A0A3Q0KMH9_SCHMA Loading...

Carbonic anhydrase-related

AlphaFold DB , UniProt , Accession A0A3Q0KMH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	37.4	Very low	218 Å²	218	143.4 Å²	143.4	100%	1.074	80%	0.795	S	S	*	*				0	100.9	0	-77.2	175.9	-173.4	0	0	107.7	F3	M1-F3 HydrophobicContact CB-CE2 4.43Å
2	I	37.7	Very low	37	Very low	176 Å²	176	142.8 Å²	142.8	90%	0.903	79%	0.787	S	S	*	*			trans	-92.3	105.5	176.4	-63.2	173.3	0	0	0	105.9	G4	I2-G4 PolarHBondContact O-N 3.05Å
3	F	39.3	Very low	36.5	Very low	181 Å²	181	138.2 Å²	138.2	79%	0.794	77%	0.771	S	S	*	*			trans	-71.8	105.5	176.5	-86.6	-91	0	0	0	108.9	M1 V5	M1-F3 HydrophobicContact CB-CE2 4.43Å; F3-V5 PolarHBondContact O-N 3.3Å
4	G	38.4	Very low	36.3	Very low	69 Å²	69	141.4 Å²	141.4	71%	0.711	77%	0.773	S	S	*	*			trans	-69.4	113.4	170	0	0	0	0	0	110.1	I2 L6	I2-G4 PolarHBondContact O-N 3.05Å; G4-L6 PolarHBondContact O-N 3.11Å; G4-L6 VanDerWaalsContact O-N 3.17Å
5	V	41.8	Very low	35.9	Very low	127 Å²	127	138.7 Å²	138.7	77%	0.77	76%	0.763	S	S	*	*			trans	-76.9	97.3	172.4	179.5	0	0	0	0	107.7	F3 T7	F3-V5 PolarHBondContact O-N 3.3Å; V5-T7 PolarHBondContact O-N 3.47Å; V5-T7 VanDerWaalsContact O-N 3.16Å
6	L	38.6	Very low	35.7	Very low	163 Å²	163	140.4 Å²	140.4	85%	0.853	76%	0.76	S	S	*	*			trans	-71.4	97.7	167.8	-97.3	145.7	0	0	0	108.7	G4 V8	G4-L6 PolarHBondContact O-N 3.11Å; G4-L6 VanDerWaalsContact O-N 3.17Å; L6-V8 PolarHBondContact O-N 3.11Å; L6-V8 VanDerWaalsContact O-N 3.13Å
7	T	38	Very low	35.4	Very low	107 Å²	107	139.4 Å²	139.4	66%	0.656	76%	0.76	S	S	*	*			trans	-70.4	99.5	166.6	32.5	0	0	0	0	109.1	V5 F9	V5-T7 PolarHBondContact O-N 3.47Å; V5-T7 VanDerWaalsContact O-N 3.16Å; T7-F9 PolarHBondContact O-N 3.31Å
8	V	36.7	Very low	35.3	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	76%	0.755	S	S	*	*			trans	-70.1	97	169.6	178.9	0	0	0	0	107.9	L6 A10	L6-V8 PolarHBondContact O-N 3.11Å; L6-V8 VanDerWaalsContact O-N 3.13Å; V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 2.97Å
9	F	34.7	Very low	35.3	Very low	180 Å²	180	136.3 Å²	136.3	79%	0.789	74%	0.74	S	S	*	*			trans	-67.6	93.5	162.5	-84.8	-87.1	0	0	0	108	T7 I11	T7-F9 PolarHBondContact O-N 3.31Å; F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 PolarHBondContact O-N 3.32Å
10	A	32.8	Very low	35.6	Very low	79 Å²	79	138.7 Å²	138.7	65%	0.653	75%	0.751	S	S	*	*			trans	-65.8	93.6	162	0	0	0	0	0	107.4	V8 I12	V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 2.97Å; A10-I12 PolarHBondContact O-N 3Å
11	I	33.5	Very low	36	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	74%	0.744	S	S	*	*			trans	-64.5	94	165.2	-61.3	172.4	0	0	0	105.2	F9 S13	F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 PolarHBondContact O-N 3.32Å; I11-S13 PolarHBondContact O-N 3.28Å
12	I	32.5	Very low	36.8	Very low	136 Å²	136	129.7 Å²	129.7	70%	0.697	71%	0.714	S	S	*	*			trans	-66.4	85.9	163.3	-60.4	172.8	0	0	0	104.6	A10 F14	A10-I12 PolarHBondContact O-N 3Å; I12-F14 HydrophobicContact CG2-CD2 4Å; I12-F14 HydrophobicContact CG2-CE2 4.12Å; I12-F14 PolarHBondContact O-N 3.25Å
13	S	30.3	Very low	38.4	Very low	83 Å²	83	125 Å²	125	58%	0.58	69%	0.693	S	S	*	*			trans	-62	96.5	161.5	-174.3	0	0	0	0	105	I11 T15	I11-S13 PolarHBondContact O-N 3.28Å; S13-T15 PolarHBondContact O-N 3.25Å
14	F	33.4	Very low	40.5	Very low	183 Å²	183	117.3 Å²	117.3	80%	0.803	66%	0.659	S	S	*	*			trans	-58.6	82.5	152.3	-89.2	-90	0	0	0	105.3	I12 K16	I12-F14 HydrophobicContact CG2-CD2 4Å; I12-F14 HydrophobicContact CG2-CE2 4.12Å; I12-F14 PolarHBondContact O-N 3.25Å; F14-K16 PolarHBondContact O-N 3.31Å
15	T	30.4	Very low	42.6	Very low	101 Å²	101	114.9 Å²	114.9	62%	0.62	63%	0.629	S	S	*	*			trans	-55.9	99.4	151.2	46.2	0	0	0	0	103	S13 T17	S13-T15 PolarHBondContact O-N 3.25Å; T15-T17 PolarHBondContact O-N 3.44Å
16	K	32.5	Very low	44.5	Very low	166 Å²	166	110.3 Å²	110.3	72%	0.722	60%	0.599	S	S	*	*			trans	-54.2	90.7	156.5	-82.2	-177.3	175.4	-177.6	0	103	F14 K18	F14-K16 PolarHBondContact O-N 3.31Å; K16-K18 PolarHBondContact O-N 2.89Å
17	T	31.2	Very low	46.2	Very low	123 Å²	123	106 Å²	106	76%	0.755	58%	0.583	S	S	*	*			trans	-60.6	81.9	158	41.7	0	0	0	0	103.6	T15 S19	T15-T17 PolarHBondContact O-N 3.44Å; T17-S19 PolarHBondContact O-N 2.95Å
18	K	34.1	Very low	48	Very low	156 Å²	156	105 Å²	105	68%	0.678	58%	0.581	S	S	*	*			trans	-58.3	90.9	155.6	-78.7	-172.2	172.9	-171.4	0	102.1	K16 L20	K16-K18 PolarHBondContact O-N 2.89Å; K18-L20 PolarHBondContact O-N 3.1Å
19	S	35.2	Very low	50	Low	65 Å²	65	100.9 Å²	100.9	46%	0.455	55%	0.551	S	S	.	*			trans	-47.8	133.2	163.8	61.8	0	0	0	0	104.7	T17 N21	T17-S19 PolarHBondContact O-N 2.95Å; S19-N21 PolarHBondContact O-N 3.39Å; S19-N21 VanDerWaalsContact OG-CB 3.29Å; S19-N21 WeakPolarHBondContact OG-CB 3.34Å; S19-N21 PolarHBondContact OG-ND2 2.61Å
20	L	40.3	Very low	52	Low	183 Å²	183	95.7 Å²	95.7	96%	0.958	53%	0.532	S	S	*	.	S	Bend	trans	-57.1	11.8	171.7	-79	151.9	0	0	0	113.3	K18 A22	K18-L20 PolarHBondContact O-N 3.1Å; L20-A22 PolarHBondContact O-N 3.37Å
21	N	44.2	Very low	54	Low	114 Å²	114	95.1 Å²	95.1	61%	0.61	52%	0.523	S	S	*	.			trans	-55.8	118	165.9	-65.6	-17.2	0	0	0	108.6	S19 V23	S19-N21 PolarHBondContact O-N 3.39Å; S19-N21 VanDerWaalsContact OG-CB 3.29Å; S19-N21 WeakPolarHBondContact OG-CB 3.34Å; S19-N21 PolarHBondContact OG-ND2 2.61Å; N21-V23 VanDerWaalsContact O-CG2 3.25Å; N21-V23 WeakPolarHBondContact O-CG2 3.41Å; N21-V23 PolarHBondContact O-N 3.25Å
22	A	57.4	Low	55.9	Low	55 Å²	55	91.6 Å²	91.6	46%	0.455	51%	0.508	S	S	.	.			trans	-62.1	110.5	171.7	0	0	0	0	0	106.8	L20 F136	L20-A22 PolarHBondContact O-N 3.37Å; A22-F136 HydrophobicContact CB-CD2 3.84Å; A22-F136 HydrophobicContact CB-CE2 3.23Å; A22-F136 HydrophobicContact CB-CZ 4.24Å; A22-F136 WeakPolarHBondContact O-CE2 3.49Å; A22-F136 VanDerWaalsContact O-CZ 3.29Å; A22-F136 WeakPolarHBondContact O-CZ 3.21Å
23	V	71.7	Confident	57.9	Low	76 Å²	76	86.9 Å²	86.9	46%	0.461	48%	0.482	S	S	.	.			trans	-84.2	140.9	-171.3	-172	0	0	0	0	108.8	N21 Q25	N21-V23 VanDerWaalsContact O-CG2 3.25Å; N21-V23 WeakPolarHBondContact O-CG2 3.41Å; N21-V23 PolarHBondContact O-N 3.25Å; V23-Q25 HydrophobicContact CG1-CB 3.87Å; V23-Q25 HydrophobicContact CG1-CG 4.41Å; V23-Q25 PolarHBondContact O-N 3.03Å
24	W	82.7	Confident	60	Low	20 Å²	20	86.1 Å²	86.1	8%	0.076	47%	0.471	C	S	.	.	S	Bend	trans	-65.1	8.9	171.3	-74.3	93.4	0	0	0	114.2	F136 I139 Y166 F176 F246	W24-F136 AromaticContact CD2-CE1 3.58Å; W24-F136 HydrophobicContact CD2-CE1 3.58Å; W24-F136 HydrophobicContact CD2-CZ 4.3Å; W24-F136 AromaticContact CE2-CE1 3.47Å; W24-F136 VanDerWaalsContact CE2-CE1 3.47Å; W24-F136 AromaticContact CE3-CE1 3.85Å; W24-F136 HydrophobicContact CE3-CE1 3.85Å; W24-F136 HydrophobicContact CG-CE1 4.1Å; W24-F136 HydrophobicContact CG-CZ 4.37Å; W24-F136 HydrophobicContact CH2-CD1 4.05Å; W24-F136 AromaticContact CH2-CE1 3.95Å; W24-F136 HydrophobicContact CH2-CE1 3.95Å; W24-F136 HydrophobicContact CZ2-CD1 4.09Å; W24-F136 AromaticContact CZ2-CE1 3.7Å; W24-F136 HydrophobicContact CZ2-CE1 3.7Å; W24-F136 HydrophobicContact CZ3-CD1 4.28Å; W24-F136 HydrophobicContact CZ3-CE1 4.02Å; W24-F136 AromaticContact NE1-CE1 3.88Å; W24-I139 HydrophobicContact CE3-CD1 3.91Å; W24-I139 HydrophobicContact CE3-CG1 4.33Å; W24-I139 HydrophobicContact CH2-CD1 4.01Å; W24-I139 HydrophobicContact CH2-CG1 3.52Å; W24-I139 HydrophobicContact CZ2-CG1 4.07Å; W24-I139 HydrophobicContact CZ3-CD1 3.59Å; W24-I139 HydrophobicContact CZ3-CG1 3.67Å; W24-Y166 AromaticContact CH2-CD2 3.68Å; W24-Y166 HydrophobicContact CH2-CD2 3.68Å; W24-Y166 HydrophobicContact CH2-CE2 4.41Å; W24-Y166 AromaticContact CH2-CG 3.97Å; W24-Y166 HydrophobicContact CH2-CG 3.97Å; W24-Y166 HydrophobicContact CZ3-CD1 4.1Å; W24-Y166 AromaticContact CZ3-CD2 3.54Å; W24-Y166 HydrophobicContact CZ3-CD2 3.54Å; W24-Y166 HydrophobicContact CZ3-CE2 4.06Å; W24-Y166 AromaticContact CZ3-CG 3.57Å; W24-Y166 HydrophobicContact CZ3-CG 3.57Å; W24-F176 HydrophobicContact CE3-CE1 4.27Å; W24-F176 HydrophobicContact CE3-CZ 4.28Å; W24-F176 HydrophobicContact CZ3-CZ 4.3Å; W24-F246 HydrophobicContact CE3-CZ 4.2Å
25	Q	82.6	Confident	62	Low	19 Å²	19	82.5 Å²	82.5	9%	0.089	46%	0.464	C	S	.	.	S	Bend	trans	-132.3	155	-176.6	-63.4	-62.1	-11.1	0	0	109.5	V23 W29 S177 P247	V23-Q25 HydrophobicContact CG1-CB 3.87Å; V23-Q25 HydrophobicContact CG1-CG 4.41Å; V23-Q25 PolarHBondContact O-N 3.03Å; Q25-W29 HydrophobicContact CB-CB 3.66Å; Q25-W29 HydrophobicContact CB-CD2 3.83Å; Q25-W29 HydrophobicContact CB-CE3 4.37Å; Q25-W29 HydrophobicContact CB-CG 3.48Å; Q25-W29 VanDerWaalsContact CB-CG 3.48Å; Q25-W29 HydrophobicContact CG-CB 4.48Å; Q25-W29 HydrophobicContact CG-CD2 3.73Å; Q25-W29 HydrophobicContact CG-CE3 4.32Å; Q25-W29 HydrophobicContact CG-CG 3.78Å; Q25-W29 HydrophobicContact CG-CZ2 4.34Å; Q25-S177 WeakPolarHBondContact O-CB 3.41Å; Q25-S177 PolarHBondContact O-OG 2.9Å; Q25-P247 PolarHBondContact OE1-O 3.05Å
26	E	81.4	Confident	64.3	Low	30 Å²	30	83.6 Å²	83.6	14%	0.14	46%	0.457	C	S	.	.			trans	-69.6	165.6	179.4	65.4	164.8	-161.8	0	0	112.9	S28 W29 S177 L180 S181 Y250	E26-S28 PolarHBondContact O-N 2.99Å; E26-S28 VanDerWaalsContact O-N 3.17Å; E26-S28 PolarHBondContact OE1-OG 2.97Å; E26-W29 HydrophobicContact CG-CB 4.28Å; E26-W29 WeakPolarHBondContact O-CB 3.29Å; E26-W29 PolarHBondContact O-N 3.48Å; E26-S177 VanDerWaalsContact CA-O 3.29Å; E26-S177 WeakPolarHBondContact CA-O 3.43Å; E26-S177 WeakPolarHBondContact CA-OG 3.34Å; E26-L180 HydrophobicContact CB-CB 4.49Å; E26-S181 VanDerWaalsContact OE2-CB 3.31Å; E26-S181 WeakPolarHBondContact OE2-CB 3.49Å; E26-S181 PolarHBondContact OE2-OG 3.34Å; E26-S181 VanDerWaalsContact OE2-OG 3.06Å; E26-Y250 HydrophobicContact CB-CE2 4.39Å; E26-Y250 HydrophobicContact CG-CE2 4.2Å; E26-Y250 PolarHBondContact OE1-OH 3.1Å; E26-Y250 WeakPolarHBondContact OE2-CE2 3.34Å; E26-Y250 PolarHBondContact OE2-OH 3.46Å
27	S	74.4	Confident	66.9	Low	74 Å²	74	76.5 Å²	76.5	52%	0.517	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.7	-173.2	54.3	0	0	0	0	114.4	S177	S27-S177 PolarHBondContact N-OG 3.02Å
28	S	76.7	Confident	69.7	Low	86 Å²	86	73.3 Å²	73.3	60%	0.601	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.3	177.1	32.8	0	0	0	0	113.9	E26 D30	E26-S28 PolarHBondContact O-N 2.99Å; E26-S28 VanDerWaalsContact O-N 3.17Å; E26-S28 PolarHBondContact OE1-OG 2.97Å; S28-D30 PolarHBondContact O-N 3.23Å
29	W	77.6	Confident	72.5	Confident	40 Å²	40	66.6 Å²	66.6	15%	0.152	37%	0.373	C	S	.	.			trans	-62.5	128.4	-178.6	-176.7	-94.6	0	0	0	112.1	Q25 E26 W33 D34 W63 P247 A248	Q25-W29 HydrophobicContact CB-CB 3.66Å; Q25-W29 HydrophobicContact CB-CD2 3.83Å; Q25-W29 HydrophobicContact CB-CE3 4.37Å; Q25-W29 HydrophobicContact CB-CG 3.48Å; Q25-W29 VanDerWaalsContact CB-CG 3.48Å; Q25-W29 HydrophobicContact CG-CB 4.48Å; Q25-W29 HydrophobicContact CG-CD2 3.73Å; Q25-W29 HydrophobicContact CG-CE3 4.32Å; Q25-W29 HydrophobicContact CG-CG 3.78Å; Q25-W29 HydrophobicContact CG-CZ2 4.34Å; E26-W29 HydrophobicContact CG-CB 4.28Å; E26-W29 WeakPolarHBondContact O-CB 3.29Å; E26-W29 PolarHBondContact O-N 3.48Å; W29-W33 HydrophobicContact CH2-CB 4.22Å; W29-W33 HydrophobicContact CZ2-CB 3.59Å; W29-D34 PolarHBondContact NE1-OD1 3.01Å; W29-W63 AromaticContact CE3-NE1 3.99Å; W29-W63 AromaticContact CH2-CE2 3.55Å; W29-W63 AromaticContact CH2-CZ2 3.41Å; W29-W63 HydrophobicContact CH2-CZ2 3.41Å; W29-W63 VanDerWaalsContact CH2-CZ2 3.41Å; W29-W63 AromaticContact CH2-NE1 3.3Å; W29-W63 VanDerWaalsContact CH2-NE1 3.3Å; W29-W63 HydrophobicContact CZ2-CZ2 4.09Å; W29-W63 AromaticContact CZ3-CD1 3.84Å; W29-W63 AromaticContact CZ3-CE2 3.79Å; W29-W63 HydrophobicContact CZ3-CZ2 4.13Å; W29-W63 AromaticContact CZ3-NE1 3.04Å; W29-P247 HydrophobicContact CH2-CB 3.9Å; W29-P247 HydrophobicContact CZ3-CB 4.33Å; W29-A248 HydrophobicContact CZ3-CB 4.37Å
30	D	76.5	Confident	75.1	Confident	72 Å²	72	67.3 Å²	67.3	39%	0.385	37%	0.368	S	S	.	.			trans	-85.5	120.7	169.8	-176.4	5.4	0	0	0	110.2	S28 T32 W33	S28-D30 PolarHBondContact O-N 3.23Å; D30-T32 PolarHBondContact O-N 3.08Å; D30-T32 VanDerWaalsContact O-N 3.12Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.17Å; D30-T32 PolarHBondContact OD1-N 3.29Å; D30-T32 VanDerWaalsContact OD1-N 3.09Å; D30-T32 PolarHBondContact OD1-OG1 2.72Å; D30-T32 PolarHBondContact OD2-OG1 3.44Å; D30-W33 WeakPolarHBondContact O-CB 3.41Å; D30-W33 PolarHBondContact O-N 3.32Å; D30-W33 VanDerWaalsContact O-N 3.08Å
31	S	76.2	Confident	77.3	Confident	66 Å²	66	62.4 Å²	62.4	46%	0.462	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-61.7	-18	179.3	52.5	0	0	0	0	113.8	W33 D34	S31-W33 PolarHBondContact O-N 3.17Å; S31-D34 WeakPolarHBondContact O-CB 3.27Å; S31-D34 PolarHBondContact O-N 3.04Å; S31-D34 VanDerWaalsContact O-N 3.1Å
32	T	74	Confident	79.1	Confident	75 Å²	75	59.9 Å²	59.9	46%	0.46	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.3	173.2	62.8	0	0	0	0	112	D30 D34	D30-T32 PolarHBondContact O-N 3.08Å; D30-T32 VanDerWaalsContact O-N 3.12Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.17Å; D30-T32 PolarHBondContact OD1-N 3.29Å; D30-T32 VanDerWaalsContact OD1-N 3.09Å; D30-T32 PolarHBondContact OD1-OG1 2.72Å; D30-T32 PolarHBondContact OD2-OG1 3.44Å; T32-D34 VanDerWaalsContact C-N 3.33Å; T32-D34 PolarHBondContact O-N 3.3Å
33	W	74.4	Confident	80.3	Confident	38 Å²	38	61.1 Å²	61.1	14%	0.144	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-74.5	-16.3	177.7	-64.8	117.6	0	0	0	114.8	W29 D30 S31 T35 W36 W37 M56 I58 V62 W63	W29-W33 HydrophobicContact CH2-CB 4.22Å; W29-W33 HydrophobicContact CZ2-CB 3.59Å; D30-W33 WeakPolarHBondContact O-CB 3.41Å; D30-W33 PolarHBondContact O-N 3.32Å; D30-W33 VanDerWaalsContact O-N 3.08Å; S31-W33 PolarHBondContact O-N 3.17Å; W33-T35 PolarHBondContact O-N 3.01Å; W33-W36 HydrophobicContact CE3-CB 3.86Å; W33-W36 HydrophobicContact CE3-CD2 4.3Å; W33-W36 AromaticContact CE3-CG 3.96Å; W33-W36 HydrophobicContact CE3-CG 3.96Å; W33-W36 HydrophobicContact CZ3-CB 4.32Å; W33-W36 AromaticContact CZ3-CD2 3.9Å; W33-W36 HydrophobicContact CZ3-CD2 3.9Å; W33-W36 HydrophobicContact CZ3-CE3 4.01Å; W33-W36 HydrophobicContact CZ3-CG 4.05Å; W33-W36 PolarHBondContact O-N 3.46Å; W33-W37 VanDerWaalsContact O-CD1 3.3Å; W33-M56 HydrophobicContact CE3-CE 3.81Å; W33-M56 HydrophobicContact CH2-CE 4.3Å; W33-M56 HydrophobicContact CZ3-CE 3.47Å; W33-M56 VanDerWaalsContact CZ3-CE 3.47Å; W33-I58 HydrophobicContact CH2-CD1 2.99Å; W33-I58 HydrophobicContact CH2-CG1 3.73Å; W33-I58 HydrophobicContact CZ2-CD1 3.68Å; W33-I58 HydrophobicContact CZ2-CG1 4.32Å; W33-I58 HydrophobicContact CZ3-CD1 3.65Å; W33-V62 HydrophobicContact CD2-CG1 4.38Å; W33-V62 HydrophobicContact CZ2-CG1 4.48Å; W33-V62 HydrophobicContact CZ2-CG2 3.95Å; W33-W63 HydrophobicContact CB-CZ2 3.81Å; W33-W63 HydrophobicContact CD2-CZ2 4.24Å; W33-W63 HydrophobicContact CE3-CH2 4.4Å; W33-W63 HydrophobicContact CE3-CZ2 4.36Å; W33-W63 AromaticContact CG-CZ2 3.97Å; W33-W63 HydrophobicContact CG-CZ2 3.97Å
34	D	74	Confident	80.8	Confident	67 Å²	67	62.6 Å²	62.6	36%	0.358	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.8	-172.1	-69	-19.9	0	0	0	113.5	W29 S31 T32 Q109	W29-D34 PolarHBondContact NE1-OD1 3.01Å; S31-D34 WeakPolarHBondContact O-CB 3.27Å; S31-D34 PolarHBondContact O-N 3.04Å; S31-D34 VanDerWaalsContact O-N 3.1Å; T32-D34 VanDerWaalsContact C-N 3.33Å; T32-D34 PolarHBondContact O-N 3.3Å; D34-Q109 PolarHBondContact O-NE2 2.73Å
35	T	74.6	Confident	80.9	Confident	107 Å²	107	62.1 Å²	62.1	66%	0.656	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-108.2	-1.4	178.4	60	0	0	0	0	113.9	W33	W33-T35 PolarHBondContact O-N 3.01Å
36	W	79.3	Confident	81.2	Confident	124 Å²	124	61.2 Å²	61.2	47%	0.47	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.8	-171.4	-89	72.9	0	0	0	114.6	W33 G45 M56	W33-W36 HydrophobicContact CE3-CB 3.86Å; W33-W36 HydrophobicContact CE3-CD2 4.3Å; W33-W36 AromaticContact CE3-CG 3.96Å; W33-W36 HydrophobicContact CE3-CG 3.96Å; W33-W36 HydrophobicContact CZ3-CB 4.32Å; W33-W36 AromaticContact CZ3-CD2 3.9Å; W33-W36 HydrophobicContact CZ3-CD2 3.9Å; W33-W36 HydrophobicContact CZ3-CE3 4.01Å; W33-W36 HydrophobicContact CZ3-CG 4.05Å; W33-W36 PolarHBondContact O-N 3.46Å; W36-G45 VanDerWaalsContact O-CA 3.29Å; W36-G45 WeakPolarHBondContact O-CA 3.24Å; W36-M56 HydrophobicContact CE3-CE 4.32Å
37	W	87.5	Confident	81.7	Confident	16 Å²	16	60.1 Å²	60.1	6%	0.061	34%	0.339	C	S	.	.			trans	-128.2	151.9	-178.7	70.6	-86.4	0	0	0	112.1	W33 Y39 G45 W50 W63 Q109 F246 P247	W33-W37 VanDerWaalsContact O-CD1 3.3Å; W37-Y39 HydrophobicContact CH2-CE2 4.12Å; W37-Y39 HydrophobicContact CZ3-CD2 4.18Å; W37-Y39 HydrophobicContact CZ3-CE1 4.47Å; W37-Y39 AromaticContact CZ3-CE2 3.63Å; W37-Y39 HydrophobicContact CZ3-CE2 3.63Å; W37-Y39 AromaticContact CZ3-CZ 3.8Å; W37-G45 VanDerWaalsContact CA-O 3.29Å; W37-G45 WeakPolarHBondContact CA-O 3.14Å; W37-W50 HydrophobicContact CE3-CH2 4.28Å; W37-W50 AromaticContact CE3-CZ2 3.63Å; W37-W50 HydrophobicContact CE3-CZ2 3.63Å; W37-W50 HydrophobicContact CZ3-CH2 4.34Å; W37-W50 HydrophobicContact CZ3-CZ2 4.1Å; W37-W63 HydrophobicContact CB-CH2 3.86Å; W37-W63 HydrophobicContact CB-CZ3 4.13Å; W37-W63 AromaticContact CD1-CH2 3.92Å; W37-W63 HydrophobicContact CG-CH2 4.13Å; W37-Q109 HydrophobicContact CD2-CG 4.41Å; W37-Q109 HydrophobicContact CE3-CG 4.32Å; W37-Q109 HydrophobicContact CH2-CB 3.88Å; W37-Q109 HydrophobicContact CH2-CG 3.84Å; W37-Q109 HydrophobicContact CZ2-CB 4.3Å; W37-Q109 HydrophobicContact CZ2-CG 3.92Å; W37-Q109 HydrophobicContact CZ3-CB 4.26Å; W37-Q109 HydrophobicContact CZ3-CG 4.05Å; W37-Q109 PolarHBondContact O-NE2 3.33Å; W37-F246 HydrophobicContact CH2-CB 3.84Å; W37-F246 HydrophobicContact CZ3-CB 4.1Å; W37-P247 HydrophobicContact CB-CG 4.11Å; W37-P247 HydrophobicContact CD2-CG 3.75Å; W37-P247 HydrophobicContact CE3-CG 4Å; W37-P247 HydrophobicContact CG-CG 3.8Å
38	H	89.6	Confident	82.3	Confident	57 Å²	57	58.6 Å²	58.6	26%	0.264	33%	0.328	S	S	.	.			trans	-153.1	168.2	176	58.4	48	0	0	0	110.4	K40 I44 G45 G46 P47 W50	H38-K40 VanDerWaalsContact C-N 3.34Å; H38-K40 PolarHBondContact CE1-O 3.09Å; H38-K40 PolarHBondContact ND1-N 3.43Å; H38-K40 VanDerWaalsContact ND1-N 3.18Å; H38-K40 PolarHBondContact ND1-O 3.32Å; H38-K40 PolarHBondContact O-N 3.2Å; H38-I44 PolarHBondContact NE2-O 2.93Å; H38-G45 PolarHBondContact N-O 2.91Å; H38-G45 VanDerWaalsContact O-O 3.07Å; H38-G46 PolarHBondContact CE1-N 3.26Å; H38-G46 VanDerWaalsContact CE1-N 3.34Å; H38-G46 WeakPolarHBondContact O-CA 3.41Å; H38-P47 WeakPolarHBondContact O-CD 3.5Å; H38-W50 WeakPolarHBondContact O-CZ2 3.48Å
39	Y	92.7	Very high	82.8	Confident	15 Å²	15	56.6 Å²	56.6	6%	0.059	31%	0.31	C	S	.	.	S	Bend	trans	-81.7	-7.4	177.7	-73.5	-73	0	0	0	115	W37 E41 W50 K141 P245 F246 D288 N289 Y290 R291	W37-Y39 HydrophobicContact CH2-CE2 4.12Å; W37-Y39 HydrophobicContact CZ3-CD2 4.18Å; W37-Y39 HydrophobicContact CZ3-CE1 4.47Å; W37-Y39 AromaticContact CZ3-CE2 3.63Å; W37-Y39 HydrophobicContact CZ3-CE2 3.63Å; W37-Y39 AromaticContact CZ3-CZ 3.8Å; Y39-E41 PolarHBondContact O-N 3.3Å; Y39-E41 VanDerWaalsContact O-N 3.17Å; Y39-W50 AromaticContact CD1-CH2 3.94Å; Y39-W50 HydrophobicContact CD1-CH2 3.94Å; Y39-W50 HydrophobicContact CD1-CZ2 4.29Å; Y39-W50 AromaticContact CE1-CH2 3.7Å; Y39-W50 HydrophobicContact CE1-CH2 3.7Å; Y39-W50 HydrophobicContact CE1-CZ2 4.38Å; Y39-K141 PolarHBondContact OH-NZ 3.38Å; Y39-P245 WeakPolarHBondContact CE1-O 3.46Å; Y39-P245 PolarHBondContact OH-O 2.93Å; Y39-F246 WeakPolarHBondContact OH-CB 3.49Å; Y39-D288 WeakPolarHBondContact CB-O 3.2Å; Y39-N289 HydrophobicContact CD2-CB 3.89Å; Y39-N289 WeakPolarHBondContact CD2-O 3.13Å; Y39-N289 HydrophobicContact CE2-CB 4.37Å; Y39-N289 VanDerWaalsContact CE2-O 3.31Å; Y39-N289 WeakPolarHBondContact CE2-O 3.47Å; Y39-N289 HydrophobicContact CG-CB 4.49Å; Y39-Y290 VanDerWaalsContact CD1-O 3.29Å; Y39-Y290 WeakPolarHBondContact CD1-O 3.49Å; Y39-R291 HydrophobicContact CD1-CB 4.43Å; Y39-R291 HydrophobicContact CE1-CB 4.2Å
40	K	89.8	Confident	83.4	Confident	80 Å²	80	54.9 Å²	54.9	35%	0.348	30%	0.303	S	S	.	.			trans	-68.8	115	-179.8	-57.2	-58	-178.6	-171.9	0	110.9	H38 G46 A287 D288	H38-K40 VanDerWaalsContact C-N 3.34Å; H38-K40 PolarHBondContact CE1-O 3.09Å; H38-K40 PolarHBondContact ND1-N 3.43Å; H38-K40 VanDerWaalsContact ND1-N 3.18Å; H38-K40 PolarHBondContact ND1-O 3.32Å; H38-K40 PolarHBondContact O-N 3.2Å; K40-G46 WeakPolarHBondContact O-CA 3.32Å; K40-A287 PolarHBondContact NZ-O 3.29Å; K40-D288 IonicContact NZ-OD2 2.84Å
41	E	86.6	Confident	83.5	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	151.9	178.1	-170.8	47.4	-118	0	0	111.7	Y39 V43 S48 I292	Y39-E41 PolarHBondContact O-N 3.3Å; Y39-E41 VanDerWaalsContact O-N 3.17Å; E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.11Å; E41-S48 WeakPolarHBondContact OE1-CB 3.2Å; E41-S48 PolarHBondContact OE1-OG 3.07Å; E41-S48 PolarHBondContact OE2-N 3.39Å; E41-I292 HydrophobicContact CB-CG2 4.36Å; E41-I292 HydrophobicContact CG-CG2 4.06Å
42	G	82.1	Confident	83.4	Confident	61 Å²	61	51.8 Å²	51.8	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	2.8	178	0	0	0	0	0	116.2
43	V	82.6	Confident	82.6	Confident	80 Å²	80	49.4 Å²	49.4	49%	0.485	27%	0.266	S	S	.	.	S	Bend	trans	-121.4	152.4	177.1	-173.5	0	0	0	0	109.6	E41 G45 G46 H49	E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.11Å; V43-G45 PolarHBondContact O-N 3.48Å; V43-G46 WeakPolarHBondContact O-CA 3.09Å; V43-G46 PolarHBondContact O-N 3.22Å; V43-H49 PolarHBondContact O-ND1 3.27Å
44	I	82.1	Confident	81.7	Confident	108 Å²	108	52.6 Å²	52.6	55%	0.554	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	134.2	172.5	-66.4	163.3	0	0	0	109	H38 G46 L55	H38-I44 PolarHBondContact NE2-O 2.93Å; I44-G46 VanDerWaalsContact C-N 3.28Å; I44-L55 HydrophobicContact CG1-CD2 4.18Å
45	G	83.8	Confident	80.7	Confident	10 Å²	10	53.1 Å²	53.1	10%	0.103	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-4.6	-172.2	0	0	0	0	0	114.1	W36 W37 H38 V43 W50	W36-G45 VanDerWaalsContact O-CA 3.29Å; W36-G45 WeakPolarHBondContact O-CA 3.24Å; W37-G45 VanDerWaalsContact CA-O 3.29Å; W37-G45 WeakPolarHBondContact CA-O 3.14Å; H38-G45 PolarHBondContact N-O 2.91Å; H38-G45 VanDerWaalsContact O-O 3.07Å; V43-G45 PolarHBondContact O-N 3.48Å; G45-W50 PolarHBondContact O-NE1 2.69Å
46	G	89.8	Confident	79.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-75.4	164.6	172.3	0	0	0	0	0	114.1	H38 K40 V43 I44 S48 H49 W50	H38-G46 PolarHBondContact CE1-N 3.26Å; H38-G46 VanDerWaalsContact CE1-N 3.34Å; H38-G46 WeakPolarHBondContact O-CA 3.41Å; K40-G46 WeakPolarHBondContact O-CA 3.32Å; V43-G46 WeakPolarHBondContact O-CA 3.09Å; V43-G46 PolarHBondContact O-N 3.22Å; I44-G46 VanDerWaalsContact C-N 3.28Å; G46-S48 PolarHBondContact O-N 3.42Å; G46-H49 PolarHBondContact O-N 3.38Å; G46-W50 VanDerWaalsContact C-NE1 3.34Å; G46-W50 PolarHBondContact O-N 3.4Å; G46-W50 PolarHBondContact O-NE1 2.92Å
47	P	91.1	Very high	78.6	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.039	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.4	-40.9	-173.8	-30.3	37.6	0	0	0	116.5	H38 H49 W50 R291 I292	H38-P47 WeakPolarHBondContact O-CD 3.5Å; P47-H49 PolarHBondContact O-N 3.28Å; P47-W50 HydrophobicContact CB-CD2 4.4Å; P47-W50 HydrophobicContact CB-CE3 4.42Å; P47-W50 HydrophobicContact CB-CH2 4.26Å; P47-W50 HydrophobicContact CB-CZ2 4.22Å; P47-W50 HydrophobicContact CB-CZ3 4.37Å; P47-W50 HydrophobicContact CG-CH2 4.02Å; P47-W50 HydrophobicContact CG-CZ2 3.8Å; P47-W50 PolarHBondContact O-N 2.83Å; P47-R291 HydrophobicContact CB-CG 3.88Å; P47-R291 HydrophobicContact CG-CG 4.28Å; P47-I292 HydrophobicContact CB-CG1 4.36Å
