V112 HydrophobicContact CD1-CG2 3.74Å; L95-V112 HydrophobicContact CD2-CG1 3.91Å; L95-V112 HydrophobicContact CG-CG1 4.4Å; L95-V112 HydrophobicContact CG-CG2 4.4Å
96	S	93.8	Very high	93.3	Very high	74 Å²	74	47 Å²	47	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-42.3	-178.3	174.8	0	0	0	0	112.6	W94 T99 K100	W94-S96 PolarHBondContact O-N 2.76Å; S96-T99 PolarHBondContact O-OG1 3.02Å; S96-T99 VanDerWaalsContact O-OG1 3.04Å; S96-K100 WeakPolarHBondContact O-CB 3.3Å; S96-K100 PolarHBondContact O-N 3.12Å
97	N	95.3	Very high	93.5	Very high	83 Å²	83	49.4 Å²	49.4	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-69.8	-36.1	175.4	-75.2	-18	0	0	0	111.5	W94 L95 K100 W101 M263	W94-N97 PolarHBondContact O-N 3.33Å; L95-N97 PolarHBondContact O-N 2.81Å; N97-K100 PolarHBondContact O-N 3.4Å; N97-W101 WeakPolarHBondContact O-CB 3.42Å; N97-W101 PolarHBondContact O-N 3.15Å; N97-M263 HydrophobicContact CB-CE 3.63Å
98	F	96.7	Very high	93.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-48.4	-179.3	-161.4	174.3	0	0	0	111.3	I81 W94 L95 K100 W101 L102 I158 L184 V259 F262 M263 I266	I81-F98 HydrophobicContact CD1-CB 4.47Å; I81-F98 HydrophobicContact CD1-CD1 4.2Å; I81-F98 HydrophobicContact CD1-CD2 4.45Å; I81-F98 HydrophobicContact CD1-CG 4.12Å; I81-F98 HydrophobicContact CG2-CD1 4.47Å; W94-F98 HydrophobicContact CE3-CB 4.15Å; W94-F98 AromaticContact CE3-CD1 3.67Å; W94-F98 HydrophobicContact CE3-CD1 3.67Å; W94-F98 HydrophobicContact CE3-CG 4.43Å; W94-F98 AromaticContact CZ3-CD1 3.69Å; W94-F98 HydrophobicContact CZ3-CD1 3.69Å; W94-F98 HydrophobicContact CZ3-CE1 4.4Å; W94-F98 WeakPolarHBondContact O-CB 2.99Å; W94-F98 PolarHBondContact O-N 3.47Å; L95-F98 PolarHBondContact O-N 2.78Å; F98-K100 VanDerWaalsContact C-N 3.32Å; F98-K100 PolarHBondContact O-N 3.04Å; F98-W101 PolarHBondContact O-N 2.92Å; F98-L102 HydrophobicContact CD2-CD1 3.93Å; F98-L102 HydrophobicContact CD2-CG 3.96Å; F98-L102 HydrophobicContact CE2-CD1 3.85Å; F98-L102 HydrophobicContact CE2-CD2 4.18Å; F98-L102 HydrophobicContact CE2-CG 3.94Å; F98-L102 WeakPolarHBondContact O-CG 3.37Å; F98-L102 PolarHBondContact O-N 3.21Å; F98-L102 VanDerWaalsContact O-N 3.08Å; F98-I158 HydrophobicContact CE1-CG2 4.2Å; F98-I158 HydrophobicContact CE2-CD1 4.23Å; F98-I158 HydrophobicContact CZ-CD1 3.92Å; F98-I158 HydrophobicContact CZ-CG2 3.94Å; F98-L184 HydrophobicContact CE1-CD1 4.28Å; F98-L184 HydrophobicContact CZ-CD1 4.4Å; F98-V259 HydrophobicContact CD1-CG1 4.03Å; F98-V259 HydrophobicContact CE1-CG1 4.11Å; F98-F262 AromaticContact CE2-CD1 3.79Å; F98-F262 HydrophobicContact CE2-CD1 3.79Å; F98-F262 AromaticContact CE2-CE1 3.84Å; F98-F262 HydrophobicContact CE2-CE1 3.84Å; F98-F262 AromaticContact CZ-CD1 3.52Å; F98-F262 HydrophobicContact CZ-CD1 3.52Å; F98-F262 AromaticContact CZ-CE1 3.78Å; F98-F262 HydrophobicContact CZ-CE1 3.78Å; F98-M263 HydrophobicContact CB-CE 3.98Å; F98-M263 HydrophobicContact CB-CG 4.14Å; F98-M263 HydrophobicContact CB-SD 3.78Å; F98-M263 HydrophobicContact CD1-CG 4.06Å; F98-M263 HydrophobicContact CD1-SD 4.19Å; F98-M263 HydrophobicContact CD2-CG 3.73Å; F98-M263 HydrophobicContact CE1-CG 4.4Å; F98-M263 HydrophobicContact CE2-CG 4.11Å; F98-M263 HydrophobicContact CG-CG 3.72Å; F98-M263 HydrophobicContact CG-SD 3.93Å; F98-M263 HydrophobicContact CZ-CG 4.41Å; F98-I266 HydrophobicContact CD2-CD1 3.73Å; F98-I266 HydrophobicContact CE2-CD1 3.62Å
99	T	96.8	Very high	94.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-46	176.4	56	0	0	0	0	111	Y50 I81 L95 S96 W101 L102 L103 V110 V112	Y50-T99 HydrophobicContact CD2-CG2 3.99Å; Y50-T99 HydrophobicContact CE2-CG2 4.22Å; Y50-T99 HydrophobicContact CG-CG2 4.33Å; I81-T99 HydrophobicContact CD1-CG2 3.91Å; L95-T99 HydrophobicContact CD1-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.25Å; L95-T99 PolarHBondContact O-N 2.88Å; L95-T99 PolarHBondContact O-OG1 3.3Å; S96-T99 PolarHBondContact O-OG1 3.02Å; S96-T99 VanDerWaalsContact O-OG1 3.04Å; T99-W101 PolarHBondContact O-N 2.82Å; T99-L102 PolarHBondContact O-N 2.83Å; T99-L103 WeakPolarHBondContact O-CG 3.04Å; T99-L103 PolarHBondContact O-N 2.85Å; T99-V110 HydrophobicContact CG2-CG1 3.91Å; T99-V112 HydrophobicContact CG2-CG2 3.54Å
100	K	96.3	Very high	94.9	Very high	89 Å²	89	43.7 Å²	43.7	39%	0.387	23%	0.227	S	C	.	.	H	α-helix	trans	-57.8	-50.4	177.4	-178.6	178.8	176.1	178.7	0	112.2	S96 N97 F98 L102 L103 D104	S96-K100 WeakPolarHBondContact O-CB 3.3Å; S96-K100 PolarHBondContact O-N 3.12Å; N97-K100 PolarHBondContact O-N 3.4Å; F98-K100 VanDerWaalsContact C-N 3.32Å; F98-K100 PolarHBondContact O-N 3.04Å; K100-L102 VanDerWaalsContact C-N 3.33Å; K100-L102 PolarHBondContact O-N 2.71Å; K100-L103 CarbonylContact O-C 3.53Å; K100-L103 PolarHBondContact O-N 2.76Å; K100-L103 VanDerWaalsContact O-N 3.16Å; K100-D104 VanDerWaalsContact O-CG 3.29Å; K100-D104 PolarHBondContact O-N 3.05Å
101	W	95.8	Very high	95.2	Very high	65 Å²	65	41.8 Å²	41.8	25%	0.246	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-35.8	-176.7	-66.2	-3.6	0	0	0	112.3	N97 F98 T99 D104 R105 M263 I266	N97-W101 WeakPolarHBondContact O-CB 3.42Å; N97-W101 PolarHBondContact O-N 3.15Å; F98-W101 PolarHBondContact O-N 2.92Å; T99-W101 PolarHBondContact O-N 2.82Å; W101-D104 PolarHBondContact O-N 3.06Å; W101-R105 PolarHBondContact O-N 2.88Å; W101-M263 HydrophobicContact CD2-CE 4.22Å; W101-M263 HydrophobicContact CE3-CB 3.71Å; W101-M263 HydrophobicContact CE3-CE 3.77Å; W101-M263 HydrophobicContact CE3-CG 4.42Å; W101-M263 VanDerWaalsContact CE3-O 3.22Å; W101-M263 HydrophobicContact CH2-CE 4.25Å; W101-M263 HydrophobicContact CZ3-CB 3.59Å; W101-M263 HydrophobicContact CZ3-CE 3.81Å; W101-M263 WeakPolarHBondContact CZ3-O 3.34Å; W101-I266 HydrophobicContact CB-CB 4.37Å; W101-I266 HydrophobicContact CB-CD1 4Å; W101-I266 HydrophobicContact CB-CG2 3.96Å; W101-I266 VanDerWaalsContact O-CG2 3.24Å; W101-I266 WeakPolarHBondContact O-CG2 3.1Å
102	L	96.9	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-45.7	172.3	-72.2	173	0	0	0	111.4	T79 I81 F98 T99 K100 D104 R105 M108 V110 I158 I266 Y304	T79-L102 HydrophobicContact CG2-CD1 3.97Å; I81-L102 HydrophobicContact CD1-CD1 3.83Å; I81-L102 HydrophobicContact CG1-CD1 4.19Å; F98-L102 HydrophobicContact CD2-CD1 3.93Å; F98-L102 HydrophobicContact CD2-CG 3.96Å; F98-L102 HydrophobicContact CE2-CD1 3.85Å; F98-L102 HydrophobicContact CE2-CD2 4.18Å; F98-L102 HydrophobicContact CE2-CG 3.94Å; F98-L102 WeakPolarHBondContact O-CG 3.37Å; F98-L102 PolarHBondContact O-N 3.21Å; F98-L102 VanDerWaalsContact O-N 3.08Å; T99-L102 PolarHBondContact O-N 2.83Å; K100-L102 VanDerWaalsContact C-N 3.33Å; K100-L102 PolarHBondContact O-N 2.71Å; L102-D104 VanDerWaalsContact C-N 3.29Å; L102-D104 PolarHBondContact O-N 3.22Å; L102-R105 WeakPolarHBondContact O-CB 2.99Å; L102-R105 PolarHBondContact O-N 2.94Å; L102-R105 VanDerWaalsContact O-N 3.09Å; L102-M108 HydrophobicContact CB-CE 4.45Å; L102-M108 HydrophobicContact CB-SD 4.03Å; L102-M108 WeakPolarHBondContact O-CE 3.43Å; L102-V110 HydrophobicContact CB-CG2 3.95Å; L102-V110 HydrophobicContact CD1-CG1 4.27Å; L102-V110 HydrophobicContact CD1-CG2 4.35Å; L102-I158 HydrophobicContact CD1-CD1 4.27Å; L102-I158 HydrophobicContact CD2-CD1 4.41Å; L102-I266 HydrophobicContact CD2-CD1 4Å; L102-I266 HydrophobicContact CG-CD1 4.19Å; L102-Y304 HydrophobicContact CD2-CD2 3.99Å; L102-Y304 HydrophobicContact CD2-CE2 3.57Å
103	L	96.6	Very high	95.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-31.5	177.4	-68.3	168.2	0	0	0	112.1	R52 V55 T99 K100 R105 M108 V110	R52-L103 HydrophobicContact CG-CB 4.29Å; R52-L103 HydrophobicContact CG-CD2 4.32Å; R52-L103 PolarHBondContact NE-O 2.91Å; R52-L103 PolarHBondContact NH2-O 2.91Å; V55-L103 HydrophobicContact CB-CD1 4.32Å; V55-L103 HydrophobicContact CG1-CB 4.38Å; V55-L103 HydrophobicContact CG1-CD1 4.01Å; T99-L103 WeakPolarHBondContact O-CG 3.04Å; T99-L103 PolarHBondContact O-N 2.85Å; K100-L103 CarbonylContact O-C 3.53Å; K100-L103 PolarHBondContact O-N 2.76Å; K100-L103 VanDerWaalsContact O-N 3.16Å; L103-R105 PolarHBondContact O-N 2.97Å; L103-M108 HydrophobicContact CD2-CG 4.02Å; L103-M108 WeakPolarHBondContact CD2-O 3.43Å; L103-V110 HydrophobicContact CD2-CB 4.47Å; L103-V110 HydrophobicContact CD2-CG2 3.76Å; L103-V110 HydrophobicContact CG-CG2 3.83Å
104	D	94.4	Very high	96.1	Very high	87 Å²	87	31.3 Å²	31.3	47%	0.465	16%	0.155	S	C	.	.	H	α-helix	trans	-64.2	-24.1	174.5	-70.9	-23.9	0	0	0	111.9	R52 K100 W101 L102	R52-D104 PolarHBondContact NH2-O 2.79Å; K100-D104 VanDerWaalsContact O-CG 3.29Å; K100-D104 PolarHBondContact O-N 3.05Å; W101-D104 PolarHBondContact O-N 3.06Å; L102-D104 VanDerWaalsContact C-N 3.29Å; L102-D104 PolarHBondContact O-N 3.22Å
105	R	91.8	Very high	96.4	Very high	80 Å²	80	31 Å²	31	30%	0.302	15%	0.154	S	C	.	.	H	α-helix	trans	-77.5	-50.9	-176.6	-75.6	-68.4	-79.6	-167.5	-1.4	115.9	W101 L102 L103 I266 D305	W101-R105 PolarHBondContact O-N 2.88Å; L102-R105 WeakPolarHBondContact O-CB 2.99Å; L102-R105 PolarHBondContact O-N 2.94Å; L102-R105 VanDerWaalsContact O-N 3.09Å; L103-R105 PolarHBondContact O-N 2.97Å; R105-I266 WeakPolarHBondContact CD-O 3.49Å; R105-I266 HydrophobicContact CG-CG2 3.31Å; R105-I266 PolarHBondContact NE-O 2.86Å; R105-I266 PolarHBondContact NH1-O 3.06Å; R105-I266 VanDerWaalsContact NH1-O 3.16Å; R105-D305 IonicContact CZ-OD2 2.81Å; R105-D305 IonicContact NH2-OD1 2.83Å; R105-D305 PolarHBondContact NH2-OD1 2.92Å; R105-D305 IonicContact NH2-OD2 3.4Å; R105-D305 PolarHBondContact NH2-OD2 2.87Å
106	Q	91.9	Very high	96.5	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.383	15%	0.151	S	C	.	.	S	Bend	trans	-152.5	162.9	177.9	61.8	178.8	12.4	0	0	109.5	R52 M108	R52-Q106 PolarHBondContact NE-O 3.49Å; R52-Q106 PolarHBondContact NH2-O 2.89Å; Q106-M108 HydrophobicContact CB-CE 4.5Å; Q106-M108 HydrophobicContact CG-CB 4.45Å; Q106-M108 HydrophobicContact CG-CE 3.24Å; Q106-M108 PolarHBondContact O-N 2.79Å
107	D	95.2	Very high	96.7	Very high	76 Å²	76	28.5 Å²	28.5	41%	0.406	13%	0.134	S	C	.	.	S	Bend	trans	-70.1	120	172.6	-170.6	34.6	0	0	0	108.9	N76	N76-D107 PolarHBondContact ND2-OD2 3.3Å
108	M	97.4	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.			trans	-156.6	164	-172.9	71.2	173.6	75.7	0	0	110.5	P77 L102 L103 Q106 V110 Y304	P77-M108 HydrophobicContact CB-CB 4.47Å; P77-M108 WeakPolarHBondContact O-CA 3.33Å; P77-M108 WeakPolarHBondContact O-CB 3.47Å; L102-M108 HydrophobicContact CB-CE 4.45Å; L102-M108 HydrophobicContact CB-SD 4.03Å; L102-M108 WeakPolarHBondContact O-CE 3.43Å; L103-M108 HydrophobicContact CD2-CG 4.02Å; L103-M108 WeakPolarHBondContact CD2-O 3.43Å; Q106-M108 HydrophobicContact CB-CE 4.5Å; Q106-M108 HydrophobicContact CG-CB 4.45Å; Q106-M108 HydrophobicContact CG-CE 3.24Å; Q106-M108 PolarHBondContact O-N 2.79Å; M108-V110 HydrophobicContact CG-CG2 3.84Å; M108-V110 HydrophobicContact SD-CG2 3.65Å; M108-Y304 WeakPolarHBondContact CE-OH 3.06Å
109	N	98.4	Very high	96.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.9	163.6	-52.4	-53.4	0	0	0	108.7	L49 F72 N73 P77 T78 T79	L49-N109 HydrophobicContact CD1-CB 3.8Å; F72-N109 HydrophobicContact CD2-CB 3.97Å; F72-N109 VanDerWaalsContact CD2-CG 3.5Å; F72-N109 HydrophobicContact CE2-CB 3.72Å; N73-N109 PolarHBondContact N-OD1 3.06Å; N73-N109 PolarHBondContact O-ND2 3.28Å; P77-N109 PolarHBondContact O-N 2.98Å; T78-N109 CarbonylContact C-O 3.56Å; T78-N109 WeakPolarHBondContact CA-O 3.46Å; T78-N109 HydrophobicContact CG2-CB 3.93Å; T78-N109 PolarHBondContact OG1-ND2 3.33Å; T79-N109 PolarHBondContact N-O 3.22Å
110	V	98.6	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.5	169.1	179.7	0	0	0	0	109	L49 Y50 T79 I81 T99 L102 L103 M108	L49-V110 WeakPolarHBondContact CA-O 3.32Å; Y50-V110 PolarHBondContact N-O 3.16Å; Y50-V110 PolarHBondContact O-N 3.27Å; T79-V110 CarbonylContact O-C 3.56Å; T79-V110 WeakPolarHBondContact O-CA 3.4Å; I81-V110 HydrophobicContact CD1-CG1 3.89Å; I81-V110 HydrophobicContact CG1-CG1 4.28Å; T99-V110 HydrophobicContact CG2-CG1 3.91Å; L102-V110 HydrophobicContact CB-CG2 3.95Å; L102-V110 HydrophobicContact CD1-CG1 4.27Å; L102-V110 HydrophobicContact CD1-CG2 4.35Å; L103-V110 HydrophobicContact CD2-CB 4.47Å; L103-V110 HydrophobicContact CD2-CG2 3.76Å; L103-V110 HydrophobicContact CG-CG2 3.83Å; M108-V110 HydrophobicContact CG-CG2 3.84Å; M108-V110 HydrophobicContact SD-CG2 3.65Å
111	V	98.7	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109	-179.6	-177.5	0	0	0	0	109.6	L47 L48 L49 L61 F72 T78 T79 F80 I81	L47-V111 HydrophobicContact CB-CG1 3.97Å; L47-V111 HydrophobicContact CD2-CG1 4.17Å; L48-V111 WeakPolarHBondContact O-CA 3.37Å; L49-V111 HydrophobicContact CD1-CG2 4.07Å; L61-V111 HydrophobicContact CD1-CG2 4.41Å; F72-V111 HydrophobicContact CE2-CG2 4.43Å; F72-V111 HydrophobicContact CZ-CG2 4.38Å; T78-V111 HydrophobicContact CG2-CG2 3.96Å; T79-V111 PolarHBondContact O-N 3.49Å; F80-V111 CarbonylContact C-O 3.5Å; F80-V111 VanDerWaalsContact CA-O 3.24Å; F80-V111 WeakPolarHBondContact CA-O 3.2Å; F80-V111 HydrophobicContact CD1-CB 3.72Å; F80-V111 HydrophobicContact CD1-CG1 3.75Å; F80-V111 HydrophobicContact CE1-CB 3.82Å; F80-V111 HydrophobicContact CE1-CG1 3.67Å; F80-V111 HydrophobicContact CE1-CG2 4.27Å; F80-V111 HydrophobicContact CG-CB 4.26Å; F80-V111 HydrophobicContact CZ-CB 4.43Å; F80-V111 HydrophobicContact CZ-CG2 4.47Å; I81-V111 PolarHBondContact N-O 2.86Å
112	V	98.8	Very high	96.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.9	171.5	177.2	0	0	0	0	109	F29 L48 Y50 I81 L95 T99 D114	F29-V112 HydrophobicContact CD2-CG1 4.19Å; F29-V112 HydrophobicContact CE2-CG1 4.22Å; L48-V112 HydrophobicContact CB-CB 4.23Å; L48-V112 PolarHBondContact N-O 2.86Å; L48-V112 PolarHBondContact O-N 3.02Å; Y50-V112 HydrophobicContact CD2-CG2 3.99Å; Y50-V112 HydrophobicContact CE2-CB 4.29Å; Y50-V112 HydrophobicContact CE2-CG2 3.72Å; I81-V112 HydrophobicContact CB-CG2 4.45Å; I81-V112 HydrophobicContact CD1-CG2 4.41Å; L95-V112 HydrophobicContact CD1-CB 4.43Å; L95-V112 HydrophobicContact CD1-CG1 3.79Å; L95-V112 HydrophobicContact CD1-CG2 3.74Å; L95-V112 HydrophobicContact CD2-CG1 3.91Å; L95-V112 HydrophobicContact CG-CG1 4.4Å; L95-V112 HydrophobicContact CG-CG2 4.4Å; T99-V112 HydrophobicContact CG2-CG2 3.54Å; V112-D114 PolarHBondContact O-N 2.92Å
113	V	98.8	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	97.8	175.3	-175.5	0	0	0	0	109	I45 L47 F80 I81 I82 H83 W115 V134 L138	I45-V113 HydrophobicContact CG2-CG1 4.03Å; L47-V113 HydrophobicContact CD2-CB 4.36Å; L47-V113 HydrophobicContact CD2-CG1 4.2Å; L47-V113 HydrophobicContact CD2-CG2 3.89Å; F80-V113 HydrophobicContact CD1-CG2 3.9Å; I81-V113 PolarHBondContact O-N 2.99Å; I82-V113 HydrophobicContact CG1-CB 4.05Å; I82-V113 HydrophobicContact CG1-CG2 3.75Å; H83-V113 PolarHBondContact CD2-O 3.32Å; H83-V113 PolarHBondContact NE2-O 3.44Å; V113-W115 PolarHBondContact O-N 2.84Å; V113-V134 HydrophobicContact CG1-CG1 4.38Å; V113-L138 HydrophobicContact CB-CD2 4.48Å; V113-L138 HydrophobicContact CG1-CD1 4.16Å; V113-L138 HydrophobicContact CG1-CD2 3.88Å; V113-L138 HydrophobicContact CG1-CG 4.41Å; V113-L138 HydrophobicContact CG2-CD1 4.16Å; V113-L138 HydrophobicContact CG2-CD2 3.72Å
114	D	98.6	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	97.5	172.3	171.9	13.6	0	0	0	109.3	F29 T30 I45 K46 V112 N116	F29-D114 HydrophobicContact CD2-CB 3.76Å; F29-D114 HydrophobicContact CE2-CB 3.6Å; F29-D114 HydrophobicContact CZ-CB 4.23Å; T30-D114 WeakPolarHBondContact CB-OD2 3.25Å; T30-D114 PolarHBondContact N-OD2 3.33Å; T30-D114 PolarHBondContact OG1-OD2 3.38Å; I45-D114 CarbonylContact C-O 3.53Å; I45-D114 WeakPolarHBondContact CA-O 3.24Å; K46-D114 HydrophobicContact CB-CB 4.15Å; K46-D114 PolarHBondContact N-O 3.18Å; K46-D114 PolarHBondContact O-N 2.84Å; V112-D114 PolarHBondContact O-N 2.92Å; D114-N116 WeakPolarHBondContact OD1-CB 3.47Å; D114-N116 PolarHBondContact OD1-N 2.89Å
115	W	98.5	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.			trans	-109.5	28.6	172.1	68.7	-74.8	0	0	0	110.6	I45 H83 V113 H117 G118 A119 V127 K130 T131 V134 L162 I166	I45-W115 HydrophobicContact CG1-CB 4.16Å; H83-W115 AromaticContact CD2-CD1 3.8Å; H83-W115 AromaticContact CD2-NE1 3.95Å; H83-W115 AromaticContact CE1-CD1 3.4Å; H83-W115 AromaticContact CE1-CE2 3.81Å; H83-W115 AromaticContact CE1-CG 3.91Å; H83-W115 AromaticContact CE1-NE1 3.32Å; H83-W115 PolarHBondContact CE1-NE1 3.21Å; H83-W115 VanDerWaalsContact CE1-NE1 3.32Å; H83-W115 AromaticContact CG-NE1 3.84Å; H83-W115 AromaticContact ND1-CD1 3.94Å; H83-W115 AromaticContact ND1-NE1 3.44Å; H83-W115 PolarHBondContact ND1-NE1 2.86Å; H83-W115 AromaticContact NE2-CD1 3.3Å; H83-W115 VanDerWaalsContact NE2-CD1 3.3Å; H83-W115 AromaticContact NE2-CG 3.95Å; H83-W115 PolarHBondContact NE2-N 2.99Å; H83-W115 AromaticContact NE2-NE1 3.65Å; H83-W115 PolarHBondContact O-NE1 2.8Å; V113-W115 PolarHBondContact O-N 2.84Å; W115-H117 PolarHBondContact O-N 2.84Å; W115-H117 VanDerWaalsContact O-N 3.09Å; W115-G118 WeakPolarHBondContact O-CA 3.47Å; W115-G118 PolarHBondContact O-N 3.35Å; W115-A119 HydrophobicContact CD2-CB 3.84Å; W115-A119 HydrophobicContact CE3-CB 3.76Å; W115-A119 HydrophobicContact CH2-CB 3.69Å; W115-A119 HydrophobicContact CZ2-CB 3.74Å; W115-A119 HydrophobicContact CZ3-CB 3.7Å; W115-A119 PolarHBondContact O-N 3.37Å; W115-V127 HydrophobicContact CH2-CG1 3.5Å; W115-V127 VanDerWaalsContact CH2-CG1 3.5Å; W115-V127 HydrophobicContact CZ3-CG1 3.64Å; W115-K130 HydrophobicContact CZ3-CB 4.42Å; W115-T131 HydrophobicContact CH2-CG2 4.29Å; W115-V134 HydrophobicContact CB-CG1 4.27Å; W115-V134 HydrophobicContact CB-CG2 3.84Å; W115-V134 HydrophobicContact CD2-CG2 4Å; W115-V134 HydrophobicContact CE3-CG2 3.8Å; W115-V134 HydrophobicContact CG-CG1 4.3Å; W115-V134 HydrophobicContact CG-CG2 4.04Å; W115-L162 HydrophobicContact CH2-CB 4.38Å; W115-L162 HydrophobicContact CH2-CD1 4.1Å; W115-L162 HydrophobicContact CZ2-CB 4.27Å; W115-I166 HydrophobicContact CD2-CD1 4.26Å; W115-I166 HydrophobicContact CH2-CD1 4.23Å; W115-I166 HydrophobicContact CZ2-CD1 3.72Å
116	N	97.3	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-26.4	-170.2	-160.8	25.4	0	0	0	113.1	F29 T30 R86 G89 D114 G118 A119 A120	F29-N116 HydrophobicContact CE1-CB 3.96Å; F29-N116 HydrophobicContact CZ-CB 4.16Å; T30-N116 PolarHBondContact O-ND2 3.29Å; R86-N116 WeakPolarHBondContact CB-OD1 3.25Å; R86-N116 VanDerWaalsContact CG-OD1 3.27Å; R86-N116 WeakPolarHBondContact CG-OD1 3.31Å; G89-N116 PolarHBondContact O-ND2 2.96Å; D114-N116 WeakPolarHBondContact OD1-CB 3.47Å; D114-N116 PolarHBondContact OD1-N 2.89Å; N116-G118 VanDerWaalsContact C-N 3.26Å; N116-G118 PolarHBondContact O-N 2.84Å; N116-A119 PolarHBondContact O-N 3.26Å; N116-A120 WeakPolarHBondContact O-CB 3.46Å; N116-A120 PolarHBondContact O-N 3.21Å
117	H	97.3	Very high	96.5	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.148	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-26	170.1	-84.2	-67.8	0	0	0	114.4	T41 S42 K44 W115	T41-H117 VanDerWaalsContact OG1-C 3.3Å; T41-H117 VanDerWaalsContact OG1-CA 3.22Å; T41-H117 WeakPolarHBondContact OG1-CA 3.23Å; T41-H117 WeakPolarHBondContact OG1-CB 3.35Å; T41-H117 PolarHBondContact OG1-ND1 2.89Å; T41-H117 PolarHBondContact OG1-O 2.8Å; S42-H117 WeakPolarHBondContact O-CB 3.38Å; K44-H117 HydrophobicContact CB-CB 3.98Å; W115-H117 PolarHBondContact O-N 2.84Å; W115-H117 VanDerWaalsContact O-N 3.09Å
118	G	96.7	Very high	96.6	Very high	7 Å²	7	25.8 Å²	25.8	7%	0.072	12%	0.123	C	C	.	.	H	α-helix	trans	-91	-32.4	168.4	0	0	0	0	0	113.2	W115 N116	W115-G118 WeakPolarHBondContact O-CA 3.47Å; W115-G118 PolarHBondContact O-N 3.35Å; N116-G118 VanDerWaalsContact C-N 3.26Å; N116-G118 PolarHBondContact O-N 2.84Å
119	A	96.9	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-80.5	-23.2	-174.4	0	0	0	0	0	114.6	G84 F85 R86 W115 N116 N121	G84-A119 WeakPolarHBondContact O-CB 3.41Å; F85-A119 WeakPolarHBondContact CD2-O 3.36Å; R86-A119 HydrophobicContact CB-CB 4.18Å; R86-A119 HydrophobicContact CG-CB 3.85Å; R86-A119 PolarHBondContact N-O 2.03Å; W115-A119 HydrophobicContact CD2-CB 3.84Å; W115-A119 HydrophobicContact CE3-CB 3.76Å; W115-A119 HydrophobicContact CH2-CB 3.69Å; W115-A119 HydrophobicContact CZ2-CB 3.74Å; W115-A119 HydrophobicContact CZ3-CB 3.7Å; W115-A119 PolarHBondContact O-N 3.37Å; N116-A119 PolarHBondContact O-N 3.26Å; A119-N121 PolarHBondContact O-N 3.22Å
120	A	95.6	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.			trans	-89.6	89.7	-178.5	0	0	0	0	0	111.4	L32 R86 N116	L32-A120 HydrophobicContact CD1-CB 3.86Å; R86-A120 VanDerWaalsContact O-CA 3.24Å; R86-A120 WeakPolarHBondContact O-CA 3.5Å; N116-A120 WeakPolarHBondContact O-CB 3.46Å; N116-A120 PolarHBondContact O-N 3.21Å
121	N	93.9	Very high	96.5	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.107	16%	0.163	C	C	.	.			trans	-149.8	148.3	172.8	-153.6	-77.6	0	0	0	110.5	S37 G40 F85 A119 N123 V127	S37-N121 CarbonylContact O-C 3.51Å; S37-N121 VanDerWaalsContact O-CA 3.32Å; S37-N121 WeakPolarHBondContact O-CA 3.47Å; G40-N121 WeakPolarHBondContact CA-ND2 3.36Å; F85-N121 WeakPolarHBondContact CE2-O 3.39Å; F85-N121 WeakPolarHBondContact CZ-O 3.39Å; A119-N121 PolarHBondContact O-N 3.22Å; N121-N123 VanDerWaalsContact C-N 3.29Å; N121-N123 VanDerWaalsContact OD1-CB 3.31Å; N121-N123 WeakPolarHBondContact OD1-CB 3.23Å; N121-N123 PolarHBondContact OD1-N 3.18Å; N121-V127 HydrophobicContact CB-CG2 3.49Å; N121-V127 VanDerWaalsContact CB-CG2 3.49Å
122	I	92.3	Very high	96.5	Very high	103 Å²	103	38.4 Å²	38.4	53%	0.528	18%	0.178	S	C	.	.	S	Bend	trans	-74.4	-23.6	170.8	61.4	171.5	0	0	0	112.3	S37 I38 Y124	S37-I122 PolarHBondContact O-N 3.29Å; I38-I122 HydrophobicContact CG1-CD1 4.36Å; I38-I122 HydrophobicContact CG1-CG2 4.15Å; I122-Y124 PolarHBondContact O-N 3.46Å
123	N	93.3	Very high	96.5	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	20%	0.197	S	C	.	.			trans	-90.2	100.3	177.7	-174.6	-24.5	0	0	0	110.1	N121 F125 K126 V127	N121-N123 VanDerWaalsContact C-N 3.29Å; N121-N123 VanDerWaalsContact OD1-CB 3.31Å; N121-N123 WeakPolarHBondContact OD1-CB 3.23Å; N121-N123 PolarHBondContact OD1-N 3.18Å; N123-F125 VanDerWaalsContact C-N 3.31Å; N123-F125 PolarHBondContact O-N 3.35Å; N123-F125 PolarHBondContact OD1-N 3.45Å; N123-F125 VanDerWaalsContact OD1-N 3.12Å; N123-K126 HydrophobicContact CB-CB 4.41Å; N123-K126 HydrophobicContact CB-CD 4.22Å; N123-K126 HydrophobicContact CB-CG 4.24Å; N123-K126 PolarHBondContact O-N 3.5Å; N123-K126 PolarHBondContact OD1-N 3.22Å; N123-V127 PolarHBondContact O-N 2.85Å
124	Y	94.4	Very high	96.5	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-40.5	-179.6	-179.8	-102.3	0	0	0	113.5	F85 I122 K126 V127 V128 L162 P189 T190	F85-Y124 HydrophobicContact CD1-CD2 4.04Å; F85-Y124 HydrophobicContact CD2-CD2 4.26Å; F85-Y124 HydrophobicContact CE1-CD2 4.2Å; F85-Y124 HydrophobicContact CE2-CD2 4.38Å; F85-Y124 HydrophobicContact CG-CD2 4.09Å; F85-Y124 HydrophobicContact CG-CE2 4.43Å; F85-Y124 HydrophobicContact CZ-CD2 4.37Å; I122-Y124 PolarHBondContact O-N 3.46Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.75Å; Y124-V127 WeakPolarHBondContact O-CA 3.31Å; Y124-V127 WeakPolarHBondContact O-CB 3.47Å; Y124-V127 PolarHBondContact O-N 2.74Å; Y124-V128 HydrophobicContact CD1-CG2 3.86Å; Y124-V128 HydrophobicContact CE1-CG2 3.44Å; Y124-V128 VanDerWaalsContact CE1-CG2 3.44Å; Y124-V128 HydrophobicContact CE2-CG2 4.3Å; Y124-V128 HydrophobicContact CG-CG2 4.46Å; Y124-V128 WeakPolarHBondContact O-CG2 3.45Å; Y124-V128 PolarHBondContact O-N 2.78Å; Y124-L162 HydrophobicContact CE2-CD1 4.11Å; Y124-L162 HydrophobicContact CE2-CD2 4.23Å; Y124-L162 HydrophobicContact CE2-CG 4.34Å; Y124-L162 WeakPolarHBondContact OH-CD2 3.31Å; Y124-P189 HydrophobicContact CE1-CB 3.79Å; Y124-P189 WeakPolarHBondContact CE1-O 3.41Å; Y124-P189 PolarHBondContact OH-O 2.85Å; Y124-T190 HydrophobicContact CD1-CG2 4.19Å; Y124-T190 HydrophobicContact CE1-CG2 3.82Å
125	F	95.1	Very high	96.5	Very high	136 Å²	136	42.5 Å²	42.5	60%	0.596	20%	0.197	S	C	*	.	H	α-helix	trans	-62.4	-39.5	-178.5	-60.8	-79.6	0	0	0	112.5	N123 V127 V128 E129 T190	N123-F125 VanDerWaalsContact C-N 3.31Å; N123-F125 PolarHBondContact O-N 3.35Å; N123-F125 PolarHBondContact OD1-N 3.45Å; N123-F125 VanDerWaalsContact OD1-N 3.12Å; F125-V127 VanDerWaalsContact C-N 3.25Å; F125-V127 PolarHBondContact O-N 3.18Å; F125-V128 WeakPolarHBondContact O-CB 3.37Å; F125-V128 PolarHBondContact O-N 2.65Å; F125-E129 PolarHBondContact O-N 3.25Å; F125-E129 VanDerWaalsContact O-N 3.09Å; F125-T190 HydrophobicContact CD1-CG2 3.65Å; F125-T190 HydrophobicContact CE1-CG2 3.48Å; F125-T190 VanDerWaalsContact CE1-CG2 3.48Å
126	K	94.8	Very high	96.5	Very high	118 Å²	118	46.3 Å²	46.3	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-36.5	174	-72.1	-173.4	174.9	-176.2	0	111.8	N123 Y124 K130	N123-K126 HydrophobicContact CB-CB 4.41Å; N123-K126 HydrophobicContact CB-CD 4.22Å; N123-K126 HydrophobicContact CB-CG 4.24Å; N123-K126 PolarHBondContact O-N 3.5Å; N123-K126 PolarHBondContact OD1-N 3.22Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.75Å; K126-K130 WeakPolarHBondContact O-CG 3.26Å; K126-K130 PolarHBondContact O-N 3.07Å
127	V	96.9	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-40.3	177.7	-176	0	0	0	0	111.2	F85 W115 N121 N123 Y124 F125 E129 K130 T131 L162	F85-V127 HydrophobicContact CD2-CB 4.11Å; F85-V127 HydrophobicContact CD2-CG1 4.02Å; F85-V127 HydrophobicContact CD2-CG2 3.86Å; F85-V127 HydrophobicContact CE2-CB 4.34Å; F85-V127 HydrophobicContact CE2-CG2 3.7Å; W115-V127 HydrophobicContact CH2-CG1 3.5Å; W115-V127 VanDerWaalsContact CH2-CG1 3.5Å; W115-V127 HydrophobicContact CZ3-CG1 3.64Å; N121-V127 HydrophobicContact CB-CG2 3.49Å; N121-V127 VanDerWaalsContact CB-CG2 3.49Å; N123-V127 PolarHBondContact O-N 2.85Å; Y124-V127 WeakPolarHBondContact O-CA 3.31Å; Y124-V127 WeakPolarHBondContact O-CB 3.47Å; Y124-V127 PolarHBondContact O-N 2.74Å; F125-V127 VanDerWaalsContact C-N 3.25Å; F125-V127 PolarHBondContact O-N 3.18Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.16Å; V127-K130 PolarHBondContact O-N 3.15Å; V127-K130 VanDerWaalsContact O-N 3.11Å; V127-T131 PolarHBondContact O-N 3.37Å; V127-L162 HydrophobicContact CB-CD1 4.35Å; V127-L162 HydrophobicContact CG1-CD1 3.59Å
128	V	97.1	Very high	96.7	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-44.4	175.2	172.3	0	0	0	0	110.8	Y124 F125 K130 T131 L162 T190 F191	Y124-V128 HydrophobicContact CD1-CG2 3.86Å; Y124-V128 HydrophobicContact CE1-CG2 3.44Å; Y124-V128 VanDerWaalsContact CE1-CG2 3.44Å; Y124-V128 HydrophobicContact CE2-CG2 4.3Å; Y124-V128 HydrophobicContact CG-CG2 4.46Å; Y124-V128 WeakPolarHBondContact O-CG2 3.45Å; Y124-V128 PolarHBondContact O-N 2.78Å; F125-V128 WeakPolarHBondContact O-CB 3.37Å; F125-V128 PolarHBondContact O-N 2.65Å; V128-K130 VanDerWaalsContact C-N 3.26Å; V128-K130 PolarHBondContact O-N 2.8Å; V128-T131 WeakPolarHBondContact O-CB 3.47Å; V128-T131 WeakPolarHBondContact O-CG2 3.41Å; V128-T131 PolarHBondContact O-N 1.98Å; V128-T131 VanDerWaalsContact O-N 3.09Å; V128-T131 PolarHBondContact O-OG1 3.43Å; V128-L162 HydrophobicContact CG2-CD2 4.07Å; V128-T190 HydrophobicContact CG2-CG2 4.47Å; V128-T190 WeakPolarHBondContact CG2-OG1 3.46Å; V128-F191 HydrophobicContact CG1-CE2 4.15Å; V128-F191 HydrophobicContact CG1-CZ 3.89Å; V128-F191 HydrophobicContact CG2-CE2 4.25Å
129	E	96.1	Very high	96.8	Very high	123 Å²	123	47.7 Å²	47.7	58%	0.575	23%	0.225	S	C	*	.	H	α-helix	trans	-58.3	-37.7	176.3	-70	171.7	179.9	0	0	112.5	F125 V127 T131 Y132	F125-E129 PolarHBondContact O-N 3.25Å; F125-E129 VanDerWaalsContact O-N 3.09Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.16Å; E129-T131 PolarHBondContact O-N 3.05Å; E129-Y132 PolarHBondContact O-N 3.26Å
130	K	97.9	Very high	96.9	Very high	60 Å²	60	50.1 Å²	50.1	26%	0.261	25%	0.245	S	C	.	.	H	α-helix	trans	-68.7	-17.5	178.5	-64.3	-48.8	-175.6	-179.3	0	114.3	L43 W115 K126 V127 V128 Y132 E133 V134	L43-K130 HydrophobicContact CB-CD 4.36Å; L43-K130 HydrophobicContact CD2-CD 4.39Å; W115-K130 HydrophobicContact CZ3-CB 4.42Å; K126-K130 WeakPolarHBondContact O-CG 3.26Å; K126-K130 PolarHBondContact O-N 3.07Å; V127-K130 PolarHBondContact O-N 3.15Å; V127-K130 VanDerWaalsContact O-N 3.11Å; V128-K130 VanDerWaalsContact C-N 3.26Å; V128-K130 PolarHBondContact O-N 2.8Å; K130-Y132 VanDerWaalsContact C-N 3.27Å; K130-Y132 PolarHBondContact O-N 3.33Å; K130-E133 WeakPolarHBondContact CD-OE1 3.15Å; K130-E133 IonicContact NZ-OE1 2.8Å; K130-E133 PolarHBondContact NZ-OE1 3.35Å; K130-E133 IonicContact NZ-OE2 3.44Å; K130-E133 PolarHBondContact NZ-OE2 3.17Å; K130-E133 PolarHBondContact O-N 2.98Å; K130-V134 VanDerWaalsContact O-CG2 3.31Å; K130-V134 WeakPolarHBondContact O-CG2 3.3Å; K130-V134 PolarHBondContact O-N 3.36Å
131	T	98.4	Very high	97	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-36.6	177.9	64	0	0	0	0	112.4	W115 V127 V128 E129 V134 A135 L162 I166	W115-T131 HydrophobicContact CH2-CG2 4.29Å; V127-T131 PolarHBondContact O-N 3.37Å; V128-T131 WeakPolarHBondContact O-CB 3.47Å; V128-T131 WeakPolarHBondContact O-CG2 3.41Å; V128-T131 PolarHBondContact O-N 1.98Å; V128-T131 VanDerWaalsContact O-N 3.09Å; V128-T131 PolarHBondContact O-OG1 3.43Å; E129-T131 PolarHBondContact O-N 3.05Å; T131-V134 PolarHBondContact O-N 2.89Å; T131-A135 WeakPolarHBondContact O-CB 3.38Å; T131-A135 PolarHBondContact O-N 3.27Å; T131-L162 HydrophobicContact CG2-CB 4.18Å; T131-L162 HydrophobicContact CG2-CD1 4.4Å; T131-L162 HydrophobicContact CG2-CD2 4.35Å; T131-I166 HydrophobicContact CG2-CD1 4.14Å; T131-I166 HydrophobicContact CG2-CG1 3.96Å
132	Y	98.2	Very high	97.2	Very high	84 Å²	84	49.3 Å²	49.3	33%	0.329	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-45.7	177.3	-62.2	-78.9	0	0	0	111.9	E129 K130 V134 A135 D136 F169	E129-Y132 PolarHBondContact O-N 3.26Å; K130-Y132 VanDerWaalsContact C-N 3.27Å; K130-Y132 PolarHBondContact O-N 3.33Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.07Å; Y132-A135 PolarHBondContact O-N 2.74Å; Y132-D136 PolarHBondContact O-N 3.08Å; Y132-F169 HydrophobicContact CD1-CD2 4.05Å; Y132-F169 AromaticContact CD1-CE2 3.88Å; Y132-F169 HydrophobicContact CD1-CE2 3.88Å; Y132-F169 HydrophobicContact CD1-CZ 4.18Å; Y132-F169 HydrophobicContact CE1-CD1 4.45Å; Y132-F169 HydrophobicContact CE1-CD2 4.18Å; Y132-F169 AromaticContact CE1-CE1 3.94Å; Y132-F169 HydrophobicContact CE1-CE1 3.94Å; Y132-F169 AromaticContact CE1-CE2 3.63Å; Y132-F169 HydrophobicContact CE1-CE2 3.63Å; Y132-F169 AromaticContact CE1-CZ 3.48Å; Y132-F169 HydrophobicContact CE1-CZ 3.48Å; Y132-F169 VanDerWaalsContact CE1-CZ 3.48Å; Y132-F169 HydrophobicContact CG-CE2 4.46Å; Y132-F169 AromaticContact CZ-CZ 3.79Å