48	S	88.4	Confident	77.1	Confident	42 Å²	42	49 Å²	49	29%	0.294	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.7	-24.6	177	56.4	0	0	0	0	113.8	E41 G46 Q52	E41-S48 WeakPolarHBondContact OE1-CB 3.2Å; E41-S48 PolarHBondContact OE1-OG 3.07Å; E41-S48 PolarHBondContact OE2-N 3.39Å; G46-S48 PolarHBondContact O-N 3.42Å; S48-Q52 PolarHBondContact O-NE2 3.46Å
49	H	86.9	Confident	75.4	Confident	45 Å²	45	52.8 Å²	52.8	21%	0.208	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-98.8	-3.9	-177.4	-60	114.8	0	0	0	113.5	V43 G46 P47 G51 Q52 L55	V43-H49 PolarHBondContact O-ND1 3.27Å; G46-H49 PolarHBondContact O-N 3.38Å; P47-H49 PolarHBondContact O-N 3.28Å; H49-G51 PolarHBondContact O-N 3.38Å; H49-Q52 PolarHBondContact O-N 3.09Å; H49-Q52 VanDerWaalsContact O-N 3.16Å; H49-L55 HydrophobicContact CB-CD2 3.91Å; H49-L55 WeakPolarHBondContact CD2-CD2 3.4Å
50	W	88.5	Confident	73.9	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.011	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	122.8	179.8	-67	-10.8	0	0	0	111.2	W37 H38 Y39 G45 G46 P47 Q52 W63 C66 P247 R291	W37-W50 HydrophobicContact CE3-CH2 4.28Å; W37-W50 AromaticContact CE3-CZ2 3.63Å; W37-W50 HydrophobicContact CE3-CZ2 3.63Å; W37-W50 HydrophobicContact CZ3-CH2 4.34Å; W37-W50 HydrophobicContact CZ3-CZ2 4.1Å; H38-W50 WeakPolarHBondContact O-CZ2 3.48Å; Y39-W50 AromaticContact CD1-CH2 3.94Å; Y39-W50 HydrophobicContact CD1-CH2 3.94Å; Y39-W50 HydrophobicContact CD1-CZ2 4.29Å; Y39-W50 AromaticContact CE1-CH2 3.7Å; Y39-W50 HydrophobicContact CE1-CH2 3.7Å; Y39-W50 HydrophobicContact CE1-CZ2 4.38Å; G45-W50 PolarHBondContact O-NE1 2.69Å; G46-W50 VanDerWaalsContact C-NE1 3.34Å; G46-W50 PolarHBondContact O-N 3.4Å; G46-W50 PolarHBondContact O-NE1 2.92Å; P47-W50 HydrophobicContact CB-CD2 4.4Å; P47-W50 HydrophobicContact CB-CE3 4.42Å; P47-W50 HydrophobicContact CB-CH2 4.26Å; P47-W50 HydrophobicContact CB-CZ2 4.22Å; P47-W50 HydrophobicContact CB-CZ3 4.37Å; P47-W50 HydrophobicContact CG-CH2 4.02Å; P47-W50 HydrophobicContact CG-CZ2 3.8Å; P47-W50 PolarHBondContact O-N 2.83Å; W50-Q52 VanDerWaalsContact C-N 3.32Å; W50-Q52 PolarHBondContact O-N 2.92Å; W50-W63 HydrophobicContact CB-CE3 4.13Å; W50-W63 HydrophobicContact CG-CE3 4.45Å; W50-W63 HydrophobicContact CG-CZ3 4.46Å; W50-C66 HydrophobicContact CB-CB 3.79Å; W50-C66 VanDerWaalsContact O-CB 3.3Å; W50-C66 WeakPolarHBondContact O-CB 3.44Å; W50-P247 HydrophobicContact CD2-CG 3.6Å; W50-P247 HydrophobicContact CE3-CG 3.88Å; W50-P247 HydrophobicContact CG-CG 3.98Å; W50-P247 HydrophobicContact CH2-CG 4.47Å; W50-P247 HydrophobicContact CZ2-CG 4.24Å; W50-P247 HydrophobicContact CZ3-CG 4.3Å; W50-R291 HydrophobicContact CH2-CG 4.16Å; W50-R291 HydrophobicContact CZ3-CG 3.85Å
51	G	79	Confident	72.7	Confident	7 Å²	7	58.7 Å²	58.7	7%	0.072	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	10.4	179.3	0	0	0	0	0	116	H49 T53 V62	H49-G51 PolarHBondContact O-N 3.38Å; G51-T53 PolarHBondContact O-N 2.8Å; G51-V62 WeakPolarHBondContact CA-O 3.15Å
52	Q	75.2	Confident	72.3	Confident	66 Å²	66	55.9 Å²	55.9	31%	0.308	35%	0.352	S	S	.	.			trans	-85	83.8	168.9	-60.8	-170.3	22.7	0	0	109.9	S48 H49 W50 A54 L55 M56 Y67	S48-Q52 PolarHBondContact O-NE2 3.46Å; H49-Q52 PolarHBondContact O-N 3.09Å; H49-Q52 VanDerWaalsContact O-N 3.16Å; W50-Q52 VanDerWaalsContact C-N 3.32Å; W50-Q52 PolarHBondContact O-N 2.92Å; Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 2.77Å; Q52-L55 HydrophobicContact CB-CB 4.38Å; Q52-L55 WeakPolarHBondContact O-CB 3.33Å; Q52-L55 PolarHBondContact O-N 3.12Å; Q52-M56 WeakPolarHBondContact O-CG 3.41Å; Q52-M56 PolarHBondContact O-N 2.78Å; Q52-Y67 HydrophobicContact CG-CD2 4.08Å
53	T	57.4	Low	72.4	Confident	26 Å²	26	53.9 Å²	53.9	16%	0.16	33%	0.326	C	S	.	.	H	α-helix	trans	-53.1	-37.7	-178.4	43.6	0	0	0	0	114.9	G51 L55 M56 A57 N60 D61	G51-T53 PolarHBondContact O-N 2.8Å; T53-L55 PolarHBondContact O-N 3.22Å; T53-M56 CarbonylContact O-C 3.49Å; T53-M56 WeakPolarHBondContact O-CA 3.2Å; T53-M56 PolarHBondContact O-N 3.19Å; T53-A57 PolarHBondContact O-N 3.07Å; T53-N60 WeakPolarHBondContact CG2-O 3.09Å; T53-D61 VanDerWaalsContact CG2-CA 3.47Å
54	A	54.9	Low	72.6	Confident	104 Å²	104	52.3 Å²	52.3	86%	0.86	32%	0.319	S	S	*	.	H	α-helix	trans	-58.8	-29.5	176.5	0	0	0	0	0	112.6	Q52	Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 2.77Å
55	L	53.5	Low	73	Confident	78 Å²	78	48 Å²	48	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-87	-18.6	174.7	-156.7	76.7	0	0	0	112.6	I44 H49 Q52 T53	I44-L55 HydrophobicContact CG1-CD2 4.18Å; H49-L55 HydrophobicContact CB-CD2 3.91Å; H49-L55 WeakPolarHBondContact CD2-CD2 3.4Å; Q52-L55 HydrophobicContact CB-CB 4.38Å; Q52-L55 WeakPolarHBondContact O-CB 3.33Å; Q52-L55 PolarHBondContact O-N 3.12Å; T53-L55 PolarHBondContact O-N 3.22Å
56	M	53.9	Low	73.4	Confident	18 Å²	18	48.1 Å²	48.1	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-99.1	-0.5	-176.6	-60	-180	71	0	0	113.7	W33 W36 Q52 T53 I58 W63	W33-M56 HydrophobicContact CE3-CE 3.81Å; W33-M56 HydrophobicContact CH2-CE 4.3Å; W33-M56 HydrophobicContact CZ3-CE 3.47Å; W33-M56 VanDerWaalsContact CZ3-CE 3.47Å; W36-M56 HydrophobicContact CE3-CE 4.32Å; Q52-M56 WeakPolarHBondContact O-CG 3.41Å; Q52-M56 PolarHBondContact O-N 2.78Å; T53-M56 CarbonylContact O-C 3.49Å; T53-M56 WeakPolarHBondContact O-CA 3.2Å; T53-M56 PolarHBondContact O-N 3.19Å; M56-I58 VanDerWaalsContact C-N 3.29Å; M56-I58 HydrophobicContact CB-CD1 3.44Å; M56-I58 VanDerWaalsContact CB-CD1 3.44Å; M56-I58 HydrophobicContact CB-CG1 4.28Å; M56-I58 HydrophobicContact CE-CD1 4.02Å; M56-I58 HydrophobicContact CG-CD1 4.49Å; M56-I58 WeakPolarHBondContact O-CG1 3.2Å; M56-I58 PolarHBondContact O-N 3.4Å; M56-I58 HydrophobicContact SD-CD1 4.45Å; M56-W63 HydrophobicContact CE-CH2 4.34Å; M56-W63 HydrophobicContact CE-CZ3 4.1Å
57	A	55.2	Low	73.2	Confident	100 Å²	100	55.6 Å²	55.6	83%	0.826	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	36.4	-178.5	0	0	0	0	0	114.5	T53	T53-A57 PolarHBondContact O-N 3.07Å
58	I	56.2	Low	73.1	Confident	44 Å²	44	60.4 Å²	60.4	23%	0.226	35%	0.35	C	S	.	.			trans	-118.8	140.1	179.7	-54.1	141.4	0	0	0	109.2	W33 M56 V62	W33-I58 HydrophobicContact CH2-CD1 2.99Å; W33-I58 HydrophobicContact CH2-CG1 3.73Å; W33-I58 HydrophobicContact CZ2-CD1 3.68Å; W33-I58 HydrophobicContact CZ2-CG1 4.32Å; W33-I58 HydrophobicContact CZ3-CD1 3.65Å; M56-I58 VanDerWaalsContact C-N 3.29Å; M56-I58 HydrophobicContact CB-CD1 3.44Å; M56-I58 VanDerWaalsContact CB-CD1 3.44Å; M56-I58 HydrophobicContact CB-CG1 4.28Å; M56-I58 HydrophobicContact CE-CD1 4.02Å; M56-I58 HydrophobicContact CG-CD1 4.49Å; M56-I58 WeakPolarHBondContact O-CG1 3.2Å; M56-I58 PolarHBondContact O-N 3.4Å; M56-I58 HydrophobicContact SD-CD1 4.45Å; I58-V62 HydrophobicContact CD1-CG2 4.05Å; I58-V62 HydrophobicContact CG2-CG2 4.05Å
59	T	53.8	Low	73.3	Confident	136 Å²	136	59.1 Å²	59.1	83%	0.834	34%	0.343	S	S	*	.	S	Bend	trans	-77.2	-17.8	-177.2	56.2	0	0	0	0	114.4
60	N	62.1	Low	73.8	Confident	115 Å²	115	63.7 Å²	63.7	62%	0.615	36%	0.362	S	S	*	.	S	Bend	trans	-110.5	137.2	-176.1	-65.1	-10.3	0	0	0	110.4	T53 V62	T53-N60 WeakPolarHBondContact CG2-O 3.09Å; N60-V62 VanDerWaalsContact C-N 3.29Å; N60-V62 WeakPolarHBondContact O-CG2 3.46Å; N60-V62 PolarHBondContact O-N 2.8Å
61	D	63.5	Low	74.1	Confident	103 Å²	103	67 Å²	67	55%	0.551	38%	0.379	S	S	*	.			trans	-56.7	83.4	174.1	-75.2	-18.9	0	0	0	112.3	T53	T53-D61 VanDerWaalsContact CG2-CA 3.47Å
62	V	77.3	Confident	75	Confident	21 Å²	21	67.1 Å²	67.1	13%	0.127	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	133.2	170.9	-179.8	0	0	0	0	108	W33 G51 I58 N60 S64	W33-V62 HydrophobicContact CD2-CG1 4.38Å; W33-V62 HydrophobicContact CZ2-CG1 4.48Å; W33-V62 HydrophobicContact CZ2-CG2 3.95Å; G51-V62 WeakPolarHBondContact CA-O 3.15Å; I58-V62 HydrophobicContact CD1-CG2 4.05Å; I58-V62 HydrophobicContact CG2-CG2 4.05Å; N60-V62 VanDerWaalsContact C-N 3.29Å; N60-V62 WeakPolarHBondContact O-CG2 3.46Å; N60-V62 PolarHBondContact O-N 2.8Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.42Å
63	W	85.9	Confident	76.1	Confident	19 Å²	19	64 Å²	64	7%	0.072	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	42	176.4	-42.8	-32.6	0	0	0	115.2	W29 W33 W37 W50 M56 A65 C66 P247 A248	W29-W63 AromaticContact CE3-NE1 3.99Å; W29-W63 AromaticContact CH2-CE2 3.55Å; W29-W63 AromaticContact CH2-CZ2 3.41Å; W29-W63 HydrophobicContact CH2-CZ2 3.41Å; W29-W63 VanDerWaalsContact CH2-CZ2 3.41Å; W29-W63 AromaticContact CH2-NE1 3.3Å; W29-W63 VanDerWaalsContact CH2-NE1 3.3Å; W29-W63 HydrophobicContact CZ2-CZ2 4.09Å; W29-W63 AromaticContact CZ3-CD1 3.84Å; W29-W63 AromaticContact CZ3-CE2 3.79Å; W29-W63 HydrophobicContact CZ3-CZ2 4.13Å; W29-W63 AromaticContact CZ3-NE1 3.04Å; W33-W63 HydrophobicContact CB-CZ2 3.81Å; W33-W63 HydrophobicContact CD2-CZ2 4.24Å; W33-W63 HydrophobicContact CE3-CH2 4.4Å; W33-W63 HydrophobicContact CE3-CZ2 4.36Å; W33-W63 AromaticContact CG-CZ2 3.97Å; W33-W63 HydrophobicContact CG-CZ2 3.97Å; W37-W63 HydrophobicContact CB-CH2 3.86Å; W37-W63 HydrophobicContact CB-CZ3 4.13Å; W37-W63 AromaticContact CD1-CH2 3.92Å; W37-W63 HydrophobicContact CG-CH2 4.13Å; W50-W63 HydrophobicContact CB-CE3 4.13Å; W50-W63 HydrophobicContact CG-CE3 4.45Å; W50-W63 HydrophobicContact CG-CZ3 4.46Å; M56-W63 HydrophobicContact CE-CH2 4.34Å; M56-W63 HydrophobicContact CE-CZ3 4.1Å; W63-A65 PolarHBondContact O-N 2.84Å; W63-C66 HydrophobicContact CB-CB 4.43Å; W63-C66 WeakPolarHBondContact O-CB 3.44Å; W63-C66 PolarHBondContact O-N 3.25Å; W63-P247 HydrophobicContact CD2-CB 3.62Å; W63-P247 HydrophobicContact CD2-CG 4.31Å; W63-P247 HydrophobicContact CE3-CB 3.83Å; W63-P247 HydrophobicContact CE3-CG 4Å; W63-P247 HydrophobicContact CG-CB 4.15Å; W63-P247 HydrophobicContact CH2-CB 4.04Å; W63-P247 HydrophobicContact CH2-CG 4.13Å; W63-P247 HydrophobicContact CZ2-CB 3.79Å; W63-P247 HydrophobicContact CZ2-CG 4.38Å; W63-P247 HydrophobicContact CZ3-CB 4.05Å; W63-P247 HydrophobicContact CZ3-CG 3.92Å; W63-A248 HydrophobicContact CB-CB 4.13Å; W63-A248 HydrophobicContact CG-CB 3.95Å
64	S	86.2	Confident	78	Confident	48 Å²	48	62.7 Å²	62.7	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-50.2	-34	-177.6	60.3	0	0	0	0	113.7	V62 C66 Y67 Q68	V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.42Å; S64-C66 VanDerWaalsContact C-N 3.25Å; S64-C66 PolarHBondContact O-N 2.79Å; S64-Y67 PolarHBondContact O-N 3.36Å; S64-Q68 VanDerWaalsContact O-CB 3.31Å; S64-Q68 WeakPolarHBondContact O-CB 3.35Å; S64-Q68 PolarHBondContact O-N 2.89Å
65	A	90.8	Very high	80.1	Confident	18 Å²	18	57.8 Å²	57.8	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-31.6	176.9	0	0	0	0	0	113.3	W63 Y67 G69 Q72 C249	W63-A65 PolarHBondContact O-N 2.84Å; A65-Y67 VanDerWaalsContact C-N 3.28Å; A65-Y67 PolarHBondContact O-N 3.44Å; A65-G69 VanDerWaalsContact O-CA 3.24Å; A65-G69 WeakPolarHBondContact O-CA 3.48Å; A65-G69 PolarHBondContact O-N 3.09Å; A65-Q72 VanDerWaalsContact O-CD 3.26Å; A65-Q72 PolarHBondContact O-NE2 3.49Å; A65-C249 WeakPolarHBondContact CB-O 3.09Å
66	C	91.3	Very high	82.2	Confident	12 Å²	12	56.9 Å²	56.9	8%	0.081	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-34.5	178.5	-63	0	0	0	0	112.9	W50 W63 S64 A248 C249	W50-C66 HydrophobicContact CB-CB 3.79Å; W50-C66 VanDerWaalsContact O-CB 3.3Å; W50-C66 WeakPolarHBondContact O-CB 3.44Å; W63-C66 HydrophobicContact CB-CB 4.43Å; W63-C66 WeakPolarHBondContact O-CB 3.44Å; W63-C66 PolarHBondContact O-N 3.25Å; S64-C66 VanDerWaalsContact C-N 3.25Å; S64-C66 PolarHBondContact O-N 2.79Å; C66-A248 VanDerWaalsContact SG-C 3.54Å; C66-C249 VanDerWaalsContact CA-SG 3.54Å; C66-C249 HydrophobicContact CB-CB 3.79Å; C66-C249 WeakPolarHBondContact CB-SG 3.43Å; C66-C249 WeakPolarHBondContact SG-CB 3.5Å; C66-C249 CovalentContact SG-SG 2.03Å; C66-C249 PolarHBondContact SG-SG 2.71Å
67	Y	86.4	Confident	84.3	Confident	157 Å²	157	56 Å²	56	62%	0.616	31%	0.305	S	S	*	.	H	α-helix	trans	-103.3	-38.6	-177.7	179.5	-102.3	0	0	0	113.1	Q52 S64 A65	Q52-Y67 HydrophobicContact CG-CD2 4.08Å; S64-Y67 PolarHBondContact O-N 3.36Å; A65-Y67 VanDerWaalsContact C-N 3.28Å; A65-Y67 PolarHBondContact O-N 3.44Å
68	Q	89.3	Confident	86.2	Confident	107 Å²	107	52.6 Å²	52.6	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-90.6	-21.4	-175.3	-59.4	-179.2	0.1	0	0	113	S64	S64-Q68 VanDerWaalsContact O-CB 3.31Å; S64-Q68 WeakPolarHBondContact O-CB 3.35Å; S64-Q68 PolarHBondContact O-N 2.89Å
69	G	92.9	Very high	87.9	Confident	15 Å²	15	53.2 Å²	53.2	16%	0.155	28%	0.282	C	S	.	.			trans	-56.8	145.8	-176.3	0	0	0	0	0	114	A65 E251	A65-G69 VanDerWaalsContact O-CA 3.24Å; A65-G69 WeakPolarHBondContact O-CA 3.48Å; A65-G69 PolarHBondContact O-N 3.09Å; G69-E251 WeakPolarHBondContact CA-OE1 3.43Å
70	K	95.5	Very high	89.7	Confident	140 Å²	140	54.5 Å²	54.5	61%	0.609	28%	0.276	S	S	*	.	S	Bend	trans	-111.4	-5.3	-179.8	-58.4	-55.8	177.4	-157.7	0	113.3	E251 N297	K70-E251 PolarHBondContact N-OE1 3.18Å; K70-E251 PolarHBondContact N-OE2 2.91Å; K70-N297 PolarHBondContact O-ND2 3.32Å
71	M	96.6	Very high	91.2	Very high	74 Å²	74	55.1 Å²	55.1	37%	0.365	28%	0.275	S	S	.	.	S	Bend	trans	-123.5	37.9	-179.9	-54.3	-172.7	-72.3	0	0	110.9	G242 S243 E251 R299	M71-G242 CarbonylContact O-C 3.23Å; M71-G242 VanDerWaalsContact O-C 3.23Å; M71-G242 WeakPolarHBondContact O-CA 3.44Å; M71-S243 PolarHBondContact O-N 2.92Å; M71-E251 WeakPolarHBondContact CA-OE1 3.41Å; M71-E251 HydrophobicContact CB-CB 4.23Å; M71-E251 HydrophobicContact CB-CG 4.37Å; M71-E251 HydrophobicContact CE-CB 4.09Å; M71-E251 VanDerWaalsContact N-CD 3.28Å; M71-E251 PolarHBondContact N-OE1 2.97Å; M71-E251 PolarHBondContact N-OE2 3.43Å; M71-R299 VanDerWaalsContact CA-CZ 3.48Å; M71-R299 HydrophobicContact CG-CG 4.44Å; M71-R299 PolarHBondContact O-NH1 3.33Å
72	Q	97.2	Very high	92.7	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.037	26%	0.255	C	S	.	.			trans	-69.9	148.9	-179.1	-68	-64.7	-66.8	0	0	113.3	A65 S243 C249 E251 Q294 R299	A65-Q72 VanDerWaalsContact O-CD 3.26Å; A65-Q72 PolarHBondContact O-NE2 3.49Å; Q72-S243 WeakPolarHBondContact CA-OG 3.39Å; Q72-C249 PolarHBondContact NE2-O 2.77Å; Q72-E251 PolarHBondContact N-OE1 2.99Å; Q72-E251 PolarHBondContact NE2-OE1 2.86Å; Q72-Q294 HydrophobicContact CB-CB 3.81Å; Q72-Q294 HydrophobicContact CB-CG 3.78Å; Q72-R299 PolarHBondContact O-NH1 2.87Å; Q72-R299 PolarHBondContact O-NH2 3.27Å
73	S	98.1	Very high	93.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-125.1	155.9	178.6	-68.3	0	0	0	0	110.6	Y240 G242 S243 W255 R291 Q294	S73-Y240 WeakPolarHBondContact CB-OH 3.17Å; S73-Y240 WeakPolarHBondContact OG-CE2 3.32Å; S73-Y240 PolarHBondContact OG-OH 3.48Å; S73-G242 WeakPolarHBondContact OG-CA 3.44Å; S73-S243 VanDerWaalsContact CB-O 3.25Å; S73-S243 WeakPolarHBondContact CB-O 3.32Å; S73-S243 PolarHBondContact N-OG 3.46Å; S73-S243 PolarHBondContact OG-N 2.88Å; S73-W255 PolarHBondContact OG-NE1 3.42Å; S73-R291 VanDerWaalsContact O-CD 3.31Å; S73-R291 WeakPolarHBondContact O-CD 3.46Å; S73-R291 PolarHBondContact O-NH1 3.49Å; S73-Q294 WeakPolarHBondContact O-CG 3.42Å
74	P	98.1	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.			cis	-80	170	1.6	32.9	-36.6	0	0	0	113.6	D151 R291 I293 Q294	P74-D151 HydrophobicContact CB-CB 3.82Å; P74-D151 WeakPolarHBondContact CB-O 3.42Å; P74-D151 VanDerWaalsContact CG-C 3.49Å; P74-D151 HydrophobicContact CG-CB 3.81Å; P74-D151 WeakPolarHBondContact CG-O 3.4Å; P74-R291 HydrophobicContact CG-CB 4.43Å; P74-I293 HydrophobicContact CB-CD1 4.45Å; P74-I293 HydrophobicContact CG-CD1 4.31Å; P74-Q294 WeakPolarHBondContact O-CA 3.24Å; P74-Q294 VanDerWaalsContact O-CB 3.3Å; P74-Q294 WeakPolarHBondContact O-CB 3.32Å; P74-Q294 PolarHBondContact O-N 3.01Å
75	I	98.2	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-120.5	157.2	175.6	60.1	169.3	0	0	0	110.9	I77 Q153 Y240 I296 V301	I75-I77 HydrophobicContact CD1-CG1 4.06Å; I75-I77 HydrophobicContact CG1-CG1 4.06Å; I75-Q153 PolarHBondContact O-N 2.91Å; I75-Y240 HydrophobicContact CD1-CD1 3.72Å; I75-Y240 HydrophobicContact CD1-CD2 3.8Å; I75-Y240 HydrophobicContact CD1-CE1 3.77Å; I75-Y240 HydrophobicContact CD1-CE2 3.85Å; I75-Y240 HydrophobicContact CD1-CG 3.76Å; I75-Y240 HydrophobicContact CG1-CD1 4.3Å; I75-Y240 HydrophobicContact CG1-CD2 4.45Å; I75-Y240 HydrophobicContact CG1-CE1 3.81Å; I75-Y240 HydrophobicContact CG1-CE2 3.99Å; I75-Y240 HydrophobicContact CG2-CE2 4.17Å; I75-I296 HydrophobicContact CB-CD1 4.27Å; I75-I296 HydrophobicContact CD1-CD1 3.44Å; I75-I296 VanDerWaalsContact CD1-CD1 3.44Å; I75-I296 HydrophobicContact CG1-CD1 4.44Å; I75-I296 HydrophobicContact CG2-CD1 4.08Å; I75-V301 HydrophobicContact CD1-CG2 3.52Å
76	N	98	Very high	94.5	Very high	59 Å²	59	60.5 Å²	60.5	32%	0.316	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.8	163.3	177.9	30.8	0	0	0	108.2	Q153 D155 G156 I293	N76-Q153 HydrophobicContact CB-CB 4.14Å; N76-Q153 WeakPolarHBondContact OD1-CB 3.42Å; N76-Q153 PolarHBondContact OD1-O 3.33Å; N76-D155 PolarHBondContact OD1-N 2.88Å; N76-G156 PolarHBondContact ND2-N 2.81Å; N76-G156 PolarHBondContact OD1-N 3.38Å; N76-I293 HydrophobicContact CB-CD1 4.39Å; N76-I293 HydrophobicContact CB-CG2 3.83Å; N76-I293 VanDerWaalsContact N-CG2 3.35Å
77	I	97.5	Very high	94.7	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.8	-178.9	-56.6	171.7	0	0	0	108.3	I75 L82 Q153 I154 D155 M238 I257 V301	I75-I77 HydrophobicContact CD1-CG1 4.06Å; I75-I77 HydrophobicContact CG1-CG1 4.06Å; I77-L82 HydrophobicContact CG2-CD2 3.72Å; I77-L82 HydrophobicContact CG2-CG 4.48Å; I77-Q153 PolarHBondContact N-O 3.01Å; I77-I154 HydrophobicContact CB-CD1 3.83Å; I77-I154 HydrophobicContact CD1-CD1 3.71Å; I77-I154 HydrophobicContact CG1-CD1 4.24Å; I77-I154 HydrophobicContact CG2-CD1 4.39Å; I77-D155 PolarHBondContact O-N 3.37Å; I77-M238 HydrophobicContact CD1-SD 4.23Å; I77-M238 HydrophobicContact CG2-SD 3.81Å; I77-I257 HydrophobicContact CD1-CD1 3.33Å; I77-V301 HydrophobicContact CG2-CB 4.5Å; I77-V301 HydrophobicContact CG2-CG1 4.05Å
78	S	95.2	Very high	95.2	Very high	29 Å²	29	59 Å²	59	20%	0.203	30%	0.302	C	S	.	.			trans	-95.5	115.9	176.2	-165.7	0	0	0	0	109.6	K80 H81 L82 D155	S78-K80 VanDerWaalsContact C-N 3.26Å; S78-K80 PolarHBondContact O-N 2.79Å; S78-K80 WeakPolarHBondContact OG-CE 3.36Å; S78-K80 VanDerWaalsContact OG-CG 3.26Å; S78-K80 WeakPolarHBondContact OG-CG 3.3Å; S78-H81 PolarHBondContact O-N 3.32Å; S78-H81 PolarHBondContact OG-ND1 3Å; S78-L82 PolarHBondContact O-N 2.73Å; S78-D155 VanDerWaalsContact CA-OD1 3.29Å; S78-D155 WeakPolarHBondContact CA-OD1 3.32Å
79	T	92.4	Very high	95.5	Very high	57 Å²	57	59.5 Å²	59.5	35%	0.35	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.1	-36.8	-176.1	54.2	0	0	0	0	112	H81 L82 I154 D155	T79-H81 PolarHBondContact O-N 2.97Å; T79-L82 WeakPolarHBondContact O-CG 3.48Å; T79-L82 PolarHBondContact O-N 3.25Å; T79-I154 HydrophobicContact CG2-CG2 3.74Å; T79-D155 WeakPolarHBondContact CB-OD2 3.46Å; T79-D155 WeakPolarHBondContact CG2-OD2 3.21Å; T79-D155 PolarHBondContact N-OD1 3.14Å; T79-D155 PolarHBondContact OG1-OD1 2.94Å; T79-D155 PolarHBondContact OG1-OD2 3.45Å
80	K	91.8	Very high	95.6	Very high	163 Å²	163	61.8 Å²	61.8	71%	0.709	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.7	175.1	65.7	177.4	-173.1	-177.9	0	115.5	S78	S78-K80 VanDerWaalsContact C-N 3.26Å; S78-K80 PolarHBondContact O-N 2.79Å; S78-K80 WeakPolarHBondContact OG-CE 3.36Å; S78-K80 VanDerWaalsContact OG-CG 3.26Å; S78-K80 WeakPolarHBondContact OG-CG 3.3Å
81	H	92.7	Very high	95.7	Very high	128 Å²	128	55.3 Å²	55.3	59%	0.593	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-115.1	11.6	-179.7	-57.4	145.5	0	0	0	112.3	S78 T79	S78-H81 PolarHBondContact O-N 3.32Å; S78-H81 PolarHBondContact OG-ND1 3Å; T79-H81 PolarHBondContact O-N 2.97Å
82	L	95.6	Very high	95.7	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.141	29%	0.292	C	S	.	.			trans	-66	134.5	174.5	-71.3	173.4	0	0	0	109.8	I77 S78 T79 M238 V301 T303 F307	I77-L82 HydrophobicContact CG2-CD2 3.72Å; I77-L82 HydrophobicContact CG2-CG 4.48Å; S78-L82 PolarHBondContact O-N 2.73Å; T79-L82 WeakPolarHBondContact O-CG 3.48Å; T79-L82 PolarHBondContact O-N 3.25Å; L82-M238 HydrophobicContact CD1-CG 4.26Å; L82-M238 HydrophobicContact CD1-SD 3.93Å; L82-M238 HydrophobicContact CD2-CG 4.03Å; L82-M238 HydrophobicContact CD2-SD 4.06Å; L82-V301 HydrophobicContact CD2-CB 3.84Å; L82-V301 HydrophobicContact CD2-CG1 3.52Å; L82-T303 HydrophobicContact CB-CG2 3.92Å; L82-T303 HydrophobicContact CD1-CG2 4.26Å; L82-T303 HydrophobicContact CG-CG2 4.47Å; L82-F307 HydrophobicContact CD1-CE2 3.55Å; L82-F307 HydrophobicContact CD1-CZ 3.79Å
83	V	95.8	Very high	95.7	Very high	66 Å²	66	57.2 Å²	57.2	40%	0.4	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.5	173	179.6	0	0	0	0	107.8	D85 V301 R302 T303	V83-D85 PolarHBondContact O-N 3.14Å; V83-V301 PolarHBondContact N-O 2.97Å; V83-R302 HydrophobicContact CB-CG 4.47Å; V83-R302 CarbonylContact O-C 3.51Å; V83-R302 VanDerWaalsContact O-CA 3.24Å; V83-R302 WeakPolarHBondContact O-CA 3.06Å; V83-T303 PolarHBondContact O-N 3.03Å
84	F	95.7	Very high	95.6	Very high	95 Å²	95	62.1 Å²	62.1	42%	0.417	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	126.7	171.4	-176.5	-114.5	0	0	0	109.8	T86 T303 I305 D306	F84-T86 HydrophobicContact CD1-CG2 4.08Å; F84-T86 HydrophobicContact CE1-CG2 3.41Å; F84-T86 VanDerWaalsContact CE1-CG2 3.41Å; F84-T86 HydrophobicContact CZ-CG2 4.06Å; F84-T303 WeakPolarHBondContact CA-O 3.35Å; F84-I305 WeakPolarHBondContact CD2-O 3.24Å; F84-D306 HydrophobicContact CE2-CB 3.79Å; F84-D306 HydrophobicContact CZ-CB 3.94Å
85	D	95.5	Very high	95.4	Very high	24 Å²	24	62.5 Å²	62.5	13%	0.128	32%	0.324	C	S	.	.			trans	-128.1	106.1	-178.9	-176.6	-6.2	0	0	0	109.1	V83 N87 L88 R302 T303	V83-D85 PolarHBondContact O-N 3.14Å; D85-N87 PolarHBondContact O-N 3.48Å; D85-N87 WeakPolarHBondContact OD1-CB 3.36Å; D85-N87 PolarHBondContact OD1-N 3.34Å; D85-N87 PolarHBondContact OD1-ND2 3.32Å; D85-N87 VanDerWaalsContact OD1-ND2 3.09Å; D85-L88 HydrophobicContact CB-CD1 3.89Å; D85-L88 HydrophobicContact CB-CG 3.89Å; D85-L88 WeakPolarHBondContact O-CB 3.43Å; D85-L88 PolarHBondContact O-N 2.93Å; D85-R302 HydrophobicContact CB-CB 4.32Å; D85-R302 WeakPolarHBondContact OD2-CD 3.3Å; D85-R302 IonicContact OD2-CZ 3.49Å; D85-R302 IonicContact OD2-NE 3.6Å; D85-R302 IonicContact OD2-NH1 3.5Å; D85-R302 PolarHBondContact OD2-NH1 3.06Å; D85-T303 PolarHBondContact N-O 2.71Å
86	T	91.8	Very high	95	Very high	110 Å²	110	63.6 Å²	63.6	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.8	-177.7	52.4	0	0	0	0	113.5	F84 L88	F84-T86 HydrophobicContact CD1-CG2 4.08Å; F84-T86 HydrophobicContact CE1-CG2 3.41Å; F84-T86 VanDerWaalsContact CE1-CG2 3.41Å; F84-T86 HydrophobicContact CZ-CG2 4.06Å; T86-L88 VanDerWaalsContact C-N 3.28Å
87	N	94.5	Very high	94.7	Very high	128 Å²	128	66.8 Å²	66.8	68%	0.684	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.7	178.9	-51.2	-66	0	0	0	112.4	D85 E89	D85-N87 PolarHBondContact O-N 3.48Å; D85-N87 WeakPolarHBondContact OD1-CB 3.36Å; D85-N87 PolarHBondContact OD1-N 3.34Å; D85-N87 PolarHBondContact OD1-ND2 3.32Å; D85-N87 VanDerWaalsContact OD1-ND2 3.09Å; N87-E89 PolarHBondContact O-N 2.97Å; N87-E89 VanDerWaalsContact O-N 3.14Å
88	L	96.4	Very high	94.4	Very high	10 Å²	10	71.2 Å²	71.2	5%	0.052	37%	0.366	C	S	.	.			trans	-80.3	91	176.1	-71.2	-177.8	0	0	0	110.4	D85 T86 P128 Y237 T239 R302 N304	D85-L88 HydrophobicContact CB-CD1 3.89Å; D85-L88 HydrophobicContact CB-CG 3.89Å; D85-L88 WeakPolarHBondContact O-CB 3.43Å; D85-L88 PolarHBondContact O-N 2.93Å; T86-L88 VanDerWaalsContact C-N 3.28Å; L88-P128 HydrophobicContact CD2-CB 3.89Å; L88-Y237 WeakPolarHBondContact CB-OH 3.31Å; L88-Y237 HydrophobicContact CD1-CE2 4.29Å; L88-Y237 HydrophobicContact CD2-CE2 4.48Å; L88-T239 HydrophobicContact CD1-CG2 3.8Å; L88-T239 HydrophobicContact CD2-CG2 4.25Å; L88-R302 HydrophobicContact CD1-CB 3.89Å; L88-N304 HydrophobicContact CB-CB 3.75Å; L88-N304 WeakPolarHBondContact O-CB 3.08Å; L88-N304 PolarHBondContact O-ND2 2.89Å
89	E	95.2	Very high	94.2	Very high	116 Å²	116	76.2 Å²	76.2	54%	0.542	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.1	162.2	171.6	-64.1	-170.6	155.6	0	0	112	N87 G127 Y237	N87-E89 PolarHBondContact O-N 2.97Å; N87-E89 VanDerWaalsContact O-N 3.14Å; E89-G127 WeakPolarHBondContact O-CA 3.38Å; E89-Y237 WeakPolarHBondContact O-CE1 3.46Å; E89-Y237 PolarHBondContact O-OH 3Å
90	P	96.3	Very high	94.1	Very high	63 Å²	63	73.6 Å²	73.6	41%	0.409	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-53.6	144.6	168.5	-28.7	38.6	0	0	0	112.3	V235	P90-V235 HydrophobicContact CG-CG1 4.3Å
91	I	96.9	Very high	94.2	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.8	175.6	-67.3	159.1	0	0	0	109.2	I93 T234 Y237 I256	I91-I93 HydrophobicContact CG2-CG1 4.14Å; I91-T234 PolarHBondContact N-O 3.43Å; I91-T234 PolarHBondContact O-OG1 3.46Å; I91-Y237 HydrophobicContact CD1-CD1 3.6Å; I91-Y237 HydrophobicContact CD1-CD2 4.07Å; I91-Y237 HydrophobicContact CD1-CE1 3.6Å; I91-Y237 HydrophobicContact CD1-CE2 4.08Å; I91-Y237 HydrophobicContact CD1-CG 3.86Å; I91-Y237 HydrophobicContact CG1-CD1 4.07Å; I91-Y237 HydrophobicContact CG1-CE1 3.62Å; I91-I256 HydrophobicContact CD1-CB 4.14Å; I91-I256 HydrophobicContact CD1-CD1 3.59Å; I91-I256 HydrophobicContact CD1-CG1 4.11Å; I91-I256 HydrophobicContact CD1-CG2 3.08Å; I91-I256 HydrophobicContact CG1-CD1 4.44Å
92	K	96.6	Very high	94.2	Very high	105 Å²	105	62.5 Å²	62.5	46%	0.457	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.1	172.3	-69.2	-170.1	-173.3	142	0	110.1	F124 S125 E126	K92-F124 WeakPolarHBondContact O-CA 3.44Å; K92-S125 PolarHBondContact N-O 3.23Å; K92-S125 VanDerWaalsContact N-O 3.08Å; K92-S125 PolarHBondContact O-N 3.14Å; K92-E126 VanDerWaalsContact CD-CD 3.43Å; K92-E126 HydrophobicContact CD-CG 4.49Å; K92-E126 WeakPolarHBondContact CD-OE1 3.28Å; K92-E126 WeakPolarHBondContact CD-OE2 3.38Å; K92-E126 WeakPolarHBondContact CE-OE1 3.27Å; K92-E126 WeakPolarHBondContact CE-OE2 3.5Å; K92-E126 WeakPolarHBondContact CG-OE2 3.49Å; K92-E126 IonicContact NZ-OE1 3.9Å; K92-E126 PolarHBondContact NZ-OE1 2.97Å; K92-E126 IonicContact NZ-OE2 2.76Å; K92-E126 PolarHBondContact NZ-OE2 2.8Å
93	I	96.9	Very high	94.1	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	102.5	172.5	-52.8	178.2	0	0	0	107.7	I91 L96 I122 V123 F124 L189 I231 T234	I91-I93 HydrophobicContact CG2-CG1 4.14Å; I93-L96 HydrophobicContact CB-CD1 3.87Å; I93-L96 HydrophobicContact CB-CD2 4.05Å; I93-L96 HydrophobicContact CB-CG 3.8Å; I93-L96 HydrophobicContact CD1-CD2 4.49Å; I93-L96 HydrophobicContact CG2-CD1 4.22Å; I93-L96 HydrophobicContact CG2-CD2 3.47Å; I93-L96 VanDerWaalsContact CG2-CD2 3.47Å; I93-L96 HydrophobicContact CG2-CG 3.6Å; I93-I122 HydrophobicContact CG2-CG2 3.69Å; I93-V123 CarbonylContact C-O 3.55Å; I93-V123 VanDerWaalsContact CA-O 3.3Å; I93-V123 WeakPolarHBondContact CA-O 3.16Å; I93-F124 HydrophobicContact CB-CD1 4.23Å; I93-F124 HydrophobicContact CB-CE1 4.49Å; I93-F124 HydrophobicContact CD1-CD1 4.18Å; I93-F124 HydrophobicContact CD1-CE1 4.01Å; I93-F124 HydrophobicContact CG1-CD1 3.82Å; I93-F124 HydrophobicContact CG1-CE1 4.12Å; I93-F124 HydrophobicContact CG2-CD1 3.67Å; I93-F124 HydrophobicContact CG2-CE1 3.64Å; I93-L189 HydrophobicContact CD1-CD2 3.76Å; I93-I231 HydrophobicContact CD1-CD1 4.07Å; I93-I231 HydrophobicContact CD1-CG2 4.17Å; I93-T234 HydrophobicContact CD1-CG2 3.75Å; I93-T234 HydrophobicContact CG1-CG2 4.39Å
94	L	95.9	Very high	94.1	Very high	102 Å²	102	59.5 Å²	59.5	53%	0.534	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.5	177.5	-61.7	177.9	0	0	0	109.8	I122 V123	L94-I122 VanDerWaalsContact O-CA 3.25Å; L94-I122 WeakPolarHBondContact O-CA 3.37Å; L94-V123 HydrophobicContact CB-CB 4.39Å; L94-V123 PolarHBondContact N-O 3.41Å; L94-V123 PolarHBondContact O-N 2.92Å; L94-V123 VanDerWaalsContact O-N 3.08Å
95	G	93.7	Very high	94.1	Very high	8 Å²	8	55.6 Å²	55.6	8%	0.082	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	14.2	176.8	0	0	0	0	0	115.8	D97 K98	G95-D97 WeakPolarHBondContact CA-OD1 3.28Å; G95-D97 PolarHBondContact O-N 3.21Å; G95-K98 WeakPolarHBondContact O-CB 3.35Å; G95-K98 PolarHBondContact O-N 3.28Å; G95-K98 VanDerWaalsContact O-N 3.14Å
96	L	91.4	Very high	94.2	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.126	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30	174.2	-73.7	-179	0	0	0	113.7	I93 K98 L227 D228 I231	I93-L96 HydrophobicContact CB-CD1 3.87Å; I93-L96 HydrophobicContact CB-CD2 4.05Å; I93-L96 HydrophobicContact CB-CG 3.8Å; I93-L96 HydrophobicContact CD1-CD2 4.49Å; I93-L96 HydrophobicContact CG2-CD1 4.22Å; I93-L96 HydrophobicContact CG2-CD2 3.47Å; I93-L96 VanDerWaalsContact CG2-CD2 3.47Å; I93-L96 HydrophobicContact CG2-CG 3.6Å; L96-K98 PolarHBondContact O-N 3.17Å; L96-L227 HydrophobicContact CD2-CB 3.64Å; L96-D228 HydrophobicContact CB-CB 4.06Å; L96-D228 PolarHBondContact O-N 2.93Å; L96-I231 HydrophobicContact CD2-CD1 3.71Å
97	D	90.8	Very high	94.3	Very high	125 Å²	125	50.5 Å²	50.5	67%	0.668	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.1	178.3	63.1	-42.5	0	0	0	113.1	G95 L226	G95-D97 WeakPolarHBondContact CA-OD1 3.28Å; G95-D97 PolarHBondContact O-N 3.21Å; D97-L226 VanDerWaalsContact O-CD2 3.28Å; D97-L226 WeakPolarHBondContact O-CD2 3.48Å
98	K	91.6	Very high	94.3	Very high	93 Å²	93	44.6 Å²	44.6	40%	0.404	23%	0.227	S	C	.	.	S	Bend	trans	-84.7	135.7	-180	-59.8	180	-176.2	173	0	110.5	G95 L96 T120	G95-K98 WeakPolarHBondContact O-CB 3.35Å; G95-K98 PolarHBondContact O-N 3.28Å; G95-K98 VanDerWaalsContact O-N 3.14Å; L96-K98 PolarHBondContact O-N 3.17Å; K98-T120 HydrophobicContact CB-CG2 3.65Å; K98-T120 HydrophobicContact CD-CG2 3.72Å; K98-T120 HydrophobicContact CG-CG2 4.35Å
99	Q	90.8	Very high	94.1	Very high	135 Å²	135	45.6 Å²	45.6	63%	0.631	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.9	171	-78	-176.2	29.5	0	0	110.2	L225 L226	Q99-L225 WeakPolarHBondContact CA-O 3.24Å; Q99-L226 HydrophobicContact CG-CD2 3.8Å; Q99-L226 HydrophobicContact CG-CG 4.24Å
100	I	91.4	Very high	94.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.8	176.6	58.1	169.5	0	0	0	111.9	V102 I115 T120 I122 G224 L225 L227	I100-V102 HydrophobicContact CD1-CG1 3.66Å; I100-V102 HydrophobicContact CG1-CG1 3.94Å; I100-I115 HydrophobicContact CD1-CG1 4.46Å; I100-T120 HydrophobicContact CG2-CG2 3.39Å; I100-I122 HydrophobicContact CD1-CD1 4.11Å; I100-I122 HydrophobicContact CG2-CD1 3.85Å; I100-G224 PolarHBondContact O-N 3.36Å; I100-L225 HydrophobicContact CG1-CB 4.17Å; I100-L225 WeakPolarHBondContact CG1-O 3.34Å; I100-L225 PolarHBondContact N-O 2.86Å; I100-L225 WeakPolarHBondContact O-CB 3.48Å; I100-L225 PolarHBondContact O-N 3.27Å; I100-L227 HydrophobicContact CD1-CD1 4.17Å; I100-L227 HydrophobicContact CD1-CD2 4Å; I100-L227 HydrophobicContact CD1-CG 3.9Å
101	D	92.5	Very high	94	Very high	58 Å²	58	37.3 Å²	37.3	31%	0.31	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.9	168.4	-74.5	1.9	0	0	0	109.2	L116 L222 H223 G224	D101-L116 HydrophobicContact CB-CB 4.2Å; D101-L116 HydrophobicContact CB-CD1 4.45Å; D101-L116 WeakPolarHBondContact O-CB 3.48Å; D101-L116 PolarHBondContact O-N 2.89Å; D101-L222 WeakPolarHBondContact CA-O 3.43Å; D101-H223 WeakPolarHBondContact OD1-CA 3.43Å; D101-H223 WeakPolarHBondContact OD1-CB 3.45Å; D101-H223 IonicContact OD1-CG 3.85Å; D101-H223 IonicContact OD1-ND1 3.42Å; D101-H223 PolarHBondContact OD1-ND1 2.97Å; D101-H223 IonicContact OD2-CE1 3.59Å; D101-H223 IonicContact OD2-CG 3.9Å; D101-H223 IonicContact OD2-ND1 2.8Å; D101-H223 PolarHBondContact OD2-ND1 2.9Å; D101-G224 PolarHBondContact OD1-N 3.42Å; D101-G224 VanDerWaalsContact OD1-N 3.08Å
102	V	92.7	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152	-178.1	-57.7	0	0	0	0	111.8	I100 M113 K114 K221 L222 L225	I100-V102 HydrophobicContact CD1-CG1 3.66Å; I100-V102 HydrophobicContact CG1-CG1 3.94Å; V102-M113 HydrophobicContact CB-CG 3.8Å; V102-M113 HydrophobicContact CB-SD 4.33Å; V102-M113 HydrophobicContact CG1-CG 4.03Å; V102-M113 HydrophobicContact CG1-SD 4.06Å; V102-M113 HydrophobicContact CG2-CG 4.1Å; V102-M113 HydrophobicContact CG2-SD 4.35Å; V102-K114 CarbonylContact C-O 3.56Å; V102-K114 WeakPolarHBondContact CA-O 3.48Å; V102-K114 WeakPolarHBondContact CB-O 3.43Å; V102-K221 CarbonylContact O-C 3.55Å; V102-K221 VanDerWaalsContact O-CA 3.31Å; V102-K221 WeakPolarHBondContact O-CA 3.45Å; V102-L222 HydrophobicContact CG2-CB 3.83Å; V102-L222 HydrophobicContact CG2-CD1 4.38Å; V102-L222 PolarHBondContact N-O 2.94Å; V102-L222 PolarHBondContact O-N 2.79Å; V102-L225 HydrophobicContact CG1-CD2 4.25Å; V102-L225 HydrophobicContact CG2-CD2 3.88Å
103	E	94.1	Very high	93.9	Very high	30 Å²	30	33.7 Å²	33.7	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	169.6	-176.4	179.8	89.8	0	0	109.1	V105 M113 K114 L116 F219 K221	E103-V105 HydrophobicContact CG-CG2 3.74Å; E103-V105 WeakPolarHBondContact OE1-CG2 3.46Å; E103-M113 WeakPolarHBondContact O-CA 3.14Å; E103-K114 PolarHBondContact N-O 3.35Å; E103-K114 PolarHBondContact O-N 3.03Å; E103-L116 HydrophobicContact CB-CD1 4.13Å; E103-L116 HydrophobicContact CB-CD2 3.82Å; E103-L116 HydrophobicContact CB-CG 4.05Å; E103-F219 HydrophobicContact CG-CB 3.9Å; E103-F219 HydrophobicContact CG-CD2 3.79Å; E103-F219 HydrophobicContact CG-CG 4.15Å; E103-F219 VanDerWaalsContact OE2-CD2 3.31Å; E103-F219 WeakPolarHBondContact OE2-CD2 3.26Å; E103-K221 HydrophobicContact CB-CG 4.35Å; E103-K221 HydrophobicContact CG-CG 4.29Å; E103-K221 VanDerWaalsContact OE2-CE 3.27Å; E103-K221 WeakPolarHBondContact OE2-CE 3.29Å
104	I	94.9	Very high	93.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.8	174.3	-72.5	165.7	0	0	0	108.4	L111 Q112 M113 I206 I209 F219 K220 L222	I104-L111 HydrophobicContact CG2-CD1 3.64Å; I104-L111 HydrophobicContact CG2-CD2 3.93Å; I104-L111 HydrophobicContact CG2-CG 3.69Å; I104-Q112 CarbonylContact C-O 3.57Å; I104-Q112 VanDerWaalsContact CA-O 3.31Å; I104-Q112 WeakPolarHBondContact CA-O 3.43Å; I104-M113 HydrophobicContact CD1-CE 4.01Å; I104-M113 HydrophobicContact CG1-CB 4.09Å; I104-M113 HydrophobicContact CG1-CE 4.37Å; I104-M113 HydrophobicContact CG1-CG 4.09Å; I104-I206 HydrophobicContact CD1-CG2 4.15Å; I104-I209 HydrophobicContact CB-CD1 4.38Å; I104-I209 HydrophobicContact CB-CG2 3.99Å; I104-I209 HydrophobicContact CD1-CD1 3.33Å; I104-I209 HydrophobicContact CG1-CD1 4.35Å; I104-I209 HydrophobicContact CG2-CG2 3.74Å; I104-F219 CarbonylContact O-C 3.56Å; I104-F219 WeakPolarHBondContact O-CA 3.24Å; I104-F219 WeakPolarHBondContact O-CB 3.46Å; I104-K220 PolarHBondContact N-O 2.86Å; I104-K220 PolarHBondContact O-N 3.04Å; I104-L222 HydrophobicContact CD1-CD1 4.4Å
105	V	96.2	Very high	93.6	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	-170.7	-172.3	0	0	0	0	110.1	E103 T107 Q112 K114 F219	E103-V105 HydrophobicContact CG-CG2 3.74Å; E103-V105 WeakPolarHBondContact OE1-CG2 3.46Å; V105-T107 HydrophobicContact CG1-CG2 4.48Å; V105-T107 PolarHBondContact O-N 2.95Å; V105-Q112 PolarHBondContact N-O 3.25Å; V105-Q112 PolarHBondContact O-N 2.84Å; V105-K114 HydrophobicContact CG2-CD 4.14Å; V105-F219 HydrophobicContact CB-CB 4.27Å; V105-F219 HydrophobicContact CG1-CB 4.31Å; V105-F219 HydrophobicContact CG2-CB 3.8Å
106	N	97	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.1	164.8	177.3	-20.1	0	0	0	109.2	G108 L111 V213 Q214 L215 G217 Q218 R276 M286	N106-G108 WeakPolarHBondContact OD1-CA 3.09Å; N106-G108 PolarHBondContact OD1-N 3.01Å; N106-L111 HydrophobicContact CB-CD1 4.39Å; N106-V213 HydrophobicContact CB-CB 4.28Å; N106-V213 WeakPolarHBondContact CB-O 3.05Å; N106-V213 PolarHBondContact ND2-O 2.9Å; N106-Q214 PolarHBondContact ND2-O 3.21Å; N106-L215 VanDerWaalsContact ND2-C 3.33Å; N106-L215 PolarHBondContact ND2-O 3.17Å; N106-G217 PolarHBondContact O-N 3.44Å; N106-Q218 PolarHBondContact N-O 2.9Å; N106-R276 PolarHBondContact ND2-O 3.05Å; N106-R276 PolarHBondContact OD1-O 3.38Å; N106-M286 HydrophobicContact CB-CE 4.44Å; N106-M286 VanDerWaalsContact CG-CE 3.48Å; N106-M286 WeakPolarHBondContact OD1-CE 3.07Å
107	T	94.7	Very high	92.9	Very high	27 Å²	27	37.6 Å²	37.6	17%	0.166	19%	0.188	C	C	.	.			trans	-85.7	-12.3	180	66.4	0	0	0	0	113.3	V105 Q109 D110 Q112 K216	V105-T107 HydrophobicContact CG1-CG2 4.48Å; V105-T107 PolarHBondContact O-N 2.95Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-OE1 3.23Å; T107-Q109 VanDerWaalsContact O-OE1 3.1Å; T107-Q109 PolarHBondContact OG1-N 3.26Å; T107-D110 PolarHBondContact N-O 3.41Å; T107-D110 PolarHBondContact OG1-N 3.45Å; T107-D110 PolarHBondContact OG1-O 3.2Å; T107-D110 PolarHBondContact OG1-OD1 3.08Å; T107-Q112 HydrophobicContact CG2-CB 4.2Å; T107-Q112 HydrophobicContact CG2-CG 3.71Å; T107-K216 WeakPolarHBondContact O-CD 3.38Å; T107-K216 WeakPolarHBondContact O-CE 3.49Å; T107-K216 WeakPolarHBondContact O-CG 3.16Å; T107-K216 PolarHBondContact O-NZ 2.7Å
108	G	93.8	Very high	92.1	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	19%	0.192	C	C	.	.	S	Bend	trans	91.9	-33.2	-169.3	0	0	0	0	0	113.1	N106 I277	N106-G108 WeakPolarHBondContact OD1-CA 3.09Å; N106-G108 PolarHBondContact OD1-N 3.01Å; G108-I277 WeakPolarHBondContact CA-O 3.35Å; G108-I277 WeakPolarHBondContact O-CA 3.16Å; G108-I277 WeakPolarHBondContact O-CB 3.48Å; G108-I277 WeakPolarHBondContact O-CG2 3.48Å
109	Q	92.7	Very high	91.6	Very high	31 Å²	31	37.6 Å²	37.6	15%	0.145	21%	0.205	C	C	.	.	S	Bend	trans	-88.5	-38.1	173.3	-74.3	83	1.1	0	0	111.8	D34 W37 T107 N289	D34-Q109 PolarHBondContact O-NE2 2.73Å; W37-Q109 HydrophobicContact CD2-CG 4.41Å; W37-Q109 HydrophobicContact CE3-CG 4.32Å; W37-Q109 HydrophobicContact CH2-CB 3.88Å; W37-Q109 HydrophobicContact CH2-CG 3.84Å; W37-Q109 HydrophobicContact CZ2-CB 4.3Å; W37-Q109 HydrophobicContact CZ2-CG 3.92Å; W37-Q109 HydrophobicContact CZ3-CB 4.26Å; W37-Q109 HydrophobicContact CZ3-CG 4.05Å; W37-Q109 PolarHBondContact O-NE2 3.33Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-OE1 3.23Å; T107-Q109 VanDerWaalsContact O-OE1 3.1Å; T107-Q109 PolarHBondContact OG1-N 3.26Å; Q109-N289 VanDerWaalsContact O-CB 3.23Å; Q109-N289 WeakPolarHBondContact O-CB 3.41Å
110	D	94.9	Very high	91.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	18%	0.183	C	C	.	.			trans	-157.6	176.6	-177.4	47.2	38.2	0	0	0	112.2	T107 Q112 I139 K141 M286 N289	T107-D110 PolarHBondContact N-O 3.41Å; T107-D110 PolarHBondContact OG1-N 3.45Å; T107-D110 PolarHBondContact OG1-O 3.2Å; T107-D110 PolarHBondContact OG1-OD1 3.08Å; D110-Q112 WeakPolarHBondContact OD1-CG 3.29Å; D110-Q112 PolarHBondContact OD1-NE2 2.82Å; D110-I139 HydrophobicContact CB-CG2 3.8Å; D110-K141 IonicContact OD2-NZ 3.99Å; D110-M286 VanDerWaalsContact C-SD 3.6Å; D110-M286 VanDerWaalsContact O-CE 3.31Å; D110-M286 WeakPolarHBondContact O-CE 3.43Å; D110-N289 WeakPolarHBondContact CB-ND2 3.5Å
111	L	95.7	Very high	91.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.2	173.9	-168.7	72.2	0	0	0	108.3	I104 N106 I140 V213 L272 L275	I104-L111 HydrophobicContact CG2-CD1 3.64Å; I104-L111 HydrophobicContact CG2-CD2 3.93Å; I104-L111 HydrophobicContact CG2-CG 3.69Å; N106-L111 HydrophobicContact CB-CD1 4.39Å; L111-I140 HydrophobicContact CB-CB 4.27Å; L111-I140 HydrophobicContact CD2-CB 4.47Å; L111-I140 HydrophobicContact CD2-CD1 3.83Å; L111-I140 HydrophobicContact CG-CD1 4.43Å; L111-I140 PolarHBondContact O-N 2.88Å; L111-V213 HydrophobicContact CD1-CG2 3.64Å; L111-L272 HydrophobicContact CD2-CD2 4Å; L111-L275 HydrophobicContact CB-CD1 4.41Å; L111-L275 HydrophobicContact CD1-CD1 4.18Å; L111-L275 HydrophobicContact CD2-CD1 4.27Å
112	Q	95.7	Very high	91.6	Very high	22 Å²	22	32.9 Å²	32.9	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.3	-174.7	-64.3	179.7	-0.2	0	0	110.8	I104 V105 T107 D110 A138 I139	I104-Q112 CarbonylContact C-O 3.57Å; I104-Q112 VanDerWaalsContact CA-O 3.31Å; I104-Q112 WeakPolarHBondContact CA-O 3.43Å; V105-Q112 PolarHBondContact N-O 3.25Å; V105-Q112 PolarHBondContact O-N 2.84Å; T107-Q112 HydrophobicContact CG2-CB 4.2Å; T107-Q112 HydrophobicContact CG2-CG 3.71Å; D110-Q112 WeakPolarHBondContact OD1-CG 3.29Å; D110-Q112 PolarHBondContact OD1-NE2 2.82Å; Q112-A138 CarbonylContact C-O 3.54Å; Q112-A138 WeakPolarHBondContact CA-O 3.14Å; Q112-I139 HydrophobicContact CG-CG1 4.38Å
113	M	94.1	Very high	91.8	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.8	168.9	-176	-171.5	-69.9	0	0	108.8	V102 E103 I104 G137 A138 I206 L225	V102-M113 HydrophobicContact CB-CG 3.8Å; V102-M113 HydrophobicContact CB-SD 4.33Å; V102-M113 HydrophobicContact CG1-CG 4.03Å; V102-M113 HydrophobicContact CG1-SD 4.06Å; V102-M113 HydrophobicContact CG2-CG 4.1Å; V102-M113 HydrophobicContact CG2-SD 4.35Å; E103-M113 WeakPolarHBondContact O-CA 3.14Å; I104-M113 HydrophobicContact CD1-CE 4.01Å; I104-M113 HydrophobicContact CG1-CB 4.09Å; I104-M113 HydrophobicContact CG1-CE 4.37Å; I104-M113 HydrophobicContact CG1-CG 4.09Å; M113-G137 CarbonylContact O-C 3.45Å; M113-G137 WeakPolarHBondContact O-CA 3.11Å; M113-A138 HydrophobicContact CB-CB 4.09Å; M113-A138 PolarHBondContact N-O 2.92Å; M113-A138 PolarHBondContact O-N 2.96Å; M113-A138 HydrophobicContact SD-CB 4.5Å; M113-I206 HydrophobicContact CE-CD1 4.15Å; M113-I206 HydrophobicContact CE-CG1 4.34Å; M113-I206 HydrophobicContact CE-CG2 4.42Å; M113-L225 HydrophobicContact CE-CD2 4.1Å; M113-L225 HydrophobicContact SD-CD2 4.22Å
114	K	93.7	Very high	92	Very high	75 Å²	75	32.1 Å²	32.1	33%	0.326	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.2	175.8	-60.2	176.7	-175.3	171.7	0	109.1	V102 E103 V105	V102-K114 CarbonylContact C-O 3.56Å; V102-K114 WeakPolarHBondContact CA-O 3.48Å; V102-K114 WeakPolarHBondContact CB-O 3.43Å; E103-K114 PolarHBondContact N-O 3.35Å; E103-K114 PolarHBondContact O-N 3.03Å; V105-K114 HydrophobicContact CG2-CD 4.14Å
115	I	92.4	Very high	92.1	Very high	42 Å²	42	32.6 Å²	32.6	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.2	173.1	-57.2	175.5	0	0	0	107.7	I100 D117 L135	I100-I115 HydrophobicContact CD1-CG1 4.46Å; I115-D117 WeakPolarHBondContact CG2-O 3.34Å; I115-L135 HydrophobicContact CD1-CB 4.29Å; I115-L135 HydrophobicContact CD1-CD2 3.53Å; I115-L135 HydrophobicContact CD1-CG 3.62Å
116	L	90.3	Very high	92.1	Very high	73 Å²	73	35 Å²	35	38%	0.382	20%	0.195	S	C	.	.			trans	-86.8	-32.6	-178.6	-65.7	177.9	0	0	0	112.1	D101 E103 K221	D101-L116 HydrophobicContact CB-CB 4.2Å; D101-L116 HydrophobicContact CB-CD1 4.45Å; D101-L116 WeakPolarHBondContact O-CB 3.48Å; D101-L116 PolarHBondContact O-N 2.89Å; E103-L116 HydrophobicContact CB-CD1 4.13Å; E103-L116 HydrophobicContact CB-CD2 3.82Å; E103-L116 HydrophobicContact CB-CG 4.05Å; L116-K221 HydrophobicContact CD1-CB 4.5Å; L116-K221 HydrophobicContact CD1-CD 3.83Å; L116-K221 HydrophobicContact CD1-CG 4.01Å
117	D	80.5	Confident	92.1	Very high	45 Å²	45	35.8 Å²	35.8	24%	0.241	20%	0.203	C	C	.	.			trans	-87.1	116.1	-179.1	178.9	23.4	0	0	0	111.6	I115 T119 T120	I115-D117 WeakPolarHBondContact CG2-O 3.34Å; D117-T119 VanDerWaalsContact C-N 3.33Å; D117-T119 WeakPolarHBondContact OD1-CB 3.27Å; D117-T119 PolarHBondContact OD1-N 2.94Å; D117-T119 PolarHBondContact OD1-OG1 3.46Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; D117-T120 WeakPolarHBondContact OD2-CB 3.2Å; D117-T120 PolarHBondContact OD2-N 3.24Å; D117-T120 PolarHBondContact OD2-OG1 2.77Å
118	S	74.8	Confident	92.2	Very high	109 Å²	109	35.1 Å²	35.1	76%	0.762	20%	0.199	S	C	*	.	S	Bend	trans	-80.3	-12	174.7	58.4	0	0	0	0	113.9
119	T	81.6	Confident	92.4	Very high	109 Å²	109	35.7 Å²	35.7	67%	0.669	20%	0.201	S	C	*	.	S	Bend	trans	-85.1	-34.4	-176.7	70.5	0	0	0	0	112.2	D117 I121	D117-T119 VanDerWaalsContact C-N 3.33Å; D117-T119 WeakPolarHBondContact OD1-CB 3.27Å; D117-T119 PolarHBondContact OD1-N 2.94Å; D117-T119 PolarHBondContact OD1-OG1 3.46Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; T119-I121 PolarHBondContact O-N 2.91Å
120	T	86	Confident	92.5	Very high	28 Å²	28	40.1 Å²	40.1	17%	0.172	23%	0.23	C	C	.	.			trans	-77	110.7	173.6	-60.5	0	0	0	0	111	K98 I100 D117	K98-T120 HydrophobicContact CB-CG2 3.65Å; K98-T120 HydrophobicContact CD-CG2 3.72Å; K98-T120 HydrophobicContact CG-CG2 4.35Å; I100-T120 HydrophobicContact CG2-CG2 3.39Å; D117-T120 WeakPolarHBondContact OD2-CB 3.2Å; D117-T120 PolarHBondContact OD2-N 3.24Å; D117-T120 PolarHBondContact OD2-OG1 2.77Å
121	I	92.3	Very high	92.7	Very high	62 Å²	62	43.8 Å²	43.8	32%	0.318	24%	0.244	S	C	.	.			trans	-99.2	121.4	177.6	-57.5	172.8	0	0	0	108.7	T119 V123 R134	T119-I121 PolarHBondContact O-N 2.91Å; I121-V123 HydrophobicContact CG2-CG2 3.49Å; I121-V123 VanDerWaalsContact CG2-CG2 3.49Å; I121-R134 HydrophobicContact CG2-CG 4.23Å
122	I	95.5	Very high	92.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.26	C	S	.	.			trans	-108.4	128.8	167.6	-66.2	149.2	0	0	0	108.4	I93 L94 I100 F124 R134 L135 L227	I93-I122 HydrophobicContact CG2-CG2 3.69Å; L94-I122 VanDerWaalsContact O-CA 3.25Å; L94-I122 WeakPolarHBondContact O-CA 3.37Å; I100-I122 HydrophobicContact CD1-CD1 4.11Å; I100-I122 HydrophobicContact CG2-CD1 3.85Å; I122-F124 HydrophobicContact CG2-CE1 4.14Å; I122-R134 WeakPolarHBondContact O-CA 3.31Å; I122-L135 HydrophobicContact CB-CB 3.91Å; I122-L135 HydrophobicContact CB-CD2 4.11Å; I122-L135 HydrophobicContact CD1-CD2 3.83Å; I122-L135 HydrophobicContact CG2-CB 3.95Å; I122-L135 HydrophobicContact CG2-CD2 3.98Å; I122-L135 PolarHBondContact O-N 2.86Å; I122-L227 HydrophobicContact CD1-CD1 3.59Å; I122-L227 HydrophobicContact CD1-CG 4.34Å; I122-L227 HydrophobicContact CG2-CD1 4.43Å
123	V	97.4	Very high	92.9	Very high	12 Å²	12	45.8 Å²	45.8	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.9	-172.7	-178.7	0	0	0	0	110.8	I93 L94 I121 D132 Y133 Y170	I93-V123 CarbonylContact C-O 3.55Å; I93-V123 VanDerWaalsContact CA-O 3.3Å; I93-V123 WeakPolarHBondContact CA-O 3.16Å; L94-V123 HydrophobicContact CB-CB 4.39Å; L94-V123 PolarHBondContact N-O 3.41Å; L94-V123 PolarHBondContact O-N 2.92Å; L94-V123 VanDerWaalsContact O-N 3.08Å; I121-V123 HydrophobicContact CG2-CG2 3.49Å; I121-V123 VanDerWaalsContact CG2-CG2 3.49Å; V123-D132 HydrophobicContact CG1-CB 3.74Å; V123-Y133 CarbonylContact C-O 3.53Å; V123-Y133 VanDerWaalsContact CA-O 3.3Å; V123-Y133 WeakPolarHBondContact CA-O 3.47Å; V123-Y170 HydrophobicContact CG1-CE1 4.32Å
124	F	98	Very high	93	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	169.2	-54.9	-14.1	0	0	0	108.6	K92 I93 I122 L129 D132 Y133 L135 L165 A167 L189	K92-F124 WeakPolarHBondContact O-CA 3.44Å; I93-F124 HydrophobicContact CB-CD1 4.23Å; I93-F124 HydrophobicContact CB-CE1 4.49Å; I93-F124 HydrophobicContact CD1-CD1 4.18Å; I93-F124 HydrophobicContact CD1-CE1 4.01Å; I93-F124 HydrophobicContact CG1-CD1 3.82Å; I93-F124 HydrophobicContact CG1-CE1 4.12Å; I93-F124 HydrophobicContact CG2-CD1 3.67Å; I93-F124 HydrophobicContact CG2-CE1 3.64Å; I122-F124 HydrophobicContact CG2-CE1 4.14Å; F124-L129 HydrophobicContact CB-CD1 3.75Å; F124-D132 WeakPolarHBondContact O-CA 3.44Å; F124-Y133 PolarHBondContact N-O 2.91Å; F124-Y133 PolarHBondContact O-N 2.86Å; F124-L135 HydrophobicContact CE1-CD1 4.48Å; F124-L135 HydrophobicContact CE2-CD1 4.43Å; F124-L135 HydrophobicContact CZ-CD1 3.8Å; F124-L165 HydrophobicContact CZ-CB 4.17Å; F124-A167 HydrophobicContact CD2-CB 3.47Å; F124-A167 VanDerWaalsContact CD2-CB 3.47Å; F124-A167 HydrophobicContact CE2-CB 3.59Å; F124-A167 HydrophobicContact CG-CB 4.23Å; F124-A167 HydrophobicContact CZ-CB 4.42Å; F124-L189 HydrophobicContact CE2-CB 4.07Å; F124-L189 HydrophobicContact CZ-CB 4.37Å