133	E	98.4	Very high	97.5	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-37.1	177	-70.2	172	-130.2	0	0	111.7	L43 K130 N137	L43-E133 HydrophobicContact CD2-CB 3.46Å; L43-E133 VanDerWaalsContact CD2-CB 3.46Å; L43-E133 HydrophobicContact CD2-CG 4.43Å; L43-E133 WeakPolarHBondContact CD2-OE2 3.34Å; K130-E133 WeakPolarHBondContact CD-OE1 3.15Å; K130-E133 IonicContact NZ-OE1 2.8Å; K130-E133 PolarHBondContact NZ-OE1 3.35Å; K130-E133 IonicContact NZ-OE2 3.44Å; K130-E133 PolarHBondContact NZ-OE2 3.17Å; K130-E133 PolarHBondContact O-N 2.98Å; E133-N137 PolarHBondContact O-N 3.22Å; E133-N137 VanDerWaalsContact O-N 3.13Å
134	V	98.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-44.2	173.9	178	0	0	0	0	110.8	L43 I45 V113 W115 K130 T131 Y132 D136 N137 L138 I166	L43-V134 HydrophobicContact CD1-CG2 3.81Å; L43-V134 HydrophobicContact CD2-CG2 4.14Å; I45-V134 HydrophobicContact CD1-CB 4.17Å; I45-V134 HydrophobicContact CD1-CG1 4.18Å; I45-V134 HydrophobicContact CD1-CG2 3.93Å; I45-V134 HydrophobicContact CG1-CG2 4.25Å; V113-V134 HydrophobicContact CG1-CG1 4.38Å; W115-V134 HydrophobicContact CB-CG1 4.27Å; W115-V134 HydrophobicContact CB-CG2 3.84Å; W115-V134 HydrophobicContact CD2-CG2 4Å; W115-V134 HydrophobicContact CE3-CG2 3.8Å; W115-V134 HydrophobicContact CG-CG1 4.3Å; W115-V134 HydrophobicContact CG-CG2 4.04Å; K130-V134 VanDerWaalsContact O-CG2 3.31Å; K130-V134 WeakPolarHBondContact O-CG2 3.3Å; K130-V134 PolarHBondContact O-N 3.36Å; T131-V134 PolarHBondContact O-N 2.89Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.07Å; V134-D136 VanDerWaalsContact C-N 3.35Å; V134-D136 PolarHBondContact O-N 3.46Å; V134-N137 PolarHBondContact O-N 3.26Å; V134-L138 HydrophobicContact CG1-CD1 4.14Å; V134-L138 HydrophobicContact CG1-CG 4.33Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 3Å; V134-I166 HydrophobicContact CB-CD1 4.17Å; V134-I166 HydrophobicContact CB-CG2 4.41Å; V134-I166 HydrophobicContact CG1-CD1 4.02Å; V134-I166 HydrophobicContact CG1-CG2 3.86Å
135	A	98.8	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-40.1	177.2	0	0	0	0	0	112.4	T131 Y132 N137 L138 T139 I166 F169 V170	T131-A135 WeakPolarHBondContact O-CB 3.38Å; T131-A135 PolarHBondContact O-N 3.27Å; Y132-A135 PolarHBondContact O-N 2.74Å; A135-N137 PolarHBondContact O-N 2.79Å; A135-L138 PolarHBondContact O-N 2.78Å; A135-T139 VanDerWaalsContact O-CB 3.29Å; A135-T139 WeakPolarHBondContact O-CB 3.32Å; A135-T139 PolarHBondContact O-N 3.27Å; A135-T139 PolarHBondContact O-OG1 2.62Å; A135-I166 HydrophobicContact CB-CG2 4.37Å; A135-F169 HydrophobicContact CB-CB 3.47Å; A135-F169 VanDerWaalsContact CB-CB 3.47Å; A135-F169 HydrophobicContact CB-CD2 4.33Å; A135-F169 HydrophobicContact CB-CG 4.41Å; A135-V170 HydrophobicContact CB-CG2 3.98Å
136	D	98.8	Very high	98	Very high	80 Å²	80	41.6 Å²	41.6	43%	0.428	21%	0.206	S	C	.	.	H	α-helix	trans	-60.2	-45.1	174.6	-75.7	-29.2	0	0	0	111.8	Y132 V134 T139 A140 K173	Y132-D136 PolarHBondContact O-N 3.08Å; V134-D136 VanDerWaalsContact C-N 3.35Å; V134-D136 PolarHBondContact O-N 3.46Å; D136-T139 PolarHBondContact O-N 3.27Å; D136-A140 PolarHBondContact O-N 2.95Å; D136-K173 WeakPolarHBondContact OD1-CE 3.5Å; D136-K173 IonicContact OD1-NZ 3.83Å; D136-K173 PolarHBondContact OD1-NZ 2.81Å
137	N	98.7	Very high	98.1	Very high	54 Å²	54	43.3 Å²	43.3	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-46.2	178	-176.1	-85.3	0	0	0	112.3	I45 H63 E133 V134 A135 A140 F141	I45-N137 HydrophobicContact CD1-CB 3.46Å; I45-N137 VanDerWaalsContact CD1-CB 3.46Å; H63-N137 PolarHBondContact CE1-OD1 3.45Å; H63-N137 PolarHBondContact ND1-ND2 2.85Å; H63-N137 PolarHBondContact ND1-OD1 2.81Å; E133-N137 PolarHBondContact O-N 3.22Å; E133-N137 VanDerWaalsContact O-N 3.13Å; V134-N137 PolarHBondContact O-N 3.26Å; A135-N137 PolarHBondContact O-N 2.79Å; N137-A140 PolarHBondContact O-N 2.93Å; N137-F141 PolarHBondContact O-N 2.86Å
138	L	98.9	Very high	98.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-39.4	177.9	-68.4	-178.5	0	0	0	112.2	L47 I82 V113 V134 A135 F141 I142 I166 V170	L47-L138 HydrophobicContact CD2-CD2 3.69Å; I82-L138 HydrophobicContact CD1-CD1 3.89Å; I82-L138 HydrophobicContact CG1-CD1 4.34Å; V113-L138 HydrophobicContact CB-CD2 4.48Å; V113-L138 HydrophobicContact CG1-CD1 4.16Å; V113-L138 HydrophobicContact CG1-CD2 3.88Å; V113-L138 HydrophobicContact CG1-CG 4.41Å; V113-L138 HydrophobicContact CG2-CD1 4.16Å; V113-L138 HydrophobicContact CG2-CD2 3.72Å; V134-L138 HydrophobicContact CG1-CD1 4.14Å; V134-L138 HydrophobicContact CG1-CG 4.33Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 3Å; A135-L138 PolarHBondContact O-N 2.78Å; L138-F141 PolarHBondContact O-N 2.88Å; L138-I142 WeakPolarHBondContact O-CB 3.23Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.96Å; L138-I166 HydrophobicContact CD1-CG2 3.82Å; L138-V170 HydrophobicContact CB-CG2 3.7Å; L138-V170 HydrophobicContact CD1-CG2 4.15Å
139	T	98.9	Very high	98	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.08	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-47.9	175.4	-59.2	0	0	0	0	110.5	A135 D136 F141 I142 N143 K173 L174	A135-T139 VanDerWaalsContact O-CB 3.29Å; A135-T139 WeakPolarHBondContact O-CB 3.32Å; A135-T139 PolarHBondContact O-N 3.27Å; A135-T139 PolarHBondContact O-OG1 2.62Å; D136-T139 PolarHBondContact O-N 3.27Å; T139-F141 VanDerWaalsContact C-N 3.32Å; T139-F141 PolarHBondContact O-N 2.88Å; T139-I142 PolarHBondContact O-N 2.94Å; T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.89Å; T139-K173 HydrophobicContact CG2-CB 3.73Å; T139-K173 HydrophobicContact CG2-CD 4.38Å; T139-K173 WeakPolarHBondContact OG1-CD 3.44Å; T139-L174 HydrophobicContact CG2-CD2 3.9Å; T139-L174 HydrophobicContact CG2-CG 4.14Å
140	A	98.7	Very high	98.1	Very high	51 Å²	51	44.6 Å²	44.6	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-42.6	177.3	0	0	0	0	0	111.8	D136 N137 N143 I144	D136-A140 PolarHBondContact O-N 2.95Å; N137-A140 PolarHBondContact O-N 2.93Å; A140-N143 PolarHBondContact O-N 2.79Å; A140-I144 WeakPolarHBondContact O-CG1 3.48Å; A140-I144 PolarHBondContact O-N 2.76Å
141	F	98.8	Very high	98.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-44.8	176.6	-178.6	-104.1	0	0	0	112.6	L47 L61 L66 F72 F80 N137 L138 T139 N143 I144 M145	L47-F141 HydrophobicContact CD1-CB 4.28Å; L47-F141 HydrophobicContact CD1-CD1 3.63Å; L47-F141 HydrophobicContact CD1-CD2 3.59Å; L47-F141 HydrophobicContact CD1-CE1 3.71Å; L47-F141 HydrophobicContact CD1-CE2 3.66Å; L47-F141 HydrophobicContact CD1-CG 3.55Å; L47-F141 HydrophobicContact CD1-CZ 3.71Å; L61-F141 HydrophobicContact CD1-CZ 3.72Å; L66-F141 HydrophobicContact CD2-CD2 4.49Å; L66-F141 HydrophobicContact CD2-CE2 3.57Å; L66-F141 HydrophobicContact CD2-CZ 3.92Å; F72-F141 HydrophobicContact CE1-CE1 4.12Å; F72-F141 AromaticContact CE1-CZ 3.62Å; F72-F141 HydrophobicContact CE1-CZ 3.62Å; F72-F141 HydrophobicContact CZ-CE1 4.29Å; F72-F141 HydrophobicContact CZ-CZ 4.23Å; F80-F141 HydrophobicContact CE1-CD1 4.12Å; F80-F141 HydrophobicContact CE1-CE1 4.1Å; F80-F141 HydrophobicContact CZ-CD1 4.14Å; F80-F141 HydrophobicContact CZ-CE1 4.06Å; N137-F141 PolarHBondContact O-N 2.86Å; L138-F141 PolarHBondContact O-N 2.88Å; T139-F141 VanDerWaalsContact C-N 3.32Å; T139-F141 PolarHBondContact O-N 2.88Å; F141-N143 VanDerWaalsContact C-N 3.35Å; F141-N143 PolarHBondContact O-N 3.42Å; F141-I144 WeakPolarHBondContact O-CB 3.44Å; F141-I144 PolarHBondContact O-N 3.15Å; F141-M145 HydrophobicContact CD1-CG 4.32Å; F141-M145 HydrophobicContact CD1-SD 3.8Å; F141-M145 HydrophobicContact CE1-CG 4.04Å; F141-M145 HydrophobicContact CE1-SD 3.48Å; F141-M145 WeakPolarHBondContact CE1-SD 3.25Å; F141-M145 HydrophobicContact CZ-CG 4.42Å; F141-M145 HydrophobicContact CZ-SD 4.34Å; F141-M145 WeakPolarHBondContact O-CG 3.49Å; F141-M145 PolarHBondContact O-N 2.88Å
142	I	98.7	Very high	98.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-35.9	178.9	-70	165.7	0	0	0	111.5	F80 L138 T139 I144 M145 Q146 L152 I155 L157 V170 L174 I178	F80-I142 HydrophobicContact CE2-CD1 4.33Å; F80-I142 HydrophobicContact CE2-CG1 4.24Å; F80-I142 HydrophobicContact CZ-CD1 4.31Å; F80-I142 HydrophobicContact CZ-CG1 3.93Å; L138-I142 WeakPolarHBondContact O-CB 3.23Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.96Å; T139-I142 PolarHBondContact O-N 2.94Å; I142-I144 VanDerWaalsContact C-N 3.32Å; I142-I144 PolarHBondContact O-N 2.9Å; I142-M145 HydrophobicContact CG1-SD 4.31Å; I142-M145 WeakPolarHBondContact O-CB 3.4Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-Q146 PolarHBondContact O-N 3.5Å; I142-L152 HydrophobicContact CG2-CD2 3.41Å; I142-L152 VanDerWaalsContact CG2-CD2 3.41Å; I142-I155 HydrophobicContact CG1-CD1 4.37Å; I142-I155 HydrophobicContact CG2-CD1 3.54Å; I142-L157 HydrophobicContact CD1-CD2 4.42Å; I142-V170 HydrophobicContact CD1-CG1 3.63Å; I142-L174 HydrophobicContact CB-CD1 4.1Å; I142-L174 HydrophobicContact CD1-CD1 4.22Å; I142-L174 HydrophobicContact CG2-CD1 3.55Å; I142-I178 HydrophobicContact CG2-CD1 4.45Å
143	N	98.5	Very high	98.1	Very high	59 Å²	59	44 Å²	44	32%	0.316	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-43	171.8	-76	-28.5	0	0	0	111.5	T139 A140 F141 M145 Q146 E147 L174	T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.89Å; A140-N143 PolarHBondContact O-N 2.79Å; F141-N143 VanDerWaalsContact C-N 3.35Å; F141-N143 PolarHBondContact O-N 3.42Å; N143-M145 VanDerWaalsContact C-N 3.33Å; N143-M145 PolarHBondContact O-N 3.3Å; N143-Q146 WeakPolarHBondContact O-CB 3.42Å; N143-Q146 PolarHBondContact O-N 3.18Å; N143-Q146 VanDerWaalsContact O-N 3.15Å; N143-E147 WeakPolarHBondContact O-CG 3.31Å; N143-E147 PolarHBondContact O-N 3.09Å; N143-L174 WeakPolarHBondContact OD1-CD2 3.5Å
144	I	98.1	Very high	98.1	Very high	32 Å²	32	41.8 Å²	41.8	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-40.2	175.6	-63.9	167.3	0	0	0	110.7	H63 T64 L66 A140 F141 I142 Q146 E147 H148	H63-I144 WeakPolarHBondContact O-CD1 3.33Å; T64-I144 HydrophobicContact CG2-CD1 4.5Å; L66-I144 HydrophobicContact CD1-CG2 3.79Å; L66-I144 HydrophobicContact CG-CG2 3.98Å; A140-I144 WeakPolarHBondContact O-CG1 3.48Å; A140-I144 PolarHBondContact O-N 2.76Å; F141-I144 WeakPolarHBondContact O-CB 3.44Å; F141-I144 PolarHBondContact O-N 3.15Å; I142-I144 VanDerWaalsContact C-N 3.32Å; I142-I144 PolarHBondContact O-N 2.9Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 2.81Å; I144-E147 PolarHBondContact O-N 3.03Å; I144-H148 PolarHBondContact O-N 3.3Å; I144-H148 VanDerWaalsContact O-N 3.12Å; I144-H148 PolarHBondContact O-ND1 2.82Å
145	M	98.1	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-43.6	173.2	-66.2	172	56.5	0	0	111.6	L66 F72 M74 T78 F80 F141 I142 N143 H148 G149 A150 I155	L66-M145 HydrophobicContact CD1-CG 4.08Å; F72-M145 HydrophobicContact CE1-CG 4.22Å; F72-M145 HydrophobicContact CE1-SD 4.35Å; F72-M145 HydrophobicContact CE2-CE 4.3Å; F72-M145 HydrophobicContact CZ-CE 3.71Å; F72-M145 HydrophobicContact CZ-CG 4.16Å; F72-M145 HydrophobicContact CZ-SD 3.82Å; M74-M145 HydrophobicContact SD-CB 3.87Å; M74-M145 HydrophobicContact SD-CE 4.48Å; M74-M145 HydrophobicContact SD-CG 4.01Å; T78-M145 HydrophobicContact CG2-CE 3.93Å; F80-M145 HydrophobicContact CE2-CE 4.44Å; F80-M145 HydrophobicContact CE2-SD 4.32Å; F80-M145 HydrophobicContact CZ-CE 4.38Å; F80-M145 HydrophobicContact CZ-SD 3.75Å; F141-M145 HydrophobicContact CD1-CG 4.32Å; F141-M145 HydrophobicContact CD1-SD 3.8Å; F141-M145 HydrophobicContact CE1-CG 4.04Å; F141-M145 HydrophobicContact CE1-SD 3.48Å; F141-M145 WeakPolarHBondContact CE1-SD 3.25Å; F141-M145 HydrophobicContact CZ-CG 4.42Å; F141-M145 HydrophobicContact CZ-SD 4.34Å; F141-M145 WeakPolarHBondContact O-CG 3.49Å; F141-M145 PolarHBondContact O-N 2.88Å; I142-M145 HydrophobicContact CG1-SD 4.31Å; I142-M145 WeakPolarHBondContact O-CB 3.4Å; I142-M145 PolarHBondContact O-N 3.44Å; N143-M145 VanDerWaalsContact C-N 3.33Å; N143-M145 PolarHBondContact O-N 3.3Å; M145-H148 CarbonylContact O-C 3.42Å; M145-H148 WeakPolarHBondContact O-CA 3.34Å; M145-H148 PolarHBondContact O-N 3.04Å; M145-H148 VanDerWaalsContact O-N 3.11Å; M145-G149 PolarHBondContact O-N 3.36Å; M145-A150 HydrophobicContact CB-CB 3.84Å; M145-A150 HydrophobicContact CE-CB 4.22Å; M145-A150 VanDerWaalsContact O-CB 3.27Å; M145-A150 WeakPolarHBondContact O-CB 2.98Å; M145-A150 PolarHBondContact O-N 3.28Å; M145-I155 HydrophobicContact CE-CD1 4.31Å
146	Q	97.5	Very high	98.1	Very high	93 Å²	93	42.7 Å²	42.7	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-42.1	178.4	-171	-177.2	29	0	0	111.9	I142 N143 I144 H148 G149 L152	I142-Q146 PolarHBondContact O-N 3.5Å; N143-Q146 WeakPolarHBondContact O-CB 3.42Å; N143-Q146 PolarHBondContact O-N 3.18Å; N143-Q146 VanDerWaalsContact O-N 3.15Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 2.81Å; Q146-H148 PolarHBondContact O-N 2.91Å; Q146-G149 PolarHBondContact O-N 2.71Å; Q146-L152 HydrophobicContact CB-CD2 4.18Å; Q146-L152 HydrophobicContact CG-CD2 4.39Å; Q146-L152 HydrophobicContact CG-CG 4.3Å
147	E	96.7	Very high	98.1	Very high	155 Å²	155	39 Å²	39	72%	0.724	23%	0.23	S	C	*	.	H	α-helix	trans	-58.9	-29.9	173.1	-71.3	171.9	-176.1	0	0	112.3	N143 I144 G149	N143-E147 WeakPolarHBondContact O-CG 3.31Å; N143-E147 PolarHBondContact O-N 3.09Å; I144-E147 PolarHBondContact O-N 3.03Å; E147-G149 VanDerWaalsContact C-N 3.32Å
148	H	96	Very high	98.2	Very high	101 Å²	101	36.4 Å²	36.4	47%	0.468	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12	175.4	-68.2	72.3	0	0	0	113.5	L66 M74 I144 M145 Q146	L66-H148 HydrophobicContact CD1-CB 4.35Å; M74-H148 HydrophobicContact CG-CB 3.89Å; M74-H148 HydrophobicContact SD-CB 4.44Å; I144-H148 PolarHBondContact O-N 3.3Å; I144-H148 VanDerWaalsContact O-N 3.12Å; I144-H148 PolarHBondContact O-ND1 2.82Å; M145-H148 CarbonylContact O-C 3.42Å; M145-H148 WeakPolarHBondContact O-CA 3.34Å; M145-H148 PolarHBondContact O-N 3.04Å; M145-H148 VanDerWaalsContact O-N 3.11Å; Q146-H148 PolarHBondContact O-N 2.91Å
149	G	96.2	Very high	98.2	Very high	57 Å²	57	36.3 Å²	36.3	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.8	6.2	170.6	0	0	0	0	0	115.8	M145 Q146 E147	M145-G149 PolarHBondContact O-N 3.36Å; Q146-G149 PolarHBondContact O-N 2.71Å; E147-G149 VanDerWaalsContact C-N 3.32Å
150	A	97.6	Very high	98.1	Very high	7 Å²	7	35.9 Å²	35.9	6%	0.058	21%	0.213	C	C	.	.			trans	-67.5	137.6	172.7	0	0	0	0	0	111	M74 M145	M74-A150 HydrophobicContact CB-CB 4.28Å; M74-A150 WeakPolarHBondContact O-CA 3.37Å; M74-A150 HydrophobicContact SD-CB 4.1Å; M145-A150 HydrophobicContact CB-CB 3.84Å; M145-A150 HydrophobicContact CE-CB 4.22Å; M145-A150 VanDerWaalsContact O-CB 3.27Å; M145-A150 WeakPolarHBondContact O-CB 2.98Å; M145-A150 PolarHBondContact O-N 3.28Å
151	S	98.3	Very high	98.1	Very high	55 Å²	55	33.9 Å²	33.9	39%	0.385	20%	0.197	S	C	.	.			trans	-84.2	127.7	171.3	-176.3	0	0	0	0	110.7	S153 S154	S151-S153 PolarHBondContact O-N 2.99Å; S151-S153 PolarHBondContact OG-N 2.87Å; S151-S153 PolarHBondContact OG-OG 2.71Å; S151-S154 PolarHBondContact O-N 3.39Å; S151-S154 PolarHBondContact O-OG 3.18Å
152	L	98.6	Very high	98.1	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.063	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.8	-31	174	-60.3	-175.1	0	0	0	111.9	I142 Q146 S154 I155 S177 G179	I142-L152 HydrophobicContact CG2-CD2 3.41Å; I142-L152 VanDerWaalsContact CG2-CD2 3.41Å; Q146-L152 HydrophobicContact CB-CD2 4.18Å; Q146-L152 HydrophobicContact CG-CD2 4.39Å; Q146-L152 HydrophobicContact CG-CG 4.3Å; L152-S154 PolarHBondContact O-N 3.18Å; L152-I155 HydrophobicContact CD2-CD1 3.9Å; L152-I155 WeakPolarHBondContact O-CB 3.46Å; L152-I155 PolarHBondContact O-N 2.98Å; L152-I155 VanDerWaalsContact O-N 3.1Å; L152-S177 CarbonylContact C-O 3.5Å; L152-S177 WeakPolarHBondContact CB-O 3.49Å; L152-G179 PolarHBondContact O-N 3.25Å
153	S	98.3	Very high	98.1	Very high	65 Å²	65	33.8 Å²	33.8	46%	0.455	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-70.1	-15.4	177.4	73.5	0	0	0	0	113.5	S151 G179	S151-S153 PolarHBondContact O-N 2.99Å; S151-S153 PolarHBondContact OG-N 2.87Å; S151-S153 PolarHBondContact OG-OG 2.71Å; S153-G179 WeakPolarHBondContact O-CA 3.49Å
154	S	98.1	Very high	98.1	Very high	39 Å²	39	31 Å²	31	27%	0.273	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-97.2	7.3	173.4	60.3	0	0	0	0	113.3	T78 S151 L152	T78-S154 PolarHBondContact N-O 3.4Å; T78-S154 VanDerWaalsContact N-O 3.14Å; S151-S154 PolarHBondContact O-N 3.39Å; S151-S154 PolarHBondContact O-OG 3.18Å; L152-S154 PolarHBondContact O-N 3.18Å
155	I	98.8	Very high	98.2	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.8	174	-62.4	177.4	0	0	0	110	T78 F80 I142 M145 L152 L157 I178 G179 R180	T78-I155 WeakPolarHBondContact O-CA 2.97Å; F80-I155 HydrophobicContact CD2-CG2 3.87Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; I142-I155 HydrophobicContact CG1-CD1 4.37Å; I142-I155 HydrophobicContact CG2-CD1 3.54Å; M145-I155 HydrophobicContact CE-CD1 4.31Å; L152-I155 HydrophobicContact CD2-CD1 3.9Å; L152-I155 WeakPolarHBondContact O-CB 3.46Å; L152-I155 PolarHBondContact O-N 2.98Å; L152-I155 VanDerWaalsContact O-N 3.1Å; I155-L157 HydrophobicContact CG2-CD2 3.71Å; I155-L157 HydrophobicContact CG2-CG 4.29Å; I155-I178 HydrophobicContact CB-CD1 4Å; I155-I178 HydrophobicContact CD1-CD1 4.22Å; I155-I178 HydrophobicContact CG2-CD1 3.88Å; I155-G179 PolarHBondContact O-N 3.46Å; I155-R180 PolarHBondContact O-N 3.01Å; I155-R180 VanDerWaalsContact O-N 3.17Å
156	H	98.9	Very high	98.2	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.4	173	179.3	-166.2	0	0	0	109.9	T78 T79 F80 I158 R180 T182	T78-H156 PolarHBondContact O-N 3.29Å; T79-H156 CarbonylContact C-O 3.51Å; T79-H156 VanDerWaalsContact CA-O 3.24Å; T79-H156 WeakPolarHBondContact CA-O 3.26Å; T79-H156 HydrophobicContact CG2-CB 4.4Å; F80-H156 PolarHBondContact N-O 3.09Å; H156-I158 WeakPolarHBondContact NE2-CG1 3.49Å; H156-R180 CarbonylContact C-O 3.54Å; H156-R180 WeakPolarHBondContact CA-O 3.49Å; H156-R180 HydrophobicContact CB-CB 4.45Å; H156-R180 PolarHBondContact CD2-O 3.4Å; H156-T182 WeakPolarHBondContact NE2-CB 2.97Å; H156-T182 PolarHBondContact NE2-OG1 3.41Å
157	L	98.9	Very high	98.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119	174.7	-50.4	179.7	0	0	0	109.4	F80 I82 I142 I155 V170 I178 R180 I181 T182	F80-L157 HydrophobicContact CB-CD2 3.68Å; F80-L157 HydrophobicContact CD2-CD2 3.57Å; F80-L157 HydrophobicContact CE2-CD2 4.41Å; F80-L157 HydrophobicContact CG-CD2 3.78Å; I82-L157 HydrophobicContact CD1-CB 4.47Å; I142-L157 HydrophobicContact CD1-CD2 4.42Å; I155-L157 HydrophobicContact CG2-CD2 3.71Å; I155-L157 HydrophobicContact CG2-CG 4.29Å; L157-V170 HydrophobicContact CD1-CB 4.03Å; L157-V170 HydrophobicContact CD1-CG1 3.8Å; L157-I178 HydrophobicContact CD1-CG1 4.43Å; L157-I178 HydrophobicContact CD1-CG2 4.2Å; L157-I178 HydrophobicContact CG-CG2 4.09Å; L157-R180 PolarHBondContact N-O 2.83Å; L157-I181 HydrophobicContact CB-CG1 4.19Å; L157-I181 HydrophobicContact CD1-CG1 4.28Å; L157-I181 CarbonylContact O-C 3.59Å; L157-I181 VanDerWaalsContact O-CA 3.32Å; L157-I181 WeakPolarHBondContact O-CA 3.47Å; L157-T182 PolarHBondContact O-N 3.24Å
158	I	98.9	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.1	172.4	-56.7	175.7	0	0	0	107.8	T79 F80 I82 F98 L102 H156 T182 L184 F262	T79-I158 HydrophobicContact CG2-CD1 3.59Å; T79-I158 HydrophobicContact CG2-CG1 3.98Å; F80-I158 PolarHBondContact O-N 3.35Å; I82-I158 PolarHBondContact N-O 3.13Å; F98-I158 HydrophobicContact CE1-CG2 4.2Å; F98-I158 HydrophobicContact CE2-CD1 4.23Å; F98-I158 HydrophobicContact CZ-CD1 3.92Å; F98-I158 HydrophobicContact CZ-CG2 3.94Å; L102-I158 HydrophobicContact CD1-CD1 4.27Å; L102-I158 HydrophobicContact CD2-CD1 4.41Å; H156-I158 WeakPolarHBondContact NE2-CG1 3.49Å; I158-T182 WeakPolarHBondContact CA-O 3.38Å; I158-L184 HydrophobicContact CG2-CD1 3.65Å; I158-L184 HydrophobicContact CG2-CG 4.12Å; I158-F262 HydrophobicContact CD1-CE1 3.82Å; I158-F262 HydrophobicContact CD1-CZ 4.16Å
159	G	98.9	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.4	-178.6	0	0	0	0	0	112	G163 T182 L184	G159-G163 WeakPolarHBondContact CA-O 3.5Å; G159-T182 PolarHBondContact N-O 3.34Å; G159-L184 PolarHBondContact O-N 3.11Å
160	V	98.7	Very high	98.7	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130	175.5	-174.4	0	0	0	0	109.3	I82 H83 G84 W94 L162 G163 L184 V259	I82-V160 PolarHBondContact O-N 2.94Å; H83-V160 CarbonylContact C-O 3.46Å; G84-V160 VanDerWaalsContact CA-O 3.32Å; G84-V160 WeakPolarHBondContact CA-O 2.99Å; G84-V160 PolarHBondContact N-O 3.23Å; G84-V160 VanDerWaalsContact N-O 3.16Å; W94-V160 HydrophobicContact CH2-CG2 4.05Å; W94-V160 HydrophobicContact CZ2-CG2 4.16Å; V160-L162 PolarHBondContact O-N 3.42Å; V160-G163 WeakPolarHBondContact O-CA 2.99Å; V160-G163 PolarHBondContact O-N 3.48Å; V160-L184 WeakPolarHBondContact CA-O 3.39Å; V160-L184 HydrophobicContact CG2-CB 4.19Å; V160-L184 HydrophobicContact CG2-CD1 4.15Å; V160-V259 HydrophobicContact CB-CG2 4.46Å; V160-V259 HydrophobicContact CG1-CG2 3.69Å; V160-V259 HydrophobicContact CG2-CG2 3.85Å
161	S	98.3	Very high	98.7	Very high	10 Å²	10	10.2 Å²	10.2	7%	0.07	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-124.7	175.7	-174.4	0	0	0	0	111.4	G163 A164 L184 D185 A187 H255	S161-G163 PolarHBondContact O-N 2.64Å; S161-G163 VanDerWaalsContact O-N 3.15Å; S161-A164 VanDerWaalsContact O-CB 3.25Å; S161-A164 WeakPolarHBondContact O-CB 3.35Å; S161-A164 PolarHBondContact O-N 2.92Å; S161-L184 PolarHBondContact N-O 3.14Å; S161-D185 VanDerWaalsContact CA-O 3.32Å; S161-D185 WeakPolarHBondContact CA-O 3.41Å; S161-D185 PolarHBondContact N-O 3.14Å; S161-A187 PolarHBondContact O-N 3.46Å; S161-H255 WeakPolarHBondContact CB-NE2 3.31Å; S161-H255 PolarHBondContact OG-CE1 3.27Å; S161-H255 PolarHBondContact OG-NE2 3.16Å
162	L	98.7	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-55.1	-27.9	171.8	-69.6	179	0	0	0	113.7	F85 W115 Y124 V127 V128 T131 V160 A164 H165 I166 A187 F191	F85-L162 HydrophobicContact CB-CD1 3.88Å; F85-L162 HydrophobicContact CB-CG 4.44Å; W115-L162 HydrophobicContact CH2-CB 4.38Å; W115-L162 HydrophobicContact CH2-CD1 4.1Å; W115-L162 HydrophobicContact CZ2-CB 4.27Å; Y124-L162 HydrophobicContact CE2-CD1 4.11Å; Y124-L162 HydrophobicContact CE2-CD2 4.23Å; Y124-L162 HydrophobicContact CE2-CG 4.34Å; Y124-L162 WeakPolarHBondContact OH-CD2 3.31Å; V127-L162 HydrophobicContact CB-CD1 4.35Å; V127-L162 HydrophobicContact CG1-CD1 3.59Å; V128-L162 HydrophobicContact CG2-CD2 4.07Å; T131-L162 HydrophobicContact CG2-CB 4.18Å; T131-L162 HydrophobicContact CG2-CD1 4.4Å; T131-L162 HydrophobicContact CG2-CD2 4.35Å; V160-L162 PolarHBondContact O-N 3.42Å; L162-A164 PolarHBondContact O-N 3.08Å; L162-H165 PolarHBondContact O-N 3.06Å; L162-H165 VanDerWaalsContact O-N 3.17Å; L162-I166 PolarHBondContact O-N 3.34Å; L162-I166 VanDerWaalsContact O-N 3.09Å; L162-A187 HydrophobicContact CD2-CB 3.89Å; L162-A187 HydrophobicContact CG-CB 4.29Å; L162-F191 HydrophobicContact CD2-CD2 4.44Å; L162-F191 HydrophobicContact CD2-CE2 3.45Å; L162-F191 VanDerWaalsContact CD2-CE2 3.45Å; L162-F191 HydrophobicContact CD2-CZ 4.05Å
163	G	98.8	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-25.7	175.5	0	0	0	0	0	113.7	G159 V160 S161 S167	G159-G163 WeakPolarHBondContact CA-O 3.5Å; V160-G163 WeakPolarHBondContact O-CA 2.99Å; V160-G163 PolarHBondContact O-N 3.48Å; S161-G163 PolarHBondContact O-N 2.64Å; S161-G163 VanDerWaalsContact O-N 3.15Å; G163-S167 PolarHBondContact O-N 3.32Å; G163-S167 PolarHBondContact O-OG 3.43Å
164	A	98.9	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-43.6	173.2	0	0	0	0	0	111.5	S161 L162 S167 G168 A183 P186 L200	S161-A164 VanDerWaalsContact O-CB 3.25Å; S161-A164 WeakPolarHBondContact O-CB 3.35Å; S161-A164 PolarHBondContact O-N 2.92Å; L162-A164 PolarHBondContact O-N 3.08Å; A164-S167 WeakPolarHBondContact O-CB 3.49Å; A164-S167 PolarHBondContact O-N 3.19Å; A164-G168 PolarHBondContact O-N 2.88Å; A164-A183 HydrophobicContact CB-CB 3.96Å; A164-P186 HydrophobicContact CB-CB 3.73Å; A164-P186 HydrophobicContact CB-CG 3.8Å; A164-L200 HydrophobicContact CB-CD2 4.4Å
165	H	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-71	-38	176.6	-61.4	-47	0	0	0	112.2	L162 S167 G168 F169 A187 F191 L200	L162-H165 PolarHBondContact O-N 3.06Å; L162-H165 VanDerWaalsContact O-N 3.17Å; H165-S167 PolarHBondContact O-N 2.85Å; H165-G168 PolarHBondContact O-N 2.64Å; H165-G168 VanDerWaalsContact O-N 3.14Å; H165-F169 HydrophobicContact CB-CE2 4.16Å; H165-F169 HydrophobicContact CB-CZ 4.27Å; H165-F169 VanDerWaalsContact O-CD2 3.23Å; H165-F169 WeakPolarHBondContact O-CD2 3.16Å; H165-F169 WeakPolarHBondContact O-CG 3.47Å; H165-F169 PolarHBondContact O-N 3.47Å; H165-A187 PolarHBondContact NE2-O 3.3Å; H165-F191 HydrophobicContact CB-CD1 4.32Å; H165-F191 HydrophobicContact CB-CE1 3.76Å; H165-F191 HydrophobicContact CB-CZ 3.97Å; H165-F191 AromaticContact CD2-CD1 3.55Å; H165-F191 AromaticContact CD2-CD2 3.35Å; H165-F191 WeakPolarHBondContact CD2-CD2 3.47Å; H165-F191 AromaticContact CD2-CE1 3.62Å; H165-F191 AromaticContact CD2-CE2 3.45Å; H165-F191 VanDerWaalsContact CD2-CE2 3.45Å; H165-F191 WeakPolarHBondContact CD2-CE2 3.1Å; H165-F191 AromaticContact CD2-CG 3.42Å; H165-F191 VanDerWaalsContact CD2-CG 3.42Å; H165-F191 WeakPolarHBondContact CD2-CG 3.33Å; H165-F191 AromaticContact CD2-CZ 3.57Å; H165-F191 AromaticContact CE1-CG 3.97Å; H165-F191 AromaticContact CG-CD1 3.69Å; H165-F191 AromaticContact CG-CE1 3.61Å; H165-F191 AromaticContact CG-CZ 3.91Å; H165-F191 AromaticContact NE2-CD1 3.85Å; H165-F191 AromaticContact NE2-CD2 3.57Å; H165-F191 AromaticContact NE2-CG 3.4Å; H165-F191 WeakPolarHBondContact NE2-CG 3.2Å; H165-L200 PolarHBondContact ND1-N 3.21Å
166	I	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.2	-44.2	169.9	-65.6	169.9	0	0	0	110.2	I82 W115 T131 V134 A135 L138 L162 F169 V170	I82-I166 HydrophobicContact CD1-CG2 4.43Å; I82-I166 HydrophobicContact CG2-CB 4.13Å; I82-I166 HydrophobicContact CG2-CD1 4.1Å; I82-I166 HydrophobicContact CG2-CG2 3.99Å; W115-I166 HydrophobicContact CD2-CD1 4.26Å; W115-I166 HydrophobicContact CH2-CD1 4.23Å; W115-I166 HydrophobicContact CZ2-CD1 3.72Å; T131-I166 HydrophobicContact CG2-CD1 4.14Å; T131-I166 HydrophobicContact CG2-CG1 3.96Å; V134-I166 HydrophobicContact CB-CD1 4.17Å; V134-I166 HydrophobicContact CB-CG2 4.41Å; V134-I166 HydrophobicContact CG1-CD1 4.02Å; V134-I166 HydrophobicContact CG1-CG2 3.86Å; A135-I166 HydrophobicContact CB-CG2 4.37Å; L138-I166 HydrophobicContact CD1-CG2 3.82Å; L162-I166 PolarHBondContact O-N 3.34Å; L162-I166 VanDerWaalsContact O-N 3.09Å; I166-F169 PolarHBondContact O-N 3.04Å; I166-V170 VanDerWaalsContact O-CG2 3.31Å; I166-V170 WeakPolarHBondContact O-CG2 3.44Å; I166-V170 PolarHBondContact O-N 2.82Å
167	S	98.9	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-43.5	177.4	-54.5	0	0	0	0	112	I82 G163 A164 H165 V170 G171 I181	I82-S167 WeakPolarHBondContact CD1-OG 3.48Å; G163-S167 PolarHBondContact O-N 3.32Å; G163-S167 PolarHBondContact O-OG 3.43Å; A164-S167 WeakPolarHBondContact O-CB 3.49Å; A164-S167 PolarHBondContact O-N 3.19Å; H165-S167 PolarHBondContact O-N 2.85Å; S167-V170 PolarHBondContact O-N 3.44Å; S167-G171 PolarHBondContact O-N 3.1Å; S167-I181 WeakPolarHBondContact O-CD1 3.4Å
168	G	98.8	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-48.9	175	0	0	0	0	0	112.6	A164 H165 V170 G171 A172 D204	A164-G168 PolarHBondContact O-N 2.88Å; H165-G168 PolarHBondContact O-N 2.64Å; H165-G168 VanDerWaalsContact O-N 3.14Å; G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.25Å; G168-G171 WeakPolarHBondContact O-CA 3.27Å; G168-G171 PolarHBondContact O-N 2.8Å; G168-A172 PolarHBondContact O-N 3.17Å; G168-D204 WeakPolarHBondContact CA-OD2 3.19Å; G168-D204 VanDerWaalsContact O-CG 3.29Å
169	F	98.9	Very high	98.5	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.039	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-39.4	177.7	-60	-29.4	0	0	0	113.4	Y132 A135 H165 I166 K173 F191 Q198	Y132-F169 HydrophobicContact CD1-CD2 4.05Å; Y132-F169 AromaticContact CD1-CE2 3.88Å; Y132-F169 HydrophobicContact CD1-CE2 3.88Å; Y132-F169 HydrophobicContact CD1-CZ 4.18Å; Y132-F169 HydrophobicContact CE1-CD1 4.45Å; Y132-F169 HydrophobicContact CE1-CD2 4.18Å; Y132-F169 AromaticContact CE1-CE1 3.94Å; Y132-F169 HydrophobicContact CE1-CE1 3.94Å; Y132-F169 AromaticContact CE1-CE2 3.63Å; Y132-F169 HydrophobicContact CE1-CE2 3.63Å; Y132-F169 AromaticContact CE1-CZ 3.48Å; Y132-F169 HydrophobicContact CE1-CZ 3.48Å; Y132-F169 VanDerWaalsContact CE1-CZ 3.48Å; Y132-F169 HydrophobicContact CG-CE2 4.46Å; Y132-F169 AromaticContact CZ-CZ 3.79Å; A135-F169 HydrophobicContact CB-CB 3.47Å; A135-F169 VanDerWaalsContact CB-CB 3.47Å; A135-F169 HydrophobicContact CB-CD2 4.33Å; A135-F169 HydrophobicContact CB-CG 4.41Å; H165-F169 HydrophobicContact CB-CE2 4.16Å; H165-F169 HydrophobicContact CB-CZ 4.27Å; H165-F169 VanDerWaalsContact O-CD2 3.23Å; H165-F169 WeakPolarHBondContact O-CD2 3.16Å; H165-F169 WeakPolarHBondContact O-CG 3.47Å; H165-F169 PolarHBondContact O-N 3.47Å; I166-F169 PolarHBondContact O-N 3.04Å; F169-K173 WeakPolarHBondContact O-CB 3.42Å; F169-K173 WeakPolarHBondContact O-CD 3.13Å; F169-K173 VanDerWaalsContact O-CG 3.25Å; F169-K173 WeakPolarHBondContact O-CG 3.25Å; F169-K173 PolarHBondContact O-N 3.25Å; F169-K173 VanDerWaalsContact O-N 3.12Å; F169-F191 HydrophobicContact CE2-CE1 4.46Å; F169-F191 AromaticContact CZ-CE1 4Å; F169-F191 HydrophobicContact CZ-CE1 4Å; F169-Q198 VanDerWaalsContact CE1-C 3.49Å
170	V	98.9	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-47.1	172.9	170.3	0	0	0	0	110.4	A135 L138 I142 L157 I166 S167 G168 K173 L174	A135-V170 HydrophobicContact CB-CG2 3.98Å; L138-V170 HydrophobicContact CB-CG2 3.7Å; L138-V170 HydrophobicContact CD1-CG2 4.15Å; I142-V170 HydrophobicContact CD1-CG1 3.63Å; L157-V170 HydrophobicContact CD1-CB 4.03Å; L157-V170 HydrophobicContact CD1-CG1 3.8Å; I166-V170 VanDerWaalsContact O-CG2 3.31Å; I166-V170 WeakPolarHBondContact O-CG2 3.44Å; I166-V170 PolarHBondContact O-N 2.82Å; S167-V170 PolarHBondContact O-N 3.44Å; G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.25Å; V170-K173 PolarHBondContact O-N 2.97Å; V170-L174 HydrophobicContact CG1-CD1 3.84Å; V170-L174 WeakPolarHBondContact O-CG 3.33Å; V170-L174 PolarHBondContact O-N 3.46Å; V170-L174 VanDerWaalsContact O-N 3.09Å
171	G	98.8	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-48.7	178.2	0	0	0	0	0	113.7	S167 G168 K173 L174 N175 S176 D204	S167-G171 PolarHBondContact O-N 3.1Å; G168-G171 WeakPolarHBondContact O-CA 3.27Å; G168-G171 PolarHBondContact O-N 2.8Å; G171-K173 PolarHBondContact O-N 3.28Å; G171-L174 CarbonylContact O-C 3.16Å; G171-L174 PolarHBondContact O-N 2.95Å; G171-L174 VanDerWaalsContact O-N 3.14Å; G171-N175 PolarHBondContact O-N 3.02Å; G171-S176 PolarHBondContact O-N 2.85Å; G171-D204 CarbonylContact C-O 3.41Å; G171-D204 WeakPolarHBondContact CA-O 3.47Å
172	A	98.5	Very high	98.6	Very high	46 Å²	46	19.9 Å²	19.9	38%	0.38	12%	0.116	S	C	.	.	H	α-helix	trans	-58.6	-45	175.7	0	0	0	0	0	112.4	G168 L174 N175	G168-A172 PolarHBondContact O-N 3.17Å; A172-L174 PolarHBondContact O-N 3.34Å; A172-N175 PolarHBondContact O-N 2.85Å; A172-N175 VanDerWaalsContact O-N 3.11Å
173	K	98.6	Very high	98.6	Very high	96 Å²	96	19.9 Å²	19.9	42%	0.417	12%	0.116	S	C	.	.	H	α-helix	trans	-66.7	-22.5	178.1	-72.5	169.7	-176.6	-77.5	0	113.4	D136 T139 F169 V170 G171 N175	D136-K173 WeakPolarHBondContact OD1-CE 3.5Å; D136-K173 IonicContact OD1-NZ 3.83Å; D136-K173 PolarHBondContact OD1-NZ 2.81Å; T139-K173 HydrophobicContact CG2-CB 3.73Å; T139-K173 HydrophobicContact CG2-CD 4.38Å; T139-K173 WeakPolarHBondContact OG1-CD 3.44Å; F169-K173 WeakPolarHBondContact O-CB 3.42Å; F169-K173 WeakPolarHBondContact O-CD 3.13Å; F169-K173 VanDerWaalsContact O-CG 3.25Å; F169-K173 WeakPolarHBondContact O-CG 3.25Å; F169-K173 PolarHBondContact O-N 3.25Å; F169-K173 VanDerWaalsContact O-N 3.12Å; V170-K173 PolarHBondContact O-N 2.97Å; G171-K173 PolarHBondContact O-N 3.28Å; K173-N175 VanDerWaalsContact C-N 3.34Å
174	L	98.4	Very high	98.6	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.042	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	22.9	175.4	-63.7	173	0	0	0	112.3	T139 I142 N143 V170 G171 A172 S176 S177 I178	T139-L174 HydrophobicContact CG2-CD2 3.9Å; T139-L174 HydrophobicContact CG2-CG 4.14Å; I142-L174 HydrophobicContact CB-CD1 4.1Å; I142-L174 HydrophobicContact CD1-CD1 4.22Å; I142-L174 HydrophobicContact CG2-CD1 3.55Å; N143-L174 WeakPolarHBondContact OD1-CD2 3.5Å; V170-L174 HydrophobicContact CG1-CD1 3.84Å; V170-L174 WeakPolarHBondContact O-CG 3.33Å; V170-L174 PolarHBondContact O-N 3.46Å; V170-L174 VanDerWaalsContact O-N 3.09Å; G171-L174 CarbonylContact O-C 3.16Å; G171-L174 PolarHBondContact O-N 2.95Å; G171-L174 VanDerWaalsContact O-N 3.14Å; A172-L174 PolarHBondContact O-N 3.34Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.42Å; L174-S177 WeakPolarHBondContact O-CB 3.42Å; L174-S177 PolarHBondContact O-N 2.89Å; L174-S177 PolarHBondContact O-OG 2.82Å; L174-S177 VanDerWaalsContact O-OG 3.1Å; L174-I178 HydrophobicContact CB-CG1 4.42Å; L174-I178 HydrophobicContact CD1-CD1 3.6Å; L174-I178 HydrophobicContact CD1-CG1 3.91Å
175	N	97.3	Very high	98.6	Very high	136 Å²	136	19.9 Å²	19.9	73%	0.727	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	47.1	175.4	-55.6	-54.5	0	0	0	112.5	G171 A172 K173 S177	G171-N175 PolarHBondContact O-N 3.02Å; A172-N175 PolarHBondContact O-N 2.85Å; A172-N175 VanDerWaalsContact O-N 3.11Å; K173-N175 VanDerWaalsContact C-N 3.34Å; N175-S177 PolarHBondContact O-N 2.89Å; N175-S177 PolarHBondContact O-OG 2.97Å
176	S	96.2	Very high	98.5	Very high	52 Å²	52	19.9 Å²	19.9	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.5	176.6	-42.6	0	0	0	0	114.8	G171 L174 I178 T203 Q206	G171-S176 PolarHBondContact O-N 2.85Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 3.42Å; S176-I178 VanDerWaalsContact C-N 3.31Å; S176-I178 PolarHBondContact O-N 3.16Å; S176-T203 WeakPolarHBondContact CB-O 3.25Å; S176-T203 PolarHBondContact OG-O 2.97Å; S176-Q206 PolarHBondContact O-N 3.44Å
177	S	98.2	Very high	98.5	Very high	47 Å²	47	20 Å²	20	33%	0.329	12%	0.116	S	C	.	.			trans	-81	-11.4	-172.4	-62.5	0	0	0	0	113.7	L152 L174 N175	L152-S177 CarbonylContact C-O 3.5Å; L152-S177 WeakPolarHBondContact CB-O 3.49Å; L174-S177 WeakPolarHBondContact O-CB 3.42Å; L174-S177 PolarHBondContact O-N 2.89Å; L174-S177 PolarHBondContact O-OG 2.82Å; L174-S177 VanDerWaalsContact O-OG 3.1Å; N175-S177 PolarHBondContact O-N 2.89Å; N175-S177 PolarHBondContact O-OG 2.97Å
178	I	98.6	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.			trans	-61.7	134.8	174.5	-67.6	-61.4	0	0	0	110.1	I142 I155 L157 L174 S176 I181 A205 Q206	I142-I178 HydrophobicContact CG2-CD1 4.45Å; I155-I178 HydrophobicContact CB-CD1 4Å; I155-I178 HydrophobicContact CD1-CD1 4.22Å; I155-I178 HydrophobicContact CG2-CD1 3.88Å; L157-I178 HydrophobicContact CD1-CG1 4.43Å; L157-I178 HydrophobicContact CD1-CG2 4.2Å; L157-I178 HydrophobicContact CG-CG2 4.09Å; L174-I178 HydrophobicContact CB-CG1 4.42Å; L174-I178 HydrophobicContact CD1-CD1 3.6Å; L174-I178 HydrophobicContact CD1-CG1 3.91Å; S176-I178 VanDerWaalsContact C-N 3.31Å; S176-I178 PolarHBondContact O-N 3.16Å; I178-I181 HydrophobicContact CG2-CG1 4.29Å; I178-A205 HydrophobicContact CB-CB 4.18Å; I178-A205 HydrophobicContact CG2-CB 4.16Å; I178-A205 WeakPolarHBondContact O-CB 3.41Å; I178-Q206 WeakPolarHBondContact O-CG 3.5Å; I178-Q206 PolarHBondContact O-N 2.7Å
179	G	98.6	Very high	98.3	Very high	6 Å²	6	22.6 Å²	22.6	6%	0.062	13%	0.134	C	C	.	.	S	Bend	trans	-63.4	-46.9	-176.5	0	0	0	0	0	114	L152 S153 I155	L152-G179 PolarHBondContact O-N 3.25Å; S153-G179 WeakPolarHBondContact O-CA 3.49Å; I155-G179 PolarHBondContact O-N 3.46Å
180	R	98.8	Very high	98.1	Very high	15 Å²	15	24.4 Å²	24.4	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	141.5	-179.4	-176.9	178.5	176.6	-175.3	-7.5	112.6	I155 H156 L157 T182 F207 D209 G303 Y304	I155-R180 PolarHBondContact O-N 3.01Å; I155-R180 VanDerWaalsContact O-N 3.17Å; H156-R180 CarbonylContact C-O 3.54Å; H156-R180 WeakPolarHBondContact CA-O 3.49Å; H156-R180 HydrophobicContact CB-CB 4.45Å; H156-R180 PolarHBondContact CD2-O 3.4Å; L157-R180 PolarHBondContact N-O 2.83Å; R180-T182 PolarHBondContact NE-OG1 2.85Å; R180-T182 VanDerWaalsContact NE-OG1 3.08Å; R180-T182 PolarHBondContact NH2-OG1 3.34Å; R180-F207 CarbonylContact C-O 3.56Å; R180-F207 VanDerWaalsContact CA-O 3.27Å; R180-F207 WeakPolarHBondContact CA-O 3.48Å; R180-F207 HydrophobicContact CG-CD1 4.19Å; R180-D209 IonicContact CZ-OD1 2.85Å; R180-D209 IonicContact CZ-OD2 2.75Å; R180-D209 IonicContact NE-OD1 3.61Å; R180-D209 PolarHBondContact NE-OD1 2.86Å; R180-D209 IonicContact NE-OD2 3.3Å; R180-D209 VanDerWaalsContact NH2-CG 3.35Å; R180-D209 IonicContact NH2-OD1 2.74Å; R180-D209 PolarHBondContact NH2-OD1 3.1Å; R180-D209 IonicContact NH2-OD2 3.5Å; R180-D209 PolarHBondContact NH2-OD2 3Å; R180-G303 PolarHBondContact NH2-O 3.49Å; R180-Y304 PolarHBondContact NH1-O 3.39Å
181	I	98.9	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.7	161.2	-64.7	166.4	0	0	0	108.6	L157 S167 I178 L200 D204 A205 F207 V208 D209	L157-I181 HydrophobicContact CB-CG1 4.19Å; L157-I181 HydrophobicContact CD1-CG1 4.28Å; L157-I181 CarbonylContact O-C 3.59Å; L157-I181 VanDerWaalsContact O-CA 3.32Å; L157-I181 WeakPolarHBondContact O-CA 3.47Å; S167-I181 WeakPolarHBondContact O-CD1 3.4Å; I178-I181 HydrophobicContact CG2-CG1 4.29Å; I181-L200 HydrophobicContact CD1-CD1 4.25Å; I181-L200 HydrophobicContact CG2-CD1 3.94Å; I181-D204 HydrophobicContact CD1-CB 3.75Å; I181-A205 HydrophobicContact CB-CB 4.36Å; I181-A205 HydrophobicContact CD1-CB 3.73Å; I181-A205 HydrophobicContact CG1-CB 3.76Å; I181-F207 PolarHBondContact N-O 2.85Å; I181-V208 HydrophobicContact CB-CG1 4.38Å; I181-V208 HydrophobicContact CB-CG2 4.28Å; I181-V208 HydrophobicContact CG2-CG1 4.48Å; I181-V208 VanDerWaalsContact O-CA 3.31Å; I181-V208 WeakPolarHBondContact O-CA 3.4Å; I181-D209 PolarHBondContact O-N 3.06Å; I181-D209 VanDerWaalsContact O-OD1 3.12Å
182	T	98.9	Very high	97.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.4	166.2	-60.7	0	0	0	0	109.6	H156 L157 I158 G159 R180 L184 D209 F262	H156-T182 WeakPolarHBondContact NE2-CB 2.97Å; H156-T182 PolarHBondContact NE2-OG1 3.41Å; L157-T182 PolarHBondContact O-N 3.24Å; I158-T182 WeakPolarHBondContact CA-O 3.38Å; G159-T182 PolarHBondContact N-O 3.34Å; R180-T182 PolarHBondContact NE-OG1 2.85Å; R180-T182 VanDerWaalsContact NE-OG1 3.08Å; R180-T182 PolarHBondContact NH2-OG1 3.34Å; T182-L184 HydrophobicContact CG2-CD2 3.74Å; T182-L184 HydrophobicContact CG2-CG 4.27Å; T182-D209 CarbonylContact C-O 3.59Å; T182-D209 VanDerWaalsContact CA-O 3.3Å; T182-D209 WeakPolarHBondContact CA-O 3.34Å; T182-D209 WeakPolarHBondContact CG2-OD2 3.34Å; T182-D209 VanDerWaalsContact OG1-CG 3.29Å; T182-D209 PolarHBondContact OG1-OD1 3.16Å; T182-D209 PolarHBondContact OG1-OD2 3.4Å; T182-F262 HydrophobicContact CG2-CD2 3.92Å; T182-F262 HydrophobicContact CG2-CE2 3.66Å; T182-F262 HydrophobicContact CG2-CZ 4.3Å
183	A	98.9	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.6	-172.7	0	0	0	0	0	109.6	A164 D185 P186 L200 D209 A210 L211	A164-A183 HydrophobicContact CB-CB 3.96Å; A183-D185 PolarHBondContact O-N 3.06Å; A183-P186 HydrophobicContact CB-CG 3.64Å; A183-L200 HydrophobicContact CB-CD2 3.3Å; A183-D209 PolarHBondContact N-O 3.06Å; A183-A210 HydrophobicContact CB-CB 4Å; A183-A210 CarbonylContact O-C 3.56Å; A183-A210 WeakPolarHBondContact O-CA 3.11Å; A183-L211 PolarHBondContact O-N 3.34Å
184	L	98.9	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	100.2	-177.2	-57.2	-177.2	0	0	0	109.3	F98 I158 G159 V160 S161 T182 L211 V259 F262	F98-L184 HydrophobicContact CE1-CD1 4.28Å; F98-L184 HydrophobicContact CZ-CD1 4.4Å; I158-L184 HydrophobicContact CG2-CD1 3.65Å; I158-L184 HydrophobicContact CG2-CG 4.12Å; G159-L184 PolarHBondContact O-N 3.11Å; V160-L184 WeakPolarHBondContact CA-O 3.39Å; V160-L184 HydrophobicContact CG2-CB 4.19Å; V160-L184 HydrophobicContact CG2-CD1 4.15Å; S161-L184 PolarHBondContact N-O 3.14Å; T182-L184 HydrophobicContact CG2-CD2 3.74Å; T182-L184 HydrophobicContact CG2-CG 4.27Å; L184-L211 HydrophobicContact CD2-CB 4.3Å; L184-L211 HydrophobicContact CD2-CD2 4.22Å; L184-V259 HydrophobicContact CD1-CG2 4.4Å; L184-F262 HydrophobicContact CD1-CB 4Å; L184-F262 HydrophobicContact CD1-CD1 4.4Å; L184-F262 HydrophobicContact CD1-CG 4.21Å; L184-F262 HydrophobicContact CD2-CB 3.68Å; L184-F262 HydrophobicContact CD2-CD2 3.99Å; L184-F262 HydrophobicContact CD2-CG 3.92Å
185	D	98.7	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	46.4	70.2	-175.7	-153.6	37.6	0	0	0	112.9	S161 A183 L211 T213 D214 H255	S161-D185 VanDerWaalsContact CA-O 3.32Å; S161-D185 WeakPolarHBondContact CA-O 3.41Å; S161-D185 PolarHBondContact N-O 3.14Å; A183-D185 PolarHBondContact O-N 3.06Å; D185-L211 WeakPolarHBondContact CA-O 3.46Å; D185-L211 PolarHBondContact N-O 3.49Å; D185-T213 WeakPolarHBondContact CB-OG1 3.35Å; D185-T213 VanDerWaalsContact CG-OG1 3.23Å; D185-T213 PolarHBondContact OD1-N 3.48Å; D185-T213 PolarHBondContact OD2-OG1 2.61Å; D185-D214 PolarHBondContact OD1-N 2.85Å; D185-D214 WeakPolarHBondContact OD2-CB 3.48Å; D185-D214 PolarHBondContact OD2-N 2.85Å; D185-H255 PolarHBondContact O-CE1 2.79Å; D185-H255 WeakPolarHBondContact OD2-CA 3.42Å; D185-H255 IonicContact OD2-CE1 3.84Å; D185-H255 IonicContact OD2-CG 3.25Å; D185-H255 IonicContact OD2-ND1 2.8Å; D185-H255 PolarHBondContact OD2-ND1 3.14Å
186	P	98.8	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.			trans	-55.2	142.5	-178.1	-25	37.8	0	0	0	111.1	A164 A183 G188 L200 G219 F220 L224	A164-P186 HydrophobicContact CB-CB 3.73Å; A164-P186 HydrophobicContact CB-CG 3.8Å; A183-P186 HydrophobicContact CB-CG 3.64Å; P186-G188 PolarHBondContact O-N 2.77Å; P186-L200 HydrophobicContact CG-CD2 4.37Å; P186-G219 CarbonylContact O-C 3.56Å; P186-G219 WeakPolarHBondContact O-CA 3.38Å; P186-F220 HydrophobicContact CB-CB 4.19Å; P186-F220 WeakPolarHBondContact O-CB 3.32Å; P186-F220 PolarHBondContact O-N 2.91Å; P186-L224 HydrophobicContact CB-CD1 3.6Å; P186-L224 HydrophobicContact CG-CD1 3.71Å
187	A	98.3	Very high	97.1	Very high	2 Å²	2	35 Å²	35	2%	0.017	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-69.9	123.4	-175.8	0	0	0	0	0	112	S161 L162 H165 F191 L218	S161-A187 PolarHBondContact O-N 3.46Å; L162-A187 HydrophobicContact CD2-CB 3.89Å; L162-A187 HydrophobicContact CG-CB 4.29Å; H165-A187 PolarHBondContact NE2-O 3.3Å; A187-F191 WeakPolarHBondContact O-CD2 3.32Å; A187-L218 CarbonylContact C-O 3.35Å; A187-L218 WeakPolarHBondContact CA-O 3.5Å
188	G	97.3	Very high	97	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.197	C	C	.	.			trans	-72.6	-51.6	175.1	0	0	0	0	0	114	P186 T190 F191 T192 L218	P186-G188 PolarHBondContact O-N 2.77Å; G188-T190 PolarHBondContact O-N 2.85Å; G188-F191 PolarHBondContact O-N 3.21Å; G188-T192 PolarHBondContact O-N 2.69Å; G188-T192 PolarHBondContact O-OG1 2.79Å; G188-L218 PolarHBondContact N-O 3.11Å
189	P	95.3	Very high	97	Very high	53 Å²	53	38 Å²	38	34%	0.344	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	130.7	-175.6	-27.8	35.2	0	0	0	112.1	Y124 F191 L218	Y124-P189 HydrophobicContact CE1-CB 3.79Å; Y124-P189 WeakPolarHBondContact CE1-O 3.41Å; Y124-P189 PolarHBondContact OH-O 2.85Å; P189-F191 WeakPolarHBondContact O-CD2 3.36Å; P189-F191 PolarHBondContact O-N 3.08Å; P189-L218 WeakPolarHBondContact CD-O 3.38Å
190	T	94.8	Very high	97	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.288	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-8.7	-174.1	70.4	0	0	0	0	117.2	Y124 F125 V128 G188 K194	Y124-T190 HydrophobicContact CD1-CG2 4.19Å; Y124-T190 HydrophobicContact CE1-CG2 3.82Å; F125-T190 HydrophobicContact CD1-CG2 3.65Å; F125-T190 HydrophobicContact CE1-CG2 3.48Å; F125-T190 VanDerWaalsContact CE1-CG2 3.48Å; V128-T190 HydrophobicContact CG2-CG2 4.47Å; V128-T190 WeakPolarHBondContact CG2-OG1 3.46Å; G188-T190 PolarHBondContact O-N 2.85Å; T190-K194 WeakPolarHBondContact O-CE 3.42Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å
191	F	96.8	Very high	96.9	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-30.2	179.1	-65.8	-83.3	0	0	0	113.8	V128 L162 H165 F169 A187 G188 P189 D193 K194 Q198 R199 F220	V128-F191 HydrophobicContact CG1-CE2 4.15Å; V128-F191 HydrophobicContact CG1-CZ 3.89Å; V128-F191 HydrophobicContact CG2-CE2 4.25Å; L162-F191 HydrophobicContact CD2-CD2 4.44Å; L162-F191 HydrophobicContact CD2-CE2 3.45Å; L162-F191 VanDerWaalsContact CD2-CE2 3.45Å; L162-F191 HydrophobicContact CD2-CZ 4.05Å; H165-F191 HydrophobicContact CB-CD1 4.32Å; H165-F191 HydrophobicContact CB-CE1 3.76Å; H165-F191 HydrophobicContact CB-CZ 3.97Å; H165-F191 AromaticContact CD2-CD1 3.55Å; H165-F191 AromaticContact CD2-CD2 3.35Å; H165-F191 WeakPolarHBondContact CD2-CD2 3.47Å; H165-F191 AromaticContact CD2-CE1 3.62Å; H165-F191 AromaticContact CD2-CE2 3.45Å; H165-F191 VanDerWaalsContact CD2-CE2 3.45Å; H165-F191 WeakPolarHBondContact CD2-CE2 3.1Å; H165-F191 AromaticContact CD2-CG 3.42Å; H165-F191 VanDerWaalsContact CD2-CG 3.42Å; H165-F191 WeakPolarHBondContact CD2-CG 3.33Å; H165-F191 AromaticContact CD2-CZ 3.57Å; H165-F191 AromaticContact CE1-CG 3.97Å; H165-F191 AromaticContact CG-CD1 3.69Å; H165-F191 AromaticContact CG-CE1 3.61Å; H165-F191 AromaticContact CG-CZ 3.91Å; H165-F191 AromaticContact NE2-CD1 3.85Å; H165-F191 AromaticContact NE2-CD2 3.57Å; H165-F191 AromaticContact NE2-CG 3.4Å; H165-F191 WeakPolarHBondContact NE2-CG 3.2Å; F169-F191 HydrophobicContact CE2-CE1 4.46Å; F169-F191 AromaticContact CZ-CE1 4Å; F169-F191 HydrophobicContact CZ-CE1 4Å; A187-F191 WeakPolarHBondContact O-CD2 3.32Å; G188-F191 PolarHBondContact O-N 3.21Å; P189-F191 WeakPolarHBondContact O-CD2 3.36Å; P189-F191 PolarHBondContact O-N 3.08Å; F191-D193 VanDerWaalsContact C-N 3.25Å; F191-D193 PolarHBondContact O-N 2.57Å; F191-D193 VanDerWaalsContact O-N 3.07Å; F191-K194 WeakPolarHBondContact O-CB 3.49Å; F191-K194 PolarHBondContact O-N 3.04Å; F191-Q198 WeakPolarHBondContact CD1-O 3.4Å; F191-R199 HydrophobicContact CB-CB 4.41Å; F191-R199 HydrophobicContact CD1-CB 3.97Å; F191-F220 HydrophobicContact CB-CD2 4.02Å; F191-F220 HydrophobicContact CB-CE2 4.08Å; F191-F220 WeakPolarHBondContact O-CE2 3.4Å
192	T	92.8	Very high	96.9	Very high	72 Å²	72	39.9 Å²	39.9	44%	0.442	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-42.6	-173.5	-59.2	0	0	0	0	114.5	G188	G188-T192 PolarHBondContact O-N 2.69Å; G188-T192 PolarHBondContact O-OG1 2.79Å
193	D	91.2	Very high	96.8	Very high	158 Å²	158	44 Å²	44	85%	0.845	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	11.8	-177.2	-55.6	-52.3	0	0	0	113.1	F191	F191-D193 VanDerWaalsContact C-N 3.25Å; F191-D193 PolarHBondContact O-N 2.57Å; F191-D193 VanDerWaalsContact O-N 3.07Å
194	K	95.9	Very high	96.8	Very high	81 Å²	81	44.3 Å²	44.3	35%	0.352	24%	0.242	S	C	.	.			trans	-85.6	142.7	-178.5	-65.1	-60	-163	161.7	0	111.7	T190 F191 Q198 R199	T190-K194 WeakPolarHBondContact O-CE 3.42Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; F191-K194 WeakPolarHBondContact O-CB 3.49Å; F191-K194 PolarHBondContact O-N 3.04Å; K194-Q198 HydrophobicContact CB-CB 3.94Å; K194-Q198 HydrophobicContact CD-CB 4.31Å; K194-Q198 HydrophobicContact CG-CB 4.34Å; K194-R199 HydrophobicContact CB-CG 4.49Å; K194-R199 PolarHBondContact O-NE 2.87Å; K194-R199 VanDerWaalsContact O-NE 3.09Å
195	P	96.8	Very high	96.8	Very high	55 Å²	55	44.5 Å²	44.5	36%	0.357	24%	0.244	S	C	.	.			trans	-68.6	160.7	173.1	36	-39.5	0	0	0	110.1	E197 Q198	P195-E197 VanDerWaalsContact CB-OE2 3.31Å; P195-E197 WeakPolarHBondContact CB-OE2 3.24Å; P195-E197 PolarHBondContact O-N 3.47Å; P195-Q198 HydrophobicContact CG-CB 4.37Å; P195-Q198 HydrophobicContact CG-CG 4.38Å; P195-Q198 PolarHBondContact O-N 2.79Å
196	P	96.3	Very high	96.8	Very high	48 Å²	48	48.1 Å²	48.1	31%	0.312	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-44.9	-39.2	-177.7	-32.2	37.6	0	0	0	114.9	Q198 R199 D201	P196-Q198 PolarHBondContact O-N 3.1Å; P196-Q198 VanDerWaalsContact O-N 3.12Å; P196-R199 PolarHBondContact O-N 3.3Å; P196-D201 HydrophobicContact CB-CB 4.13Å
197	E	95.7	Very high	96.8	Very high	147 Å²	147	48.1 Å²	48.1	69%	0.687	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-69.8	-11.1	-176.6	-49.9	77.9	-170.4	0	0	113.8	P195	P195-E197 VanDerWaalsContact CB-OE2 3.31Å; P195-E197 WeakPolarHBondContact CB-OE2 3.24Å; P195-E197 PolarHBondContact O-N 3.47Å
198	Q	97	Very high	96.8	Very high	73 Å²	73	48 Å²	48	34%	0.341	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-117.7	14.4	-178.5	-71.2	-178.8	38.9	0	0	112.9	F169 F191 K194 P195 P196	F169-Q198 VanDerWaalsContact CE1-C 3.49Å; F191-Q198 WeakPolarHBondContact CD1-O 3.4Å; K194-Q198 HydrophobicContact CB-CB 3.94Å; K194-Q198 HydrophobicContact CD-CB 4.31Å; K194-Q198 HydrophobicContact CG-CB 4.34Å; P195-Q198 HydrophobicContact CG-CB 4.37Å; P195-Q198 HydrophobicContact CG-CG 4.38Å; P195-Q198 PolarHBondContact O-N 2.79Å; P196-Q198 PolarHBondContact O-N 3.1Å; P196-Q198 VanDerWaalsContact O-N 3.12Å
199	R	98.1	Very high	96.9	Very high	37 Å²	37	48 Å²	48	14%	0.14	26%	0.259	C	S	.	.	S	Bend	trans	-149.6	-173.1	173.9	56.4	164.5	174	74.6	-0.4	110.1	F191 K194 P196 D201	F191-R199 HydrophobicContact CB-CB 4.41Å; F191-R199 HydrophobicContact CD1-CB 3.97Å; K194-R199 HydrophobicContact CB-CG 4.49Å; K194-R199 PolarHBondContact O-NE 2.87Å; K194-R199 VanDerWaalsContact O-NE 3.09Å; P196-R199 PolarHBondContact O-N 3.3Å; R199-D201 IonicContact NH1-OD2 3.58Å; R199-D201 PolarHBondContact NH1-OD2 3.3Å; R199-D201 IonicContact NH2-OD2 3.1Å
200	L	98.7	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.			trans	-70.7	143.9	167.6	175.4	68.2	0	0	0	108.6	A164 H165 I181 A183 P186 D204 V208 L224	A164-L200 HydrophobicContact CB-CD2 4.4Å; H165-L200 PolarHBondContact ND1-N 3.21Å; I181-L200 HydrophobicContact CD1-CD1 4.25Å; I181-L200 HydrophobicContact CG2-CD1 3.94Å; A183-L200 HydrophobicContact CB-CD2 3.3Å; P186-L200 HydrophobicContact CG-CD2 4.37Å; L200-D204 WeakPolarHBondContact CA-OD2 3.43Å; L200-D204 HydrophobicContact CD1-CB 4.47Å; L200-V208 HydrophobicContact CD1-CG1 4.19Å; L200-V208 HydrophobicContact CD2-CG1 4.3Å; L200-V208 HydrophobicContact CG-CG1 4.43Å; L200-L224 HydrophobicContact CD2-CB 4.17Å; L200-L224 HydrophobicContact CD2-CD1 4.41Å; L200-L224 HydrophobicContact CG-CB 4.43Å; L200-L224 VanDerWaalsContact O-CD2 3.29Å; L200-L224 WeakPolarHBondContact O-CD2 3.47Å
201	D	97.9	Very high	97.2	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.123	23%	0.23	C	C	.	.			trans	-146.3	154	177.2	-169.7	-99	0	0	0	111	P196 R199 T203 D204 L224	P196-D201 HydrophobicContact CB-CB 4.13Å; R199-D201 IonicContact NH1-OD2 3.58Å; R199-D201 PolarHBondContact NH1-OD2 3.3Å; R199-D201 IonicContact NH2-OD2 3.1Å; D201-T203 PolarHBondContact O-N 3.41Å; D201-T203 VanDerWaalsContact O-N 3.09Å; D201-T203 WeakPolarHBondContact OD1-CB 3.26Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.46Å; D201-T203 PolarHBondContact OD1-N 3.42Å; D201-T203 PolarHBondContact OD1-OG1 2.78Å; D201-D204 PolarHBondContact N-OD2 3.44Å; D201-D204 WeakPolarHBondContact O-CB 3.26Å; D201-D204 PolarHBondContact O-N 3.13Å; D201-L224 CarbonylContact C-O 3.28Å
202	P	97.6	Very high	97.3	Very high	36 Å²	36	43.3 Å²	43.3	23%	0.234	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.2	177	-24.6	34.4	0	0	0	112.9	D204 V208 L224 G225 H226	P202-D204 PolarHBondContact O-N 3.47Å; P202-V208 WeakPolarHBondContact O-CG2 3.49Å; P202-L224 WeakPolarHBondContact CD-O 3.33Å; P202-G225 WeakPolarHBondContact CG-O 3.39Å; P202-H226 PolarHBondContact O-CE1 2.99Å
203	T	97.7	Very high	97.6	Very high	89 Å²	89	39.9 Å²	39.9	55%	0.546	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-72.3	-8.6	179	59.8	0	0	0	0	114.3	S176 D201 A205	S176-T203 WeakPolarHBondContact CB-O 3.25Å; S176-T203 PolarHBondContact OG-O 2.97Å; D201-T203 PolarHBondContact O-N 3.41Å; D201-T203 VanDerWaalsContact O-N 3.09Å; D201-T203 WeakPolarHBondContact OD1-CB 3.26Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.46Å; D201-T203 PolarHBondContact OD1-N 3.42Å; D201-T203 PolarHBondContact OD1-OG1 2.78Å; T203-A205 VanDerWaalsContact C-N 3.27Å; T203-A205 PolarHBondContact O-N 3.24Å
204	D	98.8	Very high	97.9	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-74.4	-14.9	-175.5	-65.4	-27.7	0	0	0	113.7	G168 G171 I181 L200 D201 P202	G168-D204 WeakPolarHBondContact CA-OD2 3.19Å; G168-D204 VanDerWaalsContact O-CG 3.29Å; G171-D204 CarbonylContact C-O 3.41Å; G171-D204 WeakPolarHBondContact CA-O 3.47Å; I181-D204 HydrophobicContact CD1-CB 3.75Å; L200-D204 WeakPolarHBondContact CA-OD2 3.43Å; L200-D204 HydrophobicContact CD1-CB 4.47Å; D201-D204 PolarHBondContact N-OD2 3.44Å; D201-D204 WeakPolarHBondContact O-CB 3.26Å; D201-D204 PolarHBondContact O-N 3.13Å; P202-D204 PolarHBondContact O-N 3.47Å
205	A	98.7	Very high	97.9	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	16%	0.157	C	C	.	.	S	Bend	trans	-150.8	169	177	0	0	0	0	0	111.5	I178 I181 T203 F207 V208	I178-A205 HydrophobicContact CB-CB 4.18Å; I178-A205 HydrophobicContact CG2-CB 4.16Å; I178-A205 WeakPolarHBondContact O-CB 3.41Å; I181-A205 HydrophobicContact CB-CB 4.36Å; I181-A205 HydrophobicContact CD1-CB 3.73Å; I181-A205 HydrophobicContact CG1-CB 3.76Å; T203-A205 VanDerWaalsContact C-N 3.27Å; T203-A205 PolarHBondContact O-N 3.24Å; A205-F207 PolarHBondContact O-N 2.89Å; A205-F207 VanDerWaalsContact O-N 3.15Å; A205-V208 HydrophobicContact CB-CG2 3.97Å
206	Q	98.4	Very high	97.7	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	16%	0.159	S	C	.	.	S	Bend	trans	-62	-21.9	173.9	-58.9	-177.6	0.7	0	0	113.2	S176 I178 K310 N314	S176-Q206 PolarHBondContact O-N 3.44Å; I178-Q206 WeakPolarHBondContact O-CG 3.5Å; I178-Q206 PolarHBondContact O-N 2.7Å; Q206-K310 WeakPolarHBondContact O-CE 2.79Å; Q206-N314 PolarHBondContact O-ND2 3.14Å
207	F	98.6	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.			trans	-155.3	134.8	173	-173.3	-114.5	0	0	0	110.2	R180 I181 A205 D209 H226 I227 V306 I307 K310 L313	R180-F207 CarbonylContact C-O 3.56Å; R180-F207 VanDerWaalsContact CA-O 3.27Å; R180-F207 WeakPolarHBondContact CA-O 3.48Å; R180-F207 HydrophobicContact CG-CD1 4.19Å; I181-F207 PolarHBondContact N-O 2.85Å; A205-F207 PolarHBondContact O-N 2.89Å; A205-F207 VanDerWaalsContact O-N 3.15Å; F207-D209 HydrophobicContact CE1-CB 4.04Å; F207-D209 HydrophobicContact CZ-CB 4.4Å; F207-H226 HydrophobicContact CD2-CB 3.96Å; F207-H226 HydrophobicContact CE2-CB 3.87Å; F207-I227 HydrophobicContact CE2-CG2 4.31Å; F207-I227 HydrophobicContact CZ-CG2 3.73Å; F207-V306 HydrophobicContact CE1-CG1 3.98Å; F207-V306 HydrophobicContact CZ-CG1 4.48Å; F207-I307 HydrophobicContact CB-CD1 4.12Å; F207-I307 HydrophobicContact CD1-CD1 3.58Å; F207-I307 HydrophobicContact CE1-CD1 4.27Å; F207-I307 HydrophobicContact CG-CD1 4.05Å; F207-K310 HydrophobicContact CB-CD 3.99Å; F207-K310 HydrophobicContact CB-CG 4.02Å; F207-K310 HydrophobicContact CD2-CB 4.12Å; F207-K310 HydrophobicContact CD2-CG 3.9Å; F207-K310 HydrophobicContact CE2-CB 4.43Å; F207-K310 HydrophobicContact CG-CB 4.29Å; F207-K310 HydrophobicContact CG-CD 4.43Å; F207-K310 HydrophobicContact CG-CG 4.04Å; F207-L313 HydrophobicContact CE2-CB 4.07Å; F207-L313 HydrophobicContact CE2-CD1 3.94Å; F207-L313 HydrophobicContact CZ-CD1 3.83Å
208	V	98.8	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.3	-177.8	-177.4	0	0	0	0	107.7	I181 L200 P202 A205 G225 H226 I227	I181-V208 HydrophobicContact CB-CG1 4.38Å; I181-V208 HydrophobicContact CB-CG2 4.28Å; I181-V208 HydrophobicContact CG2-CG1 4.48Å; I181-V208 VanDerWaalsContact O-CA 3.31Å; I181-V208 WeakPolarHBondContact O-CA 3.4Å; L200-V208 HydrophobicContact CD1-CG1 4.19Å; L200-V208 HydrophobicContact CD2-CG1 4.3Å; L200-V208 HydrophobicContact CG-CG1 4.43Å; P202-V208 WeakPolarHBondContact O-CG2 3.49Å; A205-V208 HydrophobicContact CB-CG2 3.97Å; V208-G225 CarbonylContact O-C 3.59Å; V208-G225 WeakPolarHBondContact O-CA 3.35Å; V208-H226 PolarHBondContact N-ND1 3.15Å; V208-H226 PolarHBondContact O-N 2.9Å; V208-I227 PolarHBondContact O-N 3.2Å
209	D	98.8	Very high	97.5	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	174.4	62.3	-62.7	0	0	0	110.5	R180 I181 T182 A183 F207 I227 V306	R180-D209 IonicContact CZ-OD1 2.85Å; R180-D209 IonicContact CZ-OD2 2.75Å; R180-D209 IonicContact NE-OD1 3.61Å; R180-D209 PolarHBondContact NE-OD1 2.86Å; R180-D209 IonicContact NE-OD2 3.3Å; R180-D209 VanDerWaalsContact NH2-CG 3.35Å; R180-D209 IonicContact NH2-OD1 2.74Å; R180-D209 PolarHBondContact NH2-OD1 3.1Å; R180-D209 IonicContact NH2-OD2 3.5Å; R180-D209 PolarHBondContact NH2-OD2 3Å; I181-D209 PolarHBondContact O-N 3.06Å; I181-D209 VanDerWaalsContact O-OD1 3.12Å; T182-D209 CarbonylContact C-O 3.59Å; T182-D209 VanDerWaalsContact CA-O 3.3Å; T182-D209 WeakPolarHBondContact CA-O 3.34Å; T182-D209 WeakPolarHBondContact CG2-OD2 3.34Å; T182-D209 VanDerWaalsContact OG1-CG 3.29Å; T182-D209 PolarHBondContact OG1-OD1 3.16Å; T182-D209 PolarHBondContact OG1-OD2 3.4Å; A183-D209 PolarHBondContact N-O 3.06Å; F207-D209 HydrophobicContact CE1-CB 4.04Å; F207-D209 HydrophobicContact CZ-CB 4.4Å; D209-I227 WeakPolarHBondContact CA-O 3.46Å; D209-I227 HydrophobicContact CB-CG2 3.6Å; D209-V306 HydrophobicContact CB-CG1 4.06Å
210	A	98.7	Very high	97.4	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.7	-177.3	0	0	0	0	0	111.5	A183 L224 I227 D228 F229	A183-A210 HydrophobicContact CB-CB 4Å; A183-A210 CarbonylContact O-C 3.56Å; A183-A210 WeakPolarHBondContact O-CA 3.11Å; A210-L224 HydrophobicContact CB-CB 4.48Å; A210-I227 PolarHBondContact N-O 3.45Å; A210-D228 WeakPolarHBondContact CB-OD1 3.49Å; A210-D228 CarbonylContact O-C 3.57Å; A210-D228 WeakPolarHBondContact O-CA 3.3Å; A210-F229 WeakPolarHBondContact O-CD2 3.46Å; A210-F229 PolarHBondContact O-N 3.16Å
211	L	98.8	Very high	97.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.4	176.1	-179.8	67.6	0	0	0	109.2	A183 L184 D185 T213 F229 P231 S258 L261 F302	A183-L211 PolarHBondContact O-N 3.34Å; L184-L211 HydrophobicContact CD2-CB 4.3Å; L184-L211 HydrophobicContact CD2-CD2 4.22Å; D185-L211 WeakPolarHBondContact CA-O 3.46Å; D185-L211 PolarHBondContact N-O 3.49Å; L211-T213 HydrophobicContact CD2-CG2 4.4Å; L211-T213 HydrophobicContact CG-CG2 4.18Å; L211-F229 HydrophobicContact CD1-CB 3.65Å; L211-P231 VanDerWaalsContact CD1-CD 3.46Å; L211-P231 HydrophobicContact CD1-CG 3.7Å; L211-S258 WeakPolarHBondContact CD2-O 3.41Å; L211-L261 HydrophobicContact CD2-CB 4.17Å; L211-L261 HydrophobicContact CD2-CD1 4.48Å; L211-F302 HydrophobicContact CB-CE2 4.14Å; L211-F302 HydrophobicContact CD1-CD2 3.98Å; L211-F302 HydrophobicContact CD1-CE2 3.53Å; L211-F302 HydrophobicContact CD1-CZ 3.94Å; L211-F302 HydrophobicContact CD2-CE2 3.62Å; L211-F302 HydrophobicContact CD2-CZ 3.45Å; L211-F302 VanDerWaalsContact CD2-CZ 3.45Å; L211-F302 HydrophobicContact CG-CE2 3.97Å; L211-F302 HydrophobicContact CG-CZ 4.25Å
212	H	98.7	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.			trans	-115.5	115.5	-173.9	-64.3	-83.4	0	0	0	109.5	I215 F220 D228 F229 Y230 P231 G234	H212-I215 HydrophobicContact CB-CG2 3.63Å; H212-F220 PolarHBondContact CE1-O 2.91Å; H212-F220 VanDerWaalsContact CE1-O 3.3Å; H212-F220 PolarHBondContact ND1-O 3.08Å; H212-D228 IonicContact CD2-OD1 3.76Å; H212-D228 IonicContact CE1-OD1 3.91Å; H212-D228 IonicContact NE2-OD1 3.79Å; H212-D228 PolarHBondContact NE2-OD1 3.35Å; H212-F229 WeakPolarHBondContact CB-O 3.44Å; H212-F229 PolarHBondContact N-O 3.41Å; H212-Y230 HydrophobicContact CB-CD1 3.56Å; H212-Y230 HydrophobicContact CB-CE1 3.61Å; H212-Y230 HydrophobicContact CB-CG 4.28Å; H212-Y230 AromaticContact CD2-CE1 3.68Å; H212-Y230 AromaticContact CD2-CE2 3.95Å; H212-Y230 AromaticContact CD2-CZ 3.55Å; H212-Y230 AromaticContact CG-CE1 3.55Å; H212-Y230 AromaticContact CG-CZ 3.9Å; H212-Y230 AromaticContact NE2-CZ 3.94Å; H212-P231 VanDerWaalsContact O-CD 3.3Å; H212-P231 WeakPolarHBondContact O-CD 3.37Å; H212-G234 WeakPolarHBondContact O-CA 3.28Å
213	T	98.4	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-128.8	-7.7	-174.9	50.5	0	0	0	0	114.5	D185 L211 P231 G234 Q237 D254 R257 S258 L261	D185-T213 WeakPolarHBondContact CB-OG1 3.35Å; D185-T213 VanDerWaalsContact CG-OG1 3.23Å; D185-T213 PolarHBondContact OD1-N 3.48Å; D185-T213 PolarHBondContact OD2-OG1 2.61Å; L211-T213 HydrophobicContact CD2-CG2 4.4Å; L211-T213 HydrophobicContact CG-CG2 4.18Å; T213-P231 HydrophobicContact CG2-CG 3.63Å; T213-G234 CarbonylContact C-O 3.59Å; T213-Q237 HydrophobicContact CG2-CG 4.36Å; T213-Q237 WeakPolarHBondContact O-CG 3.33Å; T213-Q237 PolarHBondContact O-NE2 2.91Å; T213-D254 WeakPolarHBondContact CB-O 3.5Å; T213-D254 PolarHBondContact OG1-O 3.02Å; T213-R257 HydrophobicContact CG2-CB 4.47Å; T213-S258 WeakPolarHBondContact OG1-CB 3.41Å; T213-L261 HydrophobicContact CG2-CD1 4.08Å
214	D	96.7	Very high	97.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.147	C	C	.	.			trans	-144.3	41.8	179.9	-169.1	34	0	0	0	112.4	D185 D216 F217 L218 G219 G234 D254 H255	D185-D214 PolarHBondContact OD1-N 2.85Å; D185-D214 WeakPolarHBondContact OD2-CB 3.48Å; D185-D214 PolarHBondContact OD2-N 2.85Å; D214-D216 PolarHBondContact O-N 3.49Å; D214-D216 VanDerWaalsContact O-N 3.13Å; D214-F217 PolarHBondContact O-N 2.89Å; D214-L218 PolarHBondContact O-N 3.12Å; D214-L218 WeakPolarHBondContact OD2-CB 3.12Å; D214-L218 VanDerWaalsContact OD2-CG 3.3Å; D214-L218 WeakPolarHBondContact OD2-CG 3.16Å; D214-L218 PolarHBondContact OD2-N 2.89Å; D214-G219 WeakPolarHBondContact O-CA 3.31Å; D214-G219 PolarHBondContact O-N 3.34Å; D214-G234 PolarHBondContact N-O 3.46Å; D214-G234 VanDerWaalsContact N-O 3.16Å; D214-D254 HydrophobicContact CB-CB 4.1Å; D214-H255 HydrophobicContact CB-CB 4.18Å