125	S	97.6	Very high	93.1	Very high	11 Å²	11	46.2 Å²	46.2	8%	0.077	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	169.2	178	62.9	0	0	0	0	110.8	K92 D132	K92-S125 PolarHBondContact N-O 3.23Å; K92-S125 VanDerWaalsContact N-O 3.08Å; K92-S125 PolarHBondContact O-N 3.14Å; S125-D132 WeakPolarHBondContact CB-OD1 2.95Å
126	E	96.2	Very high	93.3	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.9	-159	179.1	-56.6	-178.9	-171.8	0	0	113	K92 L129	K92-E126 VanDerWaalsContact CD-CD 3.43Å; K92-E126 HydrophobicContact CD-CG 4.49Å; K92-E126 WeakPolarHBondContact CD-OE1 3.28Å; K92-E126 WeakPolarHBondContact CD-OE2 3.38Å; K92-E126 WeakPolarHBondContact CE-OE1 3.27Å; K92-E126 WeakPolarHBondContact CE-OE2 3.5Å; K92-E126 WeakPolarHBondContact CG-OE2 3.49Å; K92-E126 IonicContact NZ-OE1 3.9Å; K92-E126 PolarHBondContact NZ-OE1 2.97Å; K92-E126 IonicContact NZ-OE2 2.76Å; K92-E126 PolarHBondContact NZ-OE2 2.8Å; E126-L129 VanDerWaalsContact O-CB 3.28Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 2.65Å
127	G	96.3	Very high	93.5	Very high	16 Å²	16	42.1 Å²	42.1	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-120.7	-172.4	0	0	0	0	0	112.8	E89 L129 Y237	E89-G127 WeakPolarHBondContact O-CA 3.38Å; G127-L129 VanDerWaalsContact C-N 3.29Å; G127-Y237 VanDerWaalsContact C-OH 3.31Å; G127-Y237 WeakPolarHBondContact CA-OH 3.1Å
128	P	97.1	Very high	94.2	Very high	13 Å²	13	40.2 Å²	40.2	8%	0.084	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.5	178.6	34.9	-29.7	0	0	0	113.6	L88 Y237 T239 T254 I256	L88-P128 HydrophobicContact CD2-CB 3.89Å; P128-Y237 HydrophobicContact CB-CE2 4.45Å; P128-Y237 WeakPolarHBondContact CD-OH 3.47Å; P128-Y237 HydrophobicContact CG-CE2 3.92Å; P128-T239 HydrophobicContact CB-CG2 3.85Å; P128-T239 WeakPolarHBondContact CB-OG1 3.31Å; P128-T239 HydrophobicContact CG-CG2 4.35Å; P128-T254 HydrophobicContact CB-CG2 4.34Å; P128-T254 HydrophobicContact CG-CG2 4.26Å; P128-I256 HydrophobicContact CG-CD1 3.89Å; P128-I256 HydrophobicContact CG-CG1 3.79Å
129	L	97.8	Very high	95.3	Very high	17 Å²	17	35 Å²	35	9%	0.089	19%	0.188	C	C	.	.			trans	-89.8	126.9	-170.2	-55.7	177.7	0	0	0	110.9	F124 E126 G127 Y131 Y133 A187 T254 I256	F124-L129 HydrophobicContact CB-CD1 3.75Å; E126-L129 VanDerWaalsContact O-CB 3.28Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 2.65Å; G127-L129 VanDerWaalsContact C-N 3.29Å; L129-Y131 WeakPolarHBondContact CB-O 3.36Å; L129-Y133 HydrophobicContact CB-CD2 4.36Å; L129-Y133 HydrophobicContact CB-CE2 4.24Å; L129-Y133 HydrophobicContact CD1-CD2 3.98Å; L129-Y133 HydrophobicContact CD2-CD2 4.1Å; L129-Y133 HydrophobicContact CD2-CE2 3.94Å; L129-Y133 HydrophobicContact CG-CD2 4.38Å; L129-Y133 HydrophobicContact CG-CE2 4.48Å; L129-A187 HydrophobicContact CD1-CB 4.21Å; L129-A187 HydrophobicContact CD2-CB 3.56Å; L129-T254 HydrophobicContact CD2-CG2 3.98Å; L129-I256 HydrophobicContact CD1-CD1 4.22Å; L129-I256 HydrophobicContact CD2-CD1 4.09Å; L129-I256 HydrophobicContact CG-CD1 4.19Å
130	V	95.1	Very high	96	Very high	123 Å²	123	30 Å²	30	75%	0.745	16%	0.157	S	C	*	.	S	Bend	trans	-82.7	-20.1	174.9	-179.3	0	0	0	0	111.7
131	Y	97.8	Very high	96.5	Very high	80 Å²	80	28.7 Å²	28.7	31%	0.314	15%	0.149	S	C	.	.	S	Bend	trans	-130.3	167.7	-179.2	-60.5	-85.2	0	0	0	109.9	L129 Y133 N169 L172 N184	L129-Y131 WeakPolarHBondContact CB-O 3.36Å; Y131-Y133 WeakPolarHBondContact O-CD2 3.42Å; Y131-Y133 WeakPolarHBondContact O-CE2 3.4Å; Y131-N169 WeakPolarHBondContact CB-ND2 3.16Å; Y131-N169 VanDerWaalsContact CD2-ND2 3.3Å; Y131-N169 WeakPolarHBondContact CD2-ND2 3.46Å; Y131-L172 HydrophobicContact CD1-CG 4.39Å; Y131-L172 HydrophobicContact CD2-CD1 4.45Å; Y131-L172 HydrophobicContact CE1-CD1 4.09Å; Y131-L172 HydrophobicContact CE1-CD2 4.09Å; Y131-L172 HydrophobicContact CE1-CG 4.17Å; Y131-L172 HydrophobicContact CE2-CD1 4.04Å; Y131-N184 HydrophobicContact CD2-CB 4.31Å; Y131-N184 HydrophobicContact CE2-CB 4.23Å
132	D	98.2	Very high	96.8	Very high	63 Å²	63	25.7 Å²	25.7	34%	0.337	13%	0.133	S	C	.	.			trans	-85.8	135.8	170.1	-69	-6.3	0	0	0	110.7	V123 F124 S125 Y170	V123-D132 HydrophobicContact CG1-CB 3.74Å; F124-D132 WeakPolarHBondContact O-CA 3.44Å; S125-D132 WeakPolarHBondContact CB-OD1 2.95Å; D132-Y170 HydrophobicContact CB-CE1 3.82Å; D132-Y170 WeakPolarHBondContact O-CD1 3.37Å
133	Y	98.4	Very high	96.9	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.9	-177.5	-68.8	-106.4	0	0	0	110.4	V123 F124 L129 Y131 F168 N169 N184 L186 A187	V123-Y133 CarbonylContact C-O 3.53Å; V123-Y133 VanDerWaalsContact CA-O 3.3Å; V123-Y133 WeakPolarHBondContact CA-O 3.47Å; F124-Y133 PolarHBondContact N-O 2.91Å; F124-Y133 PolarHBondContact O-N 2.86Å; L129-Y133 HydrophobicContact CB-CD2 4.36Å; L129-Y133 HydrophobicContact CB-CE2 4.24Å; L129-Y133 HydrophobicContact CD1-CD2 3.98Å; L129-Y133 HydrophobicContact CD2-CD2 4.1Å; L129-Y133 HydrophobicContact CD2-CE2 3.94Å; L129-Y133 HydrophobicContact CG-CD2 4.38Å; L129-Y133 HydrophobicContact CG-CE2 4.48Å; Y131-Y133 WeakPolarHBondContact O-CD2 3.42Å; Y131-Y133 WeakPolarHBondContact O-CE2 3.4Å; Y133-F168 CarbonylContact C-O 3.47Å; Y133-F168 VanDerWaalsContact CA-O 3.26Å; Y133-F168 WeakPolarHBondContact CA-O 3.29Å; Y133-N169 HydrophobicContact CD1-CB 3.98Å; Y133-N169 VanDerWaalsContact CD1-N 3.25Å; Y133-N169 HydrophobicContact CE1-CB 3.56Å; Y133-N184 VanDerWaalsContact CE1-O 3.3Å; Y133-N184 WeakPolarHBondContact CE1-O 3.11Å; Y133-N184 PolarHBondContact OH-O 3.16Å; Y133-L186 VanDerWaalsContact CE1-C 3.42Å; Y133-A187 HydrophobicContact CD1-CB 3.54Å; Y133-A187 HydrophobicContact CD2-CB 3.88Å; Y133-A187 HydrophobicContact CE1-CB 3.98Å; Y133-A187 HydrophobicContact CE2-CB 4.28Å; Y133-A187 HydrophobicContact CG-CB 3.52Å
134	R	96.5	Very high	96.9	Very high	80 Å²	80	27.1 Å²	27.1	30%	0.302	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.7	177.6	-175.9	-179.6	-62.3	-168.1	-1.3	109.7	I121 I122 F136 A167 F168 Y170	I121-R134 HydrophobicContact CG2-CG 4.23Å; I122-R134 WeakPolarHBondContact O-CA 3.31Å; R134-F136 PolarHBondContact O-N 2.93Å; R134-A167 CarbonylContact O-C 3.24Å; R134-A167 WeakPolarHBondContact O-CA 3.08Å; R134-A167 WeakPolarHBondContact O-CB 3.5Å; R134-F168 HydrophobicContact CB-CE1 4.09Å; R134-F168 HydrophobicContact CG-CE1 4.47Å; R134-F168 PolarHBondContact N-O 2.8Å; R134-F168 WeakPolarHBondContact O-CD1 3.45Å; R134-F168 PolarHBondContact O-N 2.92Å; R134-Y170 HydrophobicContact CB-CD1 3.64Å; R134-Y170 HydrophobicContact CB-CE1 4.35Å; R134-Y170 HydrophobicContact CB-CG 4.01Å
135	L	96.1	Very high	96.8	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.073	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	134	174.2	-176.9	67.4	0	0	0	110.4	I115 I122 F124 L165 L227	I115-L135 HydrophobicContact CD1-CB 4.29Å; I115-L135 HydrophobicContact CD1-CD2 3.53Å; I115-L135 HydrophobicContact CD1-CG 3.62Å; I122-L135 HydrophobicContact CB-CB 3.91Å; I122-L135 HydrophobicContact CB-CD2 4.11Å; I122-L135 HydrophobicContact CD1-CD2 3.83Å; I122-L135 HydrophobicContact CG2-CB 3.95Å; I122-L135 HydrophobicContact CG2-CD2 3.98Å; I122-L135 PolarHBondContact O-N 2.86Å; F124-L135 HydrophobicContact CE1-CD1 4.48Å; F124-L135 HydrophobicContact CE2-CD1 4.43Å; F124-L135 HydrophobicContact CZ-CD1 3.8Å; L135-L165 HydrophobicContact CD1-CB 3.87Å; L135-L165 HydrophobicContact CD1-CD2 4.2Å; L135-L227 HydrophobicContact CD2-CD1 3.43Å; L135-L227 VanDerWaalsContact CD2-CD1 3.43Å
136	F	95.1	Very high	96.8	Very high	27 Å²	27	34.5 Å²	34.5	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-42.5	179.8	163.1	-90.5	0	0	0	111.9	A22 W24 R134 Y166 F168 F176	A22-F136 HydrophobicContact CB-CD2 3.84Å; A22-F136 HydrophobicContact CB-CE2 3.23Å; A22-F136 HydrophobicContact CB-CZ 4.24Å; A22-F136 WeakPolarHBondContact O-CE2 3.49Å; A22-F136 VanDerWaalsContact O-CZ 3.29Å; A22-F136 WeakPolarHBondContact O-CZ 3.21Å; W24-F136 AromaticContact CD2-CE1 3.58Å; W24-F136 HydrophobicContact CD2-CE1 3.58Å; W24-F136 HydrophobicContact CD2-CZ 4.3Å; W24-F136 AromaticContact CE2-CE1 3.47Å; W24-F136 VanDerWaalsContact CE2-CE1 3.47Å; W24-F136 AromaticContact CE3-CE1 3.85Å; W24-F136 HydrophobicContact CE3-CE1 3.85Å; W24-F136 HydrophobicContact CG-CE1 4.1Å; W24-F136 HydrophobicContact CG-CZ 4.37Å; W24-F136 HydrophobicContact CH2-CD1 4.05Å; W24-F136 AromaticContact CH2-CE1 3.95Å; W24-F136 HydrophobicContact CH2-CE1 3.95Å; W24-F136 HydrophobicContact CZ2-CD1 4.09Å; W24-F136 AromaticContact CZ2-CE1 3.7Å; W24-F136 HydrophobicContact CZ2-CE1 3.7Å; W24-F136 HydrophobicContact CZ3-CD1 4.28Å; W24-F136 HydrophobicContact CZ3-CE1 4.02Å; W24-F136 AromaticContact NE1-CE1 3.88Å; R134-F136 PolarHBondContact O-N 2.93Å; F136-Y166 WeakPolarHBondContact CB-O 3.47Å; F136-Y166 PolarHBondContact N-O 3.48Å; F136-F168 HydrophobicContact CB-CD1 4.14Å; F136-F176 HydrophobicContact CB-CD2 3.51Å; F136-F176 HydrophobicContact CB-CE2 3.96Å; F136-F176 HydrophobicContact CB-CG 4.24Å; F136-F176 HydrophobicContact CD1-CD1 4.13Å; F136-F176 AromaticContact CD1-CD2 3.63Å; F136-F176 HydrophobicContact CD1-CD2 3.63Å; F136-F176 HydrophobicContact CD1-CE1 4.1Å; F136-F176 AromaticContact CD1-CE2 3.64Å; F136-F176 HydrophobicContact CD1-CE2 3.64Å; F136-F176 AromaticContact CD1-CG 3.91Å; F136-F176 HydrophobicContact CD1-CG 3.91Å; F136-F176 AromaticContact CD1-CZ 3.88Å; F136-F176 HydrophobicContact CD1-CZ 3.88Å; F136-F176 HydrophobicContact CD2-CB 3.3Å; F136-F176 HydrophobicContact CD2-CD1 4.07Å; F136-F176 AromaticContact CD2-CD2 3.6Å; F136-F176 HydrophobicContact CD2-CD2 3.6Å; F136-F176 HydrophobicContact CD2-CE2 4.44Å; F136-F176 AromaticContact CD2-CG 3.39Å; F136-F176 HydrophobicContact CD2-CG 3.39Å; F136-F176 AromaticContact CE1-CD1 3.82Å; F136-F176 HydrophobicContact CE1-CD1 3.82Å; F136-F176 HydrophobicContact CE1-CD2 4.18Å; F136-F176 AromaticContact CE1-CE1 3.78Å; F136-F176 HydrophobicContact CE1-CE1 3.78Å; F136-F176 HydrophobicContact CE1-CE2 4.19Å; F136-F176 HydrophobicContact CE1-CG 4.03Å; F136-F176 AromaticContact CE1-CZ 4Å; F136-F176 HydrophobicContact CE1-CZ 4Å; F136-F176 HydrophobicContact CE2-CB 3.39Å; F136-F176 AromaticContact CE2-CD1 3.66Å; F136-F176 HydrophobicContact CE2-CD1 3.66Å; F136-F176 HydrophobicContact CE2-CD2 4.08Å; F136-F176 HydrophobicContact CE2-CE1 4.45Å; F136-F176 AromaticContact CE2-CG 3.45Å; F136-F176 HydrophobicContact CE2-CG 3.45Å; F136-F176 VanDerWaalsContact CE2-CG 3.45Å; F136-F176 HydrophobicContact CG-CB 4Å; F136-F176 HydrophobicContact CG-CD1 4.26Å; F136-F176 AromaticContact CG-CD2 3.31Å; F136-F176 HydrophobicContact CG-CD2 3.31Å; F136-F176 AromaticContact CG-CE2 3.8Å; F136-F176 HydrophobicContact CG-CE2 3.8Å; F136-F176 AromaticContact CG-CG 3.61Å; F136-F176 HydrophobicContact CG-CG 3.61Å; F136-F176 HydrophobicContact CG-CZ 4.42Å; F136-F176 HydrophobicContact CZ-CB 4.23Å; F136-F176 AromaticContact CZ-CD1 3.59Å; F136-F176 HydrophobicContact CZ-CD1 3.59Å; F136-F176 HydrophobicContact CZ-CD2 4.4Å; F136-F176 AromaticContact CZ-CE1 3.99Å; F136-F176 HydrophobicContact CZ-CE1 3.99Å; F136-F176 AromaticContact CZ-CG 3.83Å; F136-F176 HydrophobicContact CZ-CG 3.83Å
137	G	95.3	Very high	96.8	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-174.9	-177.7	0	0	0	0	0	111.6	M113 Y166	M113-G137 CarbonylContact O-C 3.45Å; M113-G137 WeakPolarHBondContact O-CA 3.11Å; G137-Y166 PolarHBondContact N-O 3.46Å; G137-Y166 PolarHBondContact O-N 2.91Å
138	A	95.9	Very high	96.8	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.7	177.7	0	0	0	0	0	112.4	Q112 M113 L163 Q164 L165	Q112-A138 CarbonylContact C-O 3.54Å; Q112-A138 WeakPolarHBondContact CA-O 3.14Å; M113-A138 HydrophobicContact CB-CB 4.09Å; M113-A138 PolarHBondContact N-O 2.92Å; M113-A138 PolarHBondContact O-N 2.96Å; M113-A138 HydrophobicContact SD-CB 4.5Å; A138-L163 HydrophobicContact CB-CD1 3.97Å; A138-Q164 CarbonylContact C-O 3.51Å; A138-Q164 WeakPolarHBondContact CA-O 3.48Å; A138-Q164 WeakPolarHBondContact CB-O 3.31Å; A138-L165 HydrophobicContact CB-CG 4.18Å
139	I	96.7	Very high	96.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.3	172.2	-54.6	-175.8	0	0	0	108.6	W24 D110 Q112 K141 Q164 Y166 F246	W24-I139 HydrophobicContact CE3-CD1 3.91Å; W24-I139 HydrophobicContact CE3-CG1 4.33Å; W24-I139 HydrophobicContact CH2-CD1 4.01Å; W24-I139 HydrophobicContact CH2-CG1 3.52Å; W24-I139 HydrophobicContact CZ2-CG1 4.07Å; W24-I139 HydrophobicContact CZ3-CD1 3.59Å; W24-I139 HydrophobicContact CZ3-CG1 3.67Å; D110-I139 HydrophobicContact CB-CG2 3.8Å; Q112-I139 HydrophobicContact CG-CG1 4.38Å; I139-K141 HydrophobicContact CG2-CD 3.98Å; I139-Q164 PolarHBondContact N-O 2.78Å; I139-Q164 PolarHBondContact O-N 3.09Å; I139-Y166 HydrophobicContact CB-CE2 4.04Å; I139-Y166 HydrophobicContact CD1-CD2 4.38Å; I139-Y166 HydrophobicContact CD1-CE2 3.72Å; I139-Y166 HydrophobicContact CG1-CD2 4.1Å; I139-Y166 HydrophobicContact CG1-CE2 3.7Å; I139-F246 HydrophobicContact CD1-CD1 4.2Å; I139-F246 HydrophobicContact CD1-CE1 3.56Å; I139-F246 HydrophobicContact CD1-CZ 4.18Å
140	I	96.3	Very high	96.8	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.6	174.9	-62.7	162.8	0	0	0	108.9	L111 F142 L163 I206 F207 N289	L111-I140 HydrophobicContact CB-CB 4.27Å; L111-I140 HydrophobicContact CD2-CB 4.47Å; L111-I140 HydrophobicContact CD2-CD1 3.83Å; L111-I140 HydrophobicContact CG-CD1 4.43Å; L111-I140 PolarHBondContact O-N 2.88Å; I140-F142 HydrophobicContact CG2-CD1 4.32Å; I140-L163 HydrophobicContact CG1-CD1 3.67Å; I140-I206 HydrophobicContact CD1-CG2 4.14Å; I140-F207 HydrophobicContact CG2-CE1 4.1Å; I140-N289 PolarHBondContact O-ND2 3Å
141	K	97.7	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.7	175.4	-54.2	-60.2	-170.1	-175.1	0	109.7	Y39 D110 I139 G149 D151 A161 E162 N289	Y39-K141 PolarHBondContact OH-NZ 3.38Å; D110-K141 IonicContact OD2-NZ 3.99Å; I139-K141 HydrophobicContact CG2-CD 3.98Å; K141-G149 CarbonylContact C-O 3.45Å; K141-D151 WeakPolarHBondContact CE-OD2 3.38Å; K141-A161 CarbonylContact O-C 3.45Å; K141-A161 WeakPolarHBondContact O-CA 3.37Å; K141-A161 WeakPolarHBondContact O-CB 3.47Å; K141-E162 HydrophobicContact CB-CB 4.2Å; K141-E162 WeakPolarHBondContact CB-O 3.34Å; K141-E162 PolarHBondContact N-O 2.92Å; K141-E162 PolarHBondContact O-N 2.72Å; K141-N289 WeakPolarHBondContact CA-OD1 3.41Å; K141-N289 WeakPolarHBondContact CD-O 3.49Å; K141-N289 PolarHBondContact NZ-O 2.82Å; K141-N289 VanDerWaalsContact NZ-O 3.16Å
142	F	97.9	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	150.8	-178.7	61.3	-85.2	0	0	0	112.4	I140 G149 P160 A161 L272 L275 M286 A287 D288 N289	I140-F142 HydrophobicContact CG2-CD1 4.32Å; F142-G149 PolarHBondContact N-O 2.89Å; F142-P160 WeakPolarHBondContact CA-O 3.37Å; F142-A161 HydrophobicContact CB-CB 3.96Å; F142-L272 HydrophobicContact CB-CD1 4.24Å; F142-L272 HydrophobicContact CD1-CB 4.36Å; F142-L272 HydrophobicContact CD1-CD2 4.3Å; F142-L272 HydrophobicContact CD2-CB 3.82Å; F142-L272 HydrophobicContact CE1-CD2 4.35Å; F142-L272 VanDerWaalsContact CE2-C 3.48Å; F142-L272 HydrophobicContact CE2-CB 3.99Å; F142-L272 WeakPolarHBondContact CE2-O 3.3Å; F142-L272 HydrophobicContact CG-CB 4.01Å; F142-L272 HydrophobicContact CG-CD1 4.31Å; F142-L272 HydrophobicContact CZ-CB 4.35Å; F142-L272 WeakPolarHBondContact CZ-O 3.22Å; F142-L275 HydrophobicContact CE1-CD1 4.01Å; F142-L275 HydrophobicContact CZ-CB 4.28Å; F142-L275 HydrophobicContact CZ-CD1 3.76Å; F142-L275 HydrophobicContact CZ-CG 4.44Å; F142-M286 HydrophobicContact CE1-CG 4.26Å; F142-M286 HydrophobicContact CE1-SD 3.78Å; F142-M286 HydrophobicContact CZ-CB 4.09Å; F142-M286 HydrophobicContact CZ-CG 3.76Å; F142-M286 HydrophobicContact CZ-SD 3.65Å; F142-A287 HydrophobicContact CD2-CB 4.13Å; F142-A287 VanDerWaalsContact CE2-CA 3.41Å; F142-A287 HydrophobicContact CE2-CB 3.8Å; F142-D288 WeakPolarHBondContact O-CA 3.35Å; F142-D288 PolarHBondContact O-N 2.7Å; F142-N289 PolarHBondContact N-OD1 2.95Å; F142-N289 PolarHBondContact O-OD1 3.23Å; F142-N289 VanDerWaalsContact O-OD1 3.09Å
143	G	97.4	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.			trans	-102.6	163.2	-178.6	0	0	0	0	0	113.9	K145 R148 G149 P160 R273 D288	G143-K145 PolarHBondContact O-N 2.86Å; G143-R148 VanDerWaalsContact CA-O 3.28Å; G143-R148 WeakPolarHBondContact CA-O 3.39Å; G143-G149 VanDerWaalsContact CA-CA 3.47Å; G143-P160 PolarHBondContact N-O 2.6Å; G143-R273 WeakPolarHBondContact O-CG 3.36Å; G143-R273 PolarHBondContact O-NE 3.3Å; G143-D288 WeakPolarHBondContact CA-OD1 3.46Å
144	S	96.9	Very high	96.9	Very high	46 Å²	46	29.3 Å²	29.3	32%	0.322	15%	0.148	S	C	.	.	S	Bend	trans	-68.8	-16	174.7	56.5	0	0	0	0	113.7	R273 D288	S144-R273 WeakPolarHBondContact O-CD 3.45Å; S144-R273 PolarHBondContact O-NE 3.32Å; S144-D288 VanDerWaalsContact CB-OD2 3.24Å; S144-D288 WeakPolarHBondContact CB-OD2 3.46Å; S144-D288 PolarHBondContact N-OD1 2.86Å; S144-D288 VanDerWaalsContact OG-CG 3.24Å; S144-D288 PolarHBondContact OG-OD1 2.86Å; S144-D288 PolarHBondContact OG-OD2 2.82Å
145	K	96.7	Very high	96.9	Very high	129 Å²	129	29.1 Å²	29.1	56%	0.561	15%	0.153	S	C	*	.	S	Bend	trans	-142.5	157.9	178.8	-61.4	-177.5	-178	-179.6	0	110	G143 S147 R148	G143-K145 PolarHBondContact O-N 2.86Å; K145-S147 PolarHBondContact O-N 2.94Å; K145-S147 VanDerWaalsContact O-N 3.12Å; K145-R148 PolarHBondContact O-N 3.23Å
146	S	96.9	Very high	97	Very high	38 Å²	38	30.4 Å²	30.4	27%	0.266	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-2.8	-172.5	-53.4	0	0	0	0	115.1	E266 R273	S146-E266 VanDerWaalsContact OG-CD 3.24Å; S146-E266 PolarHBondContact OG-OE1 3.48Å; S146-E266 VanDerWaalsContact OG-OE1 3.09Å; S146-E266 PolarHBondContact OG-OE2 3.07Å; S146-R273 PolarHBondContact OG-NH2 2.69Å
147	S	96.4	Very high	97.1	Very high	86 Å²	86	33.2 Å²	33.2	60%	0.601	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	5.3	175.7	57.3	0	0	0	0	114.1	K145	K145-S147 PolarHBondContact O-N 2.94Å; K145-S147 VanDerWaalsContact O-N 3.12Å
148	R	96.5	Very high	97.2	Very high	108 Å²	108	34 Å²	34	41%	0.408	19%	0.19	S	C	.	.			trans	-154.3	158.8	179.2	64.1	-177.1	65	-175.1	-2.7	110.4	G143 K145 S158 F159 P160 Y290	G143-R148 VanDerWaalsContact CA-O 3.28Å; G143-R148 WeakPolarHBondContact CA-O 3.39Å; K145-R148 PolarHBondContact O-N 3.23Å; R148-S158 WeakPolarHBondContact CA-OG 3.46Å; R148-F159 CarbonylContact C-O 3.53Å; R148-P160 WeakPolarHBondContact O-CA 3.25Å; R148-Y290 WeakPolarHBondContact CD-OH 3.48Å
149	G	96.9	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.			trans	146.2	-24.2	173.5	0	0	0	0	0	115.8	K141 F142 G143 S158 F159 P160 Y290	K141-G149 CarbonylContact C-O 3.45Å; F142-G149 PolarHBondContact N-O 2.89Å; G143-G149 VanDerWaalsContact CA-CA 3.47Å; G149-S158 PolarHBondContact N-OG 2.64Å; G149-F159 CarbonylContact C-O 3.55Å; G149-F159 WeakPolarHBondContact CA-O 3.46Å; G149-F159 PolarHBondContact N-O 3.03Å; G149-P160 WeakPolarHBondContact CA-O 3.37Å; G149-Y290 WeakPolarHBondContact O-CD1 3.45Å
150	S	98.3	Very high	97.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.195	C	C	.	.			trans	-74.9	146.5	170.3	61	0	0	0	0	111.3	H152 S158 F159 E162	S150-H152 WeakPolarHBondContact CB-O 3.38Å; S150-H152 PolarHBondContact OG-O 2.62Å; S150-S158 PolarHBondContact OG-OG 3.49Å; S150-F159 PolarHBondContact N-O 2.9Å; S150-F159 PolarHBondContact OG-N 2.8Å; S150-E162 WeakPolarHBondContact CB-OE2 3.35Å
151	D	98	Very high	97.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-67	-51.5	168.2	-100.7	-45.3	0	0	0	108.7	P74 K141 E162 Q164 R291 I293	P74-D151 HydrophobicContact CB-CB 3.82Å; P74-D151 WeakPolarHBondContact CB-O 3.42Å; P74-D151 VanDerWaalsContact CG-C 3.49Å; P74-D151 HydrophobicContact CG-CB 3.81Å; P74-D151 WeakPolarHBondContact CG-O 3.4Å; K141-D151 WeakPolarHBondContact CE-OD2 3.38Å; D151-E162 PolarHBondContact N-OE2 3.12Å; D151-Q164 PolarHBondContact OD2-NE2 3.12Å; D151-R291 WeakPolarHBondContact OD1-CB 3.35Å; D151-R291 PolarHBondContact OD1-N 2.88Å; D151-I293 VanDerWaalsContact O-CD1 3.25Å; D151-I293 WeakPolarHBondContact O-CD1 3.49Å
152	H	98.6	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-80.7	154.4	179.6	-63.7	90.1	0	0	0	112.2	S150 E162 F192 Y240 W255 I257	S150-H152 WeakPolarHBondContact CB-O 3.38Å; S150-H152 PolarHBondContact OG-O 2.62Å; H152-E162 IonicContact CE1-OE1 2.78Å; H152-E162 IonicContact CG-OE1 3.67Å; H152-E162 PolarHBondContact N-OE2 2.78Å; H152-E162 IonicContact ND1-OE1 2.65Å; H152-E162 PolarHBondContact ND1-OE1 2.84Å; H152-E162 IonicContact ND1-OE2 3.96Å; H152-E162 PolarHBondContact ND1-OE2 3.23Å; H152-F192 HydrophobicContact CB-CE1 3.72Å; H152-F192 HydrophobicContact CB-CZ 3.58Å; H152-Y240 AromaticContact NE2-CE1 3.62Å; H152-Y240 AromaticContact NE2-CZ 3.58Å; H152-Y240 PolarHBondContact NE2-OH 2.97Å; H152-W255 AromaticContact CE1-CD2 3.69Å; H152-W255 AromaticContact CE1-CE2 3.93Å; H152-W255 AromaticContact CE1-CE3 3.49Å; H152-W255 VanDerWaalsContact CE1-CE3 3.49Å; H152-W255 AromaticContact CE1-CH2 3.78Å; H152-W255 AromaticContact CE1-CZ2 3.97Å; H152-W255 AromaticContact CE1-CZ3 3.54Å; H152-W255 AromaticContact NE2-CD2 3.87Å; H152-I257 HydrophobicContact CB-CD1 4.3Å
153	Q	98.4	Very high	97.3	Very high	49 Å²	49	35.7 Å²	35.7	23%	0.229	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.5	172.2	-71.6	174.7	5.6	0	0	110.1	I75 N76 I77 I157 I293	I75-Q153 PolarHBondContact O-N 2.91Å; N76-Q153 HydrophobicContact CB-CB 4.14Å; N76-Q153 WeakPolarHBondContact OD1-CB 3.42Å; N76-Q153 PolarHBondContact OD1-O 3.33Å; I77-Q153 PolarHBondContact N-O 3.01Å; Q153-I157 VanDerWaalsContact CA-O 3.25Å; Q153-I157 WeakPolarHBondContact CA-O 3.26Å; Q153-I157 WeakPolarHBondContact CB-O 3.4Å; Q153-I293 HydrophobicContact CB-CD1 4.02Å; Q153-I293 HydrophobicContact CG-CD1 3.78Å; Q153-I293 HydrophobicContact CG-CG1 4.16Å
154	I	97.6	Very high	97.4	Very high	24 Å²	24	35.7 Å²	35.7	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.8	170.3	-54.4	-58.8	0	0	0	107.5	I77 T79 G156 I157 F159 F192 M238	I77-I154 HydrophobicContact CB-CD1 3.83Å; I77-I154 HydrophobicContact CD1-CD1 3.71Å; I77-I154 HydrophobicContact CG1-CD1 4.24Å; I77-I154 HydrophobicContact CG2-CD1 4.39Å; T79-I154 HydrophobicContact CG2-CG2 3.74Å; I154-G156 PolarHBondContact O-N 3.04Å; I154-G156 VanDerWaalsContact O-N 3.12Å; I154-I157 PolarHBondContact N-O 3.38Å; I154-I157 WeakPolarHBondContact O-CB 3.32Å; I154-I157 PolarHBondContact O-N 3.48Å; I154-F159 HydrophobicContact CG1-CE2 4.1Å; I154-F192 HydrophobicContact CD1-CE2 3.91Å; I154-F192 HydrophobicContact CD1-CZ 4.14Å; I154-F192 HydrophobicContact CG1-CE2 3.83Å; I154-F192 HydrophobicContact CG1-CZ 4.1Å; I154-M238 HydrophobicContact CD1-CE 3.8Å; I154-M238 HydrophobicContact CD1-SD 4.27Å
155	D	96.6	Very high	97.4	Very high	76 Å²	76	33.7 Å²	33.7	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	37.2	-177.5	-63.3	-43.8	0	0	0	114.1	N76 I77 S78 T79 I157	N76-D155 PolarHBondContact OD1-N 2.88Å; I77-D155 PolarHBondContact O-N 3.37Å; S78-D155 VanDerWaalsContact CA-OD1 3.29Å; S78-D155 WeakPolarHBondContact CA-OD1 3.32Å; T79-D155 WeakPolarHBondContact CB-OD2 3.46Å; T79-D155 WeakPolarHBondContact CG2-OD2 3.21Å; T79-D155 PolarHBondContact N-OD1 3.14Å; T79-D155 PolarHBondContact OG1-OD1 2.94Å; T79-D155 PolarHBondContact OG1-OD2 3.45Å; D155-I157 VanDerWaalsContact C-N 3.28Å; D155-I157 PolarHBondContact O-N 2.88Å