215	I	96.2	Very high	97.2	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.108	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.1	-169.5	70.1	-174.9	0	0	0	115.4	H212 R221 Y230 G234 T235	H212-I215 HydrophobicContact CB-CG2 3.63Å; I215-R221 HydrophobicContact CB-CB 4.29Å; I215-R221 HydrophobicContact CB-CG 4.18Å; I215-R221 HydrophobicContact CD1-CG 4.17Å; I215-R221 HydrophobicContact CG1-CG 4.36Å; I215-Y230 HydrophobicContact CD1-CD1 4.14Å; I215-Y230 HydrophobicContact CD1-CE1 4.22Å; I215-Y230 HydrophobicContact CG2-CE1 4.37Å; I215-G234 WeakPolarHBondContact CG1-O 3.39Å; I215-G234 PolarHBondContact N-O 3.42Å; I215-T235 HydrophobicContact CD1-CG2 4.18Å; I215-T235 HydrophobicContact CG1-CG2 3.66Å
216	D	93.3	Very high	97.2	Very high	75 Å²	75	30.5 Å²	30.5	40%	0.401	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.2	175.1	59.1	-38.1	0	0	0	112.9	D214 T235	D214-D216 PolarHBondContact O-N 3.49Å; D214-D216 VanDerWaalsContact O-N 3.13Å; D216-T235 HydrophobicContact CB-CG2 3.9Å; D216-T235 WeakPolarHBondContact OD1-CA 3.22Å; D216-T235 WeakPolarHBondContact OD1-CB 3.28Å
217	F	92.4	Very high	97.2	Very high	103 Å²	103	27 Å²	27	45%	0.452	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-79	176.2	-162.9	-105.6	0	0	0	115.1	D214 F251	D214-F217 PolarHBondContact O-N 2.89Å; F217-F251 HydrophobicContact CB-CD1 3.81Å; F217-F251 HydrophobicContact CB-CE1 4.12Å; F217-F251 HydrophobicContact CD1-CB 3.52Å; F217-F251 AromaticContact CD1-CD1 3.16Å; F217-F251 HydrophobicContact CD1-CD1 3.16Å; F217-F251 AromaticContact CD1-CD2 3.97Å; F217-F251 HydrophobicContact CD1-CD2 3.97Å; F217-F251 AromaticContact CD1-CE1 3.76Å; F217-F251 HydrophobicContact CD1-CE1 3.76Å; F217-F251 HydrophobicContact CD1-CE2 4.48Å; F217-F251 AromaticContact CD1-CG 3.27Å; F217-F251 HydrophobicContact CD1-CG 3.27Å; F217-F251 HydrophobicContact CD1-CZ 4.38Å; F217-F251 AromaticContact CD2-CD1 3.87Å; F217-F251 HydrophobicContact CD2-CD1 3.87Å; F217-F251 AromaticContact CD2-CE1 3.56Å; F217-F251 HydrophobicContact CD2-CE1 3.56Å; F217-F251 HydrophobicContact CD2-CZ 4.01Å; F217-F251 HydrophobicContact CE1-CB 3.68Å; F217-F251 AromaticContact CE1-CD1 3.62Å; F217-F251 HydrophobicContact CE1-CD1 3.62Å; F217-F251 AromaticContact CE1-CD2 3.51Å; F217-F251 HydrophobicContact CE1-CD2 3.51Å; F217-F251 HydrophobicContact CE1-CE1 4.05Å; F217-F251 AromaticContact CE1-CE2 3.97Å; F217-F251 HydrophobicContact CE1-CE2 3.97Å; F217-F251 AromaticContact CE1-CG 3.3Å; F217-F251 HydrophobicContact CE1-CG 3.3Å; F217-F251 HydrophobicContact CE1-CZ 4.21Å; F217-F251 HydrophobicContact CE2-CD1 4.23Å; F217-F251 HydrophobicContact CE2-CD2 4.49Å; F217-F251 AromaticContact CE2-CE1 3.83Å; F217-F251 HydrophobicContact CE2-CE1 3.83Å; F217-F251 HydrophobicContact CE2-CE2 4.14Å; F217-F251 AromaticContact CE2-CZ 3.78Å; F217-F251 HydrophobicContact CE2-CZ 3.78Å; F217-F251 HydrophobicContact CG-CB 4.49Å; F217-F251 AromaticContact CG-CD1 3.33Å; F217-F251 HydrophobicContact CG-CD1 3.33Å; F217-F251 AromaticContact CG-CE1 3.54Å; F217-F251 HydrophobicContact CG-CE1 3.54Å; F217-F251 AromaticContact CG-CG 3.95Å; F217-F251 HydrophobicContact CG-CG 3.95Å; F217-F251 HydrophobicContact CG-CZ 4.31Å; F217-F251 HydrophobicContact CZ-CD1 4.13Å; F217-F251 AromaticContact CZ-CD2 3.81Å; F217-F251 HydrophobicContact CZ-CD2 3.81Å; F217-F251 HydrophobicContact CZ-CE1 4.07Å; F217-F251 AromaticContact CZ-CE2 3.78Å; F217-F251 HydrophobicContact CZ-CE2 3.78Å; F217-F251 AromaticContact CZ-CG 3.98Å; F217-F251 HydrophobicContact CZ-CG 3.98Å; F217-F251 AromaticContact CZ-CZ 3.9Å; F217-F251 HydrophobicContact CZ-CZ 3.9Å
218	L	94.3	Very high	97.2	Very high	55 Å²	55	27 Å²	27	29%	0.288	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-26.4	-177.4	-58.8	-179.2	0	0	0	114.3	A187 G188 P189 D214 H255	A187-L218 CarbonylContact C-O 3.35Å; A187-L218 WeakPolarHBondContact CA-O 3.5Å; G188-L218 PolarHBondContact N-O 3.11Å; P189-L218 WeakPolarHBondContact CD-O 3.38Å; D214-L218 PolarHBondContact O-N 3.12Å; D214-L218 WeakPolarHBondContact OD2-CB 3.12Å; D214-L218 VanDerWaalsContact OD2-CG 3.3Å; D214-L218 WeakPolarHBondContact OD2-CG 3.16Å; D214-L218 PolarHBondContact OD2-N 2.89Å; L218-H255 HydrophobicContact CD1-CB 3.91Å
219	G	96.9	Very high	97.2	Very high	6 Å²	6	27 Å²	27	6%	0.062	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-79.8	152.8	-173	0	0	0	0	0	113.8	P186 D214	P186-G219 CarbonylContact O-C 3.56Å; P186-G219 WeakPolarHBondContact O-CA 3.38Å; D214-G219 WeakPolarHBondContact O-CA 3.31Å; D214-G219 PolarHBondContact O-N 3.34Å
220	F	97.9	Very high	97.2	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	14%	0.138	C	C	.	.			trans	-78.8	128	175.3	-169	-76.5	0	0	0	110	P186 F191 H212 A222 L224	P186-F220 HydrophobicContact CB-CB 4.19Å; P186-F220 WeakPolarHBondContact O-CB 3.32Å; P186-F220 PolarHBondContact O-N 2.91Å; F191-F220 HydrophobicContact CB-CD2 4.02Å; F191-F220 HydrophobicContact CB-CE2 4.08Å; F191-F220 WeakPolarHBondContact O-CE2 3.4Å; H212-F220 PolarHBondContact CE1-O 2.91Å; H212-F220 VanDerWaalsContact CE1-O 3.3Å; H212-F220 PolarHBondContact ND1-O 3.08Å; F220-A222 HydrophobicContact CD1-CB 4.47Å; F220-A222 VanDerWaalsContact CD1-O 3.3Å; F220-A222 WeakPolarHBondContact CD1-O 3.3Å; F220-A222 HydrophobicContact CE1-CB 3.81Å; F220-L224 HydrophobicContact CB-CD1 3.81Å; F220-L224 HydrophobicContact CD1-CD1 3.57Å; F220-L224 HydrophobicContact CD1-CD2 3.79Å; F220-L224 HydrophobicContact CD1-CG 3.62Å; F220-L224 HydrophobicContact CD2-CD1 4.25Å; F220-L224 HydrophobicContact CD2-CD2 4.5Å; F220-L224 HydrophobicContact CE1-CD1 4.17Å; F220-L224 HydrophobicContact CE1-CD2 3.49Å; F220-L224 VanDerWaalsContact CE1-CD2 3.49Å; F220-L224 HydrophobicContact CE1-CG 3.8Å; F220-L224 HydrophobicContact CE2-CD2 4.2Å; F220-L224 HydrophobicContact CG-CD1 3.64Å; F220-L224 HydrophobicContact CG-CD2 4.31Å; F220-L224 HydrophobicContact CG-CG 4.2Å; F220-L224 HydrophobicContact CZ-CD2 3.74Å; F220-L224 HydrophobicContact CZ-CG 4.49Å
221	R	96.8	Very high	97.2	Very high	159 Å²	159	27.1 Å²	27.1	60%	0.6	14%	0.137	S	C	*	.			trans	-80.3	-41.1	-167.9	-166.3	179.2	-147.9	146	10	115.4	I215 Y230	I215-R221 HydrophobicContact CB-CB 4.29Å; I215-R221 HydrophobicContact CB-CG 4.18Å; I215-R221 HydrophobicContact CD1-CG 4.17Å; I215-R221 HydrophobicContact CG1-CG 4.36Å; R221-Y230 PolarHBondContact O-OH 3.26Å; R221-Y230 VanDerWaalsContact O-OH 3.1Å
222	A	96.9	Very high	97.1	Very high	51 Å²	51	27.8 Å²	27.8	42%	0.421	14%	0.141	S	C	.	.	S	Bend	trans	-82.9	161.1	-172.8	0	0	0	0	0	111.3	F220	F220-A222 HydrophobicContact CD1-CB 4.47Å; F220-A222 VanDerWaalsContact CD1-O 3.3Å; F220-A222 WeakPolarHBondContact CD1-O 3.3Å; F220-A222 HydrophobicContact CE1-CB 3.81Å
223	P	97.4	Very high	97	Very high	44 Å²	44	28.4 Å²	28.4	29%	0.286	15%	0.147	S	C	.	.			trans	-56.4	138	174.2	-27.5	37.6	0	0	0	112.4	D228 K320	P223-D228 VanDerWaalsContact CA-CG 3.47Å; P223-D228 VanDerWaalsContact CA-OD1 3.28Å; P223-D228 WeakPolarHBondContact CA-OD1 3.22Å; P223-D228 HydrophobicContact CB-CB 4.34Å; P223-D228 WeakPolarHBondContact CB-OD2 3.18Å; P223-K320 HydrophobicContact CG-CD 4.31Å; P223-K320 VanDerWaalsContact CG-CE 3.43Å; P223-K320 HydrophobicContact CG-CG 3.87Å
224	L	97.6	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.			trans	-126.1	-8.7	-179.8	-70	174.6	0	0	0	112.9	P186 L200 D201 P202 A210 F220 D228	P186-L224 HydrophobicContact CB-CD1 3.6Å; P186-L224 HydrophobicContact CG-CD1 3.71Å; L200-L224 HydrophobicContact CD2-CB 4.17Å; L200-L224 HydrophobicContact CD2-CD1 4.41Å; L200-L224 HydrophobicContact CG-CB 4.43Å; L200-L224 VanDerWaalsContact O-CD2 3.29Å; L200-L224 WeakPolarHBondContact O-CD2 3.47Å; D201-L224 CarbonylContact C-O 3.28Å; P202-L224 WeakPolarHBondContact CD-O 3.33Å; A210-L224 HydrophobicContact CB-CB 4.48Å; F220-L224 HydrophobicContact CB-CD1 3.81Å; F220-L224 HydrophobicContact CD1-CD1 3.57Å; F220-L224 HydrophobicContact CD1-CD2 3.79Å; F220-L224 HydrophobicContact CD1-CG 3.62Å; F220-L224 HydrophobicContact CD2-CD1 4.25Å; F220-L224 HydrophobicContact CD2-CD2 4.5Å; F220-L224 HydrophobicContact CE1-CD1 4.17Å; F220-L224 HydrophobicContact CE1-CD2 3.49Å; F220-L224 VanDerWaalsContact CE1-CD2 3.49Å; F220-L224 HydrophobicContact CE1-CG 3.8Å; F220-L224 HydrophobicContact CE2-CD2 4.2Å; F220-L224 HydrophobicContact CG-CD1 3.64Å; F220-L224 HydrophobicContact CG-CD2 4.31Å; F220-L224 HydrophobicContact CG-CG 4.2Å; F220-L224 HydrophobicContact CZ-CD2 3.74Å; F220-L224 HydrophobicContact CZ-CG 4.49Å; L224-D228 PolarHBondContact N-OD1 2.79Å; L224-D228 PolarHBondContact N-OD2 2.79Å
225	G	97.6	Very high	96.9	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-121.2	179.6	-174.9	0	0	0	0	0	114.2	P202 V208 D228	P202-G225 WeakPolarHBondContact CG-O 3.39Å; V208-G225 CarbonylContact O-C 3.59Å; V208-G225 WeakPolarHBondContact O-CA 3.35Å; G225-D228 PolarHBondContact N-OD1 3.45Å; G225-D228 PolarHBondContact N-OD2 3.45Å
226	H	98.1	Very high	96.7	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.181	17%	0.172	C	C	.	.	S	Bend	trans	-66.2	-28.3	161.8	-63.4	89.1	0	0	0	110.4	P202 F207 V208 N314	P202-H226 PolarHBondContact O-CE1 2.99Å; F207-H226 HydrophobicContact CD2-CB 3.96Å; F207-H226 HydrophobicContact CE2-CB 3.87Å; V208-H226 PolarHBondContact N-ND1 3.15Å; V208-H226 PolarHBondContact O-N 2.9Å; H226-N314 PolarHBondContact CD2-OD1 2.83Å
227	I	98.1	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.3	171.1	-176.6	160.4	0	0	0	110.5	F207 V208 D209 A210 F229 P300 V306 L313 F321	F207-I227 HydrophobicContact CE2-CG2 4.31Å; F207-I227 HydrophobicContact CZ-CG2 3.73Å; V208-I227 PolarHBondContact O-N 3.2Å; D209-I227 WeakPolarHBondContact CA-O 3.46Å; D209-I227 HydrophobicContact CB-CG2 3.6Å; A210-I227 PolarHBondContact N-O 3.45Å; I227-F229 HydrophobicContact CD1-CE1 3.73Å; I227-F229 HydrophobicContact CD1-CE2 3.95Å; I227-F229 HydrophobicContact CD1-CZ 3.34Å; I227-F229 HydrophobicContact CG1-CD2 4.34Å; I227-F229 HydrophobicContact CG1-CE1 4.16Å; I227-F229 HydrophobicContact CG1-CE2 3.82Å; I227-F229 HydrophobicContact CG1-CZ 3.72Å; I227-F229 HydrophobicContact CG2-CE2 3.96Å; I227-F229 HydrophobicContact CG2-CZ 4.39Å; I227-P300 HydrophobicContact CD1-CB 3.85Å; I227-P300 HydrophobicContact CD1-CG 4.16Å; I227-V306 HydrophobicContact CD1-CG2 4.36Å; I227-V306 HydrophobicContact CG2-CG2 4.31Å; I227-L313 HydrophobicContact CB-CD1 4Å; I227-L313 HydrophobicContact CB-CD2 4.37Å; I227-L313 HydrophobicContact CD1-CD1 3.75Å; I227-L313 HydrophobicContact CD1-CD2 3.91Å; I227-L313 HydrophobicContact CG1-CD1 4.48Å; I227-L313 HydrophobicContact CG2-CD1 3.99Å; I227-F321 HydrophobicContact CD1-CD1 4.29Å; I227-F321 HydrophobicContact CD1-CD2 3.58Å; I227-F321 HydrophobicContact CD1-CE1 4.32Å; I227-F321 HydrophobicContact CD1-CE2 3.62Å; I227-F321 HydrophobicContact CD1-CG 3.94Å; I227-F321 HydrophobicContact CD1-CZ 3.99Å; I227-F321 HydrophobicContact CG1-CD2 3.47Å; I227-F321 VanDerWaalsContact CG1-CD2 3.47Å; I227-F321 HydrophobicContact CG1-CE2 3.69Å; I227-F321 HydrophobicContact CG1-CG 4.19Å
228	D	98.7	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.7	-178.1	-70.3	-97.5	0	0	0	109.9	A210 H212 P223 L224 G225 Y230 T319 F321	A210-D228 WeakPolarHBondContact CB-OD1 3.49Å; A210-D228 CarbonylContact O-C 3.57Å; A210-D228 WeakPolarHBondContact O-CA 3.3Å; H212-D228 IonicContact CD2-OD1 3.76Å; H212-D228 IonicContact CE1-OD1 3.91Å; H212-D228 IonicContact NE2-OD1 3.79Å; H212-D228 PolarHBondContact NE2-OD1 3.35Å; P223-D228 VanDerWaalsContact CA-CG 3.47Å; P223-D228 VanDerWaalsContact CA-OD1 3.28Å; P223-D228 WeakPolarHBondContact CA-OD1 3.22Å; P223-D228 HydrophobicContact CB-CB 4.34Å; P223-D228 WeakPolarHBondContact CB-OD2 3.18Å; L224-D228 PolarHBondContact N-OD1 2.79Å; L224-D228 PolarHBondContact N-OD2 2.79Å; G225-D228 PolarHBondContact N-OD1 3.45Å; G225-D228 PolarHBondContact N-OD2 3.45Å; D228-Y230 HydrophobicContact CB-CE2 3.69Å; D228-T319 PolarHBondContact N-O 3.1Å; D228-F321 PolarHBondContact O-N 2.82Å
229	F	98.8	Very high	96.8	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.7	-177.8	-66	-76.7	0	0	0	111.1	A210 L211 H212 I227 P231 A274 F302 V306 F321 F323	A210-F229 WeakPolarHBondContact O-CD2 3.46Å; A210-F229 PolarHBondContact O-N 3.16Å; L211-F229 HydrophobicContact CD1-CB 3.65Å; H212-F229 WeakPolarHBondContact CB-O 3.44Å; H212-F229 PolarHBondContact N-O 3.41Å; I227-F229 HydrophobicContact CD1-CE1 3.73Å; I227-F229 HydrophobicContact CD1-CE2 3.95Å; I227-F229 HydrophobicContact CD1-CZ 3.34Å; I227-F229 HydrophobicContact CG1-CD2 4.34Å; I227-F229 HydrophobicContact CG1-CE1 4.16Å; I227-F229 HydrophobicContact CG1-CE2 3.82Å; I227-F229 HydrophobicContact CG1-CZ 3.72Å; I227-F229 HydrophobicContact CG2-CE2 3.96Å; I227-F229 HydrophobicContact CG2-CZ 4.39Å; F229-P231 VanDerWaalsContact C-CD 3.49Å; F229-P231 WeakPolarHBondContact O-CD 3.49Å; F229-A274 HydrophobicContact CD1-CB 3.63Å; F229-A274 HydrophobicContact CE1-CB 3.53Å; F229-F302 HydrophobicContact CB-CD2 4.2Å; F229-F302 HydrophobicContact CD1-CB 3.91Å; F229-F302 HydrophobicContact CD1-CD2 4.23Å; F229-F302 HydrophobicContact CD1-CG 4.48Å; F229-F302 AromaticContact CD2-CD2 3.74Å; F229-F302 HydrophobicContact CD2-CD2 3.74Å; F229-F302 HydrophobicContact CE1-CB 3.83Å; F229-F302 HydrophobicContact CE2-CD2 4.1Å; F229-F302 HydrophobicContact CG-CB 4.36Å; F229-F302 AromaticContact CG-CD2 3.8Å; F229-F302 HydrophobicContact CG-CD2 3.8Å; F229-F302 HydrophobicContact CG-CG 4.47Å; F229-F302 HydrophobicContact CZ-CB 4.2Å; F229-F302 HydrophobicContact CZ-CD2 4.48Å; F229-V306 HydrophobicContact CE2-CG2 4.02Å; F229-V306 HydrophobicContact CZ-CB 4.48Å; F229-V306 HydrophobicContact CZ-CG2 3.65Å; F229-F321 WeakPolarHBondContact CA-O 2.96Å; F229-F321 HydrophobicContact CD1-CB 4.06Å; F229-F321 HydrophobicContact CE1-CB 4.3Å; F229-F323 HydrophobicContact CB-CE1 4.07Å; F229-F323 HydrophobicContact CD1-CD1 4.4Å; F229-F323 HydrophobicContact CD1-CE1 4.05Å; F229-F323 HydrophobicContact CG-CE1 4.39Å
230	Y	98.7	Very high	96.5	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	73	178.9	-64.1	-92.2	0	0	0	110.3	H212 I215 R221 D228 N232 G233 K320 F321 Y322	H212-Y230 HydrophobicContact CB-CD1 3.56Å; H212-Y230 HydrophobicContact CB-CE1 3.61Å; H212-Y230 HydrophobicContact CB-CG 4.28Å; H212-Y230 AromaticContact CD2-CE1 3.68Å; H212-Y230 AromaticContact CD2-CE2 3.95Å; H212-Y230 AromaticContact CD2-CZ 3.55Å; H212-Y230 AromaticContact CG-CE1 3.55Å; H212-Y230 AromaticContact CG-CZ 3.9Å; H212-Y230 AromaticContact NE2-CZ 3.94Å; I215-Y230 HydrophobicContact CD1-CD1 4.14Å; I215-Y230 HydrophobicContact CD1-CE1 4.22Å; I215-Y230 HydrophobicContact CG2-CE1 4.37Å; R221-Y230 PolarHBondContact O-OH 3.26Å; R221-Y230 VanDerWaalsContact O-OH 3.1Å; D228-Y230 HydrophobicContact CB-CE2 3.69Å; Y230-N232 PolarHBondContact O-N 2.84Å; Y230-G233 PolarHBondContact O-N 3.49Å; Y230-K320 HydrophobicContact CE2-CB 4.22Å; Y230-K320 HydrophobicContact CE2-CD 4.32Å; Y230-K320 HydrophobicContact CE2-CG 3.93Å; Y230-F321 PolarHBondContact N-O 2.83Å; Y230-Y322 VanDerWaalsContact CB-CE1 3.49Å; Y230-Y322 HydrophobicContact CD2-CE1 4.32Å; Y230-Y322 HydrophobicContact CG-CE1 4.01Å
231	P	98.1	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	131.4	174.8	26.2	-38.3	0	0	0	111	L211 H212 T213 F229 G233 G234 Q237 L261 F323 T325	L211-P231 VanDerWaalsContact CD1-CD 3.46Å; L211-P231 HydrophobicContact CD1-CG 3.7Å; H212-P231 VanDerWaalsContact O-CD 3.3Å; H212-P231 WeakPolarHBondContact O-CD 3.37Å; T213-P231 HydrophobicContact CG2-CG 3.63Å; F229-P231 VanDerWaalsContact C-CD 3.49Å; F229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-G233 PolarHBondContact O-N 2.91Å; P231-G233 VanDerWaalsContact O-N 3.08Å; P231-G234 WeakPolarHBondContact O-CA 3.45Å; P231-G234 PolarHBondContact O-N 3.36Å; P231-Q237 PolarHBondContact O-NE2 2.81Å; P231-Q237 VanDerWaalsContact O-NE2 3.13Å; P231-L261 HydrophobicContact CB-CD1 3.99Å; P231-L261 HydrophobicContact CG-CD1 3.86Å; P231-F323 CarbonylContact C-O 3.55Å; P231-F323 VanDerWaalsContact CA-O 3.25Å; P231-F323 WeakPolarHBondContact CA-O 3.05Å; P231-F323 HydrophobicContact CB-CD2 4.41Å; P231-F323 HydrophobicContact CB-CE1 4.13Å; P231-F323 HydrophobicContact CB-CE2 3.87Å; P231-F323 HydrophobicContact CB-CZ 3.71Å; P231-F323 HydrophobicContact CG-CZ 4.33Å; P231-T325 HydrophobicContact CB-CG2 4.31Å
232	N	97.6	Very high	94.3	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.091	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	56.9	26.5	178.6	-45.6	-65.5	0	0	0	113	Y230 G234 Q237 P238 H280 F323 N324 T325	Y230-N232 PolarHBondContact O-N 2.84Å; N232-G234 VanDerWaalsContact C-N 3.29Å; N232-Q237 PolarHBondContact ND2-OE1 3.14Å; N232-P238 VanDerWaalsContact CG-CD 3.42Å; N232-P238 WeakPolarHBondContact ND2-CD 3.18Å; N232-H280 VanDerWaalsContact C-CE1 3.47Å; N232-F323 PolarHBondContact N-O 3.13Å; N232-N324 WeakPolarHBondContact CA-OD1 3.21Å; N232-N324 WeakPolarHBondContact OD1-CA 3.23Å; N232-N324 WeakPolarHBondContact OD1-CB 3.15Å; N232-T325 PolarHBondContact ND2-OG1 2.98Å; N232-T325 PolarHBondContact OD1-N 3.44Å; N232-T325 PolarHBondContact OD1-O 3.03Å
233	G	97.3	Very high	92.4	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	87.5	-7	-175.9	0	0	0	0	0	114.5	Y230 P231 H280	Y230-G233 PolarHBondContact O-N 3.49Å; P231-G233 PolarHBondContact O-N 2.91Å; P231-G233 VanDerWaalsContact O-N 3.08Å; G233-H280 VanDerWaalsContact CA-CG 3.46Å; G233-H280 PolarHBondContact N-CD2 3.26Å; G233-H280 PolarHBondContact N-CE1 2.04Å; G233-H280 PolarHBondContact N-NE2 3.18Å
234	G	97.1	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	82.4	9.6	177.9	0	0	0	0	0	115.3	H212 T213 D214 I215 P231 N232	H212-G234 WeakPolarHBondContact O-CA 3.28Å; T213-G234 CarbonylContact C-O 3.59Å; D214-G234 PolarHBondContact N-O 3.46Å; D214-G234 VanDerWaalsContact N-O 3.16Å; I215-G234 WeakPolarHBondContact CG1-O 3.39Å; I215-G234 PolarHBondContact N-O 3.42Å; P231-G234 WeakPolarHBondContact O-CA 3.45Å; P231-G234 PolarHBondContact O-N 3.36Å; N232-G234 VanDerWaalsContact C-N 3.29Å
235	T	94.6	Very high	88.3	Confident	39 Å²	39	40.7 Å²	40.7	24%	0.239	24%	0.236	C	C	.	.	S	Bend	trans	-109.6	-104.7	175.6	58.4	0	0	0	0	109.5	I215 D216 Q237	I215-T235 HydrophobicContact CD1-CG2 4.18Å; I215-T235 HydrophobicContact CG1-CG2 3.66Å; D216-T235 HydrophobicContact CB-CG2 3.9Å; D216-T235 WeakPolarHBondContact OD1-CA 3.22Å; D216-T235 WeakPolarHBondContact OD1-CB 3.28Å; T235-Q237 PolarHBondContact O-N 2.95Å; T235-Q237 PolarHBondContact O-NE2 3.49Å
236	D	93.1	Very high	86	Confident	73 Å²	73	43.6 Å²	43.6	39%	0.39	26%	0.256	S	S	.	.	S	Bend	trans	-72	115.3	-174.7	-64.5	-65.8	0	0	0	113.2	Y250	D236-Y250 WeakPolarHBondContact OD1-CE2 3.22Å; D236-Y250 PolarHBondContact OD1-OH 3.26Å
237	Q	95.7	Very high	83.5	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.023	28%	0.281	C	S	.	.			trans	-88.4	135	179	-54	-58	-55.2	0	0	111.5	T213 P231 N232 T235 G239 C240 D254 R257	T213-Q237 HydrophobicContact CG2-CG 4.36Å; T213-Q237 WeakPolarHBondContact O-CG 3.33Å; T213-Q237 PolarHBondContact O-NE2 2.91Å; P231-Q237 PolarHBondContact O-NE2 2.81Å; P231-Q237 VanDerWaalsContact O-NE2 3.13Å; N232-Q237 PolarHBondContact ND2-OE1 3.14Å; T235-Q237 PolarHBondContact O-N 2.95Å; T235-Q237 PolarHBondContact O-NE2 3.49Å; Q237-G239 PolarHBondContact O-N 2.85Å; Q237-C240 WeakPolarHBondContact O-CB 3.45Å; Q237-C240 PolarHBondContact O-N 2.77Å; Q237-C240 VanDerWaalsContact O-N 3.11Å; Q237-D254 WeakPolarHBondContact CA-OD1 3.3Å; Q237-D254 WeakPolarHBondContact CB-OD1 3.41Å; Q237-D254 HydrophobicContact CG-CB 4.21Å; Q237-D254 WeakPolarHBondContact CG-OD1 3.42Å; Q237-D254 PolarHBondContact N-OD1 3.46Å; Q237-R257 HydrophobicContact CB-CB 4.08Å; Q237-R257 HydrophobicContact CB-CG 3.78Å; Q237-R257 HydrophobicContact CG-CB 3.84Å; Q237-R257 HydrophobicContact CG-CG 3.76Å
238	P	94.8	Very high	81.4	Confident	40 Å²	40	49 Å²	49	26%	0.26	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	136.3	177.1	-28.2	36.5	0	0	0	112.6	N232 C240 R257 T325 S327	N232-P238 VanDerWaalsContact CG-CD 3.42Å; N232-P238 WeakPolarHBondContact ND2-CD 3.18Å; P238-C240 VanDerWaalsContact C-N 3.28Å; P238-C240 PolarHBondContact O-N 2.84Å; P238-R257 PolarHBondContact O-NH2 3.08Å; P238-T325 WeakPolarHBondContact CG-O 3.21Å; P238-S327 WeakPolarHBondContact O-CA 3.32Å
239	G	90.8	Very high	79.6	Confident	57 Å²	57	50.7 Å²	50.7	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-8.6	-178.9	0	0	0	0	0	114.8	Q237	Q237-G239 PolarHBondContact O-N 2.85Å
240	C	89.9	Confident	77.6	Confident	12 Å²	12	51.7 Å²	51.7	8%	0.081	32%	0.324	C	S	.	.	S	Bend	trans	-79.3	151.5	168	-67.4	0	0	0	0	111	Q237 P238 C253 D254	Q237-C240 WeakPolarHBondContact O-CB 3.45Å; Q237-C240 PolarHBondContact O-N 2.77Å; Q237-C240 VanDerWaalsContact O-N 3.11Å; P238-C240 VanDerWaalsContact C-N 3.28Å; P238-C240 PolarHBondContact O-N 2.84Å; C240-C253 WeakPolarHBondContact CA-SG 3.24Å; C240-C253 HydrophobicContact CB-CB 3.6Å; C240-C253 WeakPolarHBondContact CB-SG 3.24Å; C240-C253 WeakPolarHBondContact SG-CB 3.48Å; C240-C253 CovalentContact SG-SG 2.04Å; C240-C253 PolarHBondContact SG-SG 2.98Å; C240-D254 VanDerWaalsContact CB-OD1 3.28Å; C240-D254 WeakPolarHBondContact CB-OD1 3.38Å; C240-D254 PolarHBondContact SG-N 3.05Å; C240-D254 PolarHBondContact SG-OD1 3.02Å
241	P	80.6	Confident	75.7	Confident	52 Å²	52	53.2 Å²	53.2	34%	0.338	33%	0.331	S	S	.	.			trans	-51.9	152.8	171.7	-23.9	34	0	0	0	110.4	Y250	P241-Y250 WeakPolarHBondContact O-CD2 3.39Å; P241-Y250 WeakPolarHBondContact O-CE2 3.48Å
242	K	68.1	Low	74.9	Confident	183 Å²	183	59 Å²	59	80%	0.796	36%	0.356	S	S	*	.			trans	-108.4	2.4	178.7	-65.2	-170.7	176.8	-170	0	113.8
243	T	58.6	Low	74.5	Confident	73 Å²	73	59.9 Å²	59.9	45%	0.448	36%	0.363	S	S	.	.			trans	-130.2	137.9	-171.1	66.6	0	0	0	0	111.7	L245 S246	T243-L245 PolarHBondContact O-N 2.99Å; T243-L245 VanDerWaalsContact O-N 3.1Å; T243-S246 PolarHBondContact O-N 3.01Å
244	V	54.3	Low	74.3	Confident	92 Å²	92	59.3 Å²	59.3	56%	0.558	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-7	172.3	-62.5	0	0	0	0	113.5	S246 P247 Y250 F251	V244-S246 PolarHBondContact O-N 3.28Å; V244-P247 WeakPolarHBondContact O-CD 3.36Å; V244-P247 VanDerWaalsContact O-CG 3.28Å; V244-P247 WeakPolarHBondContact O-CG 3.38Å; V244-Y250 HydrophobicContact CG1-CD1 4.43Å; V244-F251 HydrophobicContact CG1-CZ 3.82Å
245	L	52.8	Low	74.3	Confident	152 Å²	152	59.9 Å²	59.9	80%	0.796	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.1	173.8	-65.3	174.7	0	0	0	112.7	T243 P247	T243-L245 PolarHBondContact O-N 2.99Å; T243-L245 VanDerWaalsContact O-N 3.1Å; L245-P247 WeakPolarHBondContact O-CD 3.44Å
246	S	49.7	Very low	74.2	Confident	63 Å²	63	59.6 Å²	59.6	44%	0.441	36%	0.356	S	S	.	.	S	Bend	trans	-113.4	72	160.4	-64.2	0	0	0	0	110.1	T243 V244 G248 G249 Y250	T243-S246 PolarHBondContact O-N 3.01Å; V244-S246 PolarHBondContact O-N 3.28Å; S246-G248 PolarHBondContact O-N 3Å; S246-G249 PolarHBondContact O-N 3.13Å; S246-Y250 PolarHBondContact O-N 2.77Å
247	P	45.2	Very low	74.4	Confident	108 Å²	108	57 Å²	57	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.7	179.1	-16.7	27.4	0	0	0	109.8	V244 L245 G249	V244-P247 WeakPolarHBondContact O-CD 3.36Å; V244-P247 VanDerWaalsContact O-CG 3.28Å; V244-P247 WeakPolarHBondContact O-CG 3.38Å; L245-P247 WeakPolarHBondContact O-CD 3.44Å; P247-G249 VanDerWaalsContact C-N 3.26Å; P247-G249 PolarHBondContact O-N 3.34Å
248	G	55.3	Low	74.5	Confident	44 Å²	44	56.8 Å²	56.8	45%	0.454	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-16.6	-177.9	0	0	0	0	0	115.7	S246 K252	S246-G248 PolarHBondContact O-N 3Å; G248-K252 WeakPolarHBondContact O-CB 3.32Å
249	G	60.7	Low	74.7	Confident	35 Å²	35	54.9 Å²	54.9	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-40.6	172	0	0	0	0	0	112.9	S246 P247 C253	S246-G249 PolarHBondContact O-N 3.13Å; P247-G249 VanDerWaalsContact C-N 3.26Å; P247-G249 PolarHBondContact O-N 3.34Å; G249-C253 VanDerWaalsContact O-CB 3.27Å; G249-C253 WeakPolarHBondContact O-CB 3.39Å; G249-C253 PolarHBondContact O-N 3.09Å
250	Y	56.3	Low	74.9	Confident	23 Å²	23	56 Å²	56	9%	0.09	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-70.4	176.8	172.4	-132.4	0	0	0	111.7	D236 P241 V244 S246 K252 C253 D254	D236-Y250 WeakPolarHBondContact OD1-CE2 3.22Å; D236-Y250 PolarHBondContact OD1-OH 3.26Å; P241-Y250 WeakPolarHBondContact O-CD2 3.39Å; P241-Y250 WeakPolarHBondContact O-CE2 3.48Å; V244-Y250 HydrophobicContact CG1-CD1 4.43Å; S246-Y250 PolarHBondContact O-N 2.77Å; Y250-K252 VanDerWaalsContact C-N 3.27Å; Y250-K252 PolarHBondContact O-N 3.11Å; Y250-K252 VanDerWaalsContact O-N 3.16Å; Y250-C253 WeakPolarHBondContact O-CA 3.27Å; Y250-C253 VanDerWaalsContact O-CB 3.29Å; Y250-C253 WeakPolarHBondContact O-CB 3.48Å; Y250-C253 PolarHBondContact O-N 3.29Å; Y250-D254 VanDerWaalsContact CD2-OD2 3.32Å; Y250-D254 WeakPolarHBondContact CD2-OD2 3.49Å; Y250-D254 WeakPolarHBondContact CE2-OD2 3.39Å; Y250-D254 PolarHBondContact O-N 3.4Å
251	F	59.4	Low	75.3	Confident	37 Å²	37	55.6 Å²	55.6	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-54.9	-38.2	-177.9	-51.8	-56.6	0	0	0	114.3	F217 V244 C253 H255	F217-F251 HydrophobicContact CB-CD1 3.81Å; F217-F251 HydrophobicContact CB-CE1 4.12Å; F217-F251 HydrophobicContact CD1-CB 3.52Å; F217-F251 AromaticContact CD1-CD1 3.16Å; F217-F251 HydrophobicContact CD1-CD1 3.16Å; F217-F251 AromaticContact CD1-CD2 3.97Å; F217-F251 HydrophobicContact CD1-CD2 3.97Å; F217-F251 AromaticContact CD1-CE1 3.76Å; F217-F251 HydrophobicContact CD1-CE1 3.76Å; F217-F251 HydrophobicContact CD1-CE2 4.48Å; F217-F251 AromaticContact CD1-CG 3.27Å; F217-F251 HydrophobicContact CD1-CG 3.27Å; F217-F251 HydrophobicContact CD1-CZ 4.38Å; F217-F251 AromaticContact CD2-CD1 3.87Å; F217-F251 HydrophobicContact CD2-CD1 3.87Å; F217-F251 AromaticContact CD2-CE1 3.56Å; F217-F251 HydrophobicContact CD2-CE1 3.56Å; F217-F251 HydrophobicContact CD2-CZ 4.01Å; F217-F251 HydrophobicContact CE1-CB 3.68Å; F217-F251 AromaticContact CE1-CD1 3.62Å; F217-F251 HydrophobicContact CE1-CD1 3.62Å; F217-F251 AromaticContact CE1-CD2 3.51Å; F217-F251 HydrophobicContact CE1-CD2 3.51Å; F217-F251 HydrophobicContact CE1-CE1 4.05Å; F217-F251 AromaticContact CE1-CE2 3.97Å; F217-F251 HydrophobicContact CE1-CE2 3.97Å; F217-F251 AromaticContact CE1-CG 3.3Å; F217-F251 HydrophobicContact CE1-CG 3.3Å; F217-F251 HydrophobicContact CE1-CZ 4.21Å; F217-F251 HydrophobicContact CE2-CD1 4.23Å; F217-F251 HydrophobicContact CE2-CD2 4.49Å; F217-F251 AromaticContact CE2-CE1 3.83Å; F217-F251 HydrophobicContact CE2-CE1 3.83Å; F217-F251 HydrophobicContact CE2-CE2 4.14Å; F217-F251 AromaticContact CE2-CZ 3.78Å; F217-F251 HydrophobicContact CE2-CZ 3.78Å; F217-F251 HydrophobicContact CG-CB 4.49Å; F217-F251 AromaticContact CG-CD1 3.33Å; F217-F251 HydrophobicContact CG-CD1 3.33Å; F217-F251 AromaticContact CG-CE1 3.54Å; F217-F251 HydrophobicContact CG-CE1 3.54Å; F217-F251 AromaticContact CG-CG 3.95Å; F217-F251 HydrophobicContact CG-CG 3.95Å; F217-F251 HydrophobicContact CG-CZ 4.31Å; F217-F251 HydrophobicContact CZ-CD1 4.13Å; F217-F251 AromaticContact CZ-CD2 3.81Å; F217-F251 HydrophobicContact CZ-CD2 3.81Å; F217-F251 HydrophobicContact CZ-CE1 4.07Å; F217-F251 AromaticContact CZ-CE2 3.78Å; F217-F251 HydrophobicContact CZ-CE2 3.78Å; F217-F251 AromaticContact CZ-CG 3.98Å; F217-F251 HydrophobicContact CZ-CG 3.98Å; F217-F251 AromaticContact CZ-CZ 3.9Å; F217-F251 HydrophobicContact CZ-CZ 3.9Å; V244-F251 HydrophobicContact CG1-CZ 3.82Å; F251-C253 VanDerWaalsContact C-N 3.29Å; F251-C253 PolarHBondContact O-N 3.33Å; F251-H255 VanDerWaalsContact O-CB 3.23Å; F251-H255 WeakPolarHBondContact O-CB 3.15Å; F251-H255 PolarHBondContact O-N 3.33Å; F251-H255 VanDerWaalsContact O-N 3.16Å
252	K	81.1	Confident	76.1	Confident	122 Å²	122	53.1 Å²	53.1	53%	0.53	30%	0.296	S	S	.	.	H	α-helix	trans	-68.3	-31.9	176.9	-173.6	178.8	176.9	-179	0	111.5	G248 Y250 Q256	G248-K252 WeakPolarHBondContact O-CB 3.32Å; Y250-K252 VanDerWaalsContact C-N 3.27Å; Y250-K252 PolarHBondContact O-N 3.11Å; Y250-K252 VanDerWaalsContact O-N 3.16Å; K252-Q256 HydrophobicContact CG-CG 4.05Å; K252-Q256 WeakPolarHBondContact O-CB 3.46Å; K252-Q256 WeakPolarHBondContact O-CG 3.41Å; K252-Q256 PolarHBondContact O-N 2.96Å
253	C	89.2	Confident	77.4	Confident	35 Å²	35	44.6 Å²	44.6	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-51.3	-179.1	-176	0	0	0	0	111.2	C240 G249 Y250 F251 H255 Q256 R257	C240-C253 WeakPolarHBondContact CA-SG 3.24Å; C240-C253 HydrophobicContact CB-CB 3.6Å; C240-C253 WeakPolarHBondContact CB-SG 3.24Å; C240-C253 WeakPolarHBondContact SG-CB 3.48Å; C240-C253 CovalentContact SG-SG 2.04Å; C240-C253 PolarHBondContact SG-SG 2.98Å; G249-C253 VanDerWaalsContact O-CB 3.27Å; G249-C253 WeakPolarHBondContact O-CB 3.39Å; G249-C253 PolarHBondContact O-N 3.09Å; Y250-C253 WeakPolarHBondContact O-CA 3.27Å; Y250-C253 VanDerWaalsContact O-CB 3.29Å; Y250-C253 WeakPolarHBondContact O-CB 3.48Å; Y250-C253 PolarHBondContact O-N 3.29Å; F251-C253 VanDerWaalsContact C-N 3.29Å; F251-C253 PolarHBondContact O-N 3.33Å; C253-H255 PolarHBondContact O-N 3.02Å; C253-Q256 PolarHBondContact O-N 3.2Å; C253-R257 PolarHBondContact O-N 3.12Å
254	D	93.8	Very high	79.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-46.4	179.7	-64.6	-53.8	0	0	0	110.6	T213 D214 Q237 C240 Y250 Q256 R257	T213-D254 WeakPolarHBondContact CB-O 3.5Å; T213-D254 PolarHBondContact OG1-O 3.02Å; D214-D254 HydrophobicContact CB-CB 4.1Å; Q237-D254 WeakPolarHBondContact CA-OD1 3.3Å; Q237-D254 WeakPolarHBondContact CB-OD1 3.41Å; Q237-D254 HydrophobicContact CG-CB 4.21Å; Q237-D254 WeakPolarHBondContact CG-OD1 3.42Å; Q237-D254 PolarHBondContact N-OD1 3.46Å; C240-D254 VanDerWaalsContact CB-OD1 3.28Å; C240-D254 WeakPolarHBondContact CB-OD1 3.38Å; C240-D254 PolarHBondContact SG-N 3.05Å; C240-D254 PolarHBondContact SG-OD1 3.02Å; Y250-D254 VanDerWaalsContact CD2-OD2 3.32Å; Y250-D254 WeakPolarHBondContact CD2-OD2 3.49Å; Y250-D254 WeakPolarHBondContact CE2-OD2 3.39Å; Y250-D254 PolarHBondContact O-N 3.4Å; D254-Q256 PolarHBondContact O-N 3.35Å; D254-R257 WeakPolarHBondContact O-CB 3.4Å; D254-R257 PolarHBondContact O-N 2.85Å
255	H	95.6	Very high	81.1	Confident	12 Å²	12	38 Å²	38	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-40.3	177.1	-167.7	58.7	0	0	0	113.7	S161 D185 D214 L218 F251 C253 R257 S258	S161-H255 WeakPolarHBondContact CB-NE2 3.31Å; S161-H255 PolarHBondContact OG-CE1 3.27Å; S161-H255 PolarHBondContact OG-NE2 3.16Å; D185-H255 PolarHBondContact O-CE1 2.79Å; D185-H255 WeakPolarHBondContact OD2-CA 3.42Å; D185-H255 IonicContact OD2-CE1 3.84Å; D185-H255 IonicContact OD2-CG 3.25Å; D185-H255 IonicContact OD2-ND1 2.8Å; D185-H255 PolarHBondContact OD2-ND1 3.14Å; D214-H255 HydrophobicContact CB-CB 4.18Å; L218-H255 HydrophobicContact CD1-CB 3.91Å; F251-H255 VanDerWaalsContact O-CB 3.23Å; F251-H255 WeakPolarHBondContact O-CB 3.15Å; F251-H255 PolarHBondContact O-N 3.33Å; F251-H255 VanDerWaalsContact O-N 3.16Å; C253-H255 PolarHBondContact O-N 3.02Å; H255-R257 VanDerWaalsContact C-N 3.32Å; H255-S258 PolarHBondContact O-OG 2.74Å