156	G	96.5	Very high	97.5	Very high	41 Å²	41	27.6 Å²	27.6	42%	0.423	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	1.3	-179.7	0	0	0	0	0	114.5	N76 I154	N76-G156 PolarHBondContact ND2-N 2.81Å; N76-G156 PolarHBondContact OD1-N 3.38Å; I154-G156 PolarHBondContact O-N 3.04Å; I154-G156 VanDerWaalsContact O-N 3.12Å
157	I	96.8	Very high	97.5	Very high	87 Å²	87	25.8 Å²	25.8	45%	0.446	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.3	178.3	-54.5	177.9	0	0	0	109.3	Q153 I154 D155	Q153-I157 VanDerWaalsContact CA-O 3.25Å; Q153-I157 WeakPolarHBondContact CA-O 3.26Å; Q153-I157 WeakPolarHBondContact CB-O 3.4Å; I154-I157 PolarHBondContact N-O 3.38Å; I154-I157 WeakPolarHBondContact O-CB 3.32Å; I154-I157 PolarHBondContact O-N 3.48Å; D155-I157 VanDerWaalsContact C-N 3.28Å; D155-I157 PolarHBondContact O-N 2.88Å
158	S	97.6	Very high	97.6	Very high	19 Å²	19	22.7 Å²	22.7	13%	0.133	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	149.5	172.9	-178.3	0	0	0	0	110.7	R148 G149 S150	R148-S158 WeakPolarHBondContact CA-OG 3.46Å; G149-S158 PolarHBondContact N-OG 2.64Å; S150-S158 PolarHBondContact OG-OG 3.49Å
159	F	98	Very high	97.6	Very high	24 Å²	24	17.5 Å²	17.5	11%	0.105	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-94.7	154.7	173.9	-70.6	-97.9	0	0	0	110.3	R148 G149 S150 I154 A161 F192	R148-F159 CarbonylContact C-O 3.53Å; G149-F159 CarbonylContact C-O 3.55Å; G149-F159 WeakPolarHBondContact CA-O 3.46Å; G149-F159 PolarHBondContact N-O 3.03Å; S150-F159 PolarHBondContact N-O 2.9Å; S150-F159 PolarHBondContact OG-N 2.8Å; I154-F159 HydrophobicContact CG1-CE2 4.1Å; F159-A161 PolarHBondContact O-N 3.19Å; F159-F192 HydrophobicContact CB-CB 4.28Å; F159-F192 HydrophobicContact CB-CD1 3.93Å; F159-F192 HydrophobicContact CB-CG 4.42Å; F159-F192 HydrophobicContact CD1-CB 3.79Å; F159-F192 HydrophobicContact CD1-CG 4.25Å; F159-F192 HydrophobicContact CD2-CB 4.02Å; F159-F192 AromaticContact CD2-CD1 3.34Å; F159-F192 HydrophobicContact CD2-CD1 3.34Å; F159-F192 HydrophobicContact CD2-CD2 4.1Å; F159-F192 AromaticContact CD2-CE1 3.7Å; F159-F192 HydrophobicContact CD2-CE1 3.7Å; F159-F192 HydrophobicContact CD2-CE2 4.39Å; F159-F192 AromaticContact CD2-CG 3.55Å; F159-F192 HydrophobicContact CD2-CG 3.55Å; F159-F192 HydrophobicContact CD2-CZ 4.21Å; F159-F192 HydrophobicContact CE1-CB 4.06Å; F159-F192 HydrophobicContact CE1-CG 4.42Å; F159-F192 HydrophobicContact CE2-CB 4.29Å; F159-F192 AromaticContact CE2-CD1 3.95Å; F159-F192 HydrophobicContact CE2-CD1 3.95Å; F159-F192 AromaticContact CE2-CD2 3.85Å; F159-F192 HydrophobicContact CE2-CD2 3.85Å; F159-F192 HydrophobicContact CE2-CE1 4.19Å; F159-F192 HydrophobicContact CE2-CE2 4.08Å; F159-F192 AromaticContact CE2-CG 3.77Å; F159-F192 HydrophobicContact CE2-CG 3.77Å; F159-F192 HydrophobicContact CE2-CZ 4.24Å; F159-F192 HydrophobicContact CG-CB 3.76Å; F159-F192 AromaticContact CG-CD1 3.7Å; F159-F192 HydrophobicContact CG-CD1 3.7Å; F159-F192 HydrophobicContact CG-CE1 4.46Å; F159-F192 AromaticContact CG-CG 3.82Å; F159-F192 HydrophobicContact CG-CG 3.82Å; F159-F192 HydrophobicContact CZ-CB 4.31Å; F159-F192 HydrophobicContact CZ-CD2 4.21Å; F159-F192 HydrophobicContact CZ-CG 4.2Å
160	P	97.9	Very high	97.6	Very high	7 Å²	7	20.9 Å²	20.9	5%	0.045	11%	0.114	C	C	.	.	S	Bend	trans	-60	-26.5	179.4	25.8	-39.6	0	0	0	114.4	F142 G143 R148 G149 C193 V195 L269	F142-P160 WeakPolarHBondContact CA-O 3.37Å; G143-P160 PolarHBondContact N-O 2.6Å; R148-P160 WeakPolarHBondContact O-CA 3.25Å; G149-P160 WeakPolarHBondContact CA-O 3.37Å; P160-C193 WeakPolarHBondContact CD-O 3.25Å; P160-C193 WeakPolarHBondContact CG-O 3.41Å; P160-V195 HydrophobicContact CB-CG2 4.09Å; P160-V195 HydrophobicContact CG-CG2 3.77Å; P160-L269 HydrophobicContact CB-CD1 3.67Å; P160-L269 HydrophobicContact CB-CD2 4.09Å; P160-L269 HydrophobicContact CG-CD1 4.26Å
161	A	97.6	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	163	179.7	0	0	0	0	0	111.1	K141 F142 F159 C193 L269	K141-A161 CarbonylContact O-C 3.45Å; K141-A161 WeakPolarHBondContact O-CA 3.37Å; K141-A161 WeakPolarHBondContact O-CB 3.47Å; F142-A161 HydrophobicContact CB-CB 3.96Å; F159-A161 PolarHBondContact O-N 3.19Å; A161-C193 HydrophobicContact CB-CB 3.74Å; A161-C193 WeakPolarHBondContact O-CB 3.29Å; A161-C193 PolarHBondContact O-N 3.12Å; A161-L269 HydrophobicContact CB-CD2 4.15Å
162	E	98	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.6	176.5	-175.7	-177.5	144.7	0	0	109.3	K141 S150 D151 H152 Q164 S190 I191 F192	K141-E162 HydrophobicContact CB-CB 4.2Å; K141-E162 WeakPolarHBondContact CB-O 3.34Å; K141-E162 PolarHBondContact N-O 2.92Å; K141-E162 PolarHBondContact O-N 2.72Å; S150-E162 WeakPolarHBondContact CB-OE2 3.35Å; D151-E162 PolarHBondContact N-OE2 3.12Å; H152-E162 IonicContact CE1-OE1 2.78Å; H152-E162 IonicContact CG-OE1 3.67Å; H152-E162 PolarHBondContact N-OE2 2.78Å; H152-E162 IonicContact ND1-OE1 2.65Å; H152-E162 PolarHBondContact ND1-OE1 2.84Å; H152-E162 IonicContact ND1-OE2 3.96Å; H152-E162 PolarHBondContact ND1-OE2 3.23Å; E162-Q164 HydrophobicContact CG-CG 4.09Å; E162-Q164 WeakPolarHBondContact OE1-CG 3.08Å; E162-Q164 PolarHBondContact OE1-NE2 3.42Å; E162-S190 WeakPolarHBondContact CG-OG 3.43Å; E162-S190 PolarHBondContact OE1-OG 2.97Å; E162-I191 WeakPolarHBondContact CA-O 3.47Å; E162-F192 HydrophobicContact CG-CD1 4.4Å
163	L	96.8	Very high	97.4	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.068	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.5	172.3	174.6	66.3	0	0	0	108.7	A138 I140 L165 S190 I191 I230	A138-L163 HydrophobicContact CB-CD1 3.97Å; I140-L163 HydrophobicContact CG1-CD1 3.67Å; L163-L165 HydrophobicContact CD2-CD1 4.01Å; L163-L165 HydrophobicContact CG-CD1 3.87Å; L163-S190 WeakPolarHBondContact O-CA 3.35Å; L163-I191 HydrophobicContact CB-CB 4.36Å; L163-I191 HydrophobicContact CD2-CD1 4.27Å; L163-I191 PolarHBondContact N-O 3.32Å; L163-I191 PolarHBondContact O-N 3.28Å; L163-I230 HydrophobicContact CD2-CG2 3.52Å
164	Q	98.1	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	111	-176.7	-64.1	171	-19.5	0	0	109.4	A138 I139 D151 E162 Y166 V188 L189 W255	A138-Q164 CarbonylContact C-O 3.51Å; A138-Q164 WeakPolarHBondContact CA-O 3.48Å; A138-Q164 WeakPolarHBondContact CB-O 3.31Å; I139-Q164 PolarHBondContact N-O 2.78Å; I139-Q164 PolarHBondContact O-N 3.09Å; D151-Q164 PolarHBondContact OD2-NE2 3.12Å; E162-Q164 HydrophobicContact CG-CG 4.09Å; E162-Q164 WeakPolarHBondContact OE1-CG 3.08Å; E162-Q164 PolarHBondContact OE1-NE2 3.42Å; Q164-Y166 HydrophobicContact CB-CD2 4.26Å; Q164-Y166 HydrophobicContact CB-CE2 3.55Å; Q164-Y166 WeakPolarHBondContact O-CD2 3.36Å; Q164-Y166 PolarHBondContact OE1-OH 3.31Å; Q164-Y166 VanDerWaalsContact OE1-OH 3.08Å; Q164-V188 HydrophobicContact CB-CG1 4.14Å; Q164-L189 CarbonylContact C-O 3.51Å; Q164-L189 WeakPolarHBondContact CA-O 3.47Å; Q164-W255 HydrophobicContact CG-CH2 4.32Å; Q164-W255 HydrophobicContact CG-CZ3 4.15Å
165	L	97.5	Very high	97	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.4	176.5	-64.4	84.9	0	0	0	109.5	F124 L135 A138 L163 V188 L189 I191 L227 I231	F124-L165 HydrophobicContact CZ-CB 4.17Å; L135-L165 HydrophobicContact CD1-CB 3.87Å; L135-L165 HydrophobicContact CD1-CD2 4.2Å; A138-L165 HydrophobicContact CB-CG 4.18Å; L163-L165 HydrophobicContact CD2-CD1 4.01Å; L163-L165 HydrophobicContact CG-CD1 3.87Å; L165-V188 WeakPolarHBondContact O-CA 3.5Å; L165-L189 HydrophobicContact CB-CB 4.24Å; L165-L189 HydrophobicContact CD1-CD2 4.48Å; L165-L189 PolarHBondContact N-O 2.6Å; L165-L189 PolarHBondContact O-N 3.32Å; L165-I191 HydrophobicContact CD1-CD1 3.66Å; L165-I191 HydrophobicContact CD1-CG1 4.39Å; L165-L227 HydrophobicContact CD2-CD1 4.39Å; L165-I231 HydrophobicContact CD2-CD1 3.6Å; L165-I231 HydrophobicContact CD2-CG1 4.21Å
166	Y	97.9	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.1	-176.5	-72.9	-100.2	0	0	0	110.4	W24 F136 G137 I139 Q164 F176 V188 L244 P245 F246	W24-Y166 AromaticContact CH2-CD2 3.68Å; W24-Y166 HydrophobicContact CH2-CD2 3.68Å; W24-Y166 HydrophobicContact CH2-CE2 4.41Å; W24-Y166 AromaticContact CH2-CG 3.97Å; W24-Y166 HydrophobicContact CH2-CG 3.97Å; W24-Y166 HydrophobicContact CZ3-CD1 4.1Å; W24-Y166 AromaticContact CZ3-CD2 3.54Å; W24-Y166 HydrophobicContact CZ3-CD2 3.54Å; W24-Y166 HydrophobicContact CZ3-CE2 4.06Å; W24-Y166 AromaticContact CZ3-CG 3.57Å; W24-Y166 HydrophobicContact CZ3-CG 3.57Å; F136-Y166 WeakPolarHBondContact CB-O 3.47Å; F136-Y166 PolarHBondContact N-O 3.48Å; G137-Y166 PolarHBondContact N-O 3.46Å; G137-Y166 PolarHBondContact O-N 2.91Å; I139-Y166 HydrophobicContact CB-CE2 4.04Å; I139-Y166 HydrophobicContact CD1-CD2 4.38Å; I139-Y166 HydrophobicContact CD1-CE2 3.72Å; I139-Y166 HydrophobicContact CG1-CD2 4.1Å; I139-Y166 HydrophobicContact CG1-CE2 3.7Å; Q164-Y166 HydrophobicContact CB-CD2 4.26Å; Q164-Y166 HydrophobicContact CB-CE2 3.55Å; Q164-Y166 WeakPolarHBondContact O-CD2 3.36Å; Q164-Y166 PolarHBondContact OE1-OH 3.31Å; Q164-Y166 VanDerWaalsContact OE1-OH 3.08Å; Y166-F176 HydrophobicContact CD1-CZ 4.31Å; Y166-V188 HydrophobicContact CD1-CG1 4.33Å; Y166-V188 HydrophobicContact CD1-CG2 3.41Å; Y166-V188 VanDerWaalsContact CD1-CG2 3.41Å; Y166-V188 HydrophobicContact CD2-CG1 4.35Å; Y166-V188 HydrophobicContact CE1-CG1 4.2Å; Y166-V188 HydrophobicContact CE1-CG2 3.57Å; Y166-V188 HydrophobicContact CE2-CG1 4.24Å; Y166-V188 HydrophobicContact CG-CG1 4.39Å; Y166-V188 HydrophobicContact CG-CG2 4.04Å; Y166-L244 HydrophobicContact CD1-CD2 4.43Å; Y166-L244 HydrophobicContact CE1-CD2 3.86Å; Y166-P245 WeakPolarHBondContact OH-CD 3.29Å; Y166-F246 AromaticContact CE1-CE1 3.96Å; Y166-F246 HydrophobicContact CE1-CE1 3.96Å; Y166-F246 HydrophobicContact CE1-CZ 4.11Å; Y166-F246 AromaticContact CZ-CE1 3.76Å; Y166-F246 WeakPolarHBondContact OH-CE1 3.33Å
167	A	97.7	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150	172.4	0	0	0	0	0	110.3	F124 R134 L186 A187	F124-A167 HydrophobicContact CD2-CB 3.47Å; F124-A167 VanDerWaalsContact CD2-CB 3.47Å; F124-A167 HydrophobicContact CE2-CB 3.59Å; F124-A167 HydrophobicContact CG-CB 4.23Å; F124-A167 HydrophobicContact CZ-CB 4.42Å; R134-A167 CarbonylContact O-C 3.24Å; R134-A167 WeakPolarHBondContact O-CA 3.08Å; R134-A167 WeakPolarHBondContact O-CB 3.5Å; A167-L186 WeakPolarHBondContact O-CA 3.42Å; A167-L186 WeakPolarHBondContact O-CD2 3.38Å; A167-A187 PolarHBondContact N-O 3.3Å; A167-A187 PolarHBondContact O-N 3.22Å; A167-A187 VanDerWaalsContact O-O 3.12Å
168	F	97.7	Very high	96.6	Very high	21 Å²	21	28.2 Å²	28.2	9%	0.092	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.6	179.1	73.9	-74.9	0	0	0	112.4	Y133 R134 F136 Y170 F176 A179 G185 L186	Y133-F168 CarbonylContact C-O 3.47Å; Y133-F168 VanDerWaalsContact CA-O 3.26Å; Y133-F168 WeakPolarHBondContact CA-O 3.29Å; R134-F168 HydrophobicContact CB-CE1 4.09Å; R134-F168 HydrophobicContact CG-CE1 4.47Å; R134-F168 PolarHBondContact N-O 2.8Å; R134-F168 WeakPolarHBondContact O-CD1 3.45Å; R134-F168 PolarHBondContact O-N 2.92Å; F136-F168 HydrophobicContact CB-CD1 4.14Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 2.73Å; F168-F176 HydrophobicContact CB-CB 4.44Å; F168-F176 HydrophobicContact CB-CD2 3.74Å; F168-F176 HydrophobicContact CB-CE2 4.46Å; F168-F176 HydrophobicContact CB-CG 4.47Å; F168-F176 HydrophobicContact CD1-CB 4.08Å; F168-F176 HydrophobicContact CD1-CD2 4.03Å; F168-F176 HydrophobicContact CG-CB 4.16Å; F168-F176 HydrophobicContact CG-CD2 4.15Å; F168-A179 HydrophobicContact CB-CB 3.86Å; F168-A179 HydrophobicContact CD2-CB 4.27Å; F168-G185 WeakPolarHBondContact CA-O 3.31Å; F168-L186 HydrophobicContact CB-CD2 3.73Å
169	N	98.1	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	90.4	176.8	-170.3	-30.1	0	0	0	109.9	Y131 Y133 I171 L172 Y173 N184 G185	Y131-N169 WeakPolarHBondContact CB-ND2 3.16Å; Y131-N169 VanDerWaalsContact CD2-ND2 3.3Å; Y131-N169 WeakPolarHBondContact CD2-ND2 3.46Å; Y133-N169 HydrophobicContact CD1-CB 3.98Å; Y133-N169 VanDerWaalsContact CD1-N 3.25Å; Y133-N169 HydrophobicContact CE1-CB 3.56Å; N169-I171 PolarHBondContact O-N 2.88Å; N169-I171 WeakPolarHBondContact OD1-CB 3.33Å; N169-I171 PolarHBondContact OD1-N 2.82Å; N169-L172 VanDerWaalsContact ND2-CD1 3.35Å; N169-L172 WeakPolarHBondContact ND2-CD1 3.09Å; N169-L172 PolarHBondContact OD1-N 3.35Å; N169-Y173 HydrophobicContact CB-CD2 4.07Å; N169-Y173 HydrophobicContact CB-CE2 4.36Å; N169-Y173 PolarHBondContact O-N 3.1Å; N169-N184 VanDerWaalsContact CB-O 3.29Å; N169-N184 WeakPolarHBondContact CB-O 3.38Å; N169-N184 PolarHBondContact ND2-O 3.39Å; N169-G185 PolarHBondContact N-O 3.5Å
170	Y	96.2	Very high	96.4	Very high	71 Å²	71	26.3 Å²	26.3	28%	0.278	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.9	-179.1	77	-82.4	0	0	0	112.9	V123 D132 R134 F168	V123-Y170 HydrophobicContact CG1-CE1 4.32Å; D132-Y170 HydrophobicContact CB-CE1 3.82Å; D132-Y170 WeakPolarHBondContact O-CD1 3.37Å; R134-Y170 HydrophobicContact CB-CD1 3.64Å; R134-Y170 HydrophobicContact CB-CE1 4.35Å; R134-Y170 HydrophobicContact CB-CG 4.01Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 2.73Å
171	I	97.2	Very high	96.2	Very high	97 Å²	97	27.7 Å²	27.7	50%	0.497	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-43.6	174.7	-55.7	-62.8	0	0	0	109.9	N169	N169-I171 PolarHBondContact O-N 2.88Å; N169-I171 WeakPolarHBondContact OD1-CB 3.33Å; N169-I171 PolarHBondContact OD1-N 2.82Å
172	L	97.6	Very high	96.1	Very high	76 Å²	76	32.3 Å²	32.3	40%	0.398	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-29.1	-177.8	-62.3	-174.4	0	0	0	113.6	Y131 N169	Y131-L172 HydrophobicContact CD1-CG 4.39Å; Y131-L172 HydrophobicContact CD2-CD1 4.45Å; Y131-L172 HydrophobicContact CE1-CD1 4.09Å; Y131-L172 HydrophobicContact CE1-CD2 4.09Å; Y131-L172 HydrophobicContact CE1-CG 4.17Å; Y131-L172 HydrophobicContact CE2-CD1 4.04Å; N169-L172 VanDerWaalsContact ND2-CD1 3.35Å; N169-L172 WeakPolarHBondContact ND2-CD1 3.09Å; N169-L172 PolarHBondContact OD1-N 3.35Å
173	Y	96.7	Very high	96.1	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.153	20%	0.197	C	C	.	.			trans	-127.3	139.6	-170.4	-53.8	-59	0	0	0	112.5	N169 N175 V178 A179 K182 P183	N169-Y173 HydrophobicContact CB-CD2 4.07Å; N169-Y173 HydrophobicContact CB-CE2 4.36Å; N169-Y173 PolarHBondContact O-N 3.1Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 2.98Å; Y173-V178 HydrophobicContact CD1-CG1 4.16Å; Y173-A179 HydrophobicContact CD2-CB 3.65Å; Y173-A179 HydrophobicContact CG-CB 3.99Å; Y173-K182 HydrophobicContact CD1-CB 4.25Å; Y173-K182 HydrophobicContact CD1-CG 4.33Å; Y173-K182 HydrophobicContact CE1-CB 3.52Å; Y173-K182 HydrophobicContact CE1-CG 3.88Å; Y173-K182 HydrophobicContact CE2-CB 3.89Å; Y173-K182 WeakPolarHBondContact OH-CB 3.49Å; Y173-P183 PolarHBondContact OH-O 2.84Å
174	P	94.3	Very high	96	Very high	108 Å²	108	39.1 Å²	39.1	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	-69.5	-23.5	-174.7	27.4	-35.9	0	0	0	113.6	V178	P174-V178 HydrophobicContact CG-CB 4.38Å; P174-V178 HydrophobicContact CG-CG2 4.19Å
175	N	93.1	Very high	96	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	21%	0.211	S	C	.	.	S	Bend	trans	-160.9	166.1	179.5	58.1	66.9	0	0	0	111.3	Y173 S177 V178 A179	Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 2.98Å; N175-S177 VanDerWaalsContact C-N 3.31Å; N175-S177 PolarHBondContact O-N 2.86Å; N175-S177 WeakPolarHBondContact OD1-CB 3.5Å; N175-S177 PolarHBondContact OD1-N 2.83Å; N175-V178 PolarHBondContact O-N 3.05Å; N175-V178 WeakPolarHBondContact OD1-CG2 3.43Å; N175-V178 PolarHBondContact OD1-N 2.68Å; N175-A179 PolarHBondContact O-N 2.95Å; N175-A179 VanDerWaalsContact O-N 3.12Å
176	F	94.1	Very high	96.1	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-55.5	-42.5	178.8	-171.9	-90.7	0	0	0	113.3	W24 F136 Y166 F168 V178 A179 L180 L186	W24-F176 HydrophobicContact CE3-CE1 4.27Å; W24-F176 HydrophobicContact CE3-CZ 4.28Å; W24-F176 HydrophobicContact CZ3-CZ 4.3Å; F136-F176 HydrophobicContact CB-CD2 3.51Å; F136-F176 HydrophobicContact CB-CE2 3.96Å; F136-F176 HydrophobicContact CB-CG 4.24Å; F136-F176 HydrophobicContact CD1-CD1 4.13Å; F136-F176 AromaticContact CD1-CD2 3.63Å; F136-F176 HydrophobicContact CD1-CD2 3.63Å; F136-F176 HydrophobicContact CD1-CE1 4.1Å; F136-F176 AromaticContact CD1-CE2 3.64Å; F136-F176 HydrophobicContact CD1-CE2 3.64Å; F136-F176 AromaticContact CD1-CG 3.91Å; F136-F176 HydrophobicContact CD1-CG 3.91Å; F136-F176 AromaticContact CD1-CZ 3.88Å; F136-F176 HydrophobicContact CD1-CZ 3.88Å; F136-F176 HydrophobicContact CD2-CB 3.3Å; F136-F176 HydrophobicContact CD2-CD1 4.07Å; F136-F176 AromaticContact CD2-CD2 3.6Å; F136-F176 HydrophobicContact CD2-CD2 3.6Å; F136-F176 HydrophobicContact CD2-CE2 4.44Å; F136-F176 AromaticContact CD2-CG 3.39Å; F136-F176 HydrophobicContact CD2-CG 3.39Å; F136-F176 AromaticContact CE1-CD1 3.82Å; F136-F176 HydrophobicContact CE1-CD1 3.82Å; F136-F176 HydrophobicContact CE1-CD2 4.18Å; F136-F176 AromaticContact CE1-CE1 3.78Å; F136-F176 HydrophobicContact CE1-CE1 3.78Å; F136-F176 HydrophobicContact CE1-CE2 4.19Å; F136-F176 HydrophobicContact CE1-CG 4.03Å; F136-F176 AromaticContact CE1-CZ 4Å; F136-F176 HydrophobicContact CE1-CZ 4Å; F136-F176 HydrophobicContact CE2-CB 3.39Å; F136-F176 AromaticContact CE2-CD1 3.66Å; F136-F176 HydrophobicContact CE2-CD1 3.66Å; F136-F176 HydrophobicContact CE2-CD2 4.08Å; F136-F176 HydrophobicContact CE2-CE1 4.45Å; F136-F176 AromaticContact CE2-CG 3.45Å; F136-F176 HydrophobicContact CE2-CG 3.45Å; F136-F176 VanDerWaalsContact CE2-CG 3.45Å; F136-F176 HydrophobicContact CG-CB 4Å; F136-F176 HydrophobicContact CG-CD1 4.26Å; F136-F176 AromaticContact CG-CD2 3.31Å; F136-F176 HydrophobicContact CG-CD2 3.31Å; F136-F176 AromaticContact CG-CE2 3.8Å; F136-F176 HydrophobicContact CG-CE2 3.8Å; F136-F176 AromaticContact CG-CG 3.61Å; F136-F176 HydrophobicContact CG-CG 3.61Å; F136-F176 HydrophobicContact CG-CZ 4.42Å; F136-F176 HydrophobicContact CZ-CB 4.23Å; F136-F176 AromaticContact CZ-CD1 3.59Å; F136-F176 HydrophobicContact CZ-CD1 3.59Å; F136-F176 HydrophobicContact CZ-CD2 4.4Å; F136-F176 AromaticContact CZ-CE1 3.99Å; F136-F176 HydrophobicContact CZ-CE1 3.99Å; F136-F176 AromaticContact CZ-CG 3.83Å; F136-F176 HydrophobicContact CZ-CG 3.83Å; Y166-F176 HydrophobicContact CD1-CZ 4.31Å; F168-F176 HydrophobicContact CB-CB 4.44Å; F168-F176 HydrophobicContact CB-CD2 3.74Å; F168-F176 HydrophobicContact CB-CE2 4.46Å; F168-F176 HydrophobicContact CB-CG 4.47Å; F168-F176 HydrophobicContact CD1-CB 4.08Å; F168-F176 HydrophobicContact CD1-CD2 4.03Å; F168-F176 HydrophobicContact CG-CB 4.16Å; F168-F176 HydrophobicContact CG-CD2 4.15Å; F176-V178 VanDerWaalsContact C-N 3.29Å; F176-V178 PolarHBondContact O-N 2.81Å; F176-A179 PolarHBondContact O-N 2.95Å; F176-L180 HydrophobicContact CD1-CD1 3.95Å; F176-L180 HydrophobicContact CD1-CD2 4.33Å; F176-L180 HydrophobicContact CD1-CG 3.93Å; F176-L180 HydrophobicContact CE1-CD1 3.84Å; F176-L180 HydrophobicContact CE1-CD2 3.59Å; F176-L180 HydrophobicContact CE1-CG 3.7Å; F176-L180 HydrophobicContact CZ-CD2 3.98Å; F176-L180 HydrophobicContact CZ-CG 4.41Å; F176-L180 WeakPolarHBondContact O-CG 3.39Å; F176-L180 PolarHBondContact O-N 2.8Å; F176-L186 HydrophobicContact CD2-CD2 3.91Å; F176-L186 HydrophobicContact CE2-CD2 3.48Å; F176-L186 VanDerWaalsContact CE2-CD2 3.48Å; F176-L186 HydrophobicContact CZ-CD1 4.35Å; F176-L186 HydrophobicContact CZ-CD2 4.02Å
177	S	93.2	Very high	96.1	Very high	13 Å²	13	39 Å²	39	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-37.3	-177.5	-172	0	0	0	0	112.3	Q25 E26 S27 N175	Q25-S177 WeakPolarHBondContact O-CB 3.41Å; Q25-S177 PolarHBondContact O-OG 2.9Å; E26-S177 VanDerWaalsContact CA-O 3.29Å; E26-S177 WeakPolarHBondContact CA-O 3.43Å; E26-S177 WeakPolarHBondContact CA-OG 3.34Å; S27-S177 PolarHBondContact N-OG 3.02Å; N175-S177 VanDerWaalsContact C-N 3.31Å; N175-S177 PolarHBondContact O-N 2.86Å; N175-S177 WeakPolarHBondContact OD1-CB 3.5Å; N175-S177 PolarHBondContact OD1-N 2.83Å
178	V	94.4	Very high	96.2	Very high	39 Å²	39	39 Å²	39	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-74.5	-39.3	173.3	175	0	0	0	0	111.4	Y173 P174 N175 F176 L180 K182	Y173-V178 HydrophobicContact CD1-CG1 4.16Å; P174-V178 HydrophobicContact CG-CB 4.38Å; P174-V178 HydrophobicContact CG-CG2 4.19Å; N175-V178 PolarHBondContact O-N 3.05Å; N175-V178 WeakPolarHBondContact OD1-CG2 3.43Å; N175-V178 PolarHBondContact OD1-N 2.68Å; F176-V178 VanDerWaalsContact C-N 3.29Å; F176-V178 PolarHBondContact O-N 2.81Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 3.34Å; V178-K182 WeakPolarHBondContact O-CG 3.22Å
179	A	96.3	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-32	-177.5	0	0	0	0	0	113.3	F168 Y173 N175 F176 S181 K182 G185 L186	F168-A179 HydrophobicContact CB-CB 3.86Å; F168-A179 HydrophobicContact CD2-CB 4.27Å; Y173-A179 HydrophobicContact CD2-CB 3.65Å; Y173-A179 HydrophobicContact CG-CB 3.99Å; N175-A179 PolarHBondContact O-N 2.95Å; N175-A179 VanDerWaalsContact O-N 3.12Å; F176-A179 PolarHBondContact O-N 2.95Å; A179-S181 PolarHBondContact O-N 3.28Å; A179-S181 VanDerWaalsContact O-N 3.1Å; A179-K182 PolarHBondContact O-N 2.79Å; A179-K182 VanDerWaalsContact O-N 3.07Å; A179-G185 WeakPolarHBondContact O-CA 3.21Å; A179-L186 HydrophobicContact CB-CD2 4.4Å
180	L	94.3	Very high	96.2	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-44.3	-177	-84.1	166.3	0	0	0	113.9	E26 F176 V178 L186 L244 Y250 T252	E26-L180 HydrophobicContact CB-CB 4.49Å; F176-L180 HydrophobicContact CD1-CD1 3.95Å; F176-L180 HydrophobicContact CD1-CD2 4.33Å; F176-L180 HydrophobicContact CD1-CG 3.93Å; F176-L180 HydrophobicContact CE1-CD1 3.84Å; F176-L180 HydrophobicContact CE1-CD2 3.59Å; F176-L180 HydrophobicContact CE1-CG 3.7Å; F176-L180 HydrophobicContact CZ-CD2 3.98Å; F176-L180 HydrophobicContact CZ-CG 4.41Å; F176-L180 WeakPolarHBondContact O-CG 3.39Å; F176-L180 PolarHBondContact O-N 2.8Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 3.34Å; L180-L186 HydrophobicContact CD2-CD1 3.82Å; L180-L244 HydrophobicContact CD2-CD1 3.4Å; L180-L244 VanDerWaalsContact CD2-CD1 3.4Å; L180-L244 HydrophobicContact CD2-CD2 4.07Å; L180-L244 HydrophobicContact CD2-CG 4.32Å; L180-Y250 HydrophobicContact CB-CD2 4.31Å; L180-Y250 WeakPolarHBondContact O-CB 3.36Å; L180-T252 WeakPolarHBondContact O-CG2 3.18Å; L180-T252 PolarHBondContact O-OG1 3.35Å
181	S	93.4	Very high	96.3	Very high	37 Å²	37	34.6 Å²	34.6	26%	0.259	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14.6	-174.8	59.3	0	0	0	0	114.4	E26 A179	E26-S181 VanDerWaalsContact OE2-CB 3.31Å; E26-S181 WeakPolarHBondContact OE2-CB 3.49Å; E26-S181 PolarHBondContact OE2-OG 3.34Å; E26-S181 VanDerWaalsContact OE2-OG 3.06Å; A179-S181 PolarHBondContact O-N 3.28Å; A179-S181 VanDerWaalsContact O-N 3.1Å
182	K	96.4	Very high	96.3	Very high	96 Å²	96	30.4 Å²	30.4	42%	0.417	17%	0.171	S	C	.	.	S	Bend	trans	-117.3	148.7	-176.6	-57.6	-63.4	177.1	-167.1	0	112.9	Y173 V178 A179 G185 T252	Y173-K182 HydrophobicContact CD1-CB 4.25Å; Y173-K182 HydrophobicContact CD1-CG 4.33Å; Y173-K182 HydrophobicContact CE1-CB 3.52Å; Y173-K182 HydrophobicContact CE1-CG 3.88Å; Y173-K182 HydrophobicContact CE2-CB 3.89Å; Y173-K182 WeakPolarHBondContact OH-CB 3.49Å; V178-K182 WeakPolarHBondContact O-CG 3.22Å; A179-K182 PolarHBondContact O-N 2.79Å; A179-K182 VanDerWaalsContact O-N 3.07Å; K182-G185 WeakPolarHBondContact O-CA 3.19Å; K182-G185 PolarHBondContact O-N 3.17Å; K182-T252 VanDerWaalsContact O-CB 3.3Å; K182-T252 WeakPolarHBondContact O-CB 3.29Å; K182-T252 WeakPolarHBondContact O-CG2 3.23Å
183	P	96.4	Very high	96.2	Very high	91 Å²	91	26.8 Å²	26.8	59%	0.591	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	142.9	-178.9	-25.5	34.5	0	0	0	112.9	Y173 G185	Y173-P183 PolarHBondContact OH-O 2.84Å; P183-G185 PolarHBondContact O-N 2.76Å
184	N	96.5	Very high	96.2	Very high	66 Å²	66	27.3 Å²	27.3	35%	0.353	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	24.9	-175.2	-52.7	-49.8	0	0	0	113.1	Y131 Y133 N169	Y131-N184 HydrophobicContact CD2-CB 4.31Å; Y131-N184 HydrophobicContact CE2-CB 4.23Å; Y133-N184 VanDerWaalsContact CE1-O 3.3Å; Y133-N184 WeakPolarHBondContact CE1-O 3.11Å; Y133-N184 PolarHBondContact OH-O 3.16Å; N169-N184 VanDerWaalsContact CB-O 3.29Å; N169-N184 WeakPolarHBondContact CB-O 3.38Å; N169-N184 PolarHBondContact ND2-O 3.39Å
185	G	97.8	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.			trans	-66	-39.9	-173.1	0	0	0	0	0	113	F168 N169 A179 K182 P183 T252	F168-G185 WeakPolarHBondContact CA-O 3.31Å; N169-G185 PolarHBondContact N-O 3.5Å; A179-G185 WeakPolarHBondContact O-CA 3.21Å; K182-G185 WeakPolarHBondContact O-CA 3.19Å; K182-G185 PolarHBondContact O-N 3.17Å; P183-G185 PolarHBondContact O-N 2.76Å; G185-T252 PolarHBondContact N-O 3.42Å
186	L	98.5	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.7	-169.2	-60.1	-178.7	0	0	0	113.5	Y133 A167 F168 F176 A179 L180 L244 T252 V253 T254	Y133-L186 VanDerWaalsContact CE1-C 3.42Å; A167-L186 WeakPolarHBondContact O-CA 3.42Å; A167-L186 WeakPolarHBondContact O-CD2 3.38Å; F168-L186 HydrophobicContact CB-CD2 3.73Å; F176-L186 HydrophobicContact CD2-CD2 3.91Å; F176-L186 HydrophobicContact CE2-CD2 3.48Å; F176-L186 VanDerWaalsContact CE2-CD2 3.48Å; F176-L186 HydrophobicContact CZ-CD1 4.35Å; F176-L186 HydrophobicContact CZ-CD2 4.02Å; A179-L186 HydrophobicContact CB-CD2 4.4Å; L180-L186 HydrophobicContact CD2-CD1 3.82Å; L186-L244 HydrophobicContact CD1-CD2 3.57Å; L186-L244 HydrophobicContact CD1-CG 4.35Å; L186-T252 PolarHBondContact N-O 3.18Å; L186-V253 HydrophobicContact CB-CG2 4.08Å; L186-V253 HydrophobicContact CD1-CG2 3.98Å; L186-T254 PolarHBondContact O-N 2.99Å
187	A	98.6	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	164.1	0	0	0	0	0	107.7	L129 Y133 A167 T254	L129-A187 HydrophobicContact CD1-CB 4.21Å; L129-A187 HydrophobicContact CD2-CB 3.56Å; Y133-A187 HydrophobicContact CD1-CB 3.54Å; Y133-A187 HydrophobicContact CD2-CB 3.88Å; Y133-A187 HydrophobicContact CE1-CB 3.98Å; Y133-A187 HydrophobicContact CE2-CB 4.28Å; Y133-A187 HydrophobicContact CG-CB 3.52Å; A167-A187 PolarHBondContact N-O 3.3Å; A167-A187 PolarHBondContact O-N 3.22Å; A167-A187 VanDerWaalsContact O-O 3.12Å; A187-T254 WeakPolarHBondContact CA-O 3.25Å
188	V	98.6	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	-178.2	-175.5	0	0	0	0	109.9	Q164 L165 Y166 V253 T254 W255 I256	Q164-V188 HydrophobicContact CB-CG1 4.14Å; L165-V188 WeakPolarHBondContact O-CA 3.5Å; Y166-V188 HydrophobicContact CD1-CG1 4.33Å; Y166-V188 HydrophobicContact CD1-CG2 3.41Å; Y166-V188 VanDerWaalsContact CD1-CG2 3.41Å; Y166-V188 HydrophobicContact CD2-CG1 4.35Å; Y166-V188 HydrophobicContact CE1-CG1 4.2Å; Y166-V188 HydrophobicContact CE1-CG2 3.57Å; Y166-V188 HydrophobicContact CE2-CG1 4.24Å; Y166-V188 HydrophobicContact CG-CG1 4.39Å; Y166-V188 HydrophobicContact CG-CG2 4.04Å; V188-V253 HydrophobicContact CB-CG1 3.89Å; V188-V253 HydrophobicContact CG2-CG1 3.49Å; V188-V253 VanDerWaalsContact CG2-CG1 3.49Å; V188-T254 PolarHBondContact N-O 3.44Å; V188-W255 HydrophobicContact CB-CD2 4.29Å; V188-W255 HydrophobicContact CB-CE3 3.78Å; V188-W255 HydrophobicContact CB-CH2 4.31Å; V188-W255 HydrophobicContact CB-CZ3 3.79Å; V188-W255 HydrophobicContact CG1-CE3 3.71Å; V188-W255 HydrophobicContact CG1-CH2 3.77Å; V188-W255 HydrophobicContact CG1-CZ3 3.23Å; V188-I256 PolarHBondContact O-N 3.43Å
189	L	98.4	Very high	95.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118	172.3	-170.1	70.9	0	0	0	108.8	I93 F124 Q164 L165 I191 I231 I256 L258	I93-L189 HydrophobicContact CD1-CD2 3.76Å; F124-L189 HydrophobicContact CE2-CB 4.07Å; F124-L189 HydrophobicContact CZ-CB 4.37Å; Q164-L189 CarbonylContact C-O 3.51Å; Q164-L189 WeakPolarHBondContact CA-O 3.47Å; L165-L189 HydrophobicContact CB-CB 4.24Å; L165-L189 HydrophobicContact CD1-CD2 4.48Å; L165-L189 PolarHBondContact N-O 2.6Å; L165-L189 PolarHBondContact O-N 3.32Å; L189-I191 HydrophobicContact CD2-CD1 4.42Å; L189-I191 HydrophobicContact CG-CG1 4.48Å; L189-I231 HydrophobicContact CD2-CD1 4.05Å; L189-I231 HydrophobicContact CD2-CG2 3.86Å; L189-I256 CarbonylContact C-O 3.5Å; L189-I256 WeakPolarHBondContact CA-O 3.33Å; L189-I256 HydrophobicContact CD1-CB 4.02Å; L189-I256 HydrophobicContact CD1-CG2 3.57Å; L189-L258 HydrophobicContact CD1-CD1 4.09Å; L189-L258 HydrophobicContact CD1-CD2 3.64Å; L189-L258 HydrophobicContact CD1-CG 3.72Å; L189-L258 HydrophobicContact CD2-CD1 4.26Å; L189-L258 HydrophobicContact CG-CD1 4.29Å; L189-L258 HydrophobicContact CG-CG 4.27Å
190	S	98.4	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.8	-179.5	171.4	0	0	0	0	110	E162 L163 I256 L258	E162-S190 WeakPolarHBondContact CG-OG 3.43Å; E162-S190 PolarHBondContact OE1-OG 2.97Å; L163-S190 WeakPolarHBondContact O-CA 3.35Å; S190-I256 PolarHBondContact N-O 3.08Å; S190-L258 PolarHBondContact O-N 2.92Å
191	I	97.6	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.1	-175.1	-52.8	171.1	0	0	0	107.5	E162 L163 L165 L189 I231 P232 L258 V262	E162-I191 WeakPolarHBondContact CA-O 3.47Å; L163-I191 HydrophobicContact CB-CB 4.36Å; L163-I191 HydrophobicContact CD2-CD1 4.27Å; L163-I191 PolarHBondContact N-O 3.32Å; L163-I191 PolarHBondContact O-N 3.28Å; L165-I191 HydrophobicContact CD1-CD1 3.66Å; L165-I191 HydrophobicContact CD1-CG1 4.39Å; L189-I191 HydrophobicContact CD2-CD1 4.42Å; L189-I191 HydrophobicContact CG-CG1 4.48Å; I191-I231 HydrophobicContact CD1-CB 4.43Å; I191-I231 HydrophobicContact CD1-CG1 4.12Å; I191-I231 HydrophobicContact CD1-CG2 4.35Å; I191-P232 HydrophobicContact CG2-CG 3.84Å; I191-L258 HydrophobicContact CD1-CD1 4.42Å; I191-L258 HydrophobicContact CG1-CD1 4.04Å; I191-L258 HydrophobicContact CG1-CG 4.47Å; I191-V262 HydrophobicContact CG2-CB 4.42Å; I191-V262 HydrophobicContact CG2-CG1 3.74Å; I191-V262 HydrophobicContact CG2-CG2 4.03Å
192	F	97.8	Very high	93.8	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.8	174.2	-68.1	-59.8	0	0	0	111.3	H152 I154 F159 E162 I257 P261 V262	H152-F192 HydrophobicContact CB-CE1 3.72Å; H152-F192 HydrophobicContact CB-CZ 3.58Å; I154-F192 HydrophobicContact CD1-CE2 3.91Å; I154-F192 HydrophobicContact CD1-CZ 4.14Å; I154-F192 HydrophobicContact CG1-CE2 3.83Å; I154-F192 HydrophobicContact CG1-CZ 4.1Å; F159-F192 HydrophobicContact CB-CB 4.28Å; F159-F192 HydrophobicContact CB-CD1 3.93Å; F159-F192 HydrophobicContact CB-CG 4.42Å; F159-F192 HydrophobicContact CD1-CB 3.79Å; F159-F192 HydrophobicContact CD1-CG 4.25Å; F159-F192 HydrophobicContact CD2-CB 4.02Å; F159-F192 AromaticContact CD2-CD1 3.34Å; F159-F192 HydrophobicContact CD2-CD1 3.34Å; F159-F192 HydrophobicContact CD2-CD2 4.1Å; F159-F192 AromaticContact CD2-CE1 3.7Å; F159-F192 HydrophobicContact CD2-CE1 3.7Å; F159-F192 HydrophobicContact CD2-CE2 4.39Å; F159-F192 AromaticContact CD2-CG 3.55Å; F159-F192 HydrophobicContact CD2-CG 3.55Å; F159-F192 HydrophobicContact CD2-CZ 4.21Å; F159-F192 HydrophobicContact CE1-CB 4.06Å; F159-F192 HydrophobicContact CE1-CG 4.42Å; F159-F192 HydrophobicContact CE2-CB 4.29Å; F159-F192 AromaticContact CE2-CD1 3.95Å; F159-F192 HydrophobicContact CE2-CD1 3.95Å; F159-F192 AromaticContact CE2-CD2 3.85Å; F159-F192 HydrophobicContact CE2-CD2 3.85Å; F159-F192 HydrophobicContact CE2-CE1 4.19Å; F159-F192 HydrophobicContact CE2-CE2 4.08Å; F159-F192 AromaticContact CE2-CG 3.77Å; F159-F192 HydrophobicContact CE2-CG 3.77Å; F159-F192 HydrophobicContact CE2-CZ 4.24Å; F159-F192 HydrophobicContact CG-CB 3.76Å; F159-F192 AromaticContact CG-CD1 3.7Å; F159-F192 HydrophobicContact CG-CD1 3.7Å; F159-F192 HydrophobicContact CG-CE1 4.46Å; F159-F192 AromaticContact CG-CG 3.82Å; F159-F192 HydrophobicContact CG-CG 3.82Å; F159-F192 HydrophobicContact CZ-CB 4.31Å; F159-F192 HydrophobicContact CZ-CD2 4.21Å; F159-F192 HydrophobicContact CZ-CG 4.2Å; E162-F192 HydrophobicContact CG-CD1 4.4Å; F192-I257 HydrophobicContact CD2-CG2 4.16Å; F192-I257 HydrophobicContact CE2-CG2 3.45Å; F192-I257 VanDerWaalsContact CE2-CG2 3.45Å; F192-I257 HydrophobicContact CZ-CG2 4.01Å; F192-P261 HydrophobicContact CB-CB 4.12Å; F192-P261 CarbonylContact O-C 3.57Å; F192-P261 WeakPolarHBondContact O-CA 3.17Å; F192-P261 VanDerWaalsContact O-CB 3.29Å; F192-P261 WeakPolarHBondContact O-CB 3.49Å; F192-V262 PolarHBondContact O-N 3.44Å
193	C	95.9	Very high	93.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	169.7	-57.4	0	0	0	0	109.3	P160 A161 V262 I264	P160-C193 WeakPolarHBondContact CD-O 3.25Å; P160-C193 WeakPolarHBondContact CG-O 3.41Å; A161-C193 HydrophobicContact CB-CB 3.74Å; A161-C193 WeakPolarHBondContact O-CB 3.29Å; A161-C193 PolarHBondContact O-N 3.12Å; C193-V262 CarbonylContact C-O 3.53Å; C193-V262 WeakPolarHBondContact CA-O 3.36Å; C193-V262 HydrophobicContact CB-CG2 4.27Å; C193-I264 HydrophobicContact CB-CB 4.38Å; C193-I264 HydrophobicContact CB-CG2 3.83Å
194	Q	95.3	Very high	92.8	Very high	50 Å²	50	43.4 Å²	43.4	23%	0.234	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.9	175.4	-176.9	175.1	-3.4	0	0	110.5	G196 P261 V262 I263 I264	Q194-G196 PolarHBondContact O-N 2.8Å; Q194-P261 HydrophobicContact CB-CB 4.16Å; Q194-P261 HydrophobicContact CB-CG 4.34Å; Q194-V262 PolarHBondContact N-O 3.44Å; Q194-I263 HydrophobicContact CB-CD1 4.3Å; Q194-I263 WeakPolarHBondContact O-CA 3.26Å; Q194-I264 PolarHBondContact O-N 2.03Å
195	V	95.6	Very high	92.2	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.339	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.9	175.2	-173.8	0	0	0	0	110.2	P160 I264 L269	P160-V195 HydrophobicContact CB-CG2 4.09Å; P160-V195 HydrophobicContact CG-CG2 3.77Å; V195-I264 CarbonylContact C-O 3.58Å; V195-I264 VanDerWaalsContact CA-O 3.27Å; V195-I264 WeakPolarHBondContact CA-O 3Å; V195-L269 HydrophobicContact CG2-CD1 3.62Å
196	G	94.6	Very high	91.6	Very high	20 Å²	20	42.5 Å²	42.5	21%	0.206	23%	0.232	C	C	.	.			trans	-149.5	178.8	171.8	0	0	0	0	0	112.4	Q194 I264	Q194-G196 PolarHBondContact O-N 2.8Å; G196-I264 PolarHBondContact N-O 3.3Å
197	N	91.9	Very high	91.1	Very high	175 Å²	175	42.8 Å²	42.8	94%	0.936	23%	0.233	S	C	*	.	S	Bend	trans	-81.2	-24.9	-172.6	-66.7	-18.9	0	0	0	113.6
198	R	88.7	Confident	90.6	Very high	219 Å²	219	45.1 Å²	45.1	83%	0.826	25%	0.25	S	C	*	.			trans	-137.8	119	-175.7	-174.1	176.2	-179.9	-172.9	-0	110	I263	R198-I263 WeakPolarHBondContact O-CG2 3.3Å
199	S	87.3	Confident	90.2	Very high	13 Å²	13	45.3 Å²	45.3	9%	0.091	25%	0.251	C	S	.	.			trans	-86.6	161.8	169	-161.4	0	0	0	0	109.9	L203 I263	S199-L203 WeakPolarHBondContact OG-CB 3.34Å; S199-I263 WeakPolarHBondContact CB-O 3.47Å; S199-I263 PolarHBondContact OG-O 2.96Å
200	S	84.7	Confident	89.9	Confident	45 Å²	45	45.3 Å²	45.3	32%	0.315	25%	0.251	S	S	.	.			trans	-69	155.5	167.4	65.2	0	0	0	0	109.7	D202 L203 E204	S200-D202 PolarHBondContact O-N 3.08Å; S200-L203 PolarHBondContact O-N 2.91Å; S200-L203 WeakPolarHBondContact OG-CB 3.49Å; S200-L203 WeakPolarHBondContact OG-CD1 3.3Å; S200-L203 WeakPolarHBondContact OG-CG 3.5Å; S200-L203 PolarHBondContact OG-N 2.87Å; S200-E204 WeakPolarHBondContact O-CB 3.46Å; S200-E204 PolarHBondContact O-N 2.9Å
201	A	82.4	Confident	89.7	Confident	73 Å²	73	49 Å²	49	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-58.6	-36.2	178.8	0	0	0	0	0	111.6	E204 A205	A201-E204 WeakPolarHBondContact O-CB 3.15Å; A201-E204 PolarHBondContact O-N 2.73Å; A201-A205 PolarHBondContact O-N 2.86Å
202	D	78.5	Confident	89.6	Confident	60 Å²	60	54.4 Å²	54.4	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-73	-39.5	-178.9	-53.1	-85.3	0	0	0	112.8	S200 E204 A205 I206 A229	S200-D202 PolarHBondContact O-N 3.08Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 2.95Å; D202-A205 WeakPolarHBondContact O-CB 3.25Å; D202-A205 PolarHBondContact O-N 2.84Å; D202-I206 PolarHBondContact O-N 2.72Å; D202-I206 VanDerWaalsContact O-N 3.09Å; D202-A229 HydrophobicContact CB-CB 3.5Å; D202-A229 VanDerWaalsContact CB-CB 3.5Å; D202-A229 VanDerWaalsContact OD2-CB 3.32Å; D202-A229 WeakPolarHBondContact OD2-CB 3.37Å
203	L	84.3	Confident	89.6	Confident	8 Å²	8	54 Å²	54	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-36.2	170.8	-71.4	170.5	0	0	0	110.8	S199 S200 I206 F207 I230 V262	S199-L203 WeakPolarHBondContact OG-CB 3.34Å; S200-L203 PolarHBondContact O-N 2.91Å; S200-L203 WeakPolarHBondContact OG-CB 3.49Å; S200-L203 WeakPolarHBondContact OG-CD1 3.3Å; S200-L203 WeakPolarHBondContact OG-CG 3.5Å; S200-L203 PolarHBondContact OG-N 2.87Å; L203-I206 PolarHBondContact O-N 3.08Å; L203-F207 HydrophobicContact CB-CD2 4.26Å; L203-F207 HydrophobicContact CB-CE2 4.28Å; L203-F207 HydrophobicContact CD2-CE2 4.02Å; L203-F207 WeakPolarHBondContact O-CB 3.42Å; L203-F207 WeakPolarHBondContact O-CD2 3.47Å; L203-F207 PolarHBondContact O-N 2.78Å; L203-I230 HydrophobicContact CD2-CG2 4Å; L203-V262 HydrophobicContact CD1-CB 3.74Å; L203-V262 HydrophobicContact CD1-CG1 4.26Å; L203-V262 HydrophobicContact CD1-CG2 4.34Å; L203-V262 HydrophobicContact CD2-CG2 4.44Å
204	E	87.1	Confident	89.6	Confident	116 Å²	116	56.5 Å²	56.5	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-41.4	173	-171.7	173.4	-172.1	0	0	112.8	S200 A201 D202 I206 F207 S208 Q268	S200-E204 WeakPolarHBondContact O-CB 3.46Å; S200-E204 PolarHBondContact O-N 2.9Å; A201-E204 WeakPolarHBondContact O-CB 3.15Å; A201-E204 PolarHBondContact O-N 2.73Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 2.95Å; E204-I206 VanDerWaalsContact C-N 3.33Å; E204-I206 PolarHBondContact O-N 2.79Å; E204-F207 PolarHBondContact O-N 2.65Å; E204-S208 WeakPolarHBondContact O-CB 3.02Å; E204-S208 PolarHBondContact O-N 2.74Å; E204-S208 PolarHBondContact O-OG 3.14Å; E204-Q268 VanDerWaalsContact CA-NE2 3.26Å
205	A	84.2	Confident	89.8	Confident	41 Å²	41	55.9 Å²	55.9	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-60.2	-41.6	173.8	0	0	0	0	0	112.2	A201 D202 S208	A201-A205 PolarHBondContact O-N 2.86Å; D202-A205 WeakPolarHBondContact O-CB 3.25Å; D202-A205 PolarHBondContact O-N 2.84Å; A205-S208 PolarHBondContact O-OG 3.19Å
206	I	85.7	Confident	89.8	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-69.6	-49	177.6	-72.1	162.5	0	0	0	111.9	I104 M113 I140 D202 L203 E204 I209 L222 L225 I230	I104-I206 HydrophobicContact CD1-CG2 4.15Å; M113-I206 HydrophobicContact CE-CD1 4.15Å; M113-I206 HydrophobicContact CE-CG1 4.34Å; M113-I206 HydrophobicContact CE-CG2 4.42Å; I140-I206 HydrophobicContact CD1-CG2 4.14Å; D202-I206 PolarHBondContact O-N 2.72Å; D202-I206 VanDerWaalsContact O-N 3.09Å; L203-I206 PolarHBondContact O-N 3.08Å; E204-I206 VanDerWaalsContact C-N 3.33Å; E204-I206 PolarHBondContact O-N 2.79Å; I206-I209 WeakPolarHBondContact O-CB 3.34Å; I206-I209 PolarHBondContact O-N 3.21Å; I206-L222 HydrophobicContact CG1-CD1 4.36Å; I206-L225 HydrophobicContact CD1-CD1 4.13Å; I206-L225 HydrophobicContact CD1-CD2 4.25Å; I206-L225 HydrophobicContact CG1-CD1 4.12Å; I206-L225 HydrophobicContact CG1-CD2 4.5Å; I206-I230 HydrophobicContact CD1-CD1 3.16Å; I206-I230 HydrophobicContact CD1-CG1 3.52Å; I206-I230 HydrophobicContact CD1-CG2 4.27Å; I206-I230 HydrophobicContact CG1-CD1 4.46Å
207	F	86.6	Confident	89.8	Confident	5 Å²	5	58 Å²	58	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-75.6	-25.8	-173.1	-70.6	-60	0	0	0	113.3	I140 L203 E204 I209 A210 I264 Q268 L272	I140-F207 HydrophobicContact CG2-CE1 4.1Å; L203-F207 HydrophobicContact CB-CD2 4.26Å; L203-F207 HydrophobicContact CB-CE2 4.28Å; L203-F207 HydrophobicContact CD2-CE2 4.02Å; L203-F207 WeakPolarHBondContact O-CB 3.42Å; L203-F207 WeakPolarHBondContact O-CD2 3.47Å; L203-F207 PolarHBondContact O-N 2.78Å; E204-F207 PolarHBondContact O-N 2.65Å; F207-I209 PolarHBondContact O-N 2.89Å; F207-A210 VanDerWaalsContact O-CB 3.24Å; F207-A210 WeakPolarHBondContact O-CB 3.13Å; F207-A210 PolarHBondContact O-N 2.9Å; F207-A210 VanDerWaalsContact O-N 3.11Å; F207-I264 HydrophobicContact CD1-CD1 3.86Å; F207-I264 HydrophobicContact CD2-CD1 3.73Å; F207-I264 HydrophobicContact CD2-CG1 3.94Å; F207-I264 HydrophobicContact CE1-CD1 3.72Å; F207-I264 HydrophobicContact CE2-CB 4.46Å; F207-I264 HydrophobicContact CE2-CD1 3.6Å; F207-I264 HydrophobicContact CE2-CG1 3.95Å; F207-I264 HydrophobicContact CG-CD1 3.89Å; F207-I264 HydrophobicContact CG-CG1 4.42Å; F207-I264 HydrophobicContact CZ-CD1 3.6Å; F207-I264 HydrophobicContact CZ-CG1 4.43Å; F207-Q268 HydrophobicContact CB-CB 3.92Å; F207-Q268 HydrophobicContact CB-CG 3.85Å; F207-Q268 HydrophobicContact CG-CB 4.43Å; F207-L272 HydrophobicContact CD1-CD1 3.72Å; F207-L272 HydrophobicContact CD1-CD2 4.3Å; F207-L272 HydrophobicContact CD1-CG 4.27Å; F207-L272 HydrophobicContact CE1-CD1 3.89Å
208	S	88.3	Confident	90.1	Very high	50 Å²	50	53.3 Å²	53.3	35%	0.35	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.7	-18.3	172.9	64.8	0	0	0	0	113.4	E204 A205 A210 D211 H212	E204-S208 WeakPolarHBondContact O-CB 3.02Å; E204-S208 PolarHBondContact O-N 2.74Å; E204-S208 PolarHBondContact O-OG 3.14Å; A205-S208 PolarHBondContact O-OG 3.19Å; S208-A210 PolarHBondContact O-N 2.82Å; S208-D211 PolarHBondContact O-N 2.93Å; S208-H212 PolarHBondContact O-ND1 2.82Å
209	I	90.3	Very high	90.5	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.2	174.1	-68.9	164.4	0	0	0	111.9	I104 I206 F207 D211 H212 V213 K220 L222	I104-I209 HydrophobicContact CB-CD1 4.38Å; I104-I209 HydrophobicContact CB-CG2 3.99Å; I104-I209 HydrophobicContact CD1-CD1 3.33Å; I104-I209 HydrophobicContact CG1-CD1 4.35Å; I104-I209 HydrophobicContact CG2-CG2 3.74Å; I206-I209 WeakPolarHBondContact O-CB 3.34Å; I206-I209 PolarHBondContact O-N 3.21Å; F207-I209 PolarHBondContact O-N 2.89Å; I209-D211 PolarHBondContact O-N 3.41Å; I209-H212 WeakPolarHBondContact O-CA 2.89Å; I209-H212 WeakPolarHBondContact O-CB 3.43Å; I209-H212 PolarHBondContact O-N 3.02Å; I209-V213 HydrophobicContact CG2-CG1 3.89Å; I209-V213 HydrophobicContact CG2-CG2 3.97Å; I209-V213 WeakPolarHBondContact O-CG2 3.33Å; I209-V213 PolarHBondContact O-N 3.41Å; I209-K220 HydrophobicContact CG1-CG 4.29Å; I209-K220 HydrophobicContact CG2-CB 3.7Å; I209-K220 HydrophobicContact CG2-CG 4.28Å; I209-L222 HydrophobicContact CD1-CD1 3.37Å; I209-L222 HydrophobicContact CD1-CD2 3.77Å; I209-L222 HydrophobicContact CD1-CG 3.41Å; I209-L222 VanDerWaalsContact CD1-CG 3.41Å; I209-L222 HydrophobicContact CG1-CD2 4.36Å; I209-L222 HydrophobicContact CG1-CG 4.47Å
210	A	92.7	Very high	90.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-52.7	-32.3	178.5	0	0	0	0	0	112.2	F207 S208 H212 Q214 L272 L275	F207-A210 VanDerWaalsContact O-CB 3.24Å; F207-A210 WeakPolarHBondContact O-CB 3.13Å; F207-A210 PolarHBondContact O-N 2.9Å; F207-A210 VanDerWaalsContact O-N 3.11Å; S208-A210 PolarHBondContact O-N 2.82Å; A210-H212 VanDerWaalsContact C-N 3.25Å; A210-H212 PolarHBondContact O-N 3.49Å; A210-Q214 WeakPolarHBondContact O-CG 3.37Å; A210-L272 HydrophobicContact CB-CD2 3.88Å; A210-L272 HydrophobicContact CB-CG 4.24Å; A210-L275 HydrophobicContact CB-CD2 4.49Å; A210-L275 WeakPolarHBondContact O-CD2 3.34Å
211	D	94.1	Very high	91.4	Very high	77 Å²	77	54.5 Å²	54.5	41%	0.412	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-69.6	-21.3	177.2	-63	-39.3	0	0	0	113.5	S208 I209 S271	S208-D211 PolarHBondContact O-N 2.93Å; I209-D211 PolarHBondContact O-N 3.41Å; D211-S271 WeakPolarHBondContact OD1-CB 3.36Å; D211-S271 PolarHBondContact OD1-OG 2.91Å; D211-S271 PolarHBondContact OD2-OG 3.43Å
212	H	95.5	Very high	91.7	Very high	114 Å²	114	52.7 Å²	52.7	53%	0.528	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-99.2	-13.6	-176.9	-61.3	84.9	0	0	0	113.8	S208 I209 A210	S208-H212 PolarHBondContact O-ND1 2.82Å; I209-H212 WeakPolarHBondContact O-CA 2.89Å; I209-H212 WeakPolarHBondContact O-CB 3.43Å; I209-H212 PolarHBondContact O-N 3.02Å; A210-H212 VanDerWaalsContact C-N 3.25Å; A210-H212 PolarHBondContact O-N 3.49Å
213	V	97.1	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.			trans	-123.8	35.8	-174.5	-57.4	0	0	0	0	112.2	N106 L111 I209 L215 Q218 K220 L275	N106-V213 HydrophobicContact CB-CB 4.28Å; N106-V213 WeakPolarHBondContact CB-O 3.05Å; N106-V213 PolarHBondContact ND2-O 2.9Å; L111-V213 HydrophobicContact CD1-CG2 3.64Å; I209-V213 HydrophobicContact CG2-CG1 3.89Å; I209-V213 HydrophobicContact CG2-CG2 3.97Å; I209-V213 WeakPolarHBondContact O-CG2 3.33Å; I209-V213 PolarHBondContact O-N 3.41Å; V213-L215 VanDerWaalsContact C-N 3.28Å; V213-L215 PolarHBondContact O-N 3.05Å; V213-Q218 HydrophobicContact CB-CB 4.19Å; V213-Q218 HydrophobicContact CG1-CB 4.48Å; V213-K220 HydrophobicContact CG1-CB 3.92Å; V213-L275 HydrophobicContact CG2-CD2 4.15Å; V213-L275 VanDerWaalsContact O-CD2 3.24Å; V213-L275 WeakPolarHBondContact O-CD2 3.4Å
214	Q	97.5	Very high	92.5	Very high	53 Å²	53	56.9 Å²	56.9	25%	0.248	30%	0.298	C	S	.	.			trans	-61	-30	-172.6	-67.4	-173.8	-18.7	0	0	115	N106 A210 L275 R276 W281	N106-Q214 PolarHBondContact ND2-O 3.21Å; A210-Q214 WeakPolarHBondContact O-CG 3.37Å; Q214-L275 CarbonylContact O-C 3.52Å; Q214-R276 WeakPolarHBondContact O-CB 3.48Å; Q214-R276 PolarHBondContact O-N 3.34Å; Q214-W281 HydrophobicContact CB-CZ3 4.18Å; Q214-W281 VanDerWaalsContact OE1-CZ3 3.32Å
215	L	97.9	Very high	92.6	Very high	37 Å²	37	51.9 Å²	51.9	19%	0.194	28%	0.275	C	S	.	.	S	Bend	trans	-107.9	149.5	-176.6	-57.3	177.3	0	0	0	111.5	N106 V213 G217 Q218 R276 W281	N106-L215 VanDerWaalsContact ND2-C 3.33Å; N106-L215 PolarHBondContact ND2-O 3.17Å; V213-L215 VanDerWaalsContact C-N 3.28Å; V213-L215 PolarHBondContact O-N 3.05Å; L215-G217 PolarHBondContact O-N 3.18Å; L215-Q218 HydrophobicContact CB-CG 4.11Å; L215-Q218 VanDerWaalsContact O-CB 3.27Å; L215-Q218 WeakPolarHBondContact O-CB 3.41Å; L215-Q218 WeakPolarHBondContact O-CG 3.41Å; L215-Q218 PolarHBondContact O-N 3.27Å; L215-R276 HydrophobicContact CD2-CB 3.96Å; L215-R276 HydrophobicContact CD2-CG 3.82Å; L215-W281 HydrophobicContact CD2-CE3 4.05Å
216	K	96.3	Very high	92.9	Very high	68 Å²	68	52.7 Å²	52.7	30%	0.296	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	135	175.8	175.1	173.3	180	153.5	0	110.9	T107 Q218 I277 S278	T107-K216 WeakPolarHBondContact O-CD 3.38Å; T107-K216 WeakPolarHBondContact O-CE 3.49Å; T107-K216 WeakPolarHBondContact O-CG 3.16Å; T107-K216 PolarHBondContact O-NZ 2.7Å; K216-Q218 VanDerWaalsContact C-N 3.27Å; K216-I277 VanDerWaalsContact CD-O 3.29Å; K216-I277 WeakPolarHBondContact CD-O 3.21Å; K216-S278 VanDerWaalsContact CB-C 3.41Å; K216-S278 PolarHBondContact N-O 2.83Å
217	G	95.1	Very high	93.1	Very high	52 Å²	52	52.6 Å²	52.6	54%	0.536	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-11.5	-179.2	0	0	0	0	0	113.9	N106 L215	N106-G217 PolarHBondContact O-N 3.44Å; L215-G217 PolarHBondContact O-N 3.18Å
218	Q	97.8	Very high	93.1	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	30%	0.3	S	S	.	.			trans	-71.9	145.4	170.6	-65.8	-176.4	-37.9	0	0	110.6	N106 V213 L215 K216	N106-Q218 PolarHBondContact N-O 2.9Å; V213-Q218 HydrophobicContact CB-CB 4.19Å; V213-Q218 HydrophobicContact CG1-CB 4.48Å; L215-Q218 HydrophobicContact CB-CG 4.11Å; L215-Q218 VanDerWaalsContact O-CB 3.27Å; L215-Q218 WeakPolarHBondContact O-CB 3.41Å; L215-Q218 WeakPolarHBondContact O-CG 3.41Å; L215-Q218 PolarHBondContact O-N 3.27Å; K216-Q218 VanDerWaalsContact C-N 3.27Å