256	Q	94.3	Very high	83	Confident	33 Å²	33	30.8 Å²	30.8	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-76.4	-17.3	176.5	-67.3	-68.9	-80.4	0	0	113.1	K252 C253 D254 S258 V259 F260	K252-Q256 HydrophobicContact CG-CG 4.05Å; K252-Q256 WeakPolarHBondContact O-CB 3.46Å; K252-Q256 WeakPolarHBondContact O-CG 3.41Å; K252-Q256 PolarHBondContact O-N 2.96Å; C253-Q256 PolarHBondContact O-N 3.2Å; D254-Q256 PolarHBondContact O-N 3.35Å; Q256-S258 PolarHBondContact O-N 2.83Å; Q256-V259 PolarHBondContact O-N 3.13Å; Q256-V259 VanDerWaalsContact O-N 3.16Å; Q256-F260 HydrophobicContact CB-CE2 4.21Å; Q256-F260 VanDerWaalsContact O-CD2 3.23Å; Q256-F260 WeakPolarHBondContact O-CD2 3.42Å; Q256-F260 PolarHBondContact O-N 3.12Å
257	R	96.6	Very high	84.7	Confident	19 Å²	19	31.6 Å²	31.6	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-35	178.9	-178.6	63.6	70.8	-156.7	6	111.1	T213 Q237 P238 C253 D254 H255 V259 F260 L261 Y331	T213-R257 HydrophobicContact CG2-CB 4.47Å; Q237-R257 HydrophobicContact CB-CB 4.08Å; Q237-R257 HydrophobicContact CB-CG 3.78Å; Q237-R257 HydrophobicContact CG-CB 3.84Å; Q237-R257 HydrophobicContact CG-CG 3.76Å; P238-R257 PolarHBondContact O-NH2 3.08Å; C253-R257 PolarHBondContact O-N 3.12Å; D254-R257 WeakPolarHBondContact O-CB 3.4Å; D254-R257 PolarHBondContact O-N 2.85Å; H255-R257 VanDerWaalsContact C-N 3.32Å; R257-V259 VanDerWaalsContact C-N 3.26Å; R257-V259 PolarHBondContact O-N 3.04Å; R257-F260 PolarHBondContact O-N 2.93Å; R257-F260 VanDerWaalsContact O-N 3.14Å; R257-L261 HydrophobicContact CG-CD1 3.8Å; R257-L261 HydrophobicContact CG-CD2 4.47Å; R257-L261 HydrophobicContact CG-CG 3.8Å; R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 WeakPolarHBondContact O-CG 3.18Å; R257-L261 PolarHBondContact O-N 3.09Å; R257-Y331 VanDerWaalsContact NH1-CE1 3.26Å; R257-Y331 VanDerWaalsContact NH1-CZ 3.25Å; R257-Y331 PolarHBondContact NH1-OH 2.97Å
258	S	97.9	Very high	86.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-51.1	-43.9	176.1	58.7	0	0	0	0	113.5	L211 T213 H255 Q256 F262	L211-S258 WeakPolarHBondContact CD2-O 3.41Å; T213-S258 WeakPolarHBondContact OG1-CB 3.41Å; H255-S258 PolarHBondContact O-OG 2.74Å; Q256-S258 PolarHBondContact O-N 2.83Å; S258-F262 WeakPolarHBondContact O-CB 3.46Å; S258-F262 PolarHBondContact O-N 2.6Å
259	V	97.7	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-48.2	178.7	-175.1	0	0	0	0	111	W94 F98 V160 L184 Q256 R257 L261 F262 M263	W94-V259 HydrophobicContact CB-CG1 4.1Å; W94-V259 HydrophobicContact CD2-CB 4.5Å; W94-V259 HydrophobicContact CD2-CG1 3.56Å; W94-V259 HydrophobicContact CE3-CG1 3.87Å; W94-V259 HydrophobicContact CG-CB 4.44Å; W94-V259 HydrophobicContact CG-CG1 3.65Å; W94-V259 HydrophobicContact CZ2-CG1 4.5Å; W94-V259 HydrophobicContact CZ2-CG2 4.26Å; W94-V259 HydrophobicContact CZ3-CG1 4.48Å; F98-V259 HydrophobicContact CD1-CG1 4.03Å; F98-V259 HydrophobicContact CE1-CG1 4.11Å; V160-V259 HydrophobicContact CB-CG2 4.46Å; V160-V259 HydrophobicContact CG1-CG2 3.69Å; V160-V259 HydrophobicContact CG2-CG2 3.85Å; L184-V259 HydrophobicContact CD1-CG2 4.4Å; Q256-V259 PolarHBondContact O-N 3.13Å; Q256-V259 VanDerWaalsContact O-N 3.16Å; R257-V259 VanDerWaalsContact C-N 3.26Å; R257-V259 PolarHBondContact O-N 3.04Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.28Å; V259-F262 PolarHBondContact O-N 3.14Å; V259-M263 HydrophobicContact CG1-CG 4.23Å; V259-M263 HydrophobicContact CG1-SD 3.8Å; V259-M263 VanDerWaalsContact O-CB 3.32Å; V259-M263 WeakPolarHBondContact O-CB 3.35Å; V259-M263 VanDerWaalsContact O-CG 3.22Å; V259-M263 WeakPolarHBondContact O-CG 3.46Å; V259-M263 PolarHBondContact O-N 3.26Å
260	F	96.6	Very high	88.9	Confident	80 Å²	80	31.8 Å²	31.8	35%	0.351	17%	0.166	S	C	.	.	H	α-helix	trans	-65.1	-38.2	-179.9	-65.5	-67	0	0	0	112.5	W94 Q256 R257 D264 Y331	W94-F260 HydrophobicContact CB-CE1 4.15Å; W94-F260 HydrophobicContact CB-CZ 4.44Å; Q256-F260 HydrophobicContact CB-CE2 4.21Å; Q256-F260 VanDerWaalsContact O-CD2 3.23Å; Q256-F260 WeakPolarHBondContact O-CD2 3.42Å; Q256-F260 PolarHBondContact O-N 3.12Å; R257-F260 PolarHBondContact O-N 2.93Å; R257-F260 VanDerWaalsContact O-N 3.14Å; F260-D264 WeakPolarHBondContact O-CB 3.49Å; F260-D264 PolarHBondContact O-N 3.47Å; F260-Y331 HydrophobicContact CB-CE2 4.04Å
261	L	97.4	Very high	90.5	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-49.1	174.7	-71.3	-179.1	0	0	0	111	L211 T213 P231 R257 V259 M263 D264 T265 F302 T325 Y331	L211-L261 HydrophobicContact CD2-CB 4.17Å; L211-L261 HydrophobicContact CD2-CD1 4.48Å; T213-L261 HydrophobicContact CG2-CD1 4.08Å; P231-L261 HydrophobicContact CB-CD1 3.99Å; P231-L261 HydrophobicContact CG-CD1 3.86Å; R257-L261 HydrophobicContact CG-CD1 3.8Å; R257-L261 HydrophobicContact CG-CD2 4.47Å; R257-L261 HydrophobicContact CG-CG 3.8Å; R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 WeakPolarHBondContact O-CG 3.18Å; R257-L261 PolarHBondContact O-N 3.09Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.28Å; L261-M263 PolarHBondContact O-N 3.39Å; L261-D264 WeakPolarHBondContact O-CB 3.2Å; L261-D264 PolarHBondContact O-N 2.94Å; L261-T265 VanDerWaalsContact O-CG2 3.28Å; L261-T265 WeakPolarHBondContact O-CG2 3.45Å; L261-T265 PolarHBondContact O-N 3.14Å; L261-F302 HydrophobicContact CB-CE1 3.79Å; L261-F302 HydrophobicContact CB-CZ 3.99Å; L261-T325 HydrophobicContact CD1-CG2 4.38Å; L261-T325 HydrophobicContact CD2-CG2 3.79Å; L261-Y331 VanDerWaalsContact CD2-CB 3.49Å; L261-Y331 HydrophobicContact CD2-CD1 4.18Å; L261-Y331 HydrophobicContact CD2-CD2 3.73Å; L261-Y331 HydrophobicContact CD2-CG 3.53Å
262	F	97.9	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-45.4	179	-175.4	-92.6	0	0	0	111.7	F98 I158 T182 L184 S258 V259 D264 T265 I266 F302 Y304	F98-F262 AromaticContact CE2-CD1 3.79Å; F98-F262 HydrophobicContact CE2-CD1 3.79Å; F98-F262 AromaticContact CE2-CE1 3.84Å; F98-F262 HydrophobicContact CE2-CE1 3.84Å; F98-F262 AromaticContact CZ-CD1 3.52Å; F98-F262 HydrophobicContact CZ-CD1 3.52Å; F98-F262 AromaticContact CZ-CE1 3.78Å; F98-F262 HydrophobicContact CZ-CE1 3.78Å; I158-F262 HydrophobicContact CD1-CE1 3.82Å; I158-F262 HydrophobicContact CD1-CZ 4.16Å; T182-F262 HydrophobicContact CG2-CD2 3.92Å; T182-F262 HydrophobicContact CG2-CE2 3.66Å; T182-F262 HydrophobicContact CG2-CZ 4.3Å; L184-F262 HydrophobicContact CD1-CB 4Å; L184-F262 HydrophobicContact CD1-CD1 4.4Å; L184-F262 HydrophobicContact CD1-CG 4.21Å; L184-F262 HydrophobicContact CD2-CB 3.68Å; L184-F262 HydrophobicContact CD2-CD2 3.99Å; L184-F262 HydrophobicContact CD2-CG 3.92Å; S258-F262 WeakPolarHBondContact O-CB 3.46Å; S258-F262 PolarHBondContact O-N 2.6Å; V259-F262 PolarHBondContact O-N 3.14Å; F262-D264 VanDerWaalsContact C-N 3.3Å; F262-D264 PolarHBondContact O-N 2.92Å; F262-T265 WeakPolarHBondContact O-CB 3.36Å; F262-T265 PolarHBondContact O-N 2.93Å; F262-T265 PolarHBondContact O-OG1 3.23Å; F262-I266 HydrophobicContact CE1-CD1 4.49Å; F262-I266 HydrophobicContact CE1-CG1 4.43Å; F262-F302 HydrophobicContact CB-CZ 4.27Å; F262-Y304 HydrophobicContact CE1-CD2 4.31Å; F262-Y304 AromaticContact CZ-CD2 3.99Å; F262-Y304 HydrophobicContact CZ-CD2 3.99Å
263	M	96.1	Very high	92.7	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-42.2	177.1	-76.7	179	64.5	0	0	112.3	W94 N97 F98 W101 V259 L261 T265 I266	W94-M263 HydrophobicContact CB-SD 3.82Å; N97-M263 HydrophobicContact CB-CE 3.63Å; F98-M263 HydrophobicContact CB-CE 3.98Å; F98-M263 HydrophobicContact CB-CG 4.14Å; F98-M263 HydrophobicContact CB-SD 3.78Å; F98-M263 HydrophobicContact CD1-CG 4.06Å; F98-M263 HydrophobicContact CD1-SD 4.19Å; F98-M263 HydrophobicContact CD2-CG 3.73Å; F98-M263 HydrophobicContact CE1-CG 4.4Å; F98-M263 HydrophobicContact CE2-CG 4.11Å; F98-M263 HydrophobicContact CG-CG 3.72Å; F98-M263 HydrophobicContact CG-SD 3.93Å; F98-M263 HydrophobicContact CZ-CG 4.41Å; W101-M263 HydrophobicContact CD2-CE 4.22Å; W101-M263 HydrophobicContact CE3-CB 3.71Å; W101-M263 HydrophobicContact CE3-CE 3.77Å; W101-M263 HydrophobicContact CE3-CG 4.42Å; W101-M263 VanDerWaalsContact CE3-O 3.22Å; W101-M263 HydrophobicContact CH2-CE 4.25Å; W101-M263 HydrophobicContact CZ3-CB 3.59Å; W101-M263 HydrophobicContact CZ3-CE 3.81Å; W101-M263 WeakPolarHBondContact CZ3-O 3.34Å; V259-M263 HydrophobicContact CG1-CG 4.23Å; V259-M263 HydrophobicContact CG1-SD 3.8Å; V259-M263 VanDerWaalsContact O-CB 3.32Å; V259-M263 WeakPolarHBondContact O-CB 3.35Å; V259-M263 VanDerWaalsContact O-CG 3.22Å; V259-M263 WeakPolarHBondContact O-CG 3.46Å; V259-M263 PolarHBondContact O-N 3.26Å; L261-M263 PolarHBondContact O-N 3.39Å; M263-T265 PolarHBondContact O-N 2.8Å; M263-I266 HydrophobicContact CG-CD1 4.48Å; M263-I266 WeakPolarHBondContact O-CB 3.36Å; M263-I266 WeakPolarHBondContact O-CG1 3.25Å; M263-I266 PolarHBondContact O-N 3.04Å; M263-I266 VanDerWaalsContact O-N 3.08Å
264	D	94.3	Very high	93	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.08	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-28.1	178.6	-154.5	54.3	0	0	0	112.5	F260 L261 F262 I266 S329 P330 Y331	F260-D264 WeakPolarHBondContact O-CB 3.49Å; F260-D264 PolarHBondContact O-N 3.47Å; L261-D264 WeakPolarHBondContact O-CB 3.2Å; L261-D264 PolarHBondContact O-N 2.94Å; F262-D264 VanDerWaalsContact C-N 3.3Å; F262-D264 PolarHBondContact O-N 2.92Å; D264-I266 VanDerWaalsContact C-N 3.35Å; D264-S329 WeakPolarHBondContact OD1-CB 3.42Å; D264-S329 PolarHBondContact OD1-OG 3.13Å; D264-P330 VanDerWaalsContact OD2-CA 3.26Å; D264-P330 WeakPolarHBondContact OD2-CA 3.39Å; D264-Y331 HydrophobicContact CB-CD2 3.94Å; D264-Y331 PolarHBondContact OD2-N 2.94Å
265	T	95.3	Very high	93	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	15%	0.151	C	C	.	.	H	α-helix	trans	-78.7	-17.4	179.1	75.4	0	0	0	0	113.9	L261 F262 M263 N267 D268 F302 G303 Y304	L261-T265 VanDerWaalsContact O-CG2 3.28Å; L261-T265 WeakPolarHBondContact O-CG2 3.45Å; L261-T265 PolarHBondContact O-N 3.14Å; F262-T265 WeakPolarHBondContact O-CB 3.36Å; F262-T265 PolarHBondContact O-N 2.93Å; F262-T265 PolarHBondContact O-OG1 3.23Å; M263-T265 PolarHBondContact O-N 2.8Å; T265-N267 VanDerWaalsContact C-N 3.29Å; T265-N267 PolarHBondContact O-N 3.36Å; T265-D268 PolarHBondContact O-N 3.3Å; T265-D268 VanDerWaalsContact O-N 3.15Å; T265-F302 HydrophobicContact CG2-CD1 3.72Å; T265-F302 HydrophobicContact CG2-CE1 3.53Å; T265-F302 HydrophobicContact CG2-CZ 4.34Å; T265-F302 WeakPolarHBondContact CG2-O 3.37Å; T265-G303 VanDerWaalsContact OG1-CA 3.26Å; T265-G303 WeakPolarHBondContact OG1-CA 3.07Å; T265-Y304 PolarHBondContact OG1-N 3.42Å
266	I	93.7	Very high	93	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-175.2	-62.8	176.1	0	0	0	109.7	F98 W101 L102 R105 F262 M263 D264 D268 Y304	F98-I266 HydrophobicContact CD2-CD1 3.73Å; F98-I266 HydrophobicContact CE2-CD1 3.62Å; W101-I266 HydrophobicContact CB-CB 4.37Å; W101-I266 HydrophobicContact CB-CD1 4Å; W101-I266 HydrophobicContact CB-CG2 3.96Å; W101-I266 VanDerWaalsContact O-CG2 3.24Å; W101-I266 WeakPolarHBondContact O-CG2 3.1Å; L102-I266 HydrophobicContact CD2-CD1 4Å; L102-I266 HydrophobicContact CG-CD1 4.19Å; R105-I266 WeakPolarHBondContact CD-O 3.49Å; R105-I266 HydrophobicContact CG-CG2 3.31Å; R105-I266 PolarHBondContact NE-O 2.86Å; R105-I266 PolarHBondContact NH1-O 3.06Å; R105-I266 VanDerWaalsContact NH1-O 3.16Å; F262-I266 HydrophobicContact CE1-CD1 4.49Å; F262-I266 HydrophobicContact CE1-CG1 4.43Å; M263-I266 HydrophobicContact CG-CD1 4.48Å; M263-I266 WeakPolarHBondContact O-CB 3.36Å; M263-I266 WeakPolarHBondContact O-CG1 3.25Å; M263-I266 PolarHBondContact O-N 3.04Å; M263-I266 VanDerWaalsContact O-N 3.08Å; D264-I266 VanDerWaalsContact C-N 3.35Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 3.24Å; I266-Y304 HydrophobicContact CG1-CD2 4.46Å
267	N	84.8	Confident	93	Very high	81 Å²	81	26.1 Å²	26.1	43%	0.433	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.6	-178.2	-71.1	-16.8	0	0	0	114.8	T265 S269	T265-N267 VanDerWaalsContact C-N 3.29Å; T265-N267 PolarHBondContact O-N 3.36Å; N267-S269 PolarHBondContact O-N 3.46Å
268	D	80.3	Confident	92.9	Very high	69 Å²	69	29.1 Å²	29.1	37%	0.369	17%	0.168	S	C	.	.			trans	49.5	26	179.2	-160.9	23.6	0	0	0	114.7	T265 I266	T265-D268 PolarHBondContact O-N 3.3Å; T265-D268 VanDerWaalsContact O-N 3.15Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 3.24Å
269	S	82.9	Confident	92.7	Very high	90 Å²	90	30.5 Å²	30.5	63%	0.629	18%	0.178	S	C	*	.	S	Bend	trans	-81.5	-27.1	-178.4	62.6	0	0	0	0	112.2	N267	N267-S269 PolarHBondContact O-N 3.46Å
270	C	86.4	Confident	92.7	Very high	31 Å²	31	32 Å²	32	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-142	89.1	178.6	-147.8	0	0	0	0	113	S272 P330 C332	C270-S272 PolarHBondContact O-N 2.84Å; C270-P330 HydrophobicContact CB-CB 3.84Å; C270-C332 HydrophobicContact CB-CB 3.69Å; C270-C332 WeakPolarHBondContact CB-SG 3.37Å; C270-C332 WeakPolarHBondContact SG-CB 3.35Å; C270-C332 CovalentContact SG-SG 1.98Å; C270-C332 PolarHBondContact SG-SG 3.44Å
271	P	89.5	Confident	92.6	Very high	64 Å²	64	33.9 Å²	33.9	42%	0.416	19%	0.194	S	C	.	.			trans	-69.1	127.2	-176	27.1	-33.9	0	0	0	111.1	R273 V301	P271-R273 PolarHBondContact O-N 2.96Å; P271-V301 HydrophobicContact CB-CG1 3.67Å; P271-V301 HydrophobicContact CB-CG2 4.39Å
272	S	92.9	Very high	92.6	Very high	8 Å²	8	35.2 Å²	35.2	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	97.4	173.7	-66.5	0	0	0	0	109.6	C270 F302	C270-S272 PolarHBondContact O-N 2.84Å; S272-F302 PolarHBondContact O-N 3.15Å
273	R	93.1	Very high	92.5	Very high	61 Å²	61	35.2 Å²	35.2	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.9	176.5	179.6	169.5	-71.4	175	20.2	110.7	P271 F275 C299 F323 L422 D423	P271-R273 PolarHBondContact O-N 2.96Å; R273-F275 HydrophobicContact CG-CE2 3.98Å; R273-F275 HydrophobicContact CG-CZ 3.95Å; R273-C299 VanDerWaalsContact CD-SG 3.53Å; R273-C299 HydrophobicContact CG-CB 3.43Å; R273-C299 VanDerWaalsContact CG-CB 3.43Å; R273-F323 VanDerWaalsContact O-CB 3.32Å; R273-F323 WeakPolarHBondContact O-CB 3.49Å; R273-L422 PolarHBondContact NH1-O 3.17Å; R273-D423 IonicContact NE-OD1 2.87Å; R273-D423 PolarHBondContact NH2-O 3.44Å
274	A	95	Very high	92.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.			trans	-110.4	145	177.2	0	0	0	0	0	111.5	F229 P300 F321 Y322 F323	F229-A274 HydrophobicContact CD1-CB 3.63Å; F229-A274 HydrophobicContact CE1-CB 3.53Å; A274-P300 PolarHBondContact N-O 2.85Å; A274-F321 HydrophobicContact CB-CB 3.82Å; A274-F321 HydrophobicContact CB-CD1 4.48Å; A274-Y322 WeakPolarHBondContact CA-O 3.32Å; A274-F323 HydrophobicContact CB-CB 4.48Å; A274-F323 HydrophobicContact CB-CD1 3.84Å
275	F	95.1	Very high	92.4	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.5	-173.8	-68.7	-85.9	0	0	0	111	R273 C277 F283 C288 F321 Y322 L422	R273-F275 HydrophobicContact CG-CE2 3.98Å; R273-F275 HydrophobicContact CG-CZ 3.95Å; F275-C277 PolarHBondContact O-N 2.91Å; F275-F283 HydrophobicContact CB-CD2 4.11Å; F275-F283 HydrophobicContact CB-CE2 4.22Å; F275-F283 HydrophobicContact CD2-CD2 4.36Å; F275-F283 AromaticContact CD2-CE2 3.64Å; F275-F283 HydrophobicContact CD2-CE2 3.64Å; F275-F283 HydrophobicContact CE2-CE2 4.4Å; F275-F283 HydrophobicContact CG-CE2 4.22Å; F275-C288 WeakPolarHBondContact CB-O 3.37Å; F275-C288 VanDerWaalsContact CD1-O 3.25Å; F275-C288 WeakPolarHBondContact CD1-O 3.47Å; F275-F321 VanDerWaalsContact O-CA 3.31Å; F275-F321 WeakPolarHBondContact O-CA 3.46Å; F275-Y322 PolarHBondContact N-O 2.92Å; F275-Y322 PolarHBondContact O-N 3.19Å; F275-L422 HydrophobicContact CE1-CD1 4.48Å; F275-L422 HydrophobicContact CZ-CB 4.16Å; F275-L422 HydrophobicContact CZ-CD1 4.03Å
276	P	94.6	Very high	92.3	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.045	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.3	175.8	29.6	-36	0	0	0	109.8	C288 F294 Q318 F321	P276-C288 WeakPolarHBondContact O-CB 3.25Å; P276-F294 HydrophobicContact CG-CE2 3.92Å; P276-F294 HydrophobicContact CG-CZ 4.43Å; P276-Q318 HydrophobicContact CB-CG 3.55Å; P276-F321 HydrophobicContact CB-CD1 4.08Å; P276-F321 HydrophobicContact CB-CE1 3.74Å; P276-F321 HydrophobicContact CB-CZ 4.18Å; P276-F321 HydrophobicContact CG-CE1 4.24Å
277	C	95.2	Very high	92.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.02	24%	0.24	C	C	.	.			trans	-150.2	159.1	-179.1	-148.7	0	0	0	0	112.2	F275 S279 D282 F283 C288 Q318 K320 Y322	F275-C277 PolarHBondContact O-N 2.91Å; C277-S279 PolarHBondContact SG-O 3.49Å; C277-S279 VanDerWaalsContact SG-O 3.35Å; C277-D282 WeakPolarHBondContact SG-CB 3.29Å; C277-F283 HydrophobicContact CB-CB 4.28Å; C277-F283 PolarHBondContact SG-N 3.03Å; C277-C288 WeakPolarHBondContact CA-SG 3.46Å; C277-C288 HydrophobicContact CB-CB 3.58Å; C277-C288 WeakPolarHBondContact CB-SG 3.49Å; C277-C288 WeakPolarHBondContact SG-CB 3.49Å; C277-C288 CovalentContact SG-SG 2.03Å; C277-C288 PolarHBondContact SG-SG 3.49Å; C277-Q318 PolarHBondContact O-NE2 3.38Å; C277-K320 PolarHBondContact N-O 2.88Å; C277-Y322 HydrophobicContact CB-CD2 3.59Å; C277-Y322 HydrophobicContact CB-CE2 4.03Å
278	S	93.3	Very high	92.7	Very high	82 Å²	82	41.4 Å²	41.4	57%	0.573	23%	0.226	S	C	*	.	S	Bend	trans	-73.3	-37.6	174.6	29.3	0	0	0	0	112.6	D282	S278-D282 PolarHBondContact OG-OD2 3.43Å
279	S	95.5	Very high	93.1	Very high	29 Å²	29	39.2 Å²	39.2	20%	0.203	21%	0.214	C	C	.	.			trans	-151.4	166.5	178.4	88.3	0	0	0	0	111.7	C277 E281 D282 F283	C277-S279 PolarHBondContact SG-O 3.49Å; C277-S279 VanDerWaalsContact SG-O 3.35Å; S279-E281 VanDerWaalsContact C-N 3.32Å; S279-E281 WeakPolarHBondContact CB-OE2 3.41Å; S279-E281 PolarHBondContact OG-N 2.86Å; S279-E281 PolarHBondContact OG-OE2 2.9Å; S279-D282 PolarHBondContact O-N 2.9Å; S279-D282 PolarHBondContact OG-N 3.31Å; S279-F283 PolarHBondContact O-N 3.29Å
280	H	96.3	Very high	93.2	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-35.5	175.2	-174.2	-128.3	0	0	0	111.9	N232 G233 D282 F283 L284 Y322 N324	N232-H280 VanDerWaalsContact C-CE1 3.47Å; G233-H280 VanDerWaalsContact CA-CG 3.46Å; G233-H280 PolarHBondContact N-CD2 3.26Å; G233-H280 PolarHBondContact N-CE1 2.04Å; G233-H280 PolarHBondContact N-NE2 3.18Å; H280-D282 PolarHBondContact O-N 2.88Å; H280-F283 AromaticContact CD2-CD1 3.73Å; H280-F283 WeakPolarHBondContact O-CB 3.45Å; H280-F283 PolarHBondContact O-N 3.39Å; H280-L284 WeakPolarHBondContact O-CG 3.37Å; H280-L284 PolarHBondContact O-N 3.39Å; H280-Y322 HydrophobicContact CB-CD1 3.76Å; H280-Y322 HydrophobicContact CB-CE1 3.73Å; H280-Y322 AromaticContact CD2-CD1 3.86Å; H280-N324 PolarHBondContact NE2-OD1 3.23Å
281	E	95.9	Very high	93	Very high	118 Å²	118	37 Å²	37	55%	0.551	20%	0.198	S	C	*	.	H	α-helix	trans	-64.3	-40.8	176.8	-58.8	79.8	-175.5	0	0	112.1	S279 F283 L284 D285	S279-E281 VanDerWaalsContact C-N 3.32Å; S279-E281 WeakPolarHBondContact CB-OE2 3.41Å; S279-E281 PolarHBondContact OG-N 2.86Å; S279-E281 PolarHBondContact OG-OE2 2.9Å; E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 PolarHBondContact O-N 3.01Å; E281-L284 PolarHBondContact O-N 3.43Å; E281-D285 VanDerWaalsContact O-CB 3.26Å; E281-D285 WeakPolarHBondContact O-CB 3.4Å; E281-D285 PolarHBondContact O-N 3.47Å
282	D	95.9	Very high	92.8	Very high	32 Å²	32	40.5 Å²	40.5	17%	0.171	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-34.6	174.7	-79.5	-30.6	0	0	0	111.5	C277 S278 S279 H280 G286 R287	C277-D282 WeakPolarHBondContact SG-CB 3.29Å; S278-D282 PolarHBondContact OG-OD2 3.43Å; S279-D282 PolarHBondContact O-N 2.9Å; S279-D282 PolarHBondContact OG-N 3.31Å; H280-D282 PolarHBondContact O-N 2.88Å; D282-G286 PolarHBondContact O-N 2.87Å; D282-R287 WeakPolarHBondContact O-CB 3.44Å; D282-R287 PolarHBondContact O-N 3.35Å; D282-R287 WeakPolarHBondContact OD1-CD 3.5Å; D282-R287 IonicContact OD1-CZ 3.4Å; D282-R287 IonicContact OD1-NE 3.66Å; D282-R287 PolarHBondContact OD1-NE 3.28Å; D282-R287 IonicContact OD1-NH1 3.92Å; D282-R287 PolarHBondContact OD1-NH1 3.16Å; D282-R287 IonicContact OD1-NH2 3.04Å
283	F	95.8	Very high	92.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-49.7	173.7	164.2	-106.2	0	0	0	111.3	F275 C277 S279 H280 E281 D285 G286 Y322 L383 M385	F275-F283 HydrophobicContact CB-CD2 4.11Å; F275-F283 HydrophobicContact CB-CE2 4.22Å; F275-F283 HydrophobicContact CD2-CD2 4.36Å; F275-F283 AromaticContact CD2-CE2 3.64Å; F275-F283 HydrophobicContact CD2-CE2 3.64Å; F275-F283 HydrophobicContact CE2-CE2 4.4Å; F275-F283 HydrophobicContact CG-CE2 4.22Å; C277-F283 HydrophobicContact CB-CB 4.28Å; C277-F283 PolarHBondContact SG-N 3.03Å; S279-F283 PolarHBondContact O-N 3.29Å; H280-F283 AromaticContact CD2-CD1 3.73Å; H280-F283 WeakPolarHBondContact O-CB 3.45Å; H280-F283 PolarHBondContact O-N 3.39Å; E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 PolarHBondContact O-N 3.01Å; F283-D285 VanDerWaalsContact C-N 3.32Å; F283-D285 PolarHBondContact O-N 3.16Å; F283-G286 WeakPolarHBondContact O-CA 3.31Å; F283-G286 PolarHBondContact O-N 3.05Å; F283-Y322 HydrophobicContact CB-CG 4.41Å; F283-L383 HydrophobicContact CD1-CD2 4.41Å; F283-L383 HydrophobicContact CD2-CD2 4.12Å; F283-L383 HydrophobicContact CE1-CD2 3.91Å; F283-L383 HydrophobicContact CE2-CD2 3.55Å; F283-L383 HydrophobicContact CZ-CD2 3.45Å; F283-L383 VanDerWaalsContact CZ-CD2 3.45Å; F283-M385 HydrophobicContact CE1-SD 4.37Å; F283-M385 HydrophobicContact CZ-SD 4.3Å
284	L	95.4	Very high	91.9	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-34.4	176.9	-65.4	178.7	0	0	0	112.7	H280 E281 G286 H369 M385	H280-L284 WeakPolarHBondContact O-CG 3.37Å; H280-L284 PolarHBondContact O-N 3.39Å; E281-L284 PolarHBondContact O-N 3.43Å; L284-G286 PolarHBondContact O-N 2.9Å; L284-G286 VanDerWaalsContact O-N 3.12Å; L284-H369 VanDerWaalsContact C-CE1 3.44Å; L284-H369 HydrophobicContact CD1-CB 4.01Å; L284-H369 PolarHBondContact O-CE1 2.86Å; L284-M385 HydrophobicContact CD2-CE 3.82Å
285	D	93.9	Very high	91.5	Very high	31 Å²	31	47.4 Å²	47.4	17%	0.166	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-1.5	171.9	-82.2	5	0	0	0	112.6	E281 F283 R287 H369 K370	E281-D285 VanDerWaalsContact O-CB 3.26Å; E281-D285 WeakPolarHBondContact O-CB 3.4Å; E281-D285 PolarHBondContact O-N 3.47Å; F283-D285 VanDerWaalsContact C-N 3.32Å; F283-D285 PolarHBondContact O-N 3.16Å; D285-R287 VanDerWaalsContact C-N 3.34Å; D285-R287 HydrophobicContact CB-CG 4.01Å; D285-R287 PolarHBondContact O-N 3.02Å; D285-R287 IonicContact OD2-CZ 3.56Å; D285-R287 IonicContact OD2-NE 3.67Å; D285-R287 IonicContact OD2-NH2 2.62Å; D285-R287 PolarHBondContact OD2-NH2 2.85Å; D285-H369 IonicContact OD1-CD2 2.81Å; D285-H369 IonicContact OD1-CE1 3.44Å; D285-H369 IonicContact OD1-NE2 3.33Å; D285-H369 PolarHBondContact OD1-NE2 3.43Å; D285-K370 IonicContact OD1-NZ 3.57Å; D285-K370 IonicContact OD2-NZ 2.66Å; D285-K370 PolarHBondContact OD2-NZ 3.27Å
286	G	93.8	Very high	90.9	Very high	9 Å²	9	57.2 Å²	57.2	9%	0.093	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	20.3	177	0	0	0	0	0	114.1	D282 F283 L284 M289	D282-G286 PolarHBondContact O-N 2.87Å; F283-G286 WeakPolarHBondContact O-CA 3.31Å; F283-G286 PolarHBondContact O-N 3.05Å; L284-G286 PolarHBondContact O-N 2.9Å; L284-G286 VanDerWaalsContact O-N 3.12Å; G286-M289 WeakPolarHBondContact O-CE 3.37Å
287	R	93.9	Very high	90.3	Very high	155 Å²	155	59 Å²	59	59%	0.585	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-14	-175	-55.6	-175.3	-164.5	173.1	4.4	113.8	D282 D285	D282-R287 WeakPolarHBondContact O-CB 3.44Å; D282-R287 PolarHBondContact O-N 3.35Å; D282-R287 WeakPolarHBondContact OD1-CD 3.5Å; D282-R287 IonicContact OD1-CZ 3.4Å; D282-R287 IonicContact OD1-NE 3.66Å; D282-R287 PolarHBondContact OD1-NE 3.28Å; D282-R287 IonicContact OD1-NH1 3.92Å; D282-R287 PolarHBondContact OD1-NH1 3.16Å; D282-R287 IonicContact OD1-NH2 3.04Å; D285-R287 VanDerWaalsContact C-N 3.34Å; D285-R287 HydrophobicContact CB-CG 4.01Å; D285-R287 PolarHBondContact O-N 3.02Å; D285-R287 IonicContact OD2-CZ 3.56Å; D285-R287 IonicContact OD2-NE 3.67Å; D285-R287 IonicContact OD2-NH2 2.62Å; D285-R287 PolarHBondContact OD2-NH2 2.85Å
288	C	92.7	Very high	89.9	Confident	20 Å²	20	60.1 Å²	60.1	14%	0.135	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	23.8	-168.4	-65.9	0	0	0	0	113.8	F275 P276 C277 S290	F275-C288 WeakPolarHBondContact CB-O 3.37Å; F275-C288 VanDerWaalsContact CD1-O 3.25Å; F275-C288 WeakPolarHBondContact CD1-O 3.47Å; P276-C288 WeakPolarHBondContact O-CB 3.25Å; C277-C288 WeakPolarHBondContact CA-SG 3.46Å; C277-C288 HydrophobicContact CB-CB 3.58Å; C277-C288 WeakPolarHBondContact CB-SG 3.49Å; C277-C288 WeakPolarHBondContact SG-CB 3.49Å; C277-C288 CovalentContact SG-SG 2.03Å; C277-C288 PolarHBondContact SG-SG 3.49Å; C288-S290 VanDerWaalsContact C-N 3.26Å; C288-S290 PolarHBondContact O-N 3.44Å
289	M	88.5	Confident	89.8	Confident	24 Å²	24	56.6 Å²	56.6	12%	0.118	30%	0.304	C	S	.	.			trans	-84.1	15.2	-172.4	-58.8	-176	-72.9	0	0	114.9	G286 R337 T381 L383 L422	G286-M289 WeakPolarHBondContact O-CE 3.37Å; M289-R337 HydrophobicContact CE-CB 3.81Å; M289-R337 HydrophobicContact CE-CG 3.74Å; M289-R337 HydrophobicContact SD-CB 3.81Å; M289-R337 HydrophobicContact SD-CG 4.4Å; M289-T381 HydrophobicContact CE-CG2 3.24Å; M289-L383 HydrophobicContact CG-CD1 4.35Å; M289-L383 HydrophobicContact SD-CB 4.01Å; M289-L383 HydrophobicContact SD-CD1 3.75Å; M289-L383 HydrophobicContact SD-CG 4.45Å; M289-L422 HydrophobicContact CB-CD1 3.84Å; M289-L422 HydrophobicContact CB-CD2 4.18Å; M289-L422 HydrophobicContact CG-CD1 3.85Å; M289-L422 HydrophobicContact SD-CD1 3.69Å
290	S	84.8	Confident	89.7	Confident	60 Å²	60	55.2 Å²	55.2	42%	0.42	29%	0.294	S	S	.	.			trans	-114.7	142.6	176.8	166.3	0	0	0	0	111.1	C288 D292	C288-S290 VanDerWaalsContact C-N 3.26Å; C288-S290 PolarHBondContact O-N 3.44Å; S290-D292 PolarHBondContact OG-N 2.68Å; S290-D292 PolarHBondContact OG-OD2 3.49Å
291	C	82.9	Confident	89.6	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.088	29%	0.294	C	S	.	.			trans	-127.4	24.6	176.7	-68.8	0	0	0	0	112.2	R293 F294 C299	C291-R293 PolarHBondContact O-N 3.49Å; C291-R293 VanDerWaalsContact O-N 3.08Å; C291-F294 HydrophobicContact CB-CD2 3.84Å; C291-F294 HydrophobicContact CB-CE2 4.48Å; C291-F294 PolarHBondContact O-N 3.31Å; C291-C299 HydrophobicContact CB-CB 3.79Å; C291-C299 WeakPolarHBondContact CB-SG 3.03Å; C291-C299 WeakPolarHBondContact SG-CA 3.23Å; C291-C299 WeakPolarHBondContact SG-CB 3.18Å; C291-C299 CovalentContact SG-SG 1.99Å; C291-C299 PolarHBondContact SG-SG 3.15Å
292	D	84.6	Confident	89.6	Confident	139 Å²	139	49.4 Å²	49.4	74%	0.743	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-57.3	-29.2	-178.6	-57.7	-33.1	0	0	0	111.7	S290 F294 G295	S290-D292 PolarHBondContact OG-N 2.68Å; S290-D292 PolarHBondContact OG-OD2 3.49Å; D292-F294 PolarHBondContact O-N 3.38Å; D292-F294 VanDerWaalsContact O-N 3.16Å; D292-G295 PolarHBondContact O-N 3.34Å
293	R	82.6	Confident	89.6	Confident	152 Å²	152	47.9 Å²	47.9	57%	0.574	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19.8	175.7	71	174.4	63.9	178.4	1.1	114.6	C291	C291-R293 PolarHBondContact O-N 3.49Å; C291-R293 VanDerWaalsContact O-N 3.08Å
294	F	84.9	Confident	89.6	Confident	9 Å²	9	49 Å²	49	4%	0.039	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-95.7	3.8	177.3	-57.6	-76.9	0	0	0	112.3	P276 C291 D292 E296 A297 G298 P300 V312 L313 F321	P276-F294 HydrophobicContact CG-CE2 3.92Å; P276-F294 HydrophobicContact CG-CZ 4.43Å; C291-F294 HydrophobicContact CB-CD2 3.84Å; C291-F294 HydrophobicContact CB-CE2 4.48Å; C291-F294 PolarHBondContact O-N 3.31Å; D292-F294 PolarHBondContact O-N 3.38Å; D292-F294 VanDerWaalsContact O-N 3.16Å; F294-E296 PolarHBondContact O-N 2.95Å; F294-A297 WeakPolarHBondContact O-CB 3.34Å; F294-A297 PolarHBondContact O-N 3.09Å; F294-A297 VanDerWaalsContact O-N 3.11Å; F294-G298 WeakPolarHBondContact CB-O 3.4Å; F294-G298 WeakPolarHBondContact CG-O 3.48Å; F294-P300 HydrophobicContact CD1-CG 4.37Å; F294-P300 HydrophobicContact CE1-CG 4.03Å; F294-P300 HydrophobicContact CE2-CG 4.37Å; F294-P300 HydrophobicContact CZ-CG 4.06Å; F294-V312 HydrophobicContact CD1-CG1 3.69Å; F294-V312 HydrophobicContact CE1-CG1 4.37Å; F294-L313 HydrophobicContact CE1-CD2 4.06Å; F294-F321 HydrophobicContact CE1-CE1 4.38Å; F294-F321 HydrophobicContact CE1-CZ 4.2Å; F294-F321 AromaticContact CE2-CE1 3.98Å; F294-F321 HydrophobicContact CE2-CE1 3.98Å; F294-F321 HydrophobicContact CE2-CZ 4.48Å; F294-F321 AromaticContact CZ-CE1 3.49Å; F294-F321 HydrophobicContact CZ-CE1 3.49Å; F294-F321 VanDerWaalsContact CZ-CE1 3.49Å; F294-F321 AromaticContact CZ-CZ 3.56Å; F294-F321 HydrophobicContact CZ-CZ 3.56Å
295	G	84.9	Confident	89.6	Confident	53 Å²	53	48.7 Å²	48.7	55%	0.546	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	54.7	-132.3	177.3	0	0	0	0	0	112.6	D292 A297 G298	D292-G295 PolarHBondContact O-N 3.34Å; G295-A297 PolarHBondContact O-N 2.89Å; G295-G298 PolarHBondContact O-N 3.29Å
296	E	83.3	Confident	89.7	Confident	208 Å²	208	47.2 Å²	47.2	97%	0.972	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.8	-179.6	-61.6	-167.7	148.7	0	0	113.6	F294 G298	F294-E296 PolarHBondContact O-N 2.95Å; E296-G298 PolarHBondContact O-N 3.48Å
297	A	82.2	Confident	89.8	Confident	45 Å²	45	49.9 Å²	49.9	37%	0.372	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.5	-23.7	177.9	0	0	0	0	0	112.1	F294 G295 W309	F294-A297 WeakPolarHBondContact O-CB 3.34Å; F294-A297 PolarHBondContact O-N 3.09Å; F294-A297 VanDerWaalsContact O-N 3.11Å; G295-A297 PolarHBondContact O-N 2.89Å; A297-W309 WeakPolarHBondContact O-CZ2 3.45Å; A297-W309 PolarHBondContact O-NE1 3.17Å
298	G	87.6	Confident	89.8	Confident	25 Å²	25	50 Å²	50	26%	0.258	27%	0.267	S	S	.	.			trans	62.5	-169.3	-176.9	0	0	0	0	0	113	F294 G295 E296 W309	F294-G298 WeakPolarHBondContact CB-O 3.4Å; F294-G298 WeakPolarHBondContact CG-O 3.48Å; G295-G298 PolarHBondContact O-N 3.29Å; E296-G298 PolarHBondContact O-N 3.48Å; G298-W309 PolarHBondContact O-NE1 2.94Å
299	C	90	Very high	89.9	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.061	27%	0.265	C	S	.	.	S	Bend	trans	-60.4	138.7	-179.4	-57	0	0	0	0	111.8	R273 C291 V301 W309	R273-C299 VanDerWaalsContact CD-SG 3.53Å; R273-C299 HydrophobicContact CG-CB 3.43Å; R273-C299 VanDerWaalsContact CG-CB 3.43Å; C291-C299 HydrophobicContact CB-CB 3.79Å; C291-C299 WeakPolarHBondContact CB-SG 3.03Å; C291-C299 WeakPolarHBondContact SG-CA 3.23Å; C291-C299 WeakPolarHBondContact SG-CB 3.18Å; C291-C299 CovalentContact SG-SG 1.99Å; C291-C299 PolarHBondContact SG-SG 3.15Å; C299-V301 PolarHBondContact O-N 3.01Å; C299-W309 WeakPolarHBondContact O-CZ2 3.13Å
300	P	93.6	Very high	90.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-53.4	137.1	168.1	-27.1	36.6	0	0	0	112.1	I227 A274 F294 W309 L313 F321	I227-P300 HydrophobicContact CD1-CB 3.85Å; I227-P300 HydrophobicContact CD1-CG 4.16Å; A274-P300 PolarHBondContact N-O 2.85Å; F294-P300 HydrophobicContact CD1-CG 4.37Å; F294-P300 HydrophobicContact CE1-CG 4.03Å; F294-P300 HydrophobicContact CE2-CG 4.37Å; F294-P300 HydrophobicContact CZ-CG 4.06Å; P300-W309 HydrophobicContact CB-CD2 4.34Å; P300-W309 HydrophobicContact CB-CG 4.23Å; P300-W309 HydrophobicContact CG-CG 4.18Å; P300-L313 HydrophobicContact CG-CD2 4.28Å; P300-F321 HydrophobicContact CB-CE1 4.42Å; P300-F321 HydrophobicContact CG-CD1 4.23Å; P300-F321 HydrophobicContact CG-CE1 3.62Å; P300-F321 HydrophobicContact CG-CZ 4.13Å
301	V	94.3	Very high	90.5	Very high	24 Å²	24	53.8 Å²	53.8	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128	169.8	177.3	0	0	0	0	107.6	P271 C299 V306 W309	P271-V301 HydrophobicContact CB-CG1 3.67Å; P271-V301 HydrophobicContact CB-CG2 4.39Å; C299-V301 PolarHBondContact O-N 3.01Å; V301-V306 WeakPolarHBondContact O-CB 3.34Å; V301-W309 HydrophobicContact CB-CH2 3.91Å; V301-W309 HydrophobicContact CB-CZ3 4.1Å; V301-W309 HydrophobicContact CG2-CH2 3.72Å; V301-W309 HydrophobicContact CG2-CZ2 4.31Å; V301-W309 HydrophobicContact CG2-CZ3 4.42Å
302	F	96.1	Very high	91	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.3	175.6	159.6	-107.8	0	0	0	110.7	L211 F229 L261 F262 T265 S272 F323	L211-F302 HydrophobicContact CB-CE2 4.14Å; L211-F302 HydrophobicContact CD1-CD2 3.98Å; L211-F302 HydrophobicContact CD1-CE2 3.53Å; L211-F302 HydrophobicContact CD1-CZ 3.94Å; L211-F302 HydrophobicContact CD2-CE2 3.62Å; L211-F302 HydrophobicContact CD2-CZ 3.45Å; L211-F302 VanDerWaalsContact CD2-CZ 3.45Å; L211-F302 HydrophobicContact CG-CE2 3.97Å; L211-F302 HydrophobicContact CG-CZ 4.25Å; F229-F302 HydrophobicContact CB-CD2 4.2Å; F229-F302 HydrophobicContact CD1-CB 3.91Å; F229-F302 HydrophobicContact CD1-CD2 4.23Å; F229-F302 HydrophobicContact CD1-CG 4.48Å; F229-F302 AromaticContact CD2-CD2 3.74Å; F229-F302 HydrophobicContact CD2-CD2 3.74Å; F229-F302 HydrophobicContact CE1-CB 3.83Å; F229-F302 HydrophobicContact CE2-CD2 4.1Å; F229-F302 HydrophobicContact CG-CB 4.36Å; F229-F302 AromaticContact CG-CD2 3.8Å; F229-F302 HydrophobicContact CG-CD2 3.8Å; F229-F302 HydrophobicContact CG-CG 4.47Å; F229-F302 HydrophobicContact CZ-CB 4.2Å; F229-F302 HydrophobicContact CZ-CD2 4.48Å; L261-F302 HydrophobicContact CB-CE1 3.79Å; L261-F302 HydrophobicContact CB-CZ 3.99Å; F262-F302 HydrophobicContact CB-CZ 4.27Å; T265-F302 HydrophobicContact CG2-CD1 3.72Å; T265-F302 HydrophobicContact CG2-CE1 3.53Å; T265-F302 HydrophobicContact CG2-CZ 4.34Å; T265-F302 WeakPolarHBondContact CG2-O 3.37Å; S272-F302 PolarHBondContact O-N 3.15Å; F302-F323 HydrophobicContact CB-CD1 4.43Å; F302-F323 HydrophobicContact CB-CE1 3.7Å; F302-F323 HydrophobicContact CB-CZ 3.83Å; F302-F323 HydrophobicContact CD1-CE1 4.18Å; F302-F323 HydrophobicContact CD1-CE2 4.11Å; F302-F323 AromaticContact CD1-CZ 3.46Å; F302-F323 HydrophobicContact CD1-CZ 3.46Å; F302-F323 VanDerWaalsContact CD1-CZ 3.46Å; F302-F323 HydrophobicContact CD2-CE1 4.33Å; F302-F323 HydrophobicContact CD2-CZ 4.26Å; F302-F323 HydrophobicContact CE1-CZ 4.14Å; F302-F323 AromaticContact CG-CE1 3.78Å; F302-F323 HydrophobicContact CG-CE1 3.78Å; F302-F323 HydrophobicContact CG-CE2 4.5Å; F302-F323 AromaticContact CG-CZ 3.54Å; F302-F323 HydrophobicContact CG-CZ 3.54Å
303	G	95.7	Very high	91.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	114.2	-147.8	164.2	0	0	0	0	0	115.5	R180 T265 D305 V306	R180-G303 PolarHBondContact NH2-O 3.49Å; T265-G303 VanDerWaalsContact OG1-CA 3.26Å; T265-G303 WeakPolarHBondContact OG1-CA 3.07Å; G303-D305 VanDerWaalsContact C-N 3.29Å; G303-D305 PolarHBondContact O-N 2.66Å; G303-V306 WeakPolarHBondContact O-CB 3.4Å; G303-V306 WeakPolarHBondContact O-CG1 3.32Å; G303-V306 PolarHBondContact O-N 2.95Å
304	Y	96	Very high	91.9	Very high	23 Å²	23	45.1 Å²	45.1	9%	0.09	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.1	-40.3	-171.9	-170.7	-94.2	0	0	0	112.8	L102 M108 R180 F262 T265 I266 V306	L102-Y304 HydrophobicContact CD2-CD2 3.99Å; L102-Y304 HydrophobicContact CD2-CE2 3.57Å; M108-Y304 WeakPolarHBondContact CE-OH 3.06Å; R180-Y304 PolarHBondContact NH1-O 3.39Å; F262-Y304 HydrophobicContact CE1-CD2 4.31Å; F262-Y304 AromaticContact CZ-CD2 3.99Å; F262-Y304 HydrophobicContact CZ-CD2 3.99Å; T265-Y304 PolarHBondContact OG1-N 3.42Å; I266-Y304 HydrophobicContact CG1-CD2 4.46Å; Y304-V306 PolarHBondContact O-N 2.53Å
305	D	95.2	Very high	92	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.107	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-87	3.6	-175.8	-78.2	-57.1	0	0	0	115.1	R105 G303 I307 R308	R105-D305 IonicContact CZ-OD2 2.81Å; R105-D305 IonicContact NH2-OD1 2.83Å; R105-D305 PolarHBondContact NH2-OD1 2.92Å; R105-D305 IonicContact NH2-OD2 3.4Å; R105-D305 PolarHBondContact NH2-OD2 2.87Å; G303-D305 VanDerWaalsContact C-N 3.29Å; G303-D305 PolarHBondContact O-N 2.66Å; D305-I307 PolarHBondContact O-N 2.62Å; D305-R308 WeakPolarHBondContact O-CB 3.28Å; D305-R308 VanDerWaalsContact O-CG 3.31Å; D305-R308 WeakPolarHBondContact O-CG 3.03Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 VanDerWaalsContact O-N 3.12Å; D305-R308 IonicContact OD1-CZ 3.48Å; D305-R308 IonicContact OD1-NE 3.92Å; D305-R308 PolarHBondContact OD1-NE 3.2Å; D305-R308 IonicContact OD1-NH2 3.16Å; D305-R308 PolarHBondContact OD1-NH2 3.06Å; D305-R308 IonicContact OD2-NH2 3.6Å; D305-R308 PolarHBondContact OD2-NH2 2.97Å
306	V	96.2	Very high	92.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-60.8	-21.1	-179.8	72.7	0	0	0	0	113.3	F207 D209 I227 F229 V301 G303 Y304 R308 W309 L313	F207-V306 HydrophobicContact CE1-CG1 3.98Å; F207-V306 HydrophobicContact CZ-CG1 4.48Å; D209-V306 HydrophobicContact CB-CG1 4.06Å; I227-V306 HydrophobicContact CD1-CG2 4.36Å; I227-V306 HydrophobicContact CG2-CG2 4.31Å; F229-V306 HydrophobicContact CE2-CG2 4.02Å; F229-V306 HydrophobicContact CZ-CB 4.48Å; F229-V306 HydrophobicContact CZ-CG2 3.65Å; V301-V306 WeakPolarHBondContact O-CB 3.34Å; G303-V306 WeakPolarHBondContact O-CB 3.4Å; G303-V306 WeakPolarHBondContact O-CG1 3.32Å; G303-V306 PolarHBondContact O-N 2.95Å; Y304-V306 PolarHBondContact O-N 2.53Å; V306-R308 PolarHBondContact O-N 2.78Å; V306-W309 PolarHBondContact O-N 2.86Å; V306-L313 HydrophobicContact CG2-CD1 4.43Å
307	I	94.9	Very high	92.2	Very high	64 Å²	64	49.9 Å²	49.9	33%	0.328	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.5	-23.8	175.4	-166.4	64.6	0	0	0	113	F207 D305 W309 K310	F207-I307 HydrophobicContact CB-CD1 4.12Å; F207-I307 HydrophobicContact CD1-CD1 3.58Å; F207-I307 HydrophobicContact CE1-CD1 4.27Å; F207-I307 HydrophobicContact CG-CD1 4.05Å; D305-I307 PolarHBondContact O-N 2.62Å; I307-W309 PolarHBondContact O-N 2.93Å; I307-W309 VanDerWaalsContact O-N 3.15Å; I307-K310 HydrophobicContact CD1-CB 4.12Å; I307-K310 HydrophobicContact CD1-CD 3.91Å; I307-K310 HydrophobicContact CD1-CG 4.47Å; I307-K310 VanDerWaalsContact O-CB 3.23Å; I307-K310 WeakPolarHBondContact O-CB 3.35Å; I307-K310 PolarHBondContact O-N 2.77Å
308	R	94	Very high	92.5	Very high	157 Å²	157	49.9 Å²	49.9	59%	0.592	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19.3	174.5	-62	176.4	-168.1	177.8	8.7	113.3	D305 V306	D305-R308 WeakPolarHBondContact O-CB 3.28Å; D305-R308 VanDerWaalsContact O-CG 3.31Å; D305-R308 WeakPolarHBondContact O-CG 3.03Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 VanDerWaalsContact O-N 3.12Å; D305-R308 IonicContact OD1-CZ 3.48Å; D305-R308 IonicContact OD1-NE 3.92Å; D305-R308 PolarHBondContact OD1-NE 3.2Å; D305-R308 IonicContact OD1-NH2 3.16Å; D305-R308 PolarHBondContact OD1-NH2 3.06Å; D305-R308 IonicContact OD2-NH2 3.6Å; D305-R308 PolarHBondContact OD2-NH2 2.97Å; V306-R308 PolarHBondContact O-N 2.78Å
309	W	94.9	Very high	92.7	Very high	24 Å²	24	50.7 Å²	50.7	9%	0.091	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-99.7	4.1	176.5	-72.3	-98.1	0	0	0	113.7	A297 G298 C299 P300 V301 V306 I307 D311 V312 L313	A297-W309 WeakPolarHBondContact O-CZ2 3.45Å; A297-W309 PolarHBondContact O-NE1 3.17Å; G298-W309 PolarHBondContact O-NE1 2.94Å; C299-W309 WeakPolarHBondContact O-CZ2 3.13Å; P300-W309 HydrophobicContact CB-CD2 4.34Å; P300-W309 HydrophobicContact CB-CG 4.23Å; P300-W309 HydrophobicContact CG-CG 4.18Å; V301-W309 HydrophobicContact CB-CH2 3.91Å; V301-W309 HydrophobicContact CB-CZ3 4.1Å; V301-W309 HydrophobicContact CG2-CH2 3.72Å; V301-W309 HydrophobicContact CG2-CZ2 4.31Å; V301-W309 HydrophobicContact CG2-CZ3 4.42Å; V306-W309 PolarHBondContact O-N 2.86Å; I307-W309 PolarHBondContact O-N 2.93Å; I307-W309 VanDerWaalsContact O-N 3.15Å; W309-D311 PolarHBondContact O-N 3.02Å; W309-V312 PolarHBondContact O-N 3.28Å; W309-L313 HydrophobicContact CB-CD1 3.53Å; W309-L313 HydrophobicContact CB-CG 3.93Å; W309-L313 WeakPolarHBondContact O-CB 3.29Å; W309-L313 VanDerWaalsContact O-CG 3.3Å; W309-L313 WeakPolarHBondContact O-CG 3.27Å; W309-L313 PolarHBondContact O-N 3.07Å
310	K	94.6	Very high	93.1	Very high	44 Å²	44	53.7 Å²	53.7	19%	0.191	27%	0.265	C	S	.	.	H	α-helix	trans	-47.1	-53.8	-175.6	175	178.7	174.9	178.2	0	113	Q206 F207 I307 V312 L313 N314	Q206-K310 WeakPolarHBondContact O-CE 2.79Å; F207-K310 HydrophobicContact CB-CD 3.99Å; F207-K310 HydrophobicContact CB-CG 4.02Å; F207-K310 HydrophobicContact CD2-CB 4.12Å; F207-K310 HydrophobicContact CD2-CG 3.9Å; F207-K310 HydrophobicContact CE2-CB 4.43Å; F207-K310 HydrophobicContact CG-CB 4.29Å; F207-K310 HydrophobicContact CG-CD 4.43Å; F207-K310 HydrophobicContact CG-CG 4.04Å; I307-K310 HydrophobicContact CD1-CB 4.12Å; I307-K310 HydrophobicContact CD1-CD 3.91Å; I307-K310 HydrophobicContact CD1-CG 4.47Å; I307-K310 VanDerWaalsContact O-CB 3.23Å; I307-K310 WeakPolarHBondContact O-CB 3.35Å; I307-K310 PolarHBondContact O-N 2.77Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 2.81Å; K310-L313 PolarHBondContact O-N 3.1Å; K310-N314 WeakPolarHBondContact O-CB 3.29Å; K310-N314 PolarHBondContact O-N 3.39Å; K310-N314 PolarHBondContact O-OD1 3.24Å
311	D	92.6	Very high	93.2	Very high	117 Å²	117	53.7 Å²	53.7	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-65.4	-37.9	-173.1	-61.8	-31	0	0	0	112.4	W309 Q315	W309-D311 PolarHBondContact O-N 3.02Å; D311-Q315 WeakPolarHBondContact O-CG 3.31Å
312	V	92.6	Very high	93.4	Very high	54 Å²	54	53.3 Å²	53.3	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-74.2	-38.5	178.2	-174.1	0	0	0	0	111	F294 W309 K310 Q315 S316	F294-V312 HydrophobicContact CD1-CG1 3.69Å; F294-V312 HydrophobicContact CE1-CG1 4.37Å; W309-V312 PolarHBondContact O-N 3.28Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 2.81Å; V312-Q315 PolarHBondContact O-N 3.39Å; V312-S316 PolarHBondContact O-N 2.03Å
313	L	93.8	Very high	93.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-71.8	-35.8	179.8	-70.3	169.4	0	0	0	112.2	F207 I227 F294 P300 V306 W309 K310 Q315 S316 F321	F207-L313 HydrophobicContact CE2-CB 4.07Å; F207-L313 HydrophobicContact CE2-CD1 3.94Å; F207-L313 HydrophobicContact CZ-CD1 3.83Å; I227-L313 HydrophobicContact CB-CD1 4Å; I227-L313 HydrophobicContact CB-CD2 4.37Å; I227-L313 HydrophobicContact CD1-CD1 3.75Å; I227-L313 HydrophobicContact CD1-CD2 3.91Å; I227-L313 HydrophobicContact CG1-CD1 4.48Å; I227-L313 HydrophobicContact CG2-CD1 3.99Å; F294-L313 HydrophobicContact CE1-CD2 4.06Å; P300-L313 HydrophobicContact CG-CD2 4.28Å; V306-L313 HydrophobicContact CG2-CD1 4.43Å; W309-L313 HydrophobicContact CB-CD1 3.53Å; W309-L313 HydrophobicContact CB-CG 3.93Å; W309-L313 WeakPolarHBondContact O-CB 3.29Å; W309-L313 VanDerWaalsContact O-CG 3.3Å; W309-L313 WeakPolarHBondContact O-CG 3.27Å; W309-L313 PolarHBondContact O-N 3.07Å; K310-L313 PolarHBondContact O-N 3.1Å; L313-Q315 PolarHBondContact O-N 2.85Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.15Å; L313-F321 HydrophobicContact CD2-CE2 4.16Å; L313-F321 HydrophobicContact CD2-CZ 3.84Å
314	N	91.6	Very high	93.5	Very high	65 Å²	65	54.5 Å²	54.5	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-20.9	176.1	-75.6	5.6	0	0	0	113	Q206 H226 K310	Q206-N314 PolarHBondContact O-ND2 3.14Å; H226-N314 PolarHBondContact CD2-OD1 2.83Å; K310-N314 WeakPolarHBondContact O-CB 3.29Å; K310-N314 PolarHBondContact O-N 3.39Å; K310-N314 PolarHBondContact O-OD1 3.24Å
315	Q	88.5	Confident	93.5	Very high	170 Å²	170	53.7 Å²	53.7	79%	0.794	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.7	176.5	-62.2	174.6	14.6	0	0	112.6	D311 V312 L313	D311-Q315 WeakPolarHBondContact O-CG 3.31Å; V312-Q315 PolarHBondContact O-N 3.39Å; L313-Q315 PolarHBondContact O-N 2.85Å
316	S	85.6	Confident	93.5	Very high	31 Å²	31	54.1 Å²	54.1	22%	0.217	27%	0.268	C	S	.	.			trans	-96.3	133.9	-173.7	173.5	0	0	0	0	111.4	V312 L313 Q318	V312-S316 PolarHBondContact O-N 2.03Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.15Å; S316-Q318 VanDerWaalsContact C-N 3.26Å; S316-Q318 WeakPolarHBondContact OG-CB 3.47Å; S316-Q318 PolarHBondContact OG-N 2.76Å; S316-Q318 PolarHBondContact OG-O 3.42Å; S316-Q318 VanDerWaalsContact OG-O 3.13Å
317	N	85.9	Confident	93.3	Very high	169 Å²	169	56.2 Å²	56.2	90%	0.904	28%	0.282	S	S	*	.	S	Bend	trans	-81.1	-7.4	167.5	-68	-20.4	0	0	0	112.8
318	Q	88.4	Confident	93.2	Very high	45 Å²	45	59.3 Å²	59.3	21%	0.21	30%	0.295	C	S	.	.			trans	-89.7	112	176.4	178.1	76	48.1	0	0	109.6	P276 C277 S316 K320 F321	P276-Q318 HydrophobicContact CB-CG 3.55Å; C277-Q318 PolarHBondContact O-NE2 3.38Å; S316-Q318 VanDerWaalsContact C-N 3.26Å; S316-Q318 WeakPolarHBondContact OG-CB 3.47Å; S316-Q318 PolarHBondContact OG-N 2.76Å; S316-Q318 PolarHBondContact OG-O 3.42Å; S316-Q318 VanDerWaalsContact OG-O 3.13Å; Q318-K320 PolarHBondContact NE2-O 3.26Å; Q318-F321 HydrophobicContact CG-CE2 4.19Å; Q318-F321 HydrophobicContact CG-CZ 4.2Å; Q318-F321 WeakPolarHBondContact O-CE2 3.17Å
319	T	93.1	Very high	93	Very high	42 Å²	42	55.2 Å²	55.2	26%	0.258	29%	0.29	S	S	.	.			trans	-104.7	-28.4	178.3	56.6	0	0	0	0	113.3	D228 F321	D228-T319 PolarHBondContact N-O 3.1Å; T319-F321 VanDerWaalsContact O-CD2 3.25Å; T319-F321 WeakPolarHBondContact O-CD2 3.23Å
320	K	96.7	Very high	92.9	Very high	72 Å²	72	57.2 Å²	57.2	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.6	-176	-60.6	-172	-180	-179.4	0	113.4	P223 Y230 C277 Q318 Y322	P223-K320 HydrophobicContact CG-CD 4.31Å; P223-K320 VanDerWaalsContact CG-CE 3.43Å; P223-K320 HydrophobicContact CG-CG 3.87Å; Y230-K320 HydrophobicContact CE2-CB 4.22Å; Y230-K320 HydrophobicContact CE2-CD 4.32Å; Y230-K320 HydrophobicContact CE2-CG 3.93Å; C277-K320 PolarHBondContact N-O 2.88Å; Q318-K320 PolarHBondContact NE2-O 3.26Å; K320-Y322 HydrophobicContact CB-CE2 4.13Å
321	F	97.3	Very high	92.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.8	177.5	-67	-107.2	0	0	0	111.3	I227 D228 F229 Y230 A274 F275 P276 F294 P300 L313 Q318 T319	I227-F321 HydrophobicContact CD1-CD1 4.29Å; I227-F321 HydrophobicContact CD1-CD2 3.58Å; I227-F321 HydrophobicContact CD1-CE1 4.32Å; I227-F321 HydrophobicContact CD1-CE2 3.62Å; I227-F321 HydrophobicContact CD1-CG 3.94Å; I227-F321 HydrophobicContact CD1-CZ 3.99Å; I227-F321 HydrophobicContact CG1-CD2 3.47Å; I227-F321 VanDerWaalsContact CG1-CD2 3.47Å; I227-F321 HydrophobicContact CG1-CE2 3.69Å; I227-F321 HydrophobicContact CG1-CG 4.19Å; D228-F321 PolarHBondContact O-N 2.82Å; F229-F321 WeakPolarHBondContact CA-O 2.96Å; F229-F321 HydrophobicContact CD1-CB 4.06Å; F229-F321 HydrophobicContact CE1-CB 4.3Å; Y230-F321 PolarHBondContact N-O 2.83Å; A274-F321 HydrophobicContact CB-CB 3.82Å; A274-F321 HydrophobicContact CB-CD1 4.48Å; F275-F321 VanDerWaalsContact O-CA 3.31Å; F275-F321 WeakPolarHBondContact O-CA 3.46Å; P276-F321 HydrophobicContact CB-CD1 4.08Å; P276-F321 HydrophobicContact CB-CE1 3.74Å; P276-F321 HydrophobicContact CB-CZ 4.18Å; P276-F321 HydrophobicContact CG-CE1 4.24Å; F294-F321 HydrophobicContact CE1-CE1 4.38Å; F294-F321 HydrophobicContact CE1-CZ 4.2Å; F294-F321 AromaticContact CE2-CE1 3.98Å; F294-F321 HydrophobicContact CE2-CE1 3.98Å; F294-F321 HydrophobicContact CE2-CZ 4.48Å; F294-F321 AromaticContact CZ-CE1 3.49Å; F294-F321 HydrophobicContact CZ-CE1 3.49Å; F294-F321 VanDerWaalsContact CZ-CE1 3.49Å; F294-F321 AromaticContact CZ-CZ 3.56Å; F294-F321 HydrophobicContact CZ-CZ 3.56Å; P300-F321 HydrophobicContact CB-CE1 4.42Å; P300-F321 HydrophobicContact CG-CD1 4.23Å; P300-F321 HydrophobicContact CG-CE1 3.62Å; P300-F321 HydrophobicContact CG-CZ 4.13Å; L313-F321 HydrophobicContact CD2-CE2 4.16Å; L313-F321 HydrophobicContact CD2-CZ 3.84Å; Q318-F321 HydrophobicContact CG-CE2 4.19Å; Q318-F321 HydrophobicContact CG-CZ 4.2Å; Q318-F321 WeakPolarHBondContact O-CE2 3.17Å; T319-F321 VanDerWaalsContact O-CD2 3.25Å; T319-F321 WeakPolarHBondContact O-CD2 3.23Å
322	Y	97.5	Very high	92.9	Very high	16 Å²	16	51 Å²	51	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	-175.9	-62.9	-90.5	0	0	0	110.9	Y230 A274 F275 C277 H280 F283 K320	Y230-Y322 VanDerWaalsContact CB-CE1 3.49Å; Y230-Y322 HydrophobicContact CD2-CE1 4.32Å; Y230-Y322 HydrophobicContact CG-CE1 4.01Å; A274-Y322 WeakPolarHBondContact CA-O 3.32Å; F275-Y322 PolarHBondContact N-O 2.92Å; F275-Y322 PolarHBondContact O-N 3.19Å; C277-Y322 HydrophobicContact CB-CD2 3.59Å; C277-Y322 HydrophobicContact CB-CE2 4.03Å; H280-Y322 HydrophobicContact CB-CD1 3.76Å; H280-Y322 HydrophobicContact CB-CE1 3.73Å; H280-Y322 AromaticContact CD2-CD1 3.86Å; F283-Y322 HydrophobicContact CB-CG 4.41Å; K320-Y322 HydrophobicContact CB-CE2 4.13Å
323	F	96.8	Very high	93	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.6	166.3	63.6	-80.9	0	0	0	107.8	F229 P231 N232 R273 A274 F302 T325	F229-F323 HydrophobicContact CB-CE1 4.07Å; F229-F323 HydrophobicContact CD1-CD1 4.4Å; F229-F323 HydrophobicContact CD1-CE1 4.05Å; F229-F323 HydrophobicContact CG-CE1 4.39Å; P231-F323 CarbonylContact C-O 3.55Å; P231-F323 VanDerWaalsContact CA-O 3.25Å; P231-F323 WeakPolarHBondContact CA-O 3.05Å; P231-F323 HydrophobicContact CB-CD2 4.41Å; P231-F323 HydrophobicContact CB-CE1 4.13Å; P231-F323 HydrophobicContact CB-CE2 3.87Å; P231-F323 HydrophobicContact CB-CZ 3.71Å; P231-F323 HydrophobicContact CG-CZ 4.33Å; N232-F323 PolarHBondContact N-O 3.13Å; R273-F323 VanDerWaalsContact O-CB 3.32Å; R273-F323 WeakPolarHBondContact O-CB 3.49Å; A274-F323 HydrophobicContact CB-CB 4.48Å; A274-F323 HydrophobicContact CB-CD1 3.84Å; F302-F323 HydrophobicContact CB-CD1 4.43Å; F302-F323 HydrophobicContact CB-CE1 3.7Å; F302-F323 HydrophobicContact CB-CZ 3.83Å; F302-F323 HydrophobicContact CD1-CE1 4.18Å; F302-F323 HydrophobicContact CD1-CE2 4.11Å; F302-F323 AromaticContact CD1-CZ 3.46Å; F302-F323 HydrophobicContact CD1-CZ 3.46Å; F302-F323 VanDerWaalsContact CD1-CZ 3.46Å; F302-F323 HydrophobicContact CD2-CE1 4.33Å; F302-F323 HydrophobicContact CD2-CZ 4.26Å; F302-F323 HydrophobicContact CE1-CZ 4.14Å; F302-F323 AromaticContact CG-CE1 3.78Å; F302-F323 HydrophobicContact CG-CE1 3.78Å; F302-F323 HydrophobicContact CG-CE2 4.5Å; F302-F323 AromaticContact CG-CZ 3.54Å; F302-F323 HydrophobicContact CG-CZ 3.54Å; F323-T325 HydrophobicContact CD2-CG2 3.86Å; F323-T325 HydrophobicContact CE2-CG2 3.47Å; F323-T325 VanDerWaalsContact CE2-CG2 3.47Å
324	N	96.6	Very high	93	Very high	26 Å²	26	50 Å²	50	14%	0.139	27%	0.267	C	S	.	.			trans	-116.7	156	170.2	-77.9	9.6	0	0	0	110.1	N232 H280 L333 M385	N232-N324 WeakPolarHBondContact CA-OD1 3.21Å; N232-N324 WeakPolarHBondContact OD1-CA 3.23Å; N232-N324 WeakPolarHBondContact OD1-CB 3.15Å; H280-N324 PolarHBondContact NE2-OD1 3.23Å; N324-L333 HydrophobicContact CB-CD1 3.73Å; N324-L333 WeakPolarHBondContact O-CD1 3.3Å; N324-M385 HydrophobicContact CB-CE 4.46Å; N324-M385 HydrophobicContact CB-SD 3.67Å
325	T	96.6	Very high	93.1	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.037	25%	0.252	C	S	.	.			trans	-120.4	164	176.3	69.1	0	0	0	0	110	P231 N232 P238 L261 F323 Y331	P231-T325 HydrophobicContact CB-CG2 4.31Å; N232-T325 PolarHBondContact ND2-OG1 2.98Å; N232-T325 PolarHBondContact OD1-N 3.44Å; N232-T325 PolarHBondContact OD1-O 3.03Å; P238-T325 WeakPolarHBondContact CG-O 3.21Å; L261-T325 HydrophobicContact CD1-CG2 4.38Å; L261-T325 HydrophobicContact CD2-CG2 3.79Å; F323-T325 HydrophobicContact CD2-CG2 3.86Å; F323-T325 HydrophobicContact CE2-CG2 3.47Å; F323-T325 VanDerWaalsContact CE2-CG2 3.47Å; T325-Y331 CarbonylContact C-O 3.59Å; T325-Y331 WeakPolarHBondContact CA-O 3.45Å; T325-Y331 WeakPolarHBondContact CB-O 3.39Å
326	N	94.6	Very high	93.4	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.214	C	C	.	.			trans	-87.3	-173.5	163	73.4	58.4	0	0	0	110	H328 P330 Y331 C332 L333	N326-H328 PolarHBondContact OD1-N 3.43Å; N326-H328 PolarHBondContact OD1-O 2.87Å; N326-P330 PolarHBondContact ND2-O 3.41Å; N326-Y331 PolarHBondContact N-O 3.42Å; N326-Y331 PolarHBondContact ND2-O 3.5Å; N326-C332 PolarHBondContact ND2-O 2.77Å; N326-L333 HydrophobicContact CB-CD2 3.79Å
327	S	93.7	Very high	93.9	Very high	43 Å²	43	41.7 Å²	41.7	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-88.8	-6.4	-175.8	48.3	0	0	0	0	116.4	P238	P238-S327 WeakPolarHBondContact O-CA 3.32Å
328	H	91	Very high	94.4	Very high	129 Å²	129	33.7 Å²	33.7	60%	0.597	18%	0.176	S	C	*	.	S	Bend	trans	-140.7	148.2	-171.8	-59.4	85	0	0	0	112.1	N326 P330 Y331	N326-H328 PolarHBondContact OD1-N 3.43Å; N326-H328 PolarHBondContact OD1-O 2.87Å; H328-P330 CarbonylContact O-C 3.54Å; H328-Y331 VanDerWaalsContact C-CD1 3.48Å; H328-Y331 WeakPolarHBondContact O-CA 3.03Å; H328-Y331 WeakPolarHBondContact O-CD1 3.45Å; H328-Y331 PolarHBondContact O-N 3.47Å
329	S	90.4	Very high	94.8	Very high	71 Å²	71	31.8 Å²	31.8	50%	0.497	17%	0.168	S	C	.	.	S	Bend	trans	-65.5	138.9	173.1	168.5	0	0	0	0	110.9	D264	D264-S329 WeakPolarHBondContact OD1-CB 3.42Å; D264-S329 PolarHBondContact OD1-OG 3.13Å
330	P	92.9	Very high	95	Very high	67 Å²	67	29.8 Å²	29.8	44%	0.435	16%	0.156	S	C	.	.	S	Bend	cis	-71.6	132.7	-6.3	30.4	-34.3	0	0	0	111.6	D264 C270 N326 H328 C332	D264-P330 VanDerWaalsContact OD2-CA 3.26Å; D264-P330 WeakPolarHBondContact OD2-CA 3.39Å; C270-P330 HydrophobicContact CB-CB 3.84Å; N326-P330 PolarHBondContact ND2-O 3.41Å; H328-P330 CarbonylContact O-C 3.54Å; P330-C332 VanDerWaalsContact C-N 3.35Å; P330-C332 PolarHBondContact O-N 3.32Å
331	Y	94.4	Very high	95	Very high	24 Å²	24	28.1 Å²	28.1	9%	0.094	15%	0.152	C	C	.	.			trans	-79.7	-15.9	-166.6	-70.9	-71	0	0	0	114.4	R257 F260 L261 D264 T325 N326 H328	R257-Y331 VanDerWaalsContact NH1-CE1 3.26Å; R257-Y331 VanDerWaalsContact NH1-CZ 3.25Å; R257-Y331 PolarHBondContact NH1-OH 2.97Å; F260-Y331 HydrophobicContact CB-CE2 4.04Å; L261-Y331 VanDerWaalsContact CD2-CB 3.49Å; L261-Y331 HydrophobicContact CD2-CD1 4.18Å; L261-Y331 HydrophobicContact CD2-CD2 3.73Å; L261-Y331 HydrophobicContact CD2-CG 3.53Å; D264-Y331 HydrophobicContact CB-CD2 3.94Å; D264-Y331 PolarHBondContact OD2-N 2.94Å; T325-Y331 CarbonylContact C-O 3.59Å; T325-Y331 WeakPolarHBondContact CA-O 3.45Å; T325-Y331 WeakPolarHBondContact CB-O 3.39Å; N326-Y331 PolarHBondContact N-O 3.42Å; N326-Y331 PolarHBondContact ND2-O 3.5Å; H328-Y331 VanDerWaalsContact C-CD1 3.48Å; H328-Y331 WeakPolarHBondContact O-CA 3.03Å; H328-Y331 WeakPolarHBondContact O-CD1 3.45Å; H328-Y331 PolarHBondContact O-N 3.47Å
332	C	93.6	Very high	94.8	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.041	15%	0.152	C	C	.	.			trans	-53	158.1	179.6	59.5	0	0	0	0	114.1	C270 N326 P330	C270-C332 HydrophobicContact CB-CB 3.69Å; C270-C332 WeakPolarHBondContact CB-SG 3.37Å; C270-C332 WeakPolarHBondContact SG-CB 3.35Å; C270-C332 CovalentContact SG-SG 1.98Å; C270-C332 PolarHBondContact SG-SG 3.44Å; N326-C332 PolarHBondContact ND2-O 2.77Å; P330-C332 VanDerWaalsContact C-N 3.35Å; P330-C332 PolarHBondContact O-N 3.32Å
333	L	94.6	Very high	94.5	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	17%	0.171	C	C	.	.			trans	-125.8	150.1	167.6	-64.3	177.5	0	0	0	109	N324 N326 M385 F386 A387	N324-L333 HydrophobicContact CB-CD1 3.73Å; N324-L333 WeakPolarHBondContact O-CD1 3.3Å; N326-L333 HydrophobicContact CB-CD2 3.79Å; L333-M385 HydrophobicContact CB-CB 4.27Å; L333-M385 HydrophobicContact CD1-CB 3.86Å; L333-M385 HydrophobicContact CD1-SD 4.33Å; L333-F386 CarbonylContact C-O 3.59Å; L333-F386 WeakPolarHBondContact CA-O 3.34Å; L333-A387 HydrophobicContact CD2-CB 4.25Å
334	T	92.8	Very high	93.9	Very high	13 Å²	13	34.5 Å²	34.5	8%	0.08	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.9	170.9	-50.5	0	0	0	0	110	Y336 M385 F386 N389 D423	T334-Y336 HydrophobicContact CG2-CD2 4.31Å; T334-Y336 HydrophobicContact CG2-CE2 3.76Å; T334-M385 WeakPolarHBondContact O-CA 3.47Å; T334-F386 PolarHBondContact N-O 3.23Å; T334-F386 PolarHBondContact O-N 3.34Å; T334-N389 HydrophobicContact CG2-CB 4.4Å; T334-N389 WeakPolarHBondContact OG1-CA 3.36Å; T334-N389 WeakPolarHBondContact OG1-CB 3.41Å; T334-N389 PolarHBondContact OG1-N 3.46Å; T334-D423 WeakPolarHBondContact CA-OD2 3.36Å
335	N	94.2	Very high	93.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.9	-172.3	-55.8	-73.2	0	0	0	111.9	L383 A384 M385 L422 D423	N335-L383 HydrophobicContact CB-CD1 4.21Å; N335-A384 CarbonylContact C-O 3.5Å; N335-M385 WeakPolarHBondContact OD1-CG 3.39Å; N335-L422 HydrophobicContact CB-CB 4.07Å; N335-L422 HydrophobicContact CB-CD1 4.02Å; N335-L422 PolarHBondContact O-N 3.37Å; N335-D423 PolarHBondContact N-OD2 3.37Å; N335-D423 PolarHBondContact ND2-OD1 3.02Å; N335-D423 PolarHBondContact ND2-OD2 3.26Å
336	Y	95.1	Very high	92.7	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.8	174.6	-80	-109.3	0	0	0	110.2	T334 A384 F386 Q391 L419 T420 P421	T334-Y336 HydrophobicContact CG2-CD2 4.31Å; T334-Y336 HydrophobicContact CG2-CE2 3.76Å; Y336-A384 PolarHBondContact N-O 2.84Å; Y336-A384 PolarHBondContact O-N 3.31Å; Y336-F386 AromaticContact CD2-CD2 3.6Å; Y336-F386 HydrophobicContact CD2-CD2 3.6Å; Y336-F386 AromaticContact CD2-CE2 3.65Å; Y336-F386 HydrophobicContact CD2-CE2 3.65Å; Y336-F386 HydrophobicContact CE2-CD2 4.04Å; Y336-F386 HydrophobicContact CE2-CE2 4.25Å; Y336-F386 HydrophobicContact CG-CD2 4.37Å; Y336-F386 AromaticContact CG-CE2 3.97Å; Y336-F386 HydrophobicContact CG-CE2 3.97Å; Y336-Q391 PolarHBondContact OH-NE2 3.22Å; Y336-L419 HydrophobicContact CD1-CB 4.02Å; Y336-L419 HydrophobicContact CE1-CB 4.49Å; Y336-T420 CarbonylContact C-O 3.58Å; Y336-T420 WeakPolarHBondContact CA-O 2.98Å; Y336-P421 HydrophobicContact CD1-CB 4.39Å; Y336-P421 HydrophobicContact CD1-CG 4.13Å; Y336-P421 HydrophobicContact CE1-CB 4Å; Y336-P421 HydrophobicContact CE1-CG 3.52Å
337	R	95.6	Very high	92.4	Very high	87 Å²	87	52.8 Å²	52.8	33%	0.328	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.1	161.2	162.7	167	-179	177.3	4.6	108.8	M289 D339 T381 T420 L422	M289-R337 HydrophobicContact CE-CB 3.81Å; M289-R337 HydrophobicContact CE-CG 3.74Å; M289-R337 HydrophobicContact SD-CB 3.81Å; M289-R337 HydrophobicContact SD-CG 4.4Å; R337-D339 IonicContact CZ-OD1 3.57Å; R337-D339 IonicContact CZ-OD2 4Å; R337-D339 VanDerWaalsContact NE-CG 3.33Å; R337-D339 IonicContact NE-OD1 3.01Å; R337-D339 PolarHBondContact NE-OD1 3.45Å; R337-D339 IonicContact NE-OD2 3.9Å; R337-D339 PolarHBondContact NE-OD2 3.16Å; R337-D339 IonicContact NH2-OD1 3.97Å; R337-D339 PolarHBondContact NH2-OD1 3.13Å; R337-D339 IonicContact NH2-OD2 2.6Å; R337-T381 HydrophobicContact CG-CG2 4.03Å; R337-T420 PolarHBondContact N-O 3.24Å; R337-T420 PolarHBondContact O-N 3.09Å; R337-L422 HydrophobicContact CB-CD1 4.39Å; R337-L422 HydrophobicContact CB-CD2 3.91Å; R337-L422 HydrophobicContact CB-CG 4.26Å
338	V	96.8	Very high	92.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.2	177.3	-173.6	0	0	0	0	109.6	V340 I354 T381 M382 A384 I417 R418 L419	V338-V340 HydrophobicContact CG1-CG2 4.14Å; V338-I354 HydrophobicContact CB-CD1 4.24Å; V338-I354 HydrophobicContact CG1-CD1 3.76Å; V338-I354 HydrophobicContact CG2-CD1 3.75Å; V338-T381 CarbonylContact O-C 3.58Å; V338-T381 WeakPolarHBondContact O-CA 3.4Å; V338-M382 HydrophobicContact CB-CB 4.49Å; V338-M382 HydrophobicContact CB-CE 4.23Å; V338-M382 HydrophobicContact CG1-CE 3.87Å; V338-M382 PolarHBondContact N-O 2.96Å; V338-M382 PolarHBondContact O-N 3.35Å; V338-A384 HydrophobicContact CG2-CB 3.59Å; V338-I417 HydrophobicContact CG1-CD1 3.95Å; V338-I417 HydrophobicContact CG1-CG1 3.91Å; V338-R418 CarbonylContact C-O 3.49Å; V338-R418 VanDerWaalsContact CA-O 3.31Å; V338-R418 WeakPolarHBondContact CA-O 3.42Å; V338-L419 HydrophobicContact CG2-CG 4.37Å
339	D	96.7	Very high	92.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.4	176.6	-59.1	-58.5	0	0	0	109.8	R337 Q379 T380 T381 I417 R418	R337-D339 IonicContact CZ-OD1 3.57Å; R337-D339 IonicContact CZ-OD2 4Å; R337-D339 VanDerWaalsContact NE-CG 3.33Å; R337-D339 IonicContact NE-OD1 3.01Å; R337-D339 PolarHBondContact NE-OD1 3.45Å; R337-D339 IonicContact NE-OD2 3.9Å; R337-D339 PolarHBondContact NE-OD2 3.16Å; R337-D339 IonicContact NH2-OD1 3.97Å; R337-D339 PolarHBondContact NH2-OD1 3.13Å; R337-D339 IonicContact NH2-OD2 2.6Å; D339-Q379 HydrophobicContact CB-CG 3.89Å; D339-T380 WeakPolarHBondContact CA-O 3.42Å; D339-T381 WeakPolarHBondContact OD1-CB 3.34Å; D339-T381 WeakPolarHBondContact OD1-CG2 3.39Å; D339-T381 PolarHBondContact OD1-OG1 3.27Å; D339-I417 CarbonylContact O-C 3.4Å; D339-I417 WeakPolarHBondContact O-CA 3.42Å; D339-R418 HydrophobicContact CB-CB 4.28Å; D339-R418 PolarHBondContact N-O 3.38Å; D339-R418 PolarHBondContact O-N 3.11Å
340	V	96.7	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	-179	175.9	0	0	0	0	109.7	V338 T342 M352 F374 T380 M382 V414 G416 I417	V338-V340 HydrophobicContact CG1-CG2 4.14Å; V340-T342 HydrophobicContact CG1-CG2 3.81Å; V340-M352 HydrophobicContact CG2-CE 4.2Å; V340-M352 HydrophobicContact CG2-SD 4.4Å; V340-F374 HydrophobicContact CB-CE1 4.33Å; V340-F374 HydrophobicContact CG1-CD1 4.26Å; V340-F374 HydrophobicContact CG1-CE1 4.03Å; V340-T380 PolarHBondContact N-O 2.92Å; V340-T380 PolarHBondContact O-N 3.21Å; V340-M382 HydrophobicContact CB-CE 4.1Å; V340-M382 HydrophobicContact CG2-CE 3.39Å; V340-V414 HydrophobicContact CG1-CB 4.5Å; V340-V414 HydrophobicContact CG1-CG1 3.86Å; V340-V414 HydrophobicContact CG1-CG2 3.92Å; V340-G416 WeakPolarHBondContact CA-O 3.49Å; V340-I417 HydrophobicContact CG2-CB 4.38Å; V340-I417 HydrophobicContact CG2-CD1 3.96Å; V340-I417 HydrophobicContact CG2-CG1 3.82Å
341	T	96.6	Very high	92.5	Very high	37 Å²	37	48.1 Å²	48.1	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.3	173.8	-51.4	0	0	0	0	109.4	V414 L415 G416	T341-V414 CarbonylContact O-C 3.41Å; T341-V414 WeakPolarHBondContact O-CA 3.19Å; T341-L415 HydrophobicContact CG2-CB 4.45Å; T341-L415 HydrophobicContact CG2-CD1 4.2Å; T341-L415 PolarHBondContact O-N 3.19Å; T341-G416 PolarHBondContact N-O 2.65Å
342	T	94.1	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.3	-172.9	71.5	0	0	0	0	113.4	V340 F374 T375 D377 L412 R413 V414	V340-T342 HydrophobicContact CG1-CG2 3.81Å; T342-F374 HydrophobicContact CG2-CB 3.98Å; T342-F374 HydrophobicContact CG2-CD1 3.77Å; T342-F374 HydrophobicContact CG2-CG 4.2Å; T342-T375 PolarHBondContact OG1-O 2.96Å; T342-T375 VanDerWaalsContact OG1-O 3.1Å; T342-D377 PolarHBondContact O-N 3.46Å; T342-L412 HydrophobicContact CG2-CD1 4.13Å; T342-L412 HydrophobicContact CG2-CD2 4.31Å; T342-L412 HydrophobicContact CG2-CG 4.24Å; T342-R413 CarbonylContact C-O 3.59Å; T342-R413 VanDerWaalsContact CA-O 3.28Å; T342-R413 WeakPolarHBondContact CA-O 3.42Å; T342-R413 WeakPolarHBondContact CB-O 3.2Å; T342-V414 HydrophobicContact CG2-CG2 4.34Å