219	F	96.7	Very high	92.9	Very high	112 Å²	112	56.8 Å²	56.8	49%	0.491	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.8	178.1	65.6	-90.6	0	0	0	111.2	E103 I104 V105	E103-F219 HydrophobicContact CG-CB 3.9Å; E103-F219 HydrophobicContact CG-CD2 3.79Å; E103-F219 HydrophobicContact CG-CG 4.15Å; E103-F219 VanDerWaalsContact OE2-CD2 3.31Å; E103-F219 WeakPolarHBondContact OE2-CD2 3.26Å; I104-F219 CarbonylContact O-C 3.56Å; I104-F219 WeakPolarHBondContact O-CA 3.24Å; I104-F219 WeakPolarHBondContact O-CB 3.46Å; V105-F219 HydrophobicContact CB-CB 4.27Å; V105-F219 HydrophobicContact CG1-CB 4.31Å; V105-F219 HydrophobicContact CG2-CB 3.8Å
220	K	95.9	Very high	92.8	Very high	91 Å²	91	56.9 Å²	56.9	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.2	173.3	-176.8	67	177.5	-173	0	109.2	I104 I209 V213	I104-K220 PolarHBondContact N-O 2.86Å; I104-K220 PolarHBondContact O-N 3.04Å; I209-K220 HydrophobicContact CG1-CG 4.29Å; I209-K220 HydrophobicContact CG2-CB 3.7Å; I209-K220 HydrophobicContact CG2-CG 4.28Å; V213-K220 HydrophobicContact CG1-CB 3.92Å
221	K	94.4	Very high	92.9	Very high	99 Å²	99	57.3 Å²	57.3	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.4	173.5	-61.8	-175.7	177	-179.3	0	110.2	V102 E103 L116	V102-K221 CarbonylContact O-C 3.55Å; V102-K221 VanDerWaalsContact O-CA 3.31Å; V102-K221 WeakPolarHBondContact O-CA 3.45Å; E103-K221 HydrophobicContact CB-CG 4.35Å; E103-K221 HydrophobicContact CG-CG 4.29Å; E103-K221 VanDerWaalsContact OE2-CE 3.27Å; E103-K221 WeakPolarHBondContact OE2-CE 3.29Å; L116-K221 HydrophobicContact CD1-CB 4.5Å; L116-K221 HydrophobicContact CD1-CD 3.83Å; L116-K221 HydrophobicContact CD1-CG 4.01Å
222	L	90.1	Very high	92.8	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.183	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.6	164.4	-69.9	-175.9	0	0	0	108.8	D101 V102 I104 I206 I209 L225	D101-L222 WeakPolarHBondContact CA-O 3.43Å; V102-L222 HydrophobicContact CG2-CB 3.83Å; V102-L222 HydrophobicContact CG2-CD1 4.38Å; V102-L222 PolarHBondContact N-O 2.94Å; V102-L222 PolarHBondContact O-N 2.79Å; I104-L222 HydrophobicContact CD1-CD1 4.4Å; I206-L222 HydrophobicContact CG1-CD1 4.36Å; I209-L222 HydrophobicContact CD1-CD1 3.37Å; I209-L222 HydrophobicContact CD1-CD2 3.77Å; I209-L222 HydrophobicContact CD1-CG 3.41Å; I209-L222 VanDerWaalsContact CD1-CG 3.41Å; I209-L222 HydrophobicContact CG1-CD2 4.36Å; I209-L222 HydrophobicContact CG1-CG 4.47Å; L222-L225 HydrophobicContact CD1-CD1 4.32Å
223	H	90.9	Very high	92.7	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.597	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.6	176.3	-61.3	-77.2	0	0	0	109.8	D101 L225	D101-H223 WeakPolarHBondContact OD1-CA 3.43Å; D101-H223 WeakPolarHBondContact OD1-CB 3.45Å; D101-H223 IonicContact OD1-CG 3.85Å; D101-H223 IonicContact OD1-ND1 3.42Å; D101-H223 PolarHBondContact OD1-ND1 2.97Å; D101-H223 IonicContact OD2-CE1 3.59Å; D101-H223 IonicContact OD2-CG 3.9Å; D101-H223 IonicContact OD2-ND1 2.8Å; D101-H223 PolarHBondContact OD2-ND1 2.9Å; H223-L225 PolarHBondContact O-N 2.52Å
224	G	88.9	Confident	92.5	Very high	27 Å²	27	53 Å²	53	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.7	30.1	172.6	0	0	0	0	0	115.9	I100 D101	I100-G224 PolarHBondContact O-N 3.36Å; D101-G224 PolarHBondContact OD1-N 3.42Å; D101-G224 VanDerWaalsContact OD1-N 3.08Å
225	L	89.2	Confident	92.4	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.8	177.9	-171.8	71.4	0	0	0	110.5	Q99 I100 V102 M113 I206 L222 H223 L227 I230	Q99-L225 WeakPolarHBondContact CA-O 3.24Å; I100-L225 HydrophobicContact CG1-CB 4.17Å; I100-L225 WeakPolarHBondContact CG1-O 3.34Å; I100-L225 PolarHBondContact N-O 2.86Å; I100-L225 WeakPolarHBondContact O-CB 3.48Å; I100-L225 PolarHBondContact O-N 3.27Å; V102-L225 HydrophobicContact CG1-CD2 4.25Å; V102-L225 HydrophobicContact CG2-CD2 3.88Å; M113-L225 HydrophobicContact CE-CD2 4.1Å; M113-L225 HydrophobicContact SD-CD2 4.22Å; I206-L225 HydrophobicContact CD1-CD1 4.13Å; I206-L225 HydrophobicContact CD1-CD2 4.25Å; I206-L225 HydrophobicContact CG1-CD1 4.12Å; I206-L225 HydrophobicContact CG1-CD2 4.5Å; L222-L225 HydrophobicContact CD1-CD1 4.32Å; H223-L225 PolarHBondContact O-N 2.52Å; L225-L227 HydrophobicContact CD2-CD2 4.36Å; L225-I230 HydrophobicContact CD1-CD1 3.93Å; L225-I230 HydrophobicContact CD2-CD1 3.81Å; L225-I230 HydrophobicContact CG-CD1 3.87Å
226	L	89.7	Confident	92.3	Very high	59 Å²	59	55.4 Å²	55.4	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.4	171.3	-70.2	171.6	0	0	0	109.9	D97 Q99 D228 A229	D97-L226 VanDerWaalsContact O-CD2 3.28Å; D97-L226 WeakPolarHBondContact O-CD2 3.48Å; Q99-L226 HydrophobicContact CG-CD2 3.8Å; Q99-L226 HydrophobicContact CG-CG 4.24Å; L226-D228 VanDerWaalsContact C-N 3.31Å; L226-A229 PolarHBondContact O-N 2.89Å
227	L	89.7	Confident	92.4	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-72	-26.8	177.7	-70.1	-169.7	0	0	0	113.1	L96 I100 I122 L135 L165 L225 A229 I230 I231	L96-L227 HydrophobicContact CD2-CB 3.64Å; I100-L227 HydrophobicContact CD1-CD1 4.17Å; I100-L227 HydrophobicContact CD1-CD2 4Å; I100-L227 HydrophobicContact CD1-CG 3.9Å; I122-L227 HydrophobicContact CD1-CD1 3.59Å; I122-L227 HydrophobicContact CD1-CG 4.34Å; I122-L227 HydrophobicContact CG2-CD1 4.43Å; L135-L227 HydrophobicContact CD2-CD1 3.43Å; L135-L227 VanDerWaalsContact CD2-CD1 3.43Å; L165-L227 HydrophobicContact CD2-CD1 4.39Å; L225-L227 HydrophobicContact CD2-CD2 4.36Å; L227-A229 PolarHBondContact O-N 3.02Å; L227-A229 VanDerWaalsContact O-N 3.14Å; L227-I230 HydrophobicContact CD2-CD1 3.92Å; L227-I230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CB-CD1 4.22Å; L227-I231 HydrophobicContact CD1-CD1 4.5Å; L227-I231 WeakPolarHBondContact O-CG1 3.17Å; L227-I231 PolarHBondContact O-N 2.78Å
228	D	88	Confident	92.5	Very high	108 Å²	108	50.3 Å²	50.3	58%	0.578	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31.2	175.3	-164	50.8	0	0	0	112.7	L96 L226 I230	L96-D228 HydrophobicContact CB-CB 4.06Å; L96-D228 PolarHBondContact O-N 2.93Å; L226-D228 VanDerWaalsContact C-N 3.31Å; D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.04Å
229	A	84.2	Confident	92.6	Very high	35 Å²	35	46.7 Å²	46.7	29%	0.289	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-81	-10.8	180	0	0	0	0	0	114.5	D202 L226 L227	D202-A229 HydrophobicContact CB-CB 3.5Å; D202-A229 VanDerWaalsContact CB-CB 3.5Å; D202-A229 VanDerWaalsContact OD2-CB 3.32Å; D202-A229 WeakPolarHBondContact OD2-CB 3.37Å; L226-A229 PolarHBondContact O-N 2.89Å; L227-A229 PolarHBondContact O-N 3.02Å; L227-A229 VanDerWaalsContact O-N 3.14Å
230	I	88.2	Confident	92.6	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-35.1	-174.7	-59.6	154.2	0	0	0	110.6	L163 L203 I206 L225 L227 D228 P232 V262	L163-I230 HydrophobicContact CD2-CG2 3.52Å; L203-I230 HydrophobicContact CD2-CG2 4Å; I206-I230 HydrophobicContact CD1-CD1 3.16Å; I206-I230 HydrophobicContact CD1-CG1 3.52Å; I206-I230 HydrophobicContact CD1-CG2 4.27Å; I206-I230 HydrophobicContact CG1-CD1 4.46Å; L225-I230 HydrophobicContact CD1-CD1 3.93Å; L225-I230 HydrophobicContact CD2-CD1 3.81Å; L225-I230 HydrophobicContact CG-CD1 3.87Å; L227-I230 HydrophobicContact CD2-CD1 3.92Å; L227-I230 PolarHBondContact O-N 3.49Å; D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.04Å; I230-P232 WeakPolarHBondContact O-CD 3.47Å; I230-V262 WeakPolarHBondContact O-CG1 3.42Å
231	I	93	Very high	92.7	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.056	22%	0.223	C	C	.	.	S	Bend	trans	-88.7	116.6	-177.7	-58.8	-176.4	0	0	0	108.3	I93 L96 L165 L189 I191 L227 T234 L258	I93-I231 HydrophobicContact CD1-CD1 4.07Å; I93-I231 HydrophobicContact CD1-CG2 4.17Å; L96-I231 HydrophobicContact CD2-CD1 3.71Å; L165-I231 HydrophobicContact CD2-CD1 3.6Å; L165-I231 HydrophobicContact CD2-CG1 4.21Å; L189-I231 HydrophobicContact CD2-CD1 4.05Å; L189-I231 HydrophobicContact CD2-CG2 3.86Å; I191-I231 HydrophobicContact CD1-CB 4.43Å; I191-I231 HydrophobicContact CD1-CG1 4.12Å; I191-I231 HydrophobicContact CD1-CG2 4.35Å; L227-I231 HydrophobicContact CB-CD1 4.22Å; L227-I231 HydrophobicContact CD1-CD1 4.5Å; L227-I231 WeakPolarHBondContact O-CG1 3.17Å; L227-I231 PolarHBondContact O-N 2.78Å; I231-T234 HydrophobicContact CG2-CG2 3.86Å; I231-L258 HydrophobicContact CG2-CD1 4.01Å
232	P	92.5	Very high	92.9	Very high	22 Å²	22	36.2 Å²	36.2	14%	0.143	20%	0.203	C	C	.	.			trans	-73.5	-173.7	175.6	33.2	-34.5	0	0	0	110.6	I191 I230 T234 L258 Q260 V262	I191-P232 HydrophobicContact CG2-CG 3.84Å; I230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-T234 PolarHBondContact O-N 2.97Å; P232-L258 HydrophobicContact CG-CD1 3.83Å; P232-Q260 HydrophobicContact CB-CB 3.99Å; P232-Q260 HydrophobicContact CB-CG 3.88Å; P232-Q260 HydrophobicContact CG-CB 4.4Å; P232-Q260 WeakPolarHBondContact CG-O 3.48Å; P232-V262 HydrophobicContact CB-CG1 4.39Å; P232-V262 HydrophobicContact CG-CG1 4.04Å
233	S	93.4	Very high	93.3	Very high	52 Å²	52	34.6 Å²	34.6	36%	0.364	19%	0.194	S	C	.	.			trans	-51.4	124.4	-177.8	-178.8	0	0	0	0	113	V235	S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 WeakPolarHBondContact OG-CG2 3.38Å; S233-V235 PolarHBondContact OG-N 2.82Å
234	T	94	Very high	93.6	Very high	27 Å²	27	28.5 Å²	28.5	17%	0.166	17%	0.166	C	C	.	.			trans	-90.5	4.4	176.6	62.3	0	0	0	0	113.1	I91 I93 I231 P232 L258	I91-T234 PolarHBondContact N-O 3.43Å; I91-T234 PolarHBondContact O-OG1 3.46Å; I93-T234 HydrophobicContact CD1-CG2 3.75Å; I93-T234 HydrophobicContact CG1-CG2 4.39Å; I231-T234 HydrophobicContact CG2-CG2 3.86Å; P232-T234 PolarHBondContact O-N 2.97Å; T234-L258 HydrophobicContact CG2-CD1 4.33Å
235	V	94.6	Very high	93.9	Very high	62 Å²	62	27.2 Å²	27.2	38%	0.376	15%	0.153	S	C	.	.	S	Bend	trans	-68.8	-42.9	-176.4	178.3	0	0	0	0	111.3	P90 S233 N304	P90-V235 HydrophobicContact CG-CG1 4.3Å; S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 WeakPolarHBondContact OG-CG2 3.38Å; S233-V235 PolarHBondContact OG-N 2.82Å; V235-N304 PolarHBondContact O-ND2 2.97Å
236	H	96.7	Very high	94.2	Very high	78 Å²	78	27 Å²	27	36%	0.361	15%	0.151	S	C	.	.	S	Bend	trans	-120.3	128.2	-174.4	-68.7	-56.8	0	0	0	111.6	N259 N304 I305	H236-N259 HydrophobicContact CB-CB 3.94Å; H236-N259 WeakPolarHBondContact O-CB 3.44Å; H236-N259 PolarHBondContact O-N 2.97Å; H236-N304 WeakPolarHBondContact CA-OD1 3.34Å; H236-I305 HydrophobicContact CB-CG1 3.89Å
237	Y	97.6	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	167	-175.3	61.4	-90.8	0	0	0	112.7	L88 E89 I91 G127 P128 T239 I256 I257 T303 N304	L88-Y237 WeakPolarHBondContact CB-OH 3.31Å; L88-Y237 HydrophobicContact CD1-CE2 4.29Å; L88-Y237 HydrophobicContact CD2-CE2 4.48Å; E89-Y237 WeakPolarHBondContact O-CE1 3.46Å; E89-Y237 PolarHBondContact O-OH 3Å; I91-Y237 HydrophobicContact CD1-CD1 3.6Å; I91-Y237 HydrophobicContact CD1-CD2 4.07Å; I91-Y237 HydrophobicContact CD1-CE1 3.6Å; I91-Y237 HydrophobicContact CD1-CE2 4.08Å; I91-Y237 HydrophobicContact CD1-CG 3.86Å; I91-Y237 HydrophobicContact CG1-CD1 4.07Å; I91-Y237 HydrophobicContact CG1-CE1 3.62Å; G127-Y237 VanDerWaalsContact C-OH 3.31Å; G127-Y237 WeakPolarHBondContact CA-OH 3.1Å; P128-Y237 HydrophobicContact CB-CE2 4.45Å; P128-Y237 WeakPolarHBondContact CD-OH 3.47Å; P128-Y237 HydrophobicContact CG-CE2 3.92Å; Y237-T239 HydrophobicContact CD2-CG2 4.5Å; Y237-T239 HydrophobicContact CE2-CG2 4.08Å; Y237-I256 HydrophobicContact CD2-CG2 3.97Å; Y237-I256 HydrophobicContact CG-CG2 4.02Å; Y237-I257 CarbonylContact C-O 3.56Å; Y237-I257 VanDerWaalsContact CA-O 3.26Å; Y237-I257 WeakPolarHBondContact CA-O 3.29Å; Y237-I257 VanDerWaalsContact CB-O 3.32Å; Y237-I257 WeakPolarHBondContact CB-O 3.4Å; Y237-T303 WeakPolarHBondContact O-CA 3.33Å; Y237-T303 WeakPolarHBondContact O-CB 3.14Å; Y237-T303 PolarHBondContact O-OG1 2.76Å; Y237-N304 PolarHBondContact N-OD1 3.34Å; Y237-N304 VanDerWaalsContact N-OD1 3.12Å
238	M	97.9	Very high	94.3	Very high	12 Å²	12	24 Å²	24	6%	0.059	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.5	168.3	-65.4	166.4	-80.6	0	0	108.8	I77 L82 I154 I257 V301 R302 I305	I77-M238 HydrophobicContact CD1-SD 4.23Å; I77-M238 HydrophobicContact CG2-SD 3.81Å; L82-M238 HydrophobicContact CD1-CG 4.26Å; L82-M238 HydrophobicContact CD1-SD 3.93Å; L82-M238 HydrophobicContact CD2-CG 4.03Å; L82-M238 HydrophobicContact CD2-SD 4.06Å; I154-M238 HydrophobicContact CD1-CE 3.8Å; I154-M238 HydrophobicContact CD1-SD 4.27Å; M238-I257 HydrophobicContact CB-CB 4.46Å; M238-I257 HydrophobicContact CE-CG2 4.17Å; M238-I257 PolarHBondContact N-O 2.73Å; M238-I257 PolarHBondContact O-N 2.89Å; M238-V301 HydrophobicContact CB-CG1 4.11Å; M238-R302 CarbonylContact C-O 3.08Å; M238-R302 WeakPolarHBondContact CA-O 3.3Å; M238-I305 HydrophobicContact CG-CD1 4.43Å
239	T	98.3	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.1	-176.6	-173.9	0	0	0	0	112.8	L88 P128 Y237 W255 R302	L88-T239 HydrophobicContact CD1-CG2 3.8Å; L88-T239 HydrophobicContact CD2-CG2 4.25Å; P128-T239 HydrophobicContact CB-CG2 3.85Å; P128-T239 WeakPolarHBondContact CB-OG1 3.31Å; P128-T239 HydrophobicContact CG-CG2 4.35Å; Y237-T239 HydrophobicContact CD2-CG2 4.5Å; Y237-T239 HydrophobicContact CE2-CG2 4.08Å; T239-W255 WeakPolarHBondContact CA-O 3.37Å; T239-W255 WeakPolarHBondContact CB-O 3.29Å; T239-W255 PolarHBondContact OG1-O 2.93Å; T239-R302 HydrophobicContact CG2-CB 3.97Å; T239-R302 PolarHBondContact N-O 2.81Å; T239-R302 PolarHBondContact O-N 2.76Å
240	Y	98.3	Very high	95.2	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.02	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	156.7	174.7	75.1	-79.9	0	0	0	111.2	S73 I75 H152 W255 I257	S73-Y240 WeakPolarHBondContact CB-OH 3.17Å; S73-Y240 WeakPolarHBondContact OG-CE2 3.32Å; S73-Y240 PolarHBondContact OG-OH 3.48Å; I75-Y240 HydrophobicContact CD1-CD1 3.72Å; I75-Y240 HydrophobicContact CD1-CD2 3.8Å; I75-Y240 HydrophobicContact CD1-CE1 3.77Å; I75-Y240 HydrophobicContact CD1-CE2 3.85Å; I75-Y240 HydrophobicContact CD1-CG 3.76Å; I75-Y240 HydrophobicContact CG1-CD1 4.3Å; I75-Y240 HydrophobicContact CG1-CD2 4.45Å; I75-Y240 HydrophobicContact CG1-CE1 3.81Å; I75-Y240 HydrophobicContact CG1-CE2 3.99Å; I75-Y240 HydrophobicContact CG2-CE2 4.17Å; H152-Y240 AromaticContact NE2-CE1 3.62Å; H152-Y240 AromaticContact NE2-CZ 3.58Å; H152-Y240 PolarHBondContact NE2-OH 2.97Å; Y240-W255 HydrophobicContact CD1-CB 3.7Å; Y240-W255 HydrophobicContact CD1-CG 4.39Å; Y240-W255 HydrophobicContact CE1-CB 3.37Å; Y240-W255 AromaticContact CE1-CD1 3.87Å; Y240-W255 AromaticContact CE1-CG 3.66Å; Y240-W255 HydrophobicContact CE1-CG 3.66Å; Y240-W255 AromaticContact CE2-CD1 3.76Å; Y240-W255 HydrophobicContact CE2-CG 4.37Å; Y240-W255 HydrophobicContact CG-CB 4.42Å; Y240-W255 AromaticContact CZ-CD1 3.35Å; Y240-W255 AromaticContact CZ-CG 3.62Å; Y240-W255 PolarHBondContact N-O 3.23Å; Y240-W255 PolarHBondContact O-N 3.31Å; Y240-W255 VanDerWaalsContact OH-CD1 3.27Å; Y240-W255 PolarHBondContact OH-NE1 3.23Å; Y240-I257 HydrophobicContact CD1-CD1 4.48Å; Y240-I257 HydrophobicContact CE1-CD1 3.98Å
241	Q	98	Very high	95.6	Very high	77 Å²	77	21.9 Å²	21.9	36%	0.36	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.5	171.9	-66.2	-60.2	-37.1	0	0	110.1	T254 R299	Q241-T254 PolarHBondContact NE2-OG1 3.32Å; Q241-T254 PolarHBondContact OE1-OG1 2.81Å; Q241-R299 WeakPolarHBondContact O-CD 3.12Å; Q241-R299 PolarHBondContact O-NH1 3.27Å
242	G	98	Very high	95.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-160.8	-170.2	0	0	0	0	0	114.7	M71 S73 E251 T252 V253	M71-G242 CarbonylContact O-C 3.23Å; M71-G242 VanDerWaalsContact O-C 3.23Å; M71-G242 WeakPolarHBondContact O-CA 3.44Å; S73-G242 WeakPolarHBondContact OG-CA 3.44Å; G242-E251 CarbonylContact O-C 3.54Å; G242-E251 VanDerWaalsContact O-C 3.24Å; G242-E251 WeakPolarHBondContact O-CA 3.25Å; G242-T252 PolarHBondContact O-N 3.49Å; G242-V253 PolarHBondContact N-O 3.32Å; G242-V253 PolarHBondContact O-N 3.07Å; G242-V253 VanDerWaalsContact O-N 3.07Å
243	S	97.8	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.			trans	-122.4	171.1	-176.1	79.8	0	0	0	0	113.3	M71 Q72 S73 C249 Y250 W255	M71-S243 PolarHBondContact O-N 2.92Å; Q72-S243 WeakPolarHBondContact CA-OG 3.39Å; S73-S243 VanDerWaalsContact CB-O 3.25Å; S73-S243 WeakPolarHBondContact CB-O 3.32Å; S73-S243 PolarHBondContact N-OG 3.46Å; S73-S243 PolarHBondContact OG-N 2.88Å; S243-C249 WeakPolarHBondContact CB-O 3.28Å; S243-Y250 CarbonylContact C-O 3.5Å; S243-Y250 WeakPolarHBondContact CA-O 3.2Å; S243-Y250 VanDerWaalsContact CB-O 3.28Å; S243-Y250 WeakPolarHBondContact CB-O 3.48Å; S243-W255 PolarHBondContact O-NE1 2.92Å
244	L	97.3	Very high	96.3	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.092	C	C	.	.			trans	-61.7	138.9	160.3	-62.9	168.9	0	0	0	110	Y166 L180 L186 F246 Y250 V253 R291	Y166-L244 HydrophobicContact CD1-CD2 4.43Å; Y166-L244 HydrophobicContact CE1-CD2 3.86Å; L180-L244 HydrophobicContact CD2-CD1 3.4Å; L180-L244 VanDerWaalsContact CD2-CD1 3.4Å; L180-L244 HydrophobicContact CD2-CD2 4.07Å; L180-L244 HydrophobicContact CD2-CG 4.32Å; L186-L244 HydrophobicContact CD1-CD2 3.57Å; L186-L244 HydrophobicContact CD1-CG 4.35Å; L244-F246 HydrophobicContact CB-CD2 4.33Å; L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.41Å; L244-F246 HydrophobicContact CD1-CE2 4.02Å; L244-F246 HydrophobicContact CD2-CE1 4.23Å; L244-F246 HydrophobicContact CD2-CE2 4.03Å; L244-F246 HydrophobicContact CD2-CZ 3.66Å; L244-F246 HydrophobicContact CG-CE2 4.33Å; L244-F246 HydrophobicContact CG-CZ 4.41Å; L244-F246 PolarHBondContact O-N 3.07Å; L244-Y250 HydrophobicContact CD1-CD2 4.12Å; L244-Y250 PolarHBondContact N-O 2.9Å; L244-V253 HydrophobicContact CD2-CG2 3.91Å; L244-V253 HydrophobicContact CG-CG2 4.14Å; L244-R291 PolarHBondContact O-NH1 3.09Å
245	P	96.3	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-88.8	23.1	174.7	36.6	-30.7	0	0	0	111.6	Y39 Y166 W255 R291	Y39-P245 WeakPolarHBondContact CE1-O 3.46Å; Y39-P245 PolarHBondContact OH-O 2.93Å; Y166-P245 WeakPolarHBondContact OH-CD 3.29Å; P245-W255 HydrophobicContact CG-CH2 4.19Å; P245-W255 HydrophobicContact CG-CZ2 4.1Å; P245-R291 HydrophobicContact CB-CB 4.32Å
246	F	94.3	Very high	96.7	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.026	7%	0.067	C	C	.	.	S	Bend	trans	-145.9	159.9	175.8	45.8	-95.5	0	0	0	109.5	W24 W37 Y39 I139 Y166 L244 A248 C249	W24-F246 HydrophobicContact CE3-CZ 4.2Å; W37-F246 HydrophobicContact CH2-CB 3.84Å; W37-F246 HydrophobicContact CZ3-CB 4.1Å; Y39-F246 WeakPolarHBondContact OH-CB 3.49Å; I139-F246 HydrophobicContact CD1-CD1 4.2Å; I139-F246 HydrophobicContact CD1-CE1 3.56Å; I139-F246 HydrophobicContact CD1-CZ 4.18Å; Y166-F246 AromaticContact CE1-CE1 3.96Å; Y166-F246 HydrophobicContact CE1-CE1 3.96Å; Y166-F246 HydrophobicContact CE1-CZ 4.11Å; Y166-F246 AromaticContact CZ-CE1 3.76Å; Y166-F246 WeakPolarHBondContact OH-CE1 3.33Å; L244-F246 HydrophobicContact CB-CD2 4.33Å; L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.41Å; L244-F246 HydrophobicContact CD1-CE2 4.02Å; L244-F246 HydrophobicContact CD2-CE1 4.23Å; L244-F246 HydrophobicContact CD2-CE2 4.03Å; L244-F246 HydrophobicContact CD2-CZ 3.66Å; L244-F246 HydrophobicContact CG-CE2 4.33Å; L244-F246 HydrophobicContact CG-CZ 4.41Å; L244-F246 PolarHBondContact O-N 3.07Å; F246-A248 PolarHBondContact O-N 2.76Å; F246-C249 WeakPolarHBondContact O-CA 3.3Å; F246-C249 PolarHBondContact O-N 2.91Å
247	P	91	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.3	175.8	-30	40.2	0	0	0	112.4	Q25 W29 W37 W50 W63	Q25-P247 PolarHBondContact OE1-O 3.05Å; W29-P247 HydrophobicContact CH2-CB 3.9Å; W29-P247 HydrophobicContact CZ3-CB 4.33Å; W37-P247 HydrophobicContact CB-CG 4.11Å; W37-P247 HydrophobicContact CD2-CG 3.75Å; W37-P247 HydrophobicContact CE3-CG 4Å; W37-P247 HydrophobicContact CG-CG 3.8Å; W50-P247 HydrophobicContact CD2-CG 3.6Å; W50-P247 HydrophobicContact CE3-CG 3.88Å; W50-P247 HydrophobicContact CG-CG 3.98Å; W50-P247 HydrophobicContact CH2-CG 4.47Å; W50-P247 HydrophobicContact CZ2-CG 4.24Å; W50-P247 HydrophobicContact CZ3-CG 4.3Å; W63-P247 HydrophobicContact CD2-CB 3.62Å; W63-P247 HydrophobicContact CD2-CG 4.31Å; W63-P247 HydrophobicContact CE3-CB 3.83Å; W63-P247 HydrophobicContact CE3-CG 4Å; W63-P247 HydrophobicContact CG-CB 4.15Å; W63-P247 HydrophobicContact CH2-CB 4.04Å; W63-P247 HydrophobicContact CH2-CG 4.13Å; W63-P247 HydrophobicContact CZ2-CB 3.79Å; W63-P247 HydrophobicContact CZ2-CG 4.38Å; W63-P247 HydrophobicContact CZ3-CB 4.05Å; W63-P247 HydrophobicContact CZ3-CG 3.92Å
248	A	91.4	Very high	96.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.7	17.9	12.6	0	0	0	0	0	116.2	W29 W63 C66 F246 Y250	W29-A248 HydrophobicContact CZ3-CB 4.37Å; W63-A248 HydrophobicContact CB-CB 4.13Å; W63-A248 HydrophobicContact CG-CB 3.95Å; C66-A248 VanDerWaalsContact SG-C 3.54Å; F246-A248 PolarHBondContact O-N 2.76Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 HydrophobicContact CB-CD2 4.16Å; A248-Y250 HydrophobicContact CB-CE1 4.21Å; A248-Y250 HydrophobicContact CB-CE2 3.65Å; A248-Y250 PolarHBondContact O-N 3.17Å
249	C	94.4	Very high	96.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.			trans	58.1	35.1	178.8	-41.5	0	0	0	0	115.5	A65 C66 Q72 S243 F246 E251 R291	A65-C249 WeakPolarHBondContact CB-O 3.09Å; C66-C249 VanDerWaalsContact CA-SG 3.54Å; C66-C249 HydrophobicContact CB-CB 3.79Å; C66-C249 WeakPolarHBondContact CB-SG 3.43Å; C66-C249 WeakPolarHBondContact SG-CB 3.5Å; C66-C249 CovalentContact SG-SG 2.03Å; C66-C249 PolarHBondContact SG-SG 2.71Å; Q72-C249 PolarHBondContact NE2-O 2.77Å; S243-C249 WeakPolarHBondContact CB-O 3.28Å; F246-C249 WeakPolarHBondContact O-CA 3.3Å; F246-C249 PolarHBondContact O-N 2.91Å; C249-E251 PolarHBondContact O-N 3.04Å; C249-R291 PolarHBondContact SG-NH2 3.2Å; C249-R291 VanDerWaalsContact SG-NH2 3.44Å
250	Y	95.6	Very high	96.5	Very high	50 Å²	50	16.1 Å²	16.1	20%	0.196	8%	0.076	C	C	.	.			trans	-58.1	131.1	179	-69.7	-54.4	0	0	0	112.5	E26 L180 S243 L244 A248 T252	E26-Y250 HydrophobicContact CB-CE2 4.39Å; E26-Y250 HydrophobicContact CG-CE2 4.2Å; E26-Y250 PolarHBondContact OE1-OH 3.1Å; E26-Y250 WeakPolarHBondContact OE2-CE2 3.34Å; E26-Y250 PolarHBondContact OE2-OH 3.46Å; L180-Y250 HydrophobicContact CB-CD2 4.31Å; L180-Y250 WeakPolarHBondContact O-CB 3.36Å; S243-Y250 CarbonylContact C-O 3.5Å; S243-Y250 WeakPolarHBondContact CA-O 3.2Å; S243-Y250 VanDerWaalsContact CB-O 3.28Å; S243-Y250 WeakPolarHBondContact CB-O 3.48Å; L244-Y250 HydrophobicContact CD1-CD2 4.12Å; L244-Y250 PolarHBondContact N-O 2.9Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 HydrophobicContact CB-CD2 4.16Å; A248-Y250 HydrophobicContact CB-CE1 4.21Å; A248-Y250 HydrophobicContact CB-CE2 3.65Å; A248-Y250 PolarHBondContact O-N 3.17Å; Y250-T252 PolarHBondContact O-N 2.75Å; Y250-T252 VanDerWaalsContact O-N 3.09Å
251	E	97	Very high	96.4	Very high	53 Å²	53	17.3 Å²	17.3	25%	0.248	8%	0.084	C	C	.	.	S	Bend	trans	-86.3	55.8	-177.5	-50.6	-161.7	139.6	0	0	111.7	G69 K70 M71 Q72 G242 C249	G69-E251 WeakPolarHBondContact CA-OE1 3.43Å; K70-E251 PolarHBondContact N-OE1 3.18Å; K70-E251 PolarHBondContact N-OE2 2.91Å; M71-E251 WeakPolarHBondContact CA-OE1 3.41Å; M71-E251 HydrophobicContact CB-CB 4.23Å; M71-E251 HydrophobicContact CB-CG 4.37Å; M71-E251 HydrophobicContact CE-CB 4.09Å; M71-E251 VanDerWaalsContact N-CD 3.28Å; M71-E251 PolarHBondContact N-OE1 2.97Å; M71-E251 PolarHBondContact N-OE2 3.43Å; Q72-E251 PolarHBondContact N-OE1 2.99Å; Q72-E251 PolarHBondContact NE2-OE1 2.86Å; G242-E251 CarbonylContact O-C 3.54Å; G242-E251 VanDerWaalsContact O-C 3.24Å; G242-E251 WeakPolarHBondContact O-CA 3.25Å; C249-E251 PolarHBondContact O-N 3.04Å