343	W	90.8	Very high	92.7	Very high	124 Å²	124	48.2 Å²	48.2	47%	0.47	22%	0.215	S	C	.	.			trans	-113.7	5	-178.6	-174.5	-104.5	0	0	0	114	Q345 D377 R413 L415	W343-Q345 PolarHBondContact O-N 3.43Å; W343-D377 WeakPolarHBondContact CZ3-OD1 3.36Å; W343-R413 HydrophobicContact CB-CG 4.37Å; W343-R413 PolarHBondContact N-O 3.18Å; W343-L415 HydrophobicContact CB-CD1 4.28Å; W343-L415 HydrophobicContact CB-CD2 3.84Å; W343-L415 HydrophobicContact CB-CG 3.95Å; W343-L415 HydrophobicContact CE3-CD1 4.07Å; W343-L415 HydrophobicContact CG-CD2 4.36Å
344	N	83.8	Confident	92.8	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	21%	0.21	C	C	.	.			trans	-64.1	130.1	-176.3	-73.4	69.6	0	0	0	111.9	K346 Q348 K376 K411 R413	N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.02Å; N344-Q348 HydrophobicContact CB-CG 4.25Å; N344-K376 VanDerWaalsContact O-CB 3.31Å; N344-K376 WeakPolarHBondContact O-CB 3.42Å; N344-K411 PolarHBondContact ND2-O 2.96Å; N344-R413 PolarHBondContact OD1-N 3.35Å; N344-R413 PolarHBondContact OD1-O 3.27Å
345	Q	81.1	Confident	93.1	Very high	182 Å²	182	48.9 Å²	48.9	85%	0.85	22%	0.216	S	C	*	.	S	Bend	trans	-62.2	-34	-179.8	-72.6	-172.4	-20.2	0	0	113.8	W343	W343-Q345 PolarHBondContact O-N 3.43Å
346	K	86.6	Confident	93.3	Very high	169 Å²	169	48.7 Å²	48.7	74%	0.735	22%	0.216	S	C	*	.	S	Bend	trans	-104.5	141	176	-65.5	-175.8	179.8	-177.7	0	109.4	N344 Q348	N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.02Å; K346-Q348 PolarHBondContact O-N 3.41Å; K346-Q348 PolarHBondContact O-NE2 3.3Å
347	E	89.5	Confident	93.4	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	22%	0.22	S	C	.	.			trans	-51.4	131.9	170.1	-177.9	177.3	111.1	0	0	109.7	K349 F374	E347-K349 VanDerWaalsContact OE1-CE 3.25Å; E347-K349 WeakPolarHBondContact OE1-CE 3.15Å; E347-F374 WeakPolarHBondContact CA-O 3.31Å
348	Q	90.3	Very high	93.4	Very high	35 Å²	35	46.4 Å²	46.4	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.3	173.2	-62.3	-61.3	-69.4	0	0	108.9	N344 K346 F374 L412	N344-Q348 HydrophobicContact CB-CG 4.25Å; K346-Q348 PolarHBondContact O-N 3.41Å; K346-Q348 PolarHBondContact O-NE2 3.3Å; Q348-F374 HydrophobicContact CB-CB 4.4Å; Q348-F374 PolarHBondContact N-O 3.31Å; Q348-F374 PolarHBondContact O-N 2.95Å; Q348-L412 HydrophobicContact CB-CD1 4Å; Q348-L412 HydrophobicContact CG-CD1 4.08Å
349	K	92.1	Very high	93.3	Very high	96 Å²	96	49.2 Å²	49.2	42%	0.417	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.3	169.9	-62.3	-173.1	-173.5	171.9	0	109.2	E347 I372 K373 Y400 G403	E347-K349 VanDerWaalsContact OE1-CE 3.25Å; E347-K349 WeakPolarHBondContact OE1-CE 3.15Å; K349-I372 CarbonylContact C-O 3.55Å; K349-I372 VanDerWaalsContact CA-O 3.24Å; K349-I372 WeakPolarHBondContact CA-O 2.98Å; K349-K373 HydrophobicContact CD-CG 4.39Å; K349-K373 HydrophobicContact CG-CG 4.16Å; K349-Y400 PolarHBondContact O-OH 2.7Å; K349-G403 WeakPolarHBondContact O-CA 3.34Å; K349-G403 PolarHBondContact O-N 3.35Å
350	G	93.1	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-171.7	178.6	0	0	0	0	0	114.2	I372 Y401	G350-I372 PolarHBondContact N-O 2.89Å; G350-I372 WeakPolarHBondContact O-CB 3.02Å; G350-I372 PolarHBondContact O-N 3.31Å; G350-Y401 CarbonylContact C-O 3.51Å; G350-Y401 WeakPolarHBondContact CA-O 3.38Å
351	Y	94.6	Very high	93.2	Very high	81 Å²	81	59 Å²	59	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	162.1	-178.4	-49.9	-82.1	0	0	0	109.9	E368 A371 Y400 Y401	Y351-E368 HydrophobicContact CD1-CB 4.26Å; Y351-A371 HydrophobicContact CE1-CB 3.99Å; Y351-A371 VanDerWaalsContact CE1-N 3.34Å; Y351-Y400 WeakPolarHBondContact O-CD2 3.45Å; Y351-Y401 PolarHBondContact N-O 3.13Å; Y351-Y401 PolarHBondContact O-N 2.75Å
352	M	94.8	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.2	-178.3	-169.2	173.9	-67.7	0	0	111.1	V340 I354 I367 F374 M382 V398 K399 I417 L436	V340-M352 HydrophobicContact CG2-CE 4.2Å; V340-M352 HydrophobicContact CG2-SD 4.4Å; M352-I354 HydrophobicContact CG-CD1 4.5Å; M352-I354 HydrophobicContact CG-CG1 4.02Å; M352-I354 HydrophobicContact SD-CD1 4.12Å; M352-I354 HydrophobicContact SD-CG1 4.16Å; M352-I367 VanDerWaalsContact O-CB 3.23Å; M352-I367 WeakPolarHBondContact O-CB 3.5Å; M352-I367 WeakPolarHBondContact O-CG1 3.33Å; M352-I367 PolarHBondContact O-N 3.1Å; M352-F374 HydrophobicContact CE-CE1 4.41Å; M352-F374 HydrophobicContact CE-CZ 4.15Å; M352-M382 HydrophobicContact CE-CE 4.48Å; M352-M382 HydrophobicContact SD-CE 4.14Å; M352-V398 HydrophobicContact CE-CG1 4.14Å; M352-V398 HydrophobicContact CG-CG1 3.66Å; M352-V398 HydrophobicContact SD-CG1 3.6Å; M352-K399 WeakPolarHBondContact CA-O 3.28Å; M352-I417 HydrophobicContact SD-CD1 4.32Å; M352-L436 HydrophobicContact CE-CD1 4.03Å
353	D	96.4	Very high	93.4	Very high	31 Å²	31	63.3 Å²	63.3	17%	0.166	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.5	164.1	-56.1	-18.4	0	0	0	108.5	A365 V398 K399 Y401	D353-A365 WeakPolarHBondContact CA-O 3.28Å; D353-V398 WeakPolarHBondContact O-CA 2.98Å; D353-K399 HydrophobicContact CB-CB 4.27Å; D353-K399 PolarHBondContact N-O 3.05Å; D353-K399 PolarHBondContact O-N 2.58Å; D353-Y401 HydrophobicContact CB-CE2 4.4Å; D353-Y401 WeakPolarHBondContact OD2-CE2 3.14Å; D353-Y401 VanDerWaalsContact OD2-CZ 3.28Å; D353-Y401 PolarHBondContact OD2-OH 2.67Å
354	I	98	Very high	93.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129	177.2	-56.5	175.9	0	0	0	108.1	V338 M352 A364 A365 I367 A384 F386 V396 S397 L419	V338-I354 HydrophobicContact CB-CD1 4.24Å; V338-I354 HydrophobicContact CG1-CD1 3.76Å; V338-I354 HydrophobicContact CG2-CD1 3.75Å; M352-I354 HydrophobicContact CG-CD1 4.5Å; M352-I354 HydrophobicContact CG-CG1 4.02Å; M352-I354 HydrophobicContact SD-CD1 4.12Å; M352-I354 HydrophobicContact SD-CG1 4.16Å; I354-A364 CarbonylContact O-C 3.58Å; I354-A364 VanDerWaalsContact O-CA 3.31Å; I354-A364 WeakPolarHBondContact O-CA 3.36Å; I354-A365 PolarHBondContact N-O 3.12Å; I354-A365 PolarHBondContact O-N 3.06Å; I354-I367 HydrophobicContact CD1-CD1 4.05Å; I354-A384 HydrophobicContact CD1-CB 4.45Å; I354-F386 HydrophobicContact CB-CZ 4.27Å; I354-F386 HydrophobicContact CG2-CE1 4.42Å; I354-F386 HydrophobicContact CG2-CZ 3.94Å; I354-F386 WeakPolarHBondContact O-CE1 3.5Å; I354-V396 HydrophobicContact CG2-CG1 3.97Å; I354-S397 CarbonylContact C-O 3.53Å; I354-S397 WeakPolarHBondContact CA-O 3.45Å; I354-L419 HydrophobicContact CG2-CD2 4.15Å
355	K	98.2	Very high	94.3	Very high	49 Å²	49	58.9 Å²	58.9	21%	0.213	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	175.2	-172.4	178	76.4	-159.5	0	109.3	E362 S363 A364 V396 S397 E441	K355-E362 WeakPolarHBondContact CD-OE2 3.3Å; K355-E362 WeakPolarHBondContact CE-OE2 3.5Å; K355-E362 HydrophobicContact CG-CB 4.39Å; K355-S363 CarbonylContact C-O 3.53Å; K355-S363 WeakPolarHBondContact CA-O 3.31Å; K355-A364 HydrophobicContact CB-CB 4.42Å; K355-A364 HydrophobicContact CG-CB 4.43Å; K355-V396 CarbonylContact O-C 3.58Å; K355-V396 VanDerWaalsContact O-CA 3.28Å; K355-V396 WeakPolarHBondContact O-CA 3.46Å; K355-S397 PolarHBondContact N-O 3.48Å; K355-S397 PolarHBondContact O-N 3.3Å; K355-E441 IonicContact NZ-OE1 3.61Å; K355-E441 PolarHBondContact NZ-OE1 2.82Å; K355-E441 IonicContact NZ-OE2 2.69Å; K355-E441 PolarHBondContact NZ-OE2 2.6Å
356	I	97.8	Very high	94.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.3	176.2	61.1	178.1	0	0	0	109.4	E362 S363 F386 I390 V393 V396 L419	I356-E362 VanDerWaalsContact O-CA 3.25Å; I356-E362 WeakPolarHBondContact O-CA 3.04Å; I356-S363 PolarHBondContact N-O 3.14Å; I356-S363 PolarHBondContact O-N 3.49Å; I356-F386 HydrophobicContact CB-CE1 4.37Å; I356-F386 HydrophobicContact CD1-CB 4.46Å; I356-F386 HydrophobicContact CD1-CD1 3.79Å; I356-F386 HydrophobicContact CD1-CD2 4.11Å; I356-F386 HydrophobicContact CD1-CE1 3.98Å; I356-F386 HydrophobicContact CD1-CE2 4.28Å; I356-F386 HydrophobicContact CD1-CG 3.86Å; I356-F386 HydrophobicContact CD1-CZ 4.23Å; I356-F386 HydrophobicContact CG1-CD1 3.77Å; I356-F386 HydrophobicContact CG1-CE1 3.77Å; I356-F386 HydrophobicContact CG1-CG 4.35Å; I356-F386 HydrophobicContact CG1-CZ 4.36Å; I356-F386 HydrophobicContact CG2-CE1 3.92Å; I356-F386 HydrophobicContact CG2-CZ 3.87Å; I356-I390 HydrophobicContact CD1-CB 3.88Å; I356-I390 HydrophobicContact CD1-CG1 4.17Å; I356-I390 HydrophobicContact CG1-CB 3.98Å; I356-I390 HydrophobicContact CG1-CG1 4Å; I356-V393 HydrophobicContact CB-CG1 4.01Å; I356-V393 HydrophobicContact CB-CG2 4.37Å; I356-V393 HydrophobicContact CD1-CG2 4.42Å; I356-V393 HydrophobicContact CG2-CG1 4.15Å; I356-V396 HydrophobicContact CG2-CG2 4.31Å; I356-L419 HydrophobicContact CG2-CD2 4.36Å
357	S	97.6	Very high	95.3	Very high	15 Å²	15	47.6 Å²	47.6	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147	178.7	178.2	0	0	0	0	112.8	G359 N361 K394 T395	S357-G359 PolarHBondContact OG-N 3.27Å; S357-N361 VanDerWaalsContact CA-O 3.23Å; S357-N361 WeakPolarHBondContact CA-O 3.05Å; S357-N361 VanDerWaalsContact CB-O 3.31Å; S357-N361 WeakPolarHBondContact CB-O 3.38Å; S357-N361 PolarHBondContact OG-O 2.88Å; S357-K394 PolarHBondContact O-N 3.48Å; S357-T395 WeakPolarHBondContact CB-OG1 3.5Å; S357-T395 PolarHBondContact N-O 3.01Å; S357-T395 PolarHBondContact O-N 3.25Å
358	D	96.6	Very high	95.4	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.134	27%	0.27	C	S	.	.	S	Bend	trans	-93	5.2	170	66	12.6	0	0	0	112.4	T360 N361 I390 K394	D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 PolarHBondContact OD1-N 3.4Å; D358-N361 PolarHBondContact N-O 3.09Å; D358-N361 PolarHBondContact OD1-N 3.29Å; D358-N361 PolarHBondContact OD2-ND2 3.31Å; D358-I390 HydrophobicContact CB-CG2 3.9Å; D358-K394 WeakPolarHBondContact O-CD 3.16Å; D358-K394 WeakPolarHBondContact O-CE 3.4Å; D358-K394 PolarHBondContact O-NZ 2.78Å
359	G	94.7	Very high	95.4	Very high	59 Å²	59	51.7 Å²	51.7	61%	0.608	28%	0.281	S	S	*	.	S	Bend	trans	94.6	-11.9	-174.4	0	0	0	0	0	115.1	S357	S357-G359 PolarHBondContact OG-N 3.27Å
360	T	95.5	Very high	95.4	Very high	127 Å²	127	52 Å²	52	78%	0.779	28%	0.282	S	S	*	.	S	Bend	trans	-126.2	-48	178.1	-56.7	0	0	0	0	111.1	D358	D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 PolarHBondContact OD1-N 3.4Å
361	N	96.4	Very high	95.4	Very high	85 Å²	85	53.7 Å²	53.7	46%	0.455	30%	0.296	S	S	.	.			trans	-100.9	151.1	176.3	-54.8	-62.8	0	0	0	109.8	S357 D358 I390	S357-N361 VanDerWaalsContact CA-O 3.23Å; S357-N361 WeakPolarHBondContact CA-O 3.05Å; S357-N361 VanDerWaalsContact CB-O 3.31Å; S357-N361 WeakPolarHBondContact CB-O 3.38Å; S357-N361 PolarHBondContact OG-O 2.88Å; D358-N361 PolarHBondContact N-O 3.09Å; D358-N361 PolarHBondContact OD1-N 3.29Å; D358-N361 PolarHBondContact OD2-ND2 3.31Å; N361-I390 HydrophobicContact CB-CD1 3.72Å
362	E	96.4	Very high	95.3	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.6	173.5	61.5	177.8	-161.7	0	0	111.6	K355 I356	K355-E362 WeakPolarHBondContact CD-OE2 3.3Å; K355-E362 WeakPolarHBondContact CE-OE2 3.5Å; K355-E362 HydrophobicContact CG-CB 4.39Å; I356-E362 VanDerWaalsContact O-CA 3.25Å; I356-E362 WeakPolarHBondContact O-CA 3.04Å
363	S	96.4	Very high	95.2	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.1	169	-170.3	0	0	0	0	109.2	K355 I356 F386 A387 R388	K355-S363 CarbonylContact C-O 3.53Å; K355-S363 WeakPolarHBondContact CA-O 3.31Å; I356-S363 PolarHBondContact N-O 3.14Å; I356-S363 PolarHBondContact O-N 3.49Å; S363-F386 WeakPolarHBondContact O-CD1 3.48Å; S363-F386 WeakPolarHBondContact OG-CB 3.43Å; S363-A387 PolarHBondContact OG-N 3.31Å; S363-R388 PolarHBondContact OG-N 2.95Å
364	A	96.9	Very high	95	Very high	57 Å²	57	54.9 Å²	54.9	47%	0.471	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.7	177.2	0	0	0	0	0	111.3	I354 K355	I354-A364 CarbonylContact O-C 3.58Å; I354-A364 VanDerWaalsContact O-CA 3.31Å; I354-A364 WeakPolarHBondContact O-CA 3.36Å; K355-A364 HydrophobicContact CB-CB 4.42Å; K355-A364 HydrophobicContact CG-CB 4.43Å
365	A	97	Very high	94.8	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.8	169.9	0	0	0	0	0	107.8	D353 I354 A384 M385 F386	D353-A365 WeakPolarHBondContact CA-O 3.28Å; I354-A365 PolarHBondContact N-O 3.12Å; I354-A365 PolarHBondContact O-N 3.06Å; A365-A384 HydrophobicContact CB-CB 3.87Å; A365-M385 WeakPolarHBondContact CA-O 3.47Å; A365-M385 VanDerWaalsContact CB-O 3.26Å; A365-M385 WeakPolarHBondContact CB-O 3.5Å; A365-F386 HydrophobicContact CB-CD1 3.89Å; A365-F386 HydrophobicContact CB-CD2 4.32Å; A365-F386 HydrophobicContact CB-CE1 3.61Å; A365-F386 HydrophobicContact CB-CE2 4.07Å; A365-F386 HydrophobicContact CB-CG 4.25Å; A365-F386 HydrophobicContact CB-CZ 3.7Å
366	I	94.8	Very high	94.5	Very high	107 Å²	107	58.3 Å²	58.3	55%	0.549	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	179.9	-57.5	173.8	0	0	0	107.4	E368	I366-E368 HydrophobicContact CG2-CB 4.11Å; I366-E368 HydrophobicContact CG2-CG 3.76Å
367	I	94	Very high	94.2	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	80.5	-175.8	-45.7	173.1	0	0	0	108.5	M352 I354 I372 M382 A384	M352-I367 VanDerWaalsContact O-CB 3.23Å; M352-I367 WeakPolarHBondContact O-CB 3.5Å; M352-I367 WeakPolarHBondContact O-CG1 3.33Å; M352-I367 PolarHBondContact O-N 3.1Å; I354-I367 HydrophobicContact CD1-CD1 4.05Å; I367-I372 HydrophobicContact CG2-CD1 4.06Å; I367-M382 HydrophobicContact CD1-CB 4.26Å; I367-M382 HydrophobicContact CD1-SD 4.43Å; I367-A384 HydrophobicContact CD1-CB 4.08Å
368	E	91.5	Very high	94	Very high	134 Å²	134	67.9 Å²	67.9	63%	0.626	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	2.8	-170.9	72.2	-179.9	171.6	0	0	115.6	Y351 I366 K370	Y351-E368 HydrophobicContact CD1-CB 4.26Å; I366-E368 HydrophobicContact CG2-CB 4.11Å; I366-E368 HydrophobicContact CG2-CG 3.76Å; E368-K370 PolarHBondContact O-N 2.97Å
369	H	89.9	Confident	93.9	Very high	82 Å²	82	72 Å²	72	38%	0.38	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-28	-177.2	77.3	-75.1	0	0	0	112.9	L284 D285	L284-H369 VanDerWaalsContact C-CE1 3.44Å; L284-H369 HydrophobicContact CD1-CB 4.01Å; L284-H369 PolarHBondContact O-CE1 2.86Å; D285-H369 IonicContact OD1-CD2 2.81Å; D285-H369 IonicContact OD1-CE1 3.44Å; D285-H369 IonicContact OD1-NE2 3.33Å; D285-H369 PolarHBondContact OD1-NE2 3.43Å
370	K	92.4	Very high	93.9	Very high	104 Å²	104	70.3 Å²	70.3	45%	0.452	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141.3	179.9	-178.4	177.8	172	-176.1	0	111.2	D285 E368 I372	D285-K370 IonicContact OD1-NZ 3.57Å; D285-K370 IonicContact OD2-NZ 2.66Å; D285-K370 PolarHBondContact OD2-NZ 3.27Å; E368-K370 PolarHBondContact O-N 2.97Å; K370-I372 PolarHBondContact O-N 3.38Å
371	A	92.6	Very high	93.9	Very high	34 Å²	34	66.2 Å²	66.2	28%	0.281	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	119.5	174.9	0	0	0	0	0	110.7	Y351	Y351-A371 HydrophobicContact CE1-CB 3.99Å; Y351-A371 VanDerWaalsContact CE1-N 3.34Å
372	I	92.5	Very high	93.8	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.097	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.3	-179.4	-62.7	141.2	0	0	0	109.3	K349 G350 I367 K370 F374 T380 M382	K349-I372 CarbonylContact C-O 3.55Å; K349-I372 VanDerWaalsContact CA-O 3.24Å; K349-I372 WeakPolarHBondContact CA-O 2.98Å; G350-I372 PolarHBondContact N-O 2.89Å; G350-I372 WeakPolarHBondContact O-CB 3.02Å; G350-I372 PolarHBondContact O-N 3.31Å; I367-I372 HydrophobicContact CG2-CD1 4.06Å; K370-I372 PolarHBondContact O-N 3.38Å; I372-F374 HydrophobicContact CB-CE2 3.89Å; I372-F374 HydrophobicContact CB-CZ 3.89Å; I372-F374 HydrophobicContact CD1-CZ 4.46Å; I372-F374 HydrophobicContact CG2-CD1 4.3Å; I372-F374 HydrophobicContact CG2-CD2 4.33Å; I372-F374 HydrophobicContact CG2-CE1 3.76Å; I372-F374 HydrophobicContact CG2-CE2 3.79Å; I372-F374 HydrophobicContact CG2-CZ 3.47Å; I372-F374 VanDerWaalsContact CG2-CZ 3.47Å; I372-T380 HydrophobicContact CG2-CG2 3.42Å; I372-T380 VanDerWaalsContact CG2-CG2 3.42Å; I372-M382 HydrophobicContact CD1-CG 4.05Å; I372-M382 HydrophobicContact CD1-SD 3.33Å; I372-M382 WeakPolarHBondContact CD1-SD 3.4Å; I372-M382 HydrophobicContact CG1-CG 4.26Å; I372-M382 HydrophobicContact CG1-SD 4.05Å; I372-M382 HydrophobicContact CG2-SD 4.23Å
373	K	93	Very high	93.8	Very high	117 Å²	117	57.1 Å²	57.1	51%	0.509	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.1	173.9	-61	-176.5	-175.9	179.6	0	109.9	K349 T380	K349-K373 HydrophobicContact CD-CG 4.39Å; K349-K373 HydrophobicContact CG-CG 4.16Å; K373-T380 PolarHBondContact O-OG1 3.47Å; K373-T380 VanDerWaalsContact O-OG1 3.1Å
374	F	93	Very high	93.8	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.7	174.2	-60	-77.3	0	0	0	109.1	V340 T342 E347 Q348 M352 I372 Y400 L412	V340-F374 HydrophobicContact CB-CE1 4.33Å; V340-F374 HydrophobicContact CG1-CD1 4.26Å; V340-F374 HydrophobicContact CG1-CE1 4.03Å; T342-F374 HydrophobicContact CG2-CB 3.98Å; T342-F374 HydrophobicContact CG2-CD1 3.77Å; T342-F374 HydrophobicContact CG2-CG 4.2Å; E347-F374 WeakPolarHBondContact CA-O 3.31Å; Q348-F374 HydrophobicContact CB-CB 4.4Å; Q348-F374 PolarHBondContact N-O 3.31Å; Q348-F374 PolarHBondContact O-N 2.95Å; M352-F374 HydrophobicContact CE-CE1 4.41Å; M352-F374 HydrophobicContact CE-CZ 4.15Å; I372-F374 HydrophobicContact CB-CE2 3.89Å; I372-F374 HydrophobicContact CB-CZ 3.89Å; I372-F374 HydrophobicContact CD1-CZ 4.46Å; I372-F374 HydrophobicContact CG2-CD1 4.3Å; I372-F374 HydrophobicContact CG2-CD2 4.33Å; I372-F374 HydrophobicContact CG2-CE1 3.76Å; I372-F374 HydrophobicContact CG2-CE2 3.79Å; I372-F374 HydrophobicContact CG2-CZ 3.47Å; I372-F374 VanDerWaalsContact CG2-CZ 3.47Å; F374-Y400 HydrophobicContact CD2-CE2 4.34Å; F374-Y400 AromaticContact CE2-CE2 3.99Å; F374-Y400 HydrophobicContact CE2-CE2 3.99Å; F374-L412 HydrophobicContact CB-CD1 3.88Å; F374-L412 HydrophobicContact CD1-CD2 4.17Å; F374-L412 HydrophobicContact CD2-CD1 4.32Å; F374-L412 HydrophobicContact CD2-CD2 4.02Å; F374-L412 HydrophobicContact CE1-CD2 4.31Å; F374-L412 HydrophobicContact CE2-CD2 4.17Å; F374-L412 HydrophobicContact CG-CD1 4.1Å; F374-L412 HydrophobicContact CG-CD2 4.01Å; F374-L412 HydrophobicContact CZ-CD2 4.31Å
375	T	92.6	Very high	93.8	Very high	43 Å²	43	55.7 Å²	55.7	26%	0.264	27%	0.274	S	S	.	.			trans	-112.9	144.3	-179.9	-49.6	0	0	0	0	109.6	T342 D377 K378	T342-T375 PolarHBondContact OG1-O 2.96Å; T342-T375 VanDerWaalsContact OG1-O 3.1Å; T375-D377 PolarHBondContact O-N 3.38Å; T375-K378 HydrophobicContact CG2-CD 4.01Å; T375-K378 HydrophobicContact CG2-CG 4.35Å; T375-K378 PolarHBondContact O-N 2.97Å
376	K	93.6	Very high	93.7	Very high	78 Å²	78	55.6 Å²	55.6	34%	0.339	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-51.3	132.2	176.8	-160	-166.9	170.9	-161.2	0	111.4	N344 K378	N344-K376 VanDerWaalsContact O-CB 3.31Å; N344-K376 WeakPolarHBondContact O-CB 3.42Å; K376-K378 PolarHBondContact O-N 2.78Å
377	D	91.3	Very high	93.6	Very high	85 Å²	85	53 Å²	53	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	13	174	-56.6	-41.6	0	0	0	114.9	T342 W343 T375	T342-D377 PolarHBondContact O-N 3.46Å; W343-D377 WeakPolarHBondContact CZ3-OD1 3.36Å; T375-D377 PolarHBondContact O-N 3.38Å
378	K	92.8	Very high	93.4	Very high	132 Å²	132	60.5 Å²	60.5	57%	0.574	30%	0.295	S	S	*	.			trans	-105.2	138.4	173.7	-65.2	-167.9	178.6	-176.5	0	110.1	T375 K376	T375-K378 HydrophobicContact CG2-CD 4.01Å; T375-K378 HydrophobicContact CG2-CG 4.35Å; T375-K378 PolarHBondContact O-N 2.97Å; K376-K378 PolarHBondContact O-N 2.78Å
379	Q	94.3	Very high	93.4	Very high	111 Å²	111	57.8 Å²	57.8	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.1	167.7	-177.9	176.1	88.7	0	0	108.7	D339	D339-Q379 HydrophobicContact CB-CG 3.89Å
380	T	94.7	Very high	93.5	Very high	25 Å²	25	54.1 Å²	54.1	15%	0.153	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	170.2	-57.8	0	0	0	0	108.4	D339 V340 I372 K373	D339-T380 WeakPolarHBondContact CA-O 3.42Å; V340-T380 PolarHBondContact N-O 2.92Å; V340-T380 PolarHBondContact O-N 3.21Å; I372-T380 HydrophobicContact CG2-CG2 3.42Å; I372-T380 VanDerWaalsContact CG2-CG2 3.42Å; K373-T380 PolarHBondContact O-OG1 3.47Å; K373-T380 VanDerWaalsContact O-OG1 3.1Å
381	T	95.3	Very high	93.3	Very high	41 Å²	41	52.6 Å²	52.6	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.4	-179.3	-60.8	0	0	0	0	110	M289 R337 V338 D339	M289-T381 HydrophobicContact CE-CG2 3.24Å; R337-T381 HydrophobicContact CG-CG2 4.03Å; V338-T381 CarbonylContact O-C 3.58Å; V338-T381 WeakPolarHBondContact O-CA 3.4Å; D339-T381 WeakPolarHBondContact OD1-CB 3.34Å; D339-T381 WeakPolarHBondContact OD1-CG2 3.39Å; D339-T381 PolarHBondContact OD1-OG1 3.27Å
382	M	95.3	Very high	93.4	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.2	179.3	-58.6	165.1	-72.1	0	0	110	V338 V340 M352 I367 I372	V338-M382 HydrophobicContact CB-CB 4.49Å; V338-M382 HydrophobicContact CB-CE 4.23Å; V338-M382 HydrophobicContact CG1-CE 3.87Å; V338-M382 PolarHBondContact N-O 2.96Å; V338-M382 PolarHBondContact O-N 3.35Å; V340-M382 HydrophobicContact CB-CE 4.1Å; V340-M382 HydrophobicContact CG2-CE 3.39Å; M352-M382 HydrophobicContact CE-CE 4.48Å; M352-M382 HydrophobicContact SD-CE 4.14Å; I367-M382 HydrophobicContact CD1-CB 4.26Å; I367-M382 HydrophobicContact CD1-SD 4.43Å; I372-M382 HydrophobicContact CD1-CG 4.05Å; I372-M382 HydrophobicContact CD1-SD 3.33Å; I372-M382 WeakPolarHBondContact CD1-SD 3.4Å; I372-M382 HydrophobicContact CG1-CG 4.26Å; I372-M382 HydrophobicContact CG1-SD 4.05Å; I372-M382 HydrophobicContact CG2-SD 4.23Å
383	L	96.3	Very high	93.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.6	169.2	177.2	63.9	0	0	0	109.6	F283 M289 N335 M385 L422	F283-L383 HydrophobicContact CD1-CD2 4.41Å; F283-L383 HydrophobicContact CD2-CD2 4.12Å; F283-L383 HydrophobicContact CE1-CD2 3.91Å; F283-L383 HydrophobicContact CE2-CD2 3.55Å; F283-L383 HydrophobicContact CZ-CD2 3.45Å; F283-L383 VanDerWaalsContact CZ-CD2 3.45Å; M289-L383 HydrophobicContact CG-CD1 4.35Å; M289-L383 HydrophobicContact SD-CB 4.01Å; M289-L383 HydrophobicContact SD-CD1 3.75Å; M289-L383 HydrophobicContact SD-CG 4.45Å; N335-L383 HydrophobicContact CB-CD1 4.21Å; L383-M385 HydrophobicContact CD1-CG 4.32Å; L383-M385 HydrophobicContact CD2-CE 4.2Å; L383-M385 HydrophobicContact CD2-CG 4.18Å; L383-M385 HydrophobicContact CD2-SD 3.87Å; L383-M385 HydrophobicContact CG-CE 4.46Å; L383-M385 HydrophobicContact CG-CG 3.94Å; L383-M385 HydrophobicContact CG-SD 4.27Å; L383-L422 HydrophobicContact CD1-CD1 3.95Å
384	A	96.6	Very high	93.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.1	172	0	0	0	0	0	109.7	N335 Y336 V338 I354 A365 I367 F386	N335-A384 CarbonylContact C-O 3.5Å; Y336-A384 PolarHBondContact N-O 2.84Å; Y336-A384 PolarHBondContact O-N 3.31Å; V338-A384 HydrophobicContact CG2-CB 3.59Å; I354-A384 HydrophobicContact CD1-CB 4.45Å; A365-A384 HydrophobicContact CB-CB 3.87Å; I367-A384 HydrophobicContact CD1-CB 4.08Å; A384-F386 HydrophobicContact CB-CE2 3.88Å; A384-F386 HydrophobicContact CB-CZ 4.25Å
385	M	95.9	Very high	93.9	Very high	37 Å²	37	56.9 Å²	56.9	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.1	-175.5	-60.2	172.3	-80.1	0	0	109.7	F283 L284 N324 L333 T334 N335 A365 L383	F283-M385 HydrophobicContact CE1-SD 4.37Å; F283-M385 HydrophobicContact CZ-SD 4.3Å; L284-M385 HydrophobicContact CD2-CE 3.82Å; N324-M385 HydrophobicContact CB-CE 4.46Å; N324-M385 HydrophobicContact CB-SD 3.67Å; L333-M385 HydrophobicContact CB-CB 4.27Å; L333-M385 HydrophobicContact CD1-CB 3.86Å; L333-M385 HydrophobicContact CD1-SD 4.33Å; T334-M385 WeakPolarHBondContact O-CA 3.47Å; N335-M385 WeakPolarHBondContact OD1-CG 3.39Å; A365-M385 WeakPolarHBondContact CA-O 3.47Å; A365-M385 VanDerWaalsContact CB-O 3.26Å; A365-M385 WeakPolarHBondContact CB-O 3.5Å; L383-M385 HydrophobicContact CD1-CG 4.32Å; L383-M385 HydrophobicContact CD2-CE 4.2Å; L383-M385 HydrophobicContact CD2-CG 4.18Å; L383-M385 HydrophobicContact CD2-SD 3.87Å; L383-M385 HydrophobicContact CG-CE 4.46Å; L383-M385 HydrophobicContact CG-CG 3.94Å; L383-M385 HydrophobicContact CG-SD 4.27Å
386	F	95.4	Very high	94.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.5	-174.5	-63.5	-86.5	0	0	0	110.5	L333 T334 Y336 I354 I356 S363 A365 A384 R388	L333-F386 CarbonylContact C-O 3.59Å; L333-F386 WeakPolarHBondContact CA-O 3.34Å; T334-F386 PolarHBondContact N-O 3.23Å; T334-F386 PolarHBondContact O-N 3.34Å; Y336-F386 AromaticContact CD2-CD2 3.6Å; Y336-F386 HydrophobicContact CD2-CD2 3.6Å; Y336-F386 AromaticContact CD2-CE2 3.65Å; Y336-F386 HydrophobicContact CD2-CE2 3.65Å; Y336-F386 HydrophobicContact CE2-CD2 4.04Å; Y336-F386 HydrophobicContact CE2-CE2 4.25Å; Y336-F386 HydrophobicContact CG-CD2 4.37Å; Y336-F386 AromaticContact CG-CE2 3.97Å; Y336-F386 HydrophobicContact CG-CE2 3.97Å; I354-F386 HydrophobicContact CB-CZ 4.27Å; I354-F386 HydrophobicContact CG2-CE1 4.42Å; I354-F386 HydrophobicContact CG2-CZ 3.94Å; I354-F386 WeakPolarHBondContact O-CE1 3.5Å; I356-F386 HydrophobicContact CB-CE1 4.37Å; I356-F386 HydrophobicContact CD1-CB 4.46Å; I356-F386 HydrophobicContact CD1-CD1 3.79Å; I356-F386 HydrophobicContact CD1-CD2 4.11Å; I356-F386 HydrophobicContact CD1-CE1 3.98Å; I356-F386 HydrophobicContact CD1-CE2 4.28Å; I356-F386 HydrophobicContact CD1-CG 3.86Å; I356-F386 HydrophobicContact CD1-CZ 4.23Å; I356-F386 HydrophobicContact CG1-CD1 3.77Å; I356-F386 HydrophobicContact CG1-CE1 3.77Å; I356-F386 HydrophobicContact CG1-CG 4.35Å; I356-F386 HydrophobicContact CG1-CZ 4.36Å; I356-F386 HydrophobicContact CG2-CE1 3.92Å; I356-F386 HydrophobicContact CG2-CZ 3.87Å; S363-F386 WeakPolarHBondContact O-CD1 3.48Å; S363-F386 WeakPolarHBondContact OG-CB 3.43Å; A365-F386 HydrophobicContact CB-CD1 3.89Å; A365-F386 HydrophobicContact CB-CD2 4.32Å; A365-F386 HydrophobicContact CB-CE1 3.61Å; A365-F386 HydrophobicContact CB-CE2 4.07Å; A365-F386 HydrophobicContact CB-CG 4.25Å; A365-F386 HydrophobicContact CB-CZ 3.7Å; A384-F386 HydrophobicContact CB-CE2 3.88Å; A384-F386 HydrophobicContact CB-CZ 4.25Å; F386-R388 PolarHBondContact O-N 3.06Å
387	A	92.7	Very high	94.4	Very high	52 Å²	52	51.4 Å²	51.4	43%	0.43	26%	0.261	S	S	.	.	S	Bend	trans	-68.7	-16.3	178.6	0	0	0	0	0	114	L333 S363	L333-A387 HydrophobicContact CD2-CB 4.25Å; S363-A387 PolarHBondContact OG-N 3.31Å
388	R	90.2	Very high	94.7	Very high	166 Å²	166	47.4 Å²	47.4	63%	0.626	24%	0.239	S	C	*	.	S	Bend	trans	-133.5	141.3	177.1	-60.3	178.7	-177.5	-95	-2.1	110.4	S363 F386 I390	S363-R388 PolarHBondContact OG-N 2.95Å; F386-R388 PolarHBondContact O-N 3.06Å; R388-I390 HydrophobicContact CB-CD1 4.09Å; R388-I390 HydrophobicContact CB-CG1 4.47Å; R388-I390 PolarHBondContact O-N 3.1Å
389	N	90.8	Very high	94.9	Very high	76 Å²	76	44.1 Å²	44.1	41%	0.406	23%	0.225	S	C	.	.			trans	-77	106.5	167	-171.1	10.5	0	0	0	109.2	T334 H424	T334-N389 HydrophobicContact CG2-CB 4.4Å; T334-N389 WeakPolarHBondContact OG1-CA 3.36Å; T334-N389 WeakPolarHBondContact OG1-CB 3.41Å; T334-N389 PolarHBondContact OG1-N 3.46Å; N389-H424 PolarHBondContact ND2-NE2 3.3Å
390	I	92.6	Very high	94.9	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	20%	0.2	C	C	.	.			trans	-99.2	112.1	178.3	-58.9	-61.2	0	0	0	108.8	I356 D358 N361 R388 V393	I356-I390 HydrophobicContact CD1-CB 3.88Å; I356-I390 HydrophobicContact CD1-CG1 4.17Å; I356-I390 HydrophobicContact CG1-CB 3.98Å; I356-I390 HydrophobicContact CG1-CG1 4Å; D358-I390 HydrophobicContact CB-CG2 3.9Å; N361-I390 HydrophobicContact CB-CD1 3.72Å; R388-I390 HydrophobicContact CB-CD1 4.09Å; R388-I390 HydrophobicContact CB-CG1 4.47Å; R388-I390 PolarHBondContact O-N 3.1Å; I390-V393 VanDerWaalsContact O-CG2 3.23Å; I390-V393 WeakPolarHBondContact O-CG2 3.24Å
391	Q	88.9	Confident	94.8	Very high	72 Å²	72	40.4 Å²	40.4	34%	0.336	20%	0.204	S	C	.	.	S	Bend	trans	-141	141	174.7	-64.1	-57.1	-30.3	0	0	112.3	Y336 M426	Y336-Q391 PolarHBondContact OH-NE2 3.22Å; Q391-M426 HydrophobicContact CG-CE 4.14Å; Q391-M426 HydrophobicContact CG-SD 3.83Å
392	P	92.9	Very high	94.5	Very high	89 Å²	89	39.2 Å²	39.2	58%	0.578	20%	0.197	S	C	*	.	S	Bend	cis	-72.1	143.3	-10.6	30.9	-34.4	0	0	0	111.4	K394	P392-K394 PolarHBondContact O-N 3.47Å; P392-K394 VanDerWaalsContact O-N 3.15Å
393	V	95.6	Very high	93.8	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.091	22%	0.22	C	C	.	.			trans	-71.2	108.2	174.2	-178.5	0	0	0	0	109.8	I356 I390 T395 V396 L429 P446	I356-V393 HydrophobicContact CB-CG1 4.01Å; I356-V393 HydrophobicContact CB-CG2 4.37Å; I356-V393 HydrophobicContact CD1-CG2 4.42Å; I356-V393 HydrophobicContact CG2-CG1 4.15Å; I390-V393 VanDerWaalsContact O-CG2 3.23Å; I390-V393 WeakPolarHBondContact O-CG2 3.24Å; V393-T395 WeakPolarHBondContact CG1-O 3.4Å; V393-V396 HydrophobicContact CG1-CG2 3.74Å; V393-L429 HydrophobicContact CB-CD1 3.73Å; V393-L429 HydrophobicContact CG1-CD1 4.17Å; V393-L429 HydrophobicContact CG2-CD1 4.17Å; V393-P446 HydrophobicContact CG1-CG 4.3Å
394	K	96.8	Very high	92.3	Very high	118 Å²	118	45.5 Å²	45.5	51%	0.513	25%	0.246	S	C	.	.			trans	-89.5	-35.6	178.9	-65.4	-168	-165.7	146.7	0	112.9	S357 D358 P392 P446	S357-K394 PolarHBondContact O-N 3.48Å; D358-K394 WeakPolarHBondContact O-CD 3.16Å; D358-K394 WeakPolarHBondContact O-CE 3.4Å; D358-K394 PolarHBondContact O-NZ 2.78Å; P392-K394 PolarHBondContact O-N 3.47Å; P392-K394 VanDerWaalsContact O-N 3.15Å; K394-P446 WeakPolarHBondContact O-CD 3.29Å
395	T	97.9	Very high	90.5	Very high	38 Å²	38	48.1 Å²	48.1	23%	0.233	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.3	178.5	55.1	0	0	0	0	111.2	S357 V393 F444 R445	S357-T395 WeakPolarHBondContact CB-OG1 3.5Å; S357-T395 PolarHBondContact N-O 3.01Å; S357-T395 PolarHBondContact O-N 3.25Å; V393-T395 WeakPolarHBondContact CG1-O 3.4Å; T395-F444 WeakPolarHBondContact CA-O 3.32Å; T395-R445 HydrophobicContact CG2-CG 4.43Å
396	V	98.2	Very high	88.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	171.7	-179.1	0	0	0	0	107.7	I354 K355 I356 V393 V398 L419 T443 F444 P446	I354-V396 HydrophobicContact CG2-CG1 3.97Å; K355-V396 CarbonylContact O-C 3.58Å; K355-V396 VanDerWaalsContact O-CA 3.28Å; K355-V396 WeakPolarHBondContact O-CA 3.46Å; I356-V396 HydrophobicContact CG2-CG2 4.31Å; V393-V396 HydrophobicContact CG1-CG2 3.74Å; V396-V398 HydrophobicContact CG1-CG2 4.18Å; V396-L419 HydrophobicContact CG1-CD2 4.26Å; V396-L419 HydrophobicContact CG2-CD2 4.42Å; V396-T443 CarbonylContact O-C 3.58Å; V396-T443 WeakPolarHBondContact O-CA 3.2Å; V396-F444 HydrophobicContact CB-CD2 4.27Å; V396-F444 HydrophobicContact CB-CE1 4.12Å; V396-F444 HydrophobicContact CB-CE2 3.69Å; V396-F444 HydrophobicContact CB-CZ 3.62Å; V396-F444 HydrophobicContact CG1-CE1 4.02Å; V396-F444 HydrophobicContact CG1-CE2 4.16Å; V396-F444 HydrophobicContact CG1-CZ 3.58Å; V396-F444 HydrophobicContact CG2-CE2 4.2Å; V396-F444 HydrophobicContact CG2-CZ 4.45Å; V396-F444 PolarHBondContact N-O 2.8Å; V396-F444 WeakPolarHBondContact O-CD1 3.31Å; V396-F444 PolarHBondContact O-N 3.15Å; V396-P446 HydrophobicContact CG2-CB 4.22Å; V396-P446 HydrophobicContact CG2-CG 3.9Å
397	S	98.1	Very high	86.5	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	171.1	-50.5	0	0	0	0	109.6	I354 K355 F442 T443	I354-S397 CarbonylContact C-O 3.53Å; I354-S397 WeakPolarHBondContact CA-O 3.45Å; K355-S397 PolarHBondContact N-O 3.48Å; K355-S397 PolarHBondContact O-N 3.3Å; S397-F442 CarbonylContact C-O 3.58Å; S397-F442 WeakPolarHBondContact CA-O 3.44Å; S397-T443 WeakPolarHBondContact CB-OG1 3.45Å; S397-T443 WeakPolarHBondContact OG-CG2 3.34Å; S397-T443 PolarHBondContact OG-OG1 3.43Å
398	V	97.7	Very high	85.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	178	-179.6	0	0	0	0	108.8	M352 D353 V396 I417 L436 F442 F444	M352-V398 HydrophobicContact CE-CG1 4.14Å; M352-V398 HydrophobicContact CG-CG1 3.66Å; M352-V398 HydrophobicContact SD-CG1 3.6Å; D353-V398 WeakPolarHBondContact O-CA 2.98Å; V396-V398 HydrophobicContact CG1-CG2 4.18Å; V398-I417 HydrophobicContact CG2-CD1 4.04Å; V398-L436 HydrophobicContact CB-CD2 4.08Å; V398-L436 HydrophobicContact CG1-CD1 3.73Å; V398-L436 HydrophobicContact CG1-CD2 3.96Å; V398-F442 PolarHBondContact N-O 3.4Å; V398-F442 PolarHBondContact O-N 2.82Å; V398-F444 HydrophobicContact CG2-CE1 3.82Å; V398-F444 HydrophobicContact CG2-CZ 4.34Å
399	K	96.4	Very high	84.5	Confident	63 Å²	63	57.4 Å²	57.4	27%	0.274	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.5	175.6	-168.6	173.3	173.6	-157.1	0	109.2	M352 D353 Y401 K439	M352-K399 WeakPolarHBondContact CA-O 3.28Å; D353-K399 HydrophobicContact CB-CB 4.27Å; D353-K399 PolarHBondContact N-O 3.05Å; D353-K399 PolarHBondContact O-N 2.58Å; K399-Y401 HydrophobicContact CB-CE2 4.41Å; K399-Y401 HydrophobicContact CD-CE1 4.44Å; K399-Y401 HydrophobicContact CD-CE2 4.35Å; K399-Y401 VanDerWaalsContact CD-OH 3.25Å; K399-Y401 WeakPolarHBondContact CD-OH 3.11Å; K399-Y401 WeakPolarHBondContact CE-OH 3.17Å; K399-Y401 HydrophobicContact CG-CE2 4.06Å; K399-Y401 PolarHBondContact NZ-OH 3.08Å; K399-K439 WeakPolarHBondContact CE-O 3.24Å
400	Y	94.3	Very high	84.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.5	-178	168	-110	0	0	0	110.8	K349 Y351 F374 L412 N438 K439	K349-Y400 PolarHBondContact O-OH 2.7Å; Y351-Y400 WeakPolarHBondContact O-CD2 3.45Å; F374-Y400 HydrophobicContact CD2-CE2 4.34Å; F374-Y400 AromaticContact CE2-CE2 3.99Å; F374-Y400 HydrophobicContact CE2-CE2 3.99Å; Y400-L412 HydrophobicContact CD1-CB 4.11Å; Y400-L412 HydrophobicContact CD2-CD2 3.99Å; Y400-L412 HydrophobicContact CE1-CB 4.02Å; Y400-L412 HydrophobicContact CE2-CD2 3.97Å; Y400-L412 HydrophobicContact CG-CB 4.42Å; Y400-L412 HydrophobicContact CG-CD2 4.45Å; Y400-N438 CarbonylContact O-C 3.56Å; Y400-N438 WeakPolarHBondContact O-CA 3.43Å; Y400-K439 PolarHBondContact O-N 2.85Å
401	Y	93.1	Very high	84.1	Confident	59 Å²	59	59.9 Å²	59.9	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.4	173.8	-53.9	-96.7	0	0	0	109.2	G350 Y351 D353 K399 N438 K439	G350-Y401 CarbonylContact C-O 3.51Å; G350-Y401 WeakPolarHBondContact CA-O 3.38Å; Y351-Y401 PolarHBondContact N-O 3.13Å; Y351-Y401 PolarHBondContact O-N 2.75Å; D353-Y401 HydrophobicContact CB-CE2 4.4Å; D353-Y401 WeakPolarHBondContact OD2-CE2 3.14Å; D353-Y401 VanDerWaalsContact OD2-CZ 3.28Å; D353-Y401 PolarHBondContact OD2-OH 2.67Å; K399-Y401 HydrophobicContact CB-CE2 4.41Å; K399-Y401 HydrophobicContact CD-CE1 4.44Å; K399-Y401 HydrophobicContact CD-CE2 4.35Å; K399-Y401 VanDerWaalsContact CD-OH 3.25Å; K399-Y401 WeakPolarHBondContact CD-OH 3.11Å; K399-Y401 WeakPolarHBondContact CE-OH 3.17Å; K399-Y401 HydrophobicContact CG-CE2 4.06Å; K399-Y401 PolarHBondContact NZ-OH 3.08Å; Y401-N438 WeakPolarHBondContact CA-OD1 3.13Å; Y401-K439 HydrophobicContact CD1-CG 3.99Å; Y401-K439 HydrophobicContact CE1-CG 4.39Å
402	S	89.6	Confident	84.3	Confident	16 Å²	16	56.4 Å²	56.4	11%	0.112	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.6	175	-178.7	0	0	0	0	111	V404 S410 N438	S402-V404 PolarHBondContact O-N 2.98Å; S402-V404 PolarHBondContact OG-N 3.23Å; S402-S410 WeakPolarHBondContact CB-OG 3.42Å; S402-S410 PolarHBondContact OG-OG 2.79Å; S402-N438 PolarHBondContact N-OD1 2.93Å
403	G	80	Confident	84.4	Confident	49 Å²	49	58 Å²	58	51%	0.505	33%	0.325	S	S	.	.	S	Bend	trans	-72.4	-3.9	171.2	0	0	0	0	0	113.6	K349	K349-G403 WeakPolarHBondContact O-CA 3.34Å; K349-G403 PolarHBondContact O-N 3.35Å
404	V	65.6	Low	84.4	Confident	93 Å²	93	57.4 Å²	57.4	56%	0.564	32%	0.322	S	S	*	.	S	Bend	trans	-99.6	98.9	177.3	-172.5	0	0	0	0	109.6	S402 S408	S402-V404 PolarHBondContact O-N 2.98Å; S402-V404 PolarHBondContact OG-N 3.23Å; V404-S408 WeakPolarHBondContact O-CB 3.27Å; V404-S408 PolarHBondContact O-OG 2.97Å
405	G	57.3	Low	84.3	Confident	54 Å²	54	54.4 Å²	54.4	56%	0.557	31%	0.311	S	S	*	.			trans	55.8	137.6	164.7	0	0	0	0	0	117.7	N407 S408	G405-N407 PolarHBondContact O-N 3.35Å; G405-S408 PolarHBondContact O-N 3.09Å
406	C	54.8	Low	84.3	Confident	104 Å²	104	53 Å²	53	70%	0.703	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.6	-175.1	-72.1	0	0	0	0	116.4	K439	C406-K439 PolarHBondContact O-NZ 2.8Å
407	N	53.9	Low	84.2	Confident	167 Å²	167	53.2 Å²	53.2	89%	0.893	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	16.2	-173.3	-72.6	-4.3	0	0	0	115.2	G405	G405-N407 PolarHBondContact O-N 3.35Å
408	S	63.7	Low	84.2	Confident	33 Å²	33	57.9 Å²	57.9	23%	0.231	32%	0.322	C	S	.	.			trans	-83.5	130.6	-179.7	73.8	0	0	0	0	113.2	V404 G405 S410 N438	V404-S408 WeakPolarHBondContact O-CB 3.27Å; V404-S408 PolarHBondContact O-OG 2.97Å; G405-S408 PolarHBondContact O-N 3.09Å; S408-S410 PolarHBondContact O-N 3.31Å; S408-S410 WeakPolarHBondContact OG-CB 3.22Å; S408-S410 PolarHBondContact OG-OG 2.99Å; S408-N438 PolarHBondContact O-ND2 3.1Å
409	N	75.4	Confident	84.1	Confident	146 Å²	146	58 Å²	58	78%	0.781	32%	0.322	S	S	*	.			trans	-74.3	34.4	163.1	-84.7	-22.6	0	0	0	111.7
410	S	85.4	Confident	84.1	Confident	19 Å²	19	56.2 Å²	56.2	13%	0.133	32%	0.317	C	S	.	.			trans	-62.9	142.1	-176.6	48.6	0	0	0	0	110.6	S402 S408 N438	S402-S410 WeakPolarHBondContact CB-OG 3.42Å; S402-S410 PolarHBondContact OG-OG 2.79Å; S408-S410 PolarHBondContact O-N 3.31Å; S408-S410 WeakPolarHBondContact OG-CB 3.22Å; S408-S410 PolarHBondContact OG-OG 2.99Å; S410-N438 WeakPolarHBondContact O-CB 3.38Å; S410-N438 PolarHBondContact O-N 3.48Å; S410-N438 WeakPolarHBondContact OG-CB 3.22Å
411	K	90.4	Very high	84	Confident	115 Å²	115	56.8 Å²	56.8	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135	-177.4	-60	-179	-179.5	177	0	109.2	N344 L435 L436 V437	N344-K411 PolarHBondContact ND2-O 2.96Å; K411-L435 HydrophobicContact CB-CD1 4Å; K411-L435 HydrophobicContact CD-CD1 4.32Å; K411-L435 HydrophobicContact CD-CD2 4.33Å; K411-L436 CarbonylContact C-O 3.57Å; K411-L436 VanDerWaalsContact CA-O 3.3Å; K411-L436 WeakPolarHBondContact CA-O 3.37Å; K411-V437 HydrophobicContact CG-CG2 4.38Å
412	L	92.8	Very high	83.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.2	171.6	-171	73.5	0	0	0	108.4	T342 Q348 F374 Y400 V414 L436	T342-L412 HydrophobicContact CG2-CD1 4.13Å; T342-L412 HydrophobicContact CG2-CD2 4.31Å; T342-L412 HydrophobicContact CG2-CG 4.24Å; Q348-L412 HydrophobicContact CB-CD1 4Å; Q348-L412 HydrophobicContact CG-CD1 4.08Å; F374-L412 HydrophobicContact CB-CD1 3.88Å; F374-L412 HydrophobicContact CD1-CD2 4.17Å; F374-L412 HydrophobicContact CD2-CD1 4.32Å; F374-L412 HydrophobicContact CD2-CD2 4.02Å; F374-L412 HydrophobicContact CE1-CD2 4.31Å; F374-L412 HydrophobicContact CE2-CD2 4.17Å; F374-L412 HydrophobicContact CG-CD1 4.1Å; F374-L412 HydrophobicContact CG-CD2 4.01Å; F374-L412 HydrophobicContact CZ-CD2 4.31Å; Y400-L412 HydrophobicContact CD1-CB 4.11Å; Y400-L412 HydrophobicContact CD2-CD2 3.99Å; Y400-L412 HydrophobicContact CE1-CB 4.02Å; Y400-L412 HydrophobicContact CE2-CD2 3.97Å; Y400-L412 HydrophobicContact CG-CB 4.42Å; Y400-L412 HydrophobicContact CG-CD2 4.45Å; L412-V414 HydrophobicContact CD2-CG2 4.1Å; L412-V414 HydrophobicContact CG-CG2 4.22Å; L412-L436 HydrophobicContact CB-CB 4.33Å; L412-L436 HydrophobicContact CD2-CD1 4.48Å; L412-L436 PolarHBondContact N-O 2.94Å; L412-L436 PolarHBondContact O-N 2.87Å
413	R	94.6	Very high	83.4	Confident	123 Å²	123	55.3 Å²	55.3	46%	0.464	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.2	175	-174.5	152.4	-175.1	146.9	2	109	T342 W343 N344 D433 L435	T342-R413 CarbonylContact C-O 3.59Å; T342-R413 VanDerWaalsContact CA-O 3.28Å; T342-R413 WeakPolarHBondContact CA-O 3.42Å; T342-R413 WeakPolarHBondContact CB-O 3.2Å; W343-R413 HydrophobicContact CB-CG 4.37Å; W343-R413 PolarHBondContact N-O 3.18Å; N344-R413 PolarHBondContact OD1-N 3.35Å; N344-R413 PolarHBondContact OD1-O 3.27Å; R413-D433 IonicContact NH2-OD1 3.21Å; R413-L435 HydrophobicContact CB-CD1 4.37Å
414	V	95.7	Very high	83.1	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.7	-179.2	173.9	0	0	0	0	108	V340 T341 T342 L412 G416 I417 I434 L436	V340-V414 HydrophobicContact CG1-CB 4.5Å; V340-V414 HydrophobicContact CG1-CG1 3.86Å; V340-V414 HydrophobicContact CG1-CG2 3.92Å; T341-V414 CarbonylContact O-C 3.41Å; T341-V414 WeakPolarHBondContact O-CA 3.19Å; T342-V414 HydrophobicContact CG2-CG2 4.34Å; L412-V414 HydrophobicContact CD2-CG2 4.1Å; L412-V414 HydrophobicContact CG-CG2 4.22Å; V414-G416 WeakPolarHBondContact CG1-O 3.48Å; V414-I417 HydrophobicContact CG1-CB 4.31Å; V414-I434 HydrophobicContact CB-CB 4.18Å; V414-I434 PolarHBondContact N-O 2.86Å; V414-I434 PolarHBondContact O-N 2.63Å; V414-L436 HydrophobicContact CG2-CD1 3.92Å; V414-L436 HydrophobicContact CG2-CG 4.34Å
415	L	95.9	Very high	83.4	Confident	54 Å²	54	63.4 Å²	63.4	28%	0.283	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-39.4	175.5	-65.5	179.6	0	0	0	111.1	T341 W343 Y432 D433	T341-L415 HydrophobicContact CG2-CB 4.45Å; T341-L415 HydrophobicContact CG2-CD1 4.2Å; T341-L415 PolarHBondContact O-N 3.19Å; W343-L415 HydrophobicContact CB-CD1 4.28Å; W343-L415 HydrophobicContact CB-CD2 3.84Å; W343-L415 HydrophobicContact CB-CG 3.95Å; W343-L415 HydrophobicContact CE3-CD1 4.07Å; W343-L415 HydrophobicContact CG-CD2 4.36Å; L415-Y432 VanDerWaalsContact O-CA 3.23Å; L415-Y432 WeakPolarHBondContact O-CA 3.35Å; L415-Y432 WeakPolarHBondContact O-CB 3.5Å; L415-D433 PolarHBondContact O-N 2.98Å
416	G	96.4	Very high	84.6	Confident	10 Å²	10	63.5 Å²	63.5	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	138.7	178.9	0	0	0	0	0	111.1	V340 T341 V414 R431	V340-G416 WeakPolarHBondContact CA-O 3.49Å; T341-G416 PolarHBondContact N-O 2.65Å; V414-G416 WeakPolarHBondContact CG1-O 3.48Å; G416-R431 CarbonylContact C-O 3.59Å; G416-R431 WeakPolarHBondContact CA-O 3.28Å
417	I	97.3	Very high	86.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.3	164.8	-171.8	167.7	0	0	0	108.3	V338 D339 V340 M352 V398 V414 L419 C430 R431 I434 F444	V338-I417 HydrophobicContact CG1-CD1 3.95Å; V338-I417 HydrophobicContact CG1-CG1 3.91Å; D339-I417 CarbonylContact O-C 3.4Å; D339-I417 WeakPolarHBondContact O-CA 3.42Å; V340-I417 HydrophobicContact CG2-CB 4.38Å; V340-I417 HydrophobicContact CG2-CD1 3.96Å; V340-I417 HydrophobicContact CG2-CG1 3.82Å; M352-I417 HydrophobicContact SD-CD1 4.32Å; V398-I417 HydrophobicContact CG2-CD1 4.04Å; V414-I417 HydrophobicContact CG1-CB 4.31Å; I417-L419 HydrophobicContact CD1-CD1 4.2Å; I417-L419 HydrophobicContact CG1-CD1 3.9Å; I417-C430 CarbonylContact O-C 3.19Å; I417-C430 VanDerWaalsContact O-CA 3.28Å; I417-C430 WeakPolarHBondContact O-CA 3.4Å; I417-R431 HydrophobicContact CG2-CB 3.93Å; I417-R431 PolarHBondContact N-O 3.2Å; I417-R431 PolarHBondContact O-N 3.17Å; I417-I434 HydrophobicContact CB-CD1 4.45Å; I417-I434 HydrophobicContact CG2-CD1 3.48Å; I417-I434 VanDerWaalsContact CG2-CD1 3.48Å; I417-F444 HydrophobicContact CG2-CZ 3.91Å
418	R	97.4	Very high	88.2	Confident	104 Å²	104	60 Å²	60	39%	0.392	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.8	177.4	169.4	174.3	176.2	166.2	-2.2	109.3	V338 D339 T420 P428 L429	V338-R418 CarbonylContact C-O 3.49Å; V338-R418 VanDerWaalsContact CA-O 3.31Å; V338-R418 WeakPolarHBondContact CA-O 3.42Å; D339-R418 HydrophobicContact CB-CB 4.28Å; D339-R418 PolarHBondContact N-O 3.38Å; D339-R418 PolarHBondContact O-N 3.11Å; R418-T420 PolarHBondContact NE-OG1 3.43Å; R418-T420 VanDerWaalsContact NE-OG1 3.14Å; R418-P428 HydrophobicContact CG-CB 4.18Å; R418-L429 CarbonylContact C-O 3.59Å; R418-L429 WeakPolarHBondContact CA-O 3.16Å
419	L	96.9	Very high	89.8	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.8	174.2	-73.1	80	0	0	0	107.6	Y336 V338 I354 I356 V396 I417 P428 L429	Y336-L419 HydrophobicContact CD1-CB 4.02Å; Y336-L419 HydrophobicContact CE1-CB 4.49Å; V338-L419 HydrophobicContact CG2-CG 4.37Å; I354-L419 HydrophobicContact CG2-CD2 4.15Å; I356-L419 HydrophobicContact CG2-CD2 4.36Å; V396-L419 HydrophobicContact CG1-CD2 4.26Å; V396-L419 HydrophobicContact CG2-CD2 4.42Å; I417-L419 HydrophobicContact CD1-CD1 4.2Å; I417-L419 HydrophobicContact CG1-CD1 3.9Å; L419-P428 CarbonylContact O-C 3.4Å; L419-P428 WeakPolarHBondContact O-CA 3.17Å; L419-L429 HydrophobicContact CB-CB 4.43Å; L419-L429 PolarHBondContact N-O 2.89Å; L419-L429 PolarHBondContact O-N 3.43Å
420	T	94.9	Very high	90.8	Very high	27 Å²	27	53.1 Å²	53.1	17%	0.166	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.8	178.1	-57.3	0	0	0	0	108.6	Y336 R337 R418 L422 P428	Y336-T420 CarbonylContact C-O 3.58Å; Y336-T420 WeakPolarHBondContact CA-O 2.98Å; R337-T420 PolarHBondContact N-O 3.24Å; R337-T420 PolarHBondContact O-N 3.09Å; R418-T420 PolarHBondContact NE-OG1 3.43Å; R418-T420 VanDerWaalsContact NE-OG1 3.14Å; T420-L422 PolarHBondContact O-N 2.97Å; T420-P428 HydrophobicContact CG2-CG 4.12Å
421	P	92.6	Very high	91.4	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.078	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	130.8	172.3	-21	31.8	0	0	0	109.8	Y336 M426	Y336-P421 HydrophobicContact CD1-CB 4.39Å; Y336-P421 HydrophobicContact CD1-CG 4.13Å; Y336-P421 HydrophobicContact CE1-CB 4Å; Y336-P421 HydrophobicContact CE1-CG 3.52Å; P421-M426 HydrophobicContact CB-CB 4.26Å; P421-M426 HydrophobicContact CB-CE 3.61Å; P421-M426 HydrophobicContact CG-CB 3.85Å; P421-M426 HydrophobicContact CG-CE 3.66Å
422	L	90.1	Very high	91.6	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.131	25%	0.252	C	S	.	.	S	Bend	trans	-89.6	-42.3	176.3	-64.5	174.9	0	0	0	110.2	R273 F275 M289 N335 R337 L383 T420 H424	R273-L422 PolarHBondContact NH1-O 3.17Å; F275-L422 HydrophobicContact CE1-CD1 4.48Å; F275-L422 HydrophobicContact CZ-CB 4.16Å; F275-L422 HydrophobicContact CZ-CD1 4.03Å; M289-L422 HydrophobicContact CB-CD1 3.84Å; M289-L422 HydrophobicContact CB-CD2 4.18Å; M289-L422 HydrophobicContact CG-CD1 3.85Å; M289-L422 HydrophobicContact SD-CD1 3.69Å; N335-L422 HydrophobicContact CB-CB 4.07Å; N335-L422 HydrophobicContact CB-CD1 4.02Å; N335-L422 PolarHBondContact O-N 3.37Å; R337-L422 HydrophobicContact CB-CD1 4.39Å; R337-L422 HydrophobicContact CB-CD2 3.91Å; R337-L422 HydrophobicContact CB-CG 4.26Å; L383-L422 HydrophobicContact CD1-CD1 3.95Å; T420-L422 PolarHBondContact O-N 2.97Å; L422-H424 VanDerWaalsContact C-N 3.35Å; L422-H424 PolarHBondContact O-N 3.44Å
423	D	80.6	Confident	91.7	Very high	18 Å²	18	61.3 Å²	61.3	10%	0.096	28%	0.279	C	S	.	.	S	Bend	trans	-74.5	-20.1	-169.6	-57	-39.9	0	0	0	114.8	R273 T334 N335	R273-D423 IonicContact NE-OD1 2.87Å; R273-D423 PolarHBondContact NH2-O 3.44Å; T334-D423 WeakPolarHBondContact CA-OD2 3.36Å; N335-D423 PolarHBondContact N-OD2 3.37Å; N335-D423 PolarHBondContact ND2-OD1 3.02Å; N335-D423 PolarHBondContact ND2-OD2 3.26Å
424	H	72.7	Confident	91.7	Very high	83 Å²	83	55.6 Å²	55.6	38%	0.384	26%	0.258	S	S	.	.	S	Bend	trans	-133.8	150.9	-177.5	-54	-68.9	0	0	0	111.8	N389 L422 M426	N389-H424 PolarHBondContact ND2-NE2 3.3Å; L422-H424 VanDerWaalsContact C-N 3.35Å; L422-H424 PolarHBondContact O-N 3.44Å; H424-M426 HydrophobicContact CB-CE 4.02Å; H424-M426 HydrophobicContact CB-CG 4.03Å; H424-M426 HydrophobicContact CB-SD 4.41Å; H424-M426 PolarHBondContact O-N 3.31Å
425	K	72.3	Confident	91.7	Very high	229 Å²	229	59.3 Å²	59.3	100%	0.996	28%	0.277	S	S	*	.			trans	-73.7	59.5	174.5	-65.8	-174.7	-180	179.6	0	111.4
426	M	82.3	Confident	91.6	Very high	57 Å²	57	56.9 Å²	56.9	28%	0.281	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-101.5	151.3	177.9	-71.2	-173.4	-54.5	0	0	110.6	Q391 P421 H424	Q391-M426 HydrophobicContact CG-CE 4.14Å; Q391-M426 HydrophobicContact CG-SD 3.83Å; P421-M426 HydrophobicContact CB-CB 4.26Å; P421-M426 HydrophobicContact CB-CE 3.61Å; P421-M426 HydrophobicContact CG-CB 3.85Å; P421-M426 HydrophobicContact CG-CE 3.66Å; H424-M426 HydrophobicContact CB-CE 4.02Å; H424-M426 HydrophobicContact CB-CG 4.03Å; H424-M426 HydrophobicContact CB-SD 4.41Å; H424-M426 PolarHBondContact O-N 3.31Å
427	K	89.1	Confident	91.5	Very high	170 Å²	170	58 Å²	58	74%	0.739	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-66.3	135.6	177.5	-70.6	-170.7	178.7	-174.7	0	110
428	P	94.9	Very high	91.3	Very high	27 Å²	27	58.5 Å²	58.5	18%	0.175	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-58.5	147.5	172.4	-22.6	32.7	0	0	0	111.9	R418 L419 T420 C449	R418-P428 HydrophobicContact CG-CB 4.18Å; L419-P428 CarbonylContact O-C 3.4Å; L419-P428 WeakPolarHBondContact O-CA 3.17Å; T420-P428 HydrophobicContact CG2-CG 4.12Å; P428-C449 HydrophobicContact CB-CB 4.08Å; P428-C449 VanDerWaalsContact CB-SG 3.57Å; P428-C449 PolarHBondContact O-N 3.22Å; P428-C449 PolarHBondContact O-SG 3.12Å; P428-C449 VanDerWaalsContact O-SG 3.41Å
429	L	96.9	Very high	91	Very high	29 Å²	29	58.4 Å²	58.4	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.4	178.8	-69.4	176.2	0	0	0	110.1	V393 R418 L419 P446 I447	V393-L429 HydrophobicContact CB-CD1 3.73Å; V393-L429 HydrophobicContact CG1-CD1 4.17Å; V393-L429 HydrophobicContact CG2-CD1 4.17Å; R418-L429 CarbonylContact C-O 3.59Å; R418-L429 WeakPolarHBondContact CA-O 3.16Å; L419-L429 HydrophobicContact CB-CB 4.43Å; L419-L429 PolarHBondContact N-O 2.89Å; L419-L429 PolarHBondContact O-N 3.43Å; L429-P446 HydrophobicContact CB-CB 3.96Å; L429-P446 HydrophobicContact CD1-CB 4.4Å; L429-P446 HydrophobicContact CD1-CG 4.12Å; L429-P446 HydrophobicContact CD2-CB 4.31Å; L429-P446 HydrophobicContact CD2-CG 4.42Å; L429-P446 HydrophobicContact CG-CB 4.46Å; L429-I447 CarbonylContact C-O 3.56Å; L429-I447 WeakPolarHBondContact CA-O 3.38Å
430	C	97.6	Very high	90.9	Very high	6 Å²	6	64.9 Å²	64.9	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.5	-174.2	-80.8	0	0	0	0	112.4	I417 Y432 I447 C449	I417-C430 CarbonylContact O-C 3.19Å; I417-C430 VanDerWaalsContact O-CA 3.28Å; I417-C430 WeakPolarHBondContact O-CA 3.4Å; C430-Y432 HydrophobicContact CB-CE2 4.01Å; C430-I447 PolarHBondContact N-O 2.95Å; C430-I447 WeakPolarHBondContact O-CG1 3.22Å; C430-I447 PolarHBondContact O-N 3.32Å; C430-C449 HydrophobicContact CB-CB 3.99Å; C430-C449 WeakPolarHBondContact CB-SG 3.34Å; C430-C449 PolarHBondContact N-SG 2.93Å; C430-C449 VanDerWaalsContact N-SG 3.38Å; C430-C449 WeakPolarHBondContact SG-CB 3.37Å; C430-C449 CovalentContact SG-SG 2.03Å; C430-C449 PolarHBondContact SG-SG 3.02Å
431	R	97.1	Very high	90.9	Very high	98 Å²	98	68.5 Å²	68.5	37%	0.37	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.4	162.4	179.6	69.2	-170.2	179.8	2	109.8	G416 I417 I434 F444	G416-R431 CarbonylContact C-O 3.59Å; G416-R431 WeakPolarHBondContact CA-O 3.28Å; I417-R431 HydrophobicContact CG2-CB 3.93Å; I417-R431 PolarHBondContact N-O 3.2Å; I417-R431 PolarHBondContact O-N 3.17Å; R431-I434 HydrophobicContact CB-CD1 3.95Å; R431-I434 HydrophobicContact CG-CD1 3.56Å; R431-I434 HydrophobicContact CG-CG1 3.75Å; R431-F444 HydrophobicContact CB-CD2 3.49Å; R431-F444 VanDerWaalsContact CB-CD2 3.49Å; R431-F444 HydrophobicContact CB-CE1 4.49Å; R431-F444 HydrophobicContact CB-CE2 3.26Å; R431-F444 HydrophobicContact CB-CG 4.22Å; R431-F444 HydrophobicContact CB-CZ 3.81Å; R431-F444 HydrophobicContact CG-CB 4.29Å; R431-F444 HydrophobicContact CG-CD1 4.26Å; R431-F444 HydrophobicContact CG-CD2 3.51Å; R431-F444 HydrophobicContact CG-CE1 4.47Å; R431-F444 HydrophobicContact CG-CE2 3.78Å; R431-F444 HydrophobicContact CG-CG 3.77Å; R431-F444 HydrophobicContact CG-CZ 4.24Å
432	Y	95.9	Very high	91.2	Very high	103 Å²	103	71.2 Å²	71.2	40%	0.404	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	160.1	-177.1	-53.1	-79.1	0	0	0	111.4	L415 C430 I447	L415-Y432 VanDerWaalsContact O-CA 3.23Å; L415-Y432 WeakPolarHBondContact O-CA 3.35Å; L415-Y432 WeakPolarHBondContact O-CB 3.5Å; C430-Y432 HydrophobicContact CB-CE2 4.01Å; Y432-I447 HydrophobicContact CD2-CD1 4.4Å; Y432-I447 HydrophobicContact CE2-CD1 4.16Å
433	D	93.9	Very high	91.5	Very high	105 Å²	105	73.5 Å²	73.5	56%	0.561	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.7	63.6	175.4	-71.5	-53.7	0	0	0	114.2	R413 L415	R413-D433 IonicContact NH2-OD1 3.21Å; L415-D433 PolarHBondContact O-N 2.98Å
434	I	95.2	Very high	92.3	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.5	179.1	-53.3	169.5	0	0	0	109.9	V414 I417 R431 L436 F442 F444	V414-I434 HydrophobicContact CB-CB 4.18Å; V414-I434 PolarHBondContact N-O 2.86Å; V414-I434 PolarHBondContact O-N 2.63Å; I417-I434 HydrophobicContact CB-CD1 4.45Å; I417-I434 HydrophobicContact CG2-CD1 3.48Å; I417-I434 VanDerWaalsContact CG2-CD1 3.48Å; R431-I434 HydrophobicContact CB-CD1 3.95Å; R431-I434 HydrophobicContact CG-CD1 3.56Å; R431-I434 HydrophobicContact CG-CG1 3.75Å; I434-L436 HydrophobicContact CG2-CD2 3.57Å; I434-L436 HydrophobicContact CG2-CG 3.93Å; I434-F442 HydrophobicContact CB-CE1 4.33Å; I434-F442 HydrophobicContact CG1-CE1 4.12Å; I434-F442 HydrophobicContact CG2-CD1 3.47Å; I434-F442 VanDerWaalsContact CG2-CD1 3.47Å; I434-F442 HydrophobicContact CG2-CE1 3.52Å; I434-F442 HydrophobicContact CG2-CG 4.02Å; I434-F442 HydrophobicContact CG2-CZ 4.08Å; I434-F444 HydrophobicContact CD1-CD1 4.37Å; I434-F444 HydrophobicContact CD1-CE1 3.97Å; I434-F444 HydrophobicContact CD1-CZ 4.33Å
435	L	94.9	Very high	93.5	Very high	79 Å²	79	78.9 Å²	78.9	41%	0.414	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	102.1	169.4	-174.9	66.4	0	0	0	109.5	K411 R413	K411-L435 HydrophobicContact CB-CD1 4Å; K411-L435 HydrophobicContact CD-CD1 4.32Å; K411-L435 HydrophobicContact CD-CD2 4.33Å; R413-L435 HydrophobicContact CB-CD1 4.37Å
436	L	94.8	Very high	94.6	Very high	3 Å²	3	69 Å²	69	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	175.3	-58.3	177.4	0	0	0	109.3	M352 V398 K411 L412 V414 I434 F442	M352-L436 HydrophobicContact CE-CD1 4.03Å; V398-L436 HydrophobicContact CB-CD2 4.08Å; V398-L436 HydrophobicContact CG1-CD1 3.73Å; V398-L436 HydrophobicContact CG1-CD2 3.96Å; K411-L436 CarbonylContact C-O 3.57Å; K411-L436 VanDerWaalsContact CA-O 3.3Å; K411-L436 WeakPolarHBondContact CA-O 3.37Å; L412-L436 HydrophobicContact CB-CB 4.33Å; L412-L436 HydrophobicContact CD2-CD1 4.48Å; L412-L436 PolarHBondContact N-O 2.94Å; L412-L436 PolarHBondContact O-N 2.87Å; V414-L436 HydrophobicContact CG2-CD1 3.92Å; V414-L436 HydrophobicContact CG2-CG 4.34Å; I434-L436 HydrophobicContact CG2-CD2 3.57Å; I434-L436 HydrophobicContact CG2-CG 3.93Å; L436-F442 HydrophobicContact CD2-CB 3.77Å; L436-F442 HydrophobicContact CD2-CD1 4.46Å; L436-F442 HydrophobicContact CD2-CG 4.29Å
437	V	93.6	Very high	95.3	Very high	33 Å²	33	70.1 Å²	70.1	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.1	175	-178	0	0	0	0	107.9	K411 K439 K440	K411-V437 HydrophobicContact CG-CG2 4.38Å; V437-K439 PolarHBondContact O-N 3.44Å; V437-K440 HydrophobicContact CB-CB 4.16Å; V437-K440 HydrophobicContact CB-CD 4.06Å; V437-K440 HydrophobicContact CB-CG 4.28Å; V437-K440 HydrophobicContact CG1-CD 3.92Å; V437-K440 HydrophobicContact CG1-CG 4.23Å; V437-K440 PolarHBondContact O-N 2.56Å
438	N	92.8	Very high	95.6	Very high	15 Å²	15	66.2 Å²	66.2	8%	0.08	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	128.8	-178.8	-171.5	29.9	0	0	0	112.4	Y400 Y401 S402 S408 S410 K440	Y400-N438 CarbonylContact O-C 3.56Å; Y400-N438 WeakPolarHBondContact O-CA 3.43Å; Y401-N438 WeakPolarHBondContact CA-OD1 3.13Å; S402-N438 PolarHBondContact N-OD1 2.93Å; S408-N438 PolarHBondContact O-ND2 3.1Å; S410-N438 WeakPolarHBondContact O-CB 3.38Å; S410-N438 PolarHBondContact O-N 3.48Å; S410-N438 WeakPolarHBondContact OG-CB 3.22Å; N438-K440 PolarHBondContact O-N 3.17Å
439	K	92.2	Very high	95.5	Very high	103 Å²	103	66.1 Å²	66.1	45%	0.448	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	3.4	-179.4	-57.7	173.8	177.6	177	0	115.8	K399 Y400 Y401 C406 V437	K399-K439 WeakPolarHBondContact CE-O 3.24Å; Y400-K439 PolarHBondContact O-N 2.85Å; Y401-K439 HydrophobicContact CD1-CG 3.99Å; Y401-K439 HydrophobicContact CE1-CG 4.39Å; C406-K439 PolarHBondContact O-NZ 2.8Å; V437-K439 PolarHBondContact O-N 3.44Å
440	K	93.9	Very high	94.8	Very high	138 Å²	138	72.3 Å²	72.3	60%	0.6	37%	0.371	S	S	*	.			trans	-96.8	133.2	175.6	-64.7	-167.9	174.9	-176	0	110.4	V437 N438	V437-K440 HydrophobicContact CB-CB 4.16Å; V437-K440 HydrophobicContact CB-CD 4.06Å; V437-K440 HydrophobicContact CB-CG 4.28Å; V437-K440 HydrophobicContact CG1-CD 3.92Å; V437-K440 HydrophobicContact CG1-CG 4.23Å; V437-K440 PolarHBondContact O-N 2.56Å; N438-K440 PolarHBondContact O-N 3.17Å
441	E	96.3	Very high	94.7	Very high	103 Å²	103	75.7 Å²	75.7	48%	0.481	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.9	172.8	-169.9	176.5	-106.9	0	0	109.5	K355	K355-E441 IonicContact NZ-OE1 3.61Å; K355-E441 PolarHBondContact NZ-OE1 2.82Å; K355-E441 IonicContact NZ-OE2 2.69Å; K355-E441 PolarHBondContact NZ-OE2 2.6Å
442	F	97.2	Very high	94.6	Very high	69 Å²	69	74.5 Å²	74.5	30%	0.303	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.6	173.4	-179.3	-90.4	0	0	0	109.4	S397 V398 I434 L436 F444	S397-F442 CarbonylContact C-O 3.58Å; S397-F442 WeakPolarHBondContact CA-O 3.44Å; V398-F442 PolarHBondContact N-O 3.4Å; V398-F442 PolarHBondContact O-N 2.82Å; I434-F442 HydrophobicContact CB-CE1 4.33Å; I434-F442 HydrophobicContact CG1-CE1 4.12Å; I434-F442 HydrophobicContact CG2-CD1 3.47Å; I434-F442 VanDerWaalsContact CG2-CD1 3.47Å; I434-F442 HydrophobicContact CG2-CE1 3.52Å; I434-F442 HydrophobicContact CG2-CG 4.02Å; I434-F442 HydrophobicContact CG2-CZ 4.08Å; L436-F442 HydrophobicContact CD2-CB 3.77Å; L436-F442 HydrophobicContact CD2-CD1 4.46Å; L436-F442 HydrophobicContact CD2-CG 4.29Å; F442-F444 AromaticContact CD1-CD1 3.75Å; F442-F444 HydrophobicContact CD1-CD1 3.75Å; F442-F444 HydrophobicContact CD1-CE1 4.45Å; F442-F444 HydrophobicContact CE1-CB 4.07Å; F442-F444 AromaticContact CE1-CD1 3.73Å; F442-F444 HydrophobicContact CE1-CD1 3.73Å; F442-F444 HydrophobicContact CE1-CG 4.3Å
443	T	97.8	Very high	94.5	Very high	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.7	-176.2	-58.6	0	0	0	0	111.2	V396 S397	V396-T443 CarbonylContact O-C 3.58Å; V396-T443 WeakPolarHBondContact O-CA 3.2Å; S397-T443 WeakPolarHBondContact CB-OG1 3.45Å; S397-T443 WeakPolarHBondContact OG-CG2 3.34Å; S397-T443 PolarHBondContact OG-OG1 3.43Å
444	F	97.4	Very high	94.5	Very high	13 Å²	13	71 Å²	71	6%	0.057	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.3	178.4	59.2	-90	0	0	0	112	T395 V396 V398 I417 R431 I434 F442 P446	T395-F444 WeakPolarHBondContact CA-O 3.32Å; V396-F444 HydrophobicContact CB-CD2 4.27Å; V396-F444 HydrophobicContact CB-CE1 4.12Å; V396-F444 HydrophobicContact CB-CE2 3.69Å; V396-F444 HydrophobicContact CB-CZ 3.62Å; V396-F444 HydrophobicContact CG1-CE1 4.02Å; V396-F444 HydrophobicContact CG1-CE2 4.16Å; V396-F444 HydrophobicContact CG1-CZ 3.58Å; V396-F444 HydrophobicContact CG2-CE2 4.2Å; V396-F444 HydrophobicContact CG2-CZ 4.45Å; V396-F444 PolarHBondContact N-O 2.8Å; V396-F444 WeakPolarHBondContact O-CD1 3.31Å; V396-F444 PolarHBondContact O-N 3.15Å; V398-F444 HydrophobicContact CG2-CE1 3.82Å; V398-F444 HydrophobicContact CG2-CZ 4.34Å; I417-F444 HydrophobicContact CG2-CZ 3.91Å; R431-F444 HydrophobicContact CB-CD2 3.49Å; R431-F444 VanDerWaalsContact CB-CD2 3.49Å; R431-F444 HydrophobicContact CB-CE1 4.49Å; R431-F444 HydrophobicContact CB-CE2 3.26Å; R431-F444 HydrophobicContact CB-CG 4.22Å; R431-F444 HydrophobicContact CB-CZ 3.81Å; R431-F444 HydrophobicContact CG-CB 4.29Å; R431-F444 HydrophobicContact CG-CD1 4.26Å; R431-F444 HydrophobicContact CG-CD2 3.51Å; R431-F444 HydrophobicContact CG-CE1 4.47Å; R431-F444 HydrophobicContact CG-CE2 3.78Å; R431-F444 HydrophobicContact CG-CG 3.77Å; R431-F444 HydrophobicContact CG-CZ 4.24Å; I434-F444 HydrophobicContact CD1-CD1 4.37Å; I434-F444 HydrophobicContact CD1-CE1 3.97Å; I434-F444 HydrophobicContact CD1-CZ 4.33Å; F442-F444 AromaticContact CD1-CD1 3.75Å; F442-F444 HydrophobicContact CD1-CD1 3.75Å; F442-F444 HydrophobicContact CD1-CE1 4.45Å; F442-F444 HydrophobicContact CE1-CB 4.07Å; F442-F444 AromaticContact CE1-CD1 3.73Å; F442-F444 HydrophobicContact CE1-CD1 3.73Å; F442-F444 HydrophobicContact CE1-CG 4.3Å; F444-P446 HydrophobicContact CE2-CB 4.23Å
445	R	97.3	Very high	94.5	Very high	202 Å²	202	75.3 Å²	75.3	76%	0.762	40%	0.401	S	S	*	.			trans	-88.2	119.2	165.3	-65.3	-175.6	-177.6	175.2	0.8	108.3	T395	T395-R445 HydrophobicContact CG2-CG 4.43Å
446	P	96.4	Very high	94.4	Very high	20 Å²	20	75 Å²	75	13%	0.13	40%	0.4	C	S	.	.			trans	-70.9	158.4	176.9	31.3	-35	0	0	0	110.7	V393 K394 V396 L429 F444	V393-P446 HydrophobicContact CG1-CG 4.3Å; K394-P446 WeakPolarHBondContact O-CD 3.29Å; V396-P446 HydrophobicContact CG2-CB 4.22Å; V396-P446 HydrophobicContact CG2-CG 3.9Å; L429-P446 HydrophobicContact CB-CB 3.96Å; L429-P446 HydrophobicContact CD1-CB 4.4Å; L429-P446 HydrophobicContact CD1-CG 4.12Å; L429-P446 HydrophobicContact CD2-CB 4.31Å; L429-P446 HydrophobicContact CD2-CG 4.42Å; L429-P446 HydrophobicContact CG-CB 4.46Å; F444-P446 HydrophobicContact CE2-CB 4.23Å
447	I	96.3	Very high	94.4	Very high	81 Å²	81	80.1 Å²	80.1	42%	0.415	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.2	170.4	57.1	172.3	0	0	0	109.4	L429 C430 Y432 C449	L429-I447 CarbonylContact C-O 3.56Å; L429-I447 WeakPolarHBondContact CA-O 3.38Å; C430-I447 PolarHBondContact N-O 2.95Å; C430-I447 WeakPolarHBondContact O-CG1 3.22Å; C430-I447 PolarHBondContact O-N 3.32Å; Y432-I447 HydrophobicContact CD2-CD1 4.4Å; Y432-I447 HydrophobicContact CE2-CD1 4.16Å; I447-C449 PolarHBondContact O-N 3.26Å
448	P	95.3	Very high	94.5	Very high	88 Å²	88	83.8 Å²	83.8	57%	0.571	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	135.3	167.9	-23.9	34.5	0	0	0	110.3
449	C	93.8	Very high	94.6	Very high	25 Å²	25	89.5 Å²	89.5	17%	0.169	48%	0.475	C	S	.	.			trans	-64.6	141.4	172.6	-60.6	0	0	0	0	110.2	P428 C430 I447	P428-C449 HydrophobicContact CB-CB 4.08Å; P428-C449 VanDerWaalsContact CB-SG 3.57Å; P428-C449 PolarHBondContact O-N 3.22Å; P428-C449 PolarHBondContact O-SG 3.12Å; P428-C449 VanDerWaalsContact O-SG 3.41Å; C430-C449 HydrophobicContact CB-CB 3.99Å; C430-C449 WeakPolarHBondContact CB-SG 3.34Å; C430-C449 PolarHBondContact N-SG 2.93Å; C430-C449 VanDerWaalsContact N-SG 3.38Å; C430-C449 WeakPolarHBondContact SG-CB 3.37Å; C430-C449 CovalentContact SG-SG 2.03Å; C430-C449 PolarHBondContact SG-SG 3.02Å; I447-C449 PolarHBondContact O-N 3.26Å
450	A	81.6	Confident	94.8	Very high	160 Å²	160	88.3 Å²	88.3	100%	1.322	48%	0.478	S	S	*	.			trans	-71	0	174.9	0	0	0	0	0	112.4

Retrieved 450 of 450 residues in 877.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).