252	T	97.2	Very high	96.2	Very high	12 Å²	12	14.2 Å²	14.2	7%	0.074	7%	0.071	C	C	.	.			trans	-121.5	7	-169.7	56.9	0	0	0	0	113	L180 K182 G185 L186 G242 Y250	L180-T252 WeakPolarHBondContact O-CG2 3.18Å; L180-T252 PolarHBondContact O-OG1 3.35Å; K182-T252 VanDerWaalsContact O-CB 3.3Å; K182-T252 WeakPolarHBondContact O-CB 3.29Å; K182-T252 WeakPolarHBondContact O-CG2 3.23Å; G185-T252 PolarHBondContact N-O 3.42Å; L186-T252 PolarHBondContact N-O 3.18Å; G242-T252 PolarHBondContact O-N 3.49Å; Y250-T252 PolarHBondContact O-N 2.75Å; Y250-T252 VanDerWaalsContact O-N 3.09Å
253	V	98.4	Very high	96	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.9	-167.6	-179.5	0	0	0	0	110.6	L186 V188 G242 L244 W255	L186-V253 HydrophobicContact CB-CG2 4.08Å; L186-V253 HydrophobicContact CD1-CG2 3.98Å; V188-V253 HydrophobicContact CB-CG1 3.89Å; V188-V253 HydrophobicContact CG2-CG1 3.49Å; V188-V253 VanDerWaalsContact CG2-CG1 3.49Å; G242-V253 PolarHBondContact N-O 3.32Å; G242-V253 PolarHBondContact O-N 3.07Å; G242-V253 VanDerWaalsContact O-N 3.07Å; L244-V253 HydrophobicContact CD2-CG2 3.91Å; L244-V253 HydrophobicContact CG-CG2 4.14Å; V253-W255 HydrophobicContact CG1-CD2 3.93Å; V253-W255 HydrophobicContact CG1-CG 3.9Å; V253-W255 HydrophobicContact CG1-CZ2 4.37Å; V253-W255 PolarHBondContact O-N 3.37Å
254	T	98.6	Very high	95.8	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.025	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.4	158.8	-58.5	0	0	0	0	108.4	P128 L129 L186 A187 V188 Q241	P128-T254 HydrophobicContact CB-CG2 4.34Å; P128-T254 HydrophobicContact CG-CG2 4.26Å; L129-T254 HydrophobicContact CD2-CG2 3.98Å; L186-T254 PolarHBondContact O-N 2.99Å; A187-T254 WeakPolarHBondContact CA-O 3.25Å; V188-T254 PolarHBondContact N-O 3.44Å; Q241-T254 PolarHBondContact NE2-OG1 3.32Å; Q241-T254 PolarHBondContact OE1-OG1 2.81Å
255	W	98.8	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.3	175.6	-77.3	98.1	0	0	0	110.7	S73 H152 Q164 V188 T239 Y240 S243 P245 V253	S73-W255 PolarHBondContact OG-NE1 3.42Å; H152-W255 AromaticContact CE1-CD2 3.69Å; H152-W255 AromaticContact CE1-CE2 3.93Å; H152-W255 AromaticContact CE1-CE3 3.49Å; H152-W255 VanDerWaalsContact CE1-CE3 3.49Å; H152-W255 AromaticContact CE1-CH2 3.78Å; H152-W255 AromaticContact CE1-CZ2 3.97Å; H152-W255 AromaticContact CE1-CZ3 3.54Å; H152-W255 AromaticContact NE2-CD2 3.87Å; Q164-W255 HydrophobicContact CG-CH2 4.32Å; Q164-W255 HydrophobicContact CG-CZ3 4.15Å; V188-W255 HydrophobicContact CB-CD2 4.29Å; V188-W255 HydrophobicContact CB-CE3 3.78Å; V188-W255 HydrophobicContact CB-CH2 4.31Å; V188-W255 HydrophobicContact CB-CZ3 3.79Å; V188-W255 HydrophobicContact CG1-CE3 3.71Å; V188-W255 HydrophobicContact CG1-CH2 3.77Å; V188-W255 HydrophobicContact CG1-CZ3 3.23Å; T239-W255 WeakPolarHBondContact CA-O 3.37Å; T239-W255 WeakPolarHBondContact CB-O 3.29Å; T239-W255 PolarHBondContact OG1-O 2.93Å; Y240-W255 HydrophobicContact CD1-CB 3.7Å; Y240-W255 HydrophobicContact CD1-CG 4.39Å; Y240-W255 HydrophobicContact CE1-CB 3.37Å; Y240-W255 AromaticContact CE1-CD1 3.87Å; Y240-W255 AromaticContact CE1-CG 3.66Å; Y240-W255 HydrophobicContact CE1-CG 3.66Å; Y240-W255 AromaticContact CE2-CD1 3.76Å; Y240-W255 HydrophobicContact CE2-CG 4.37Å; Y240-W255 HydrophobicContact CG-CB 4.42Å; Y240-W255 AromaticContact CZ-CD1 3.35Å; Y240-W255 AromaticContact CZ-CG 3.62Å; Y240-W255 PolarHBondContact N-O 3.23Å; Y240-W255 PolarHBondContact O-N 3.31Å; Y240-W255 VanDerWaalsContact OH-CD1 3.27Å; Y240-W255 PolarHBondContact OH-NE1 3.23Å; S243-W255 PolarHBondContact O-NE1 2.92Å; P245-W255 HydrophobicContact CG-CH2 4.19Å; P245-W255 HydrophobicContact CG-CZ2 4.1Å; V253-W255 HydrophobicContact CG1-CD2 3.93Å; V253-W255 HydrophobicContact CG1-CG 3.9Å; V253-W255 HydrophobicContact CG1-CZ2 4.37Å; V253-W255 PolarHBondContact O-N 3.37Å
256	I	98.6	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.6	175	-56.8	174.3	0	0	0	106.7	I91 P128 L129 V188 L189 S190 Y237 L258	I91-I256 HydrophobicContact CD1-CB 4.14Å; I91-I256 HydrophobicContact CD1-CD1 3.59Å; I91-I256 HydrophobicContact CD1-CG1 4.11Å; I91-I256 HydrophobicContact CD1-CG2 3.08Å; I91-I256 HydrophobicContact CG1-CD1 4.44Å; P128-I256 HydrophobicContact CG-CD1 3.89Å; P128-I256 HydrophobicContact CG-CG1 3.79Å; L129-I256 HydrophobicContact CD1-CD1 4.22Å; L129-I256 HydrophobicContact CD2-CD1 4.09Å; L129-I256 HydrophobicContact CG-CD1 4.19Å; V188-I256 PolarHBondContact O-N 3.43Å; L189-I256 CarbonylContact C-O 3.5Å; L189-I256 WeakPolarHBondContact CA-O 3.33Å; L189-I256 HydrophobicContact CD1-CB 4.02Å; L189-I256 HydrophobicContact CD1-CG2 3.57Å; S190-I256 PolarHBondContact N-O 3.08Å; Y237-I256 HydrophobicContact CD2-CG2 3.97Å; Y237-I256 HydrophobicContact CG-CG2 4.02Å; I256-L258 HydrophobicContact CG2-CD2 4.38Å
257	I	98.4	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.9	-175.9	-61.4	170.5	0	0	0	107.7	I77 H152 F192 Y237 M238 Y240	I77-I257 HydrophobicContact CD1-CD1 3.33Å; H152-I257 HydrophobicContact CB-CD1 4.3Å; F192-I257 HydrophobicContact CD2-CG2 4.16Å; F192-I257 HydrophobicContact CE2-CG2 3.45Å; F192-I257 VanDerWaalsContact CE2-CG2 3.45Å; F192-I257 HydrophobicContact CZ-CG2 4.01Å; Y237-I257 CarbonylContact C-O 3.56Å; Y237-I257 VanDerWaalsContact CA-O 3.26Å; Y237-I257 WeakPolarHBondContact CA-O 3.29Å; Y237-I257 VanDerWaalsContact CB-O 3.32Å; Y237-I257 WeakPolarHBondContact CB-O 3.4Å; M238-I257 HydrophobicContact CB-CB 4.46Å; M238-I257 HydrophobicContact CE-CG2 4.17Å; M238-I257 PolarHBondContact N-O 2.73Å; M238-I257 PolarHBondContact O-N 2.89Å; Y240-I257 HydrophobicContact CD1-CD1 4.48Å; Y240-I257 HydrophobicContact CE1-CD1 3.98Å
258	L	97.7	Very high	95.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	140.1	-177.4	-64.3	-170	0	0	0	111.1	L189 S190 I191 I231 P232 T234 I256 Q260	L189-L258 HydrophobicContact CD1-CD1 4.09Å; L189-L258 HydrophobicContact CD1-CD2 3.64Å; L189-L258 HydrophobicContact CD1-CG 3.72Å; L189-L258 HydrophobicContact CD2-CD1 4.26Å; L189-L258 HydrophobicContact CG-CD1 4.29Å; L189-L258 HydrophobicContact CG-CG 4.27Å; S190-L258 PolarHBondContact O-N 2.92Å; I191-L258 HydrophobicContact CD1-CD1 4.42Å; I191-L258 HydrophobicContact CG1-CD1 4.04Å; I191-L258 HydrophobicContact CG1-CG 4.47Å; I231-L258 HydrophobicContact CG2-CD1 4.01Å; P232-L258 HydrophobicContact CG-CD1 3.83Å; T234-L258 HydrophobicContact CG2-CD1 4.33Å; I256-L258 HydrophobicContact CG2-CD2 4.38Å; L258-Q260 PolarHBondContact O-N 2.85Å
259	N	95.6	Very high	96	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.134	14%	0.143	C	C	.	.	S	Bend	trans	-71.5	-17.8	-179.6	-169.9	29.4	0	0	0	113.1	H236 I305 R320	H236-N259 HydrophobicContact CB-CB 3.94Å; H236-N259 WeakPolarHBondContact O-CB 3.44Å; H236-N259 PolarHBondContact O-N 2.97Å; N259-I305 HydrophobicContact CB-CD1 3.85Å; N259-I305 VanDerWaalsContact CG-CD1 3.47Å; N259-R320 PolarHBondContact ND2-NH1 2.98Å
260	Q	94.7	Very high	96.1	Very high	100 Å²	100	34.2 Å²	34.2	47%	0.467	17%	0.172	S	C	.	.	S	Bend	trans	-105.9	118.9	-178.2	-175.5	173.3	17.1	0	0	109.9	P232 L258	P232-Q260 HydrophobicContact CB-CB 3.99Å; P232-Q260 HydrophobicContact CB-CG 3.88Å; P232-Q260 HydrophobicContact CG-CB 4.4Å; P232-Q260 WeakPolarHBondContact CG-O 3.48Å; L258-Q260 PolarHBondContact O-N 2.85Å
261	P	95.2	Very high	96.1	Very high	31 Å²	31	32.6 Å²	32.6	20%	0.201	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-76.5	158	172.4	32.3	-34.5	0	0	0	111.2	F192 Q194	F192-P261 HydrophobicContact CB-CB 4.12Å; F192-P261 CarbonylContact O-C 3.57Å; F192-P261 WeakPolarHBondContact O-CA 3.17Å; F192-P261 VanDerWaalsContact O-CB 3.29Å; F192-P261 WeakPolarHBondContact O-CB 3.49Å; Q194-P261 HydrophobicContact CB-CB 4.16Å; Q194-P261 HydrophobicContact CB-CG 4.34Å
262	V	94.4	Very high	96.1	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	150.6	167.8	-66.3	0	0	0	0	111	I191 F192 C193 Q194 L203 I230 P232	I191-V262 HydrophobicContact CG2-CB 4.42Å; I191-V262 HydrophobicContact CG2-CG1 3.74Å; I191-V262 HydrophobicContact CG2-CG2 4.03Å; F192-V262 PolarHBondContact O-N 3.44Å; C193-V262 CarbonylContact C-O 3.53Å; C193-V262 WeakPolarHBondContact CA-O 3.36Å; C193-V262 HydrophobicContact CB-CG2 4.27Å; Q194-V262 PolarHBondContact N-O 3.44Å; L203-V262 HydrophobicContact CD1-CB 3.74Å; L203-V262 HydrophobicContact CD1-CG1 4.26Å; L203-V262 HydrophobicContact CD1-CG2 4.34Å; L203-V262 HydrophobicContact CD2-CG2 4.44Å; I230-V262 WeakPolarHBondContact O-CG1 3.42Å; P232-V262 HydrophobicContact CB-CG1 4.39Å; P232-V262 HydrophobicContact CG-CG1 4.04Å
263	I	93.8	Very high	96.1	Very high	61 Å²	61	30.6 Å²	30.6	31%	0.313	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.8	-179.6	-55.1	-57.9	0	0	0	110.6	Q194 R198 S199	Q194-I263 HydrophobicContact CB-CD1 4.3Å; Q194-I263 WeakPolarHBondContact O-CA 3.26Å; R198-I263 WeakPolarHBondContact O-CG2 3.3Å; S199-I263 WeakPolarHBondContact CB-O 3.47Å; S199-I263 PolarHBondContact OG-O 2.96Å
264	I	93.7	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.3	172.6	-165.4	173.5	0	0	0	109.5	C193 Q194 V195 G196 F207 Q268 L269 L272	C193-I264 HydrophobicContact CB-CB 4.38Å; C193-I264 HydrophobicContact CB-CG2 3.83Å; Q194-I264 PolarHBondContact O-N 2.03Å; V195-I264 CarbonylContact C-O 3.58Å; V195-I264 VanDerWaalsContact CA-O 3.27Å; V195-I264 WeakPolarHBondContact CA-O 3Å; G196-I264 PolarHBondContact N-O 3.3Å; F207-I264 HydrophobicContact CD1-CD1 3.86Å; F207-I264 HydrophobicContact CD2-CD1 3.73Å; F207-I264 HydrophobicContact CD2-CG1 3.94Å; F207-I264 HydrophobicContact CE1-CD1 3.72Å; F207-I264 HydrophobicContact CE2-CB 4.46Å; F207-I264 HydrophobicContact CE2-CD1 3.6Å; F207-I264 HydrophobicContact CE2-CG1 3.95Å; F207-I264 HydrophobicContact CG-CD1 3.89Å; F207-I264 HydrophobicContact CG-CG1 4.42Å; F207-I264 HydrophobicContact CZ-CD1 3.6Å; F207-I264 HydrophobicContact CZ-CG1 4.43Å; I264-Q268 HydrophobicContact CD1-CB 4.08Å; I264-Q268 HydrophobicContact CG1-CB 3.7Å; I264-Q268 VanDerWaalsContact CG1-OE1 3.29Å; I264-L269 HydrophobicContact CD1-CD2 3.94Å; I264-L269 HydrophobicContact CD1-CG 4Å; I264-L269 HydrophobicContact CG1-CG 4.34Å; I264-L269 HydrophobicContact CG2-CD1 4.05Å; I264-L269 HydrophobicContact CG2-CD2 4.39Å; I264-L269 HydrophobicContact CG2-CG 4.11Å; I264-L272 HydrophobicContact CD1-CD1 4.09Å
265	T	95	Very high	95.9	Very high	25 Å²	25	32.5 Å²	32.5	15%	0.153	17%	0.166	C	C	.	.			trans	-87.5	157.2	177	65.9	0	0	0	0	111.6	T267 Q268 L269	T265-T267 PolarHBondContact O-N 3.09Å; T265-Q268 PolarHBondContact O-N 2.86Å; T265-Q268 VanDerWaalsContact OG1-CD 3.28Å; T265-Q268 VanDerWaalsContact OG1-CG 3.29Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.43Å; T265-Q268 PolarHBondContact OG1-N 2.71Å; T265-Q268 PolarHBondContact OG1-OE1 3.37Å; T265-L269 PolarHBondContact O-N 2.75Å; T265-L269 VanDerWaalsContact O-N 3.1Å
266	E	94.9	Very high	95.8	Very high	84 Å²	84	34 Å²	34	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-62.1	-31.1	174.7	-168.5	62	-148	0	0	112	S146 L269 K270 R273	S146-E266 VanDerWaalsContact OG-CD 3.24Å; S146-E266 PolarHBondContact OG-OE1 3.48Å; S146-E266 VanDerWaalsContact OG-OE1 3.09Å; S146-E266 PolarHBondContact OG-OE2 3.07Å; E266-L269 PolarHBondContact O-N 2.88Å; E266-K270 WeakPolarHBondContact O-CB 3.29Å; E266-K270 PolarHBondContact O-N 3.07Å; E266-R273 IonicContact OE1-CZ 3.67Å; E266-R273 IonicContact OE1-NH1 2.69Å; E266-R273 PolarHBondContact OE1-NH1 3.44Å; E266-R273 IonicContact OE1-NH2 3.8Å
267	T	93.7	Very high	95.6	Very high	106 Å²	106	37.2 Å²	37.2	65%	0.65	19%	0.188	S	C	*	.	H	α-helix	trans	-64.2	-46.7	175.6	-55.6	0	0	0	0	111.3	T265 L269 K270 S271	T265-T267 PolarHBondContact O-N 3.09Å; T267-L269 PolarHBondContact O-N 3.22Å; T267-K270 WeakPolarHBondContact O-CB 3.08Å; T267-K270 PolarHBondContact O-N 3.3Å; T267-K270 VanDerWaalsContact O-N 3.11Å; T267-S271 PolarHBondContact O-N 2.87Å; T267-S271 VanDerWaalsContact O-N 3.11Å
268	Q	94.6	Very high	95.4	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-42.9	176.2	-73.4	162	-30.9	0	0	111.6	E204 F207 I264 T265 K270 S271 L272	E204-Q268 VanDerWaalsContact CA-NE2 3.26Å; F207-Q268 HydrophobicContact CB-CB 3.92Å; F207-Q268 HydrophobicContact CB-CG 3.85Å; F207-Q268 HydrophobicContact CG-CB 4.43Å; I264-Q268 HydrophobicContact CD1-CB 4.08Å; I264-Q268 HydrophobicContact CG1-CB 3.7Å; I264-Q268 VanDerWaalsContact CG1-OE1 3.29Å; T265-Q268 PolarHBondContact O-N 2.86Å; T265-Q268 VanDerWaalsContact OG1-CD 3.28Å; T265-Q268 VanDerWaalsContact OG1-CG 3.29Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.43Å; T265-Q268 PolarHBondContact OG1-N 2.71Å; T265-Q268 PolarHBondContact OG1-OE1 3.37Å; Q268-K270 VanDerWaalsContact C-N 3.29Å; Q268-K270 PolarHBondContact O-N 3.07Å; Q268-S271 PolarHBondContact O-N 2.76Å; Q268-L272 PolarHBondContact O-N 3.39Å; Q268-L272 VanDerWaalsContact O-N 3.07Å
269	L	95.9	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-37.3	173.7	-74.8	168.8	0	0	0	112.2	P160 A161 V195 I264 T265 E266 T267 S271 L272 R273	P160-L269 HydrophobicContact CB-CD1 3.67Å; P160-L269 HydrophobicContact CB-CD2 4.09Å; P160-L269 HydrophobicContact CG-CD1 4.26Å; A161-L269 HydrophobicContact CB-CD2 4.15Å; V195-L269 HydrophobicContact CG2-CD1 3.62Å; I264-L269 HydrophobicContact CD1-CD2 3.94Å; I264-L269 HydrophobicContact CD1-CG 4Å; I264-L269 HydrophobicContact CG1-CG 4.34Å; I264-L269 HydrophobicContact CG2-CD1 4.05Å; I264-L269 HydrophobicContact CG2-CD2 4.39Å; I264-L269 HydrophobicContact CG2-CG 4.11Å; T265-L269 PolarHBondContact O-N 2.75Å; T265-L269 VanDerWaalsContact O-N 3.1Å; E266-L269 PolarHBondContact O-N 2.88Å; T267-L269 PolarHBondContact O-N 3.22Å; L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 2.82Å; L269-L272 HydrophobicContact CD2-CD1 4.34Å; L269-L272 PolarHBondContact O-N 2.97Å; L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 WeakPolarHBondContact O-CD 3.2Å; L269-R273 WeakPolarHBondContact O-CG 3.37Å; L269-R273 PolarHBondContact O-N 2.8Å
270	K	95.7	Very high	95.2	Very high	138 Å²	138	46.9 Å²	46.9	60%	0.6	24%	0.244	S	C	*	.	H	α-helix	trans	-62.7	-40.4	177.1	-173.6	-178.7	176.4	-174.6	0	111.9	E266 T267 Q268 R273 Q274	E266-K270 WeakPolarHBondContact O-CB 3.29Å; E266-K270 PolarHBondContact O-N 3.07Å; T267-K270 WeakPolarHBondContact O-CB 3.08Å; T267-K270 PolarHBondContact O-N 3.3Å; T267-K270 VanDerWaalsContact O-N 3.11Å; Q268-K270 VanDerWaalsContact C-N 3.29Å; Q268-K270 PolarHBondContact O-N 3.07Å; K270-R273 PolarHBondContact O-N 3.27Å; K270-Q274 WeakPolarHBondContact O-CG 3.38Å; K270-Q274 PolarHBondContact O-N 2.86Å; K270-Q274 PolarHBondContact O-NE2 2.69Å
271	S	95.7	Very high	95.2	Very high	17 Å²	17	47.3 Å²	47.3	12%	0.119	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-48.6	174.4	-68.1	0	0	0	0	111.7	D211 T267 Q268 L269 R273 Q274	D211-S271 WeakPolarHBondContact OD1-CB 3.36Å; D211-S271 PolarHBondContact OD1-OG 2.91Å; D211-S271 PolarHBondContact OD2-OG 3.43Å; T267-S271 PolarHBondContact O-N 2.87Å; T267-S271 VanDerWaalsContact O-N 3.11Å; Q268-S271 PolarHBondContact O-N 2.76Å; L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 2.82Å; S271-R273 PolarHBondContact O-N 2.73Å; S271-Q274 WeakPolarHBondContact O-CB 3.19Å; S271-Q274 PolarHBondContact O-N 3.22Å
272	L	96.9	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-41.9	173.8	-72.9	170.5	0	0	0	111.9	L111 F142 F207 A210 I264 Q268 L269 Q274 L275	L111-L272 HydrophobicContact CD2-CD2 4Å; F142-L272 HydrophobicContact CB-CD1 4.24Å; F142-L272 HydrophobicContact CD1-CB 4.36Å; F142-L272 HydrophobicContact CD1-CD2 4.3Å; F142-L272 HydrophobicContact CD2-CB 3.82Å; F142-L272 HydrophobicContact CE1-CD2 4.35Å; F142-L272 VanDerWaalsContact CE2-C 3.48Å; F142-L272 HydrophobicContact CE2-CB 3.99Å; F142-L272 WeakPolarHBondContact CE2-O 3.3Å; F142-L272 HydrophobicContact CG-CB 4.01Å; F142-L272 HydrophobicContact CG-CD1 4.31Å; F142-L272 HydrophobicContact CZ-CB 4.35Å; F142-L272 WeakPolarHBondContact CZ-O 3.22Å; F207-L272 HydrophobicContact CD1-CD1 3.72Å; F207-L272 HydrophobicContact CD1-CD2 4.3Å; F207-L272 HydrophobicContact CD1-CG 4.27Å; F207-L272 HydrophobicContact CE1-CD1 3.89Å; A210-L272 HydrophobicContact CB-CD2 3.88Å; A210-L272 HydrophobicContact CB-CG 4.24Å; I264-L272 HydrophobicContact CD1-CD1 4.09Å; Q268-L272 PolarHBondContact O-N 3.39Å; Q268-L272 VanDerWaalsContact O-N 3.07Å; L269-L272 HydrophobicContact CD2-CD1 4.34Å; L269-L272 PolarHBondContact O-N 2.97Å; L272-Q274 PolarHBondContact O-N 3.15Å; L272-Q274 VanDerWaalsContact O-N 3.14Å; L272-L275 HydrophobicContact CD2-CD1 4.13Å; L272-L275 VanDerWaalsContact O-CB 3.3Å; L272-L275 WeakPolarHBondContact O-CB 3.49Å; L272-L275 WeakPolarHBondContact O-CG 3.4Å; L272-L275 PolarHBondContact O-N 3.08Å; L272-L275 VanDerWaalsContact O-N 3.09Å
273	R	97	Very high	95.1	Very high	23 Å²	23	53.1 Å²	53.1	9%	0.087	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.9	179	-70.2	165.6	-172	156.7	6.1	114.5	G143 S144 S146 E266 L269 K270 S271 R285 A287	G143-R273 WeakPolarHBondContact O-CG 3.36Å; G143-R273 PolarHBondContact O-NE 3.3Å; S144-R273 WeakPolarHBondContact O-CD 3.45Å; S144-R273 PolarHBondContact O-NE 3.32Å; S146-R273 PolarHBondContact OG-NH2 2.69Å; E266-R273 IonicContact OE1-CZ 3.67Å; E266-R273 IonicContact OE1-NH1 2.69Å; E266-R273 PolarHBondContact OE1-NH1 3.44Å; E266-R273 IonicContact OE1-NH2 3.8Å; L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 WeakPolarHBondContact O-CD 3.2Å; L269-R273 WeakPolarHBondContact O-CG 3.37Å; L269-R273 PolarHBondContact O-N 2.8Å; K270-R273 PolarHBondContact O-N 3.27Å; S271-R273 PolarHBondContact O-N 2.73Å; R273-R285 WeakPolarHBondContact O-CD 3.07Å; R273-A287 HydrophobicContact CB-CB 4.46Å; R273-A287 HydrophobicContact CG-CB 4.2Å
274	Q	96.6	Very high	95.1	Very high	44 Å²	44	52 Å²	52	21%	0.206	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.5	173	-60.2	-39.7	-62.3	0	0	113.6	K270 S271 L272 R276 W281	K270-Q274 WeakPolarHBondContact O-CG 3.38Å; K270-Q274 PolarHBondContact O-N 2.86Å; K270-Q274 PolarHBondContact O-NE2 2.69Å; S271-Q274 WeakPolarHBondContact O-CB 3.19Å; S271-Q274 PolarHBondContact O-N 3.22Å; L272-Q274 PolarHBondContact O-N 3.15Å; L272-Q274 VanDerWaalsContact O-N 3.14Å; Q274-R276 PolarHBondContact O-N 3.21Å; Q274-R276 PolarHBondContact O-NE 3.12Å; Q274-W281 HydrophobicContact CB-CH2 4.48Å
275	L	97.5	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.			trans	-56.3	139.5	177.9	-63.8	179.9	0	0	0	110.7	L111 F142 A210 V213 Q214 L272 R285 M286	L111-L275 HydrophobicContact CB-CD1 4.41Å; L111-L275 HydrophobicContact CD1-CD1 4.18Å; L111-L275 HydrophobicContact CD2-CD1 4.27Å; F142-L275 HydrophobicContact CE1-CD1 4.01Å; F142-L275 HydrophobicContact CZ-CB 4.28Å; F142-L275 HydrophobicContact CZ-CD1 3.76Å; F142-L275 HydrophobicContact CZ-CG 4.44Å; A210-L275 HydrophobicContact CB-CD2 4.49Å; A210-L275 WeakPolarHBondContact O-CD2 3.34Å; V213-L275 HydrophobicContact CG2-CD2 4.15Å; V213-L275 VanDerWaalsContact O-CD2 3.24Å; V213-L275 WeakPolarHBondContact O-CD2 3.4Å; Q214-L275 CarbonylContact O-C 3.52Å; L272-L275 HydrophobicContact CD2-CD1 4.13Å; L272-L275 VanDerWaalsContact O-CB 3.3Å; L272-L275 WeakPolarHBondContact O-CB 3.49Å; L272-L275 WeakPolarHBondContact O-CG 3.4Å; L272-L275 PolarHBondContact O-N 3.08Å; L272-L275 VanDerWaalsContact O-N 3.09Å; L275-R285 CarbonylContact O-C 3.48Å; L275-R285 WeakPolarHBondContact O-CA 3.45Å; L275-M286 HydrophobicContact CB-CB 3.9Å; L275-M286 HydrophobicContact CB-CE 4.46Å; L275-M286 HydrophobicContact CB-SD 4.06Å; L275-M286 HydrophobicContact CD1-SD 3.85Å; L275-M286 PolarHBondContact O-N 3.09Å
276	R	96.7	Very high	95.2	Very high	30 Å²	30	57.1 Å²	57.1	11%	0.113	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-110.3	151.8	-175.3	-58.9	-57.3	-178	145.4	5.1	111.5	N106 Q214 L215 Q274 W281 S283 G284	N106-R276 PolarHBondContact ND2-O 3.05Å; N106-R276 PolarHBondContact OD1-O 3.38Å; Q214-R276 WeakPolarHBondContact O-CB 3.48Å; Q214-R276 PolarHBondContact O-N 3.34Å; L215-R276 HydrophobicContact CD2-CB 3.96Å; L215-R276 HydrophobicContact CD2-CG 3.82Å; Q274-R276 PolarHBondContact O-N 3.21Å; Q274-R276 PolarHBondContact O-NE 3.12Å; R276-W281 HydrophobicContact CG-CE3 3.97Å; R276-W281 HydrophobicContact CG-CZ3 4.21Å; R276-W281 PolarHBondContact NE-O 3.02Å; R276-W281 PolarHBondContact NH1-O 3.17Å; R276-W281 VanDerWaalsContact NH2-CZ2 3.3Å; R276-S283 WeakPolarHBondContact CB-OG 3.29Å; R276-S283 PolarHBondContact NH1-O 3.34Å; R276-G284 WeakPolarHBondContact CA-O 3.37Å
277	I	93.9	Very high	95.3	Very high	68 Å²	68	53.3 Å²	53.3	35%	0.349	27%	0.269	S	S	.	.	S	Bend	trans	-83	-16.2	-178.2	68.3	-179.8	0	0	0	113.7	G108 K216 G284 M286	G108-I277 WeakPolarHBondContact CA-O 3.35Å; G108-I277 WeakPolarHBondContact O-CA 3.16Å; G108-I277 WeakPolarHBondContact O-CB 3.48Å; G108-I277 WeakPolarHBondContact O-CG2 3.48Å; K216-I277 VanDerWaalsContact CD-O 3.29Å; K216-I277 WeakPolarHBondContact CD-O 3.21Å; I277-G284 WeakPolarHBondContact CG1-O 3.34Å; I277-G284 PolarHBondContact N-O 3.37Å; I277-M286 HydrophobicContact CG2-CB 4.34Å
278	S	94.6	Very high	95.4	Very high	34 Å²	34	49.6 Å²	49.6	24%	0.238	25%	0.245	C	C	.	.	S	Bend	trans	-129.4	175.1	179.1	-56.2	0	0	0	0	111.7	K216 F280 S283	K216-S278 VanDerWaalsContact CB-C 3.41Å; K216-S278 PolarHBondContact N-O 2.83Å; S278-F280 VanDerWaalsContact CB-CE1 3.48Å; S278-F280 PolarHBondContact O-N 2.73Å; S278-S283 PolarHBondContact N-OG 3.3Å
279	S	94.4	Very high	95.5	Very high	88 Å²	88	49 Å²	49	62%	0.615	24%	0.242	S	C	*	.	S	Bend	trans	-76.8	8.3	-177.8	52.8	0	0	0	0	114.2
280	F	94.7	Very high	95.5	Very high	108 Å²	108	51.1 Å²	51.1	47%	0.474	25%	0.25	S	S	.	.	S	Bend	trans	-134.5	150.4	-179.6	60.5	-89.9	0	0	0	110.7	S278 E282 S283	S278-F280 VanDerWaalsContact CB-CE1 3.48Å; S278-F280 PolarHBondContact O-N 2.73Å; F280-E282 HydrophobicContact CD2-CB 4.08Å; F280-E282 HydrophobicContact CE2-CB 4.34Å; F280-E282 PolarHBondContact O-N 2.98Å; F280-S283 WeakPolarHBondContact O-CB 3.47Å; F280-S283 PolarHBondContact O-N 2.67Å; F280-S283 PolarHBondContact O-OG 2.96Å
281	W	93.7	Very high	95.5	Very high	109 Å²	109	44.6 Å²	44.6	41%	0.413	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.5	-165.5	-175.1	-110.4	0	0	0	114.1	Q214 L215 Q274 R276 S283	Q214-W281 HydrophobicContact CB-CZ3 4.18Å; Q214-W281 VanDerWaalsContact OE1-CZ3 3.32Å; L215-W281 HydrophobicContact CD2-CE3 4.05Å; Q274-W281 HydrophobicContact CB-CH2 4.48Å; R276-W281 HydrophobicContact CG-CE3 3.97Å; R276-W281 HydrophobicContact CG-CZ3 4.21Å; R276-W281 PolarHBondContact NE-O 3.02Å; R276-W281 PolarHBondContact NH1-O 3.17Å; R276-W281 VanDerWaalsContact NH2-CZ2 3.3Å; W281-S283 PolarHBondContact O-N 2.91Å
282	E	95.2	Very high	95.5	Very high	156 Å²	156	47 Å²	47	73%	0.729	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-9	-179.9	-63	69.9	-155	0	0	112.3	F280	F280-E282 HydrophobicContact CD2-CB 4.08Å; F280-E282 HydrophobicContact CE2-CB 4.34Å; F280-E282 PolarHBondContact O-N 2.98Å
283	S	93.2	Very high	95.5	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.063	25%	0.245	C	C	.	.	S	Bend	trans	-68.8	163.5	176.8	67.8	0	0	0	0	113.1	R276 S278 F280 W281	R276-S283 WeakPolarHBondContact CB-OG 3.29Å; R276-S283 PolarHBondContact NH1-O 3.34Å; S278-S283 PolarHBondContact N-OG 3.3Å; F280-S283 WeakPolarHBondContact O-CB 3.47Å; F280-S283 PolarHBondContact O-N 2.67Å; F280-S283 PolarHBondContact O-OG 2.96Å; W281-S283 PolarHBondContact O-N 2.91Å
284	G	92.9	Very high	95.4	Very high	37 Å²	37	50.2 Å²	50.2	38%	0.381	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57.4	156.1	177.4	0	0	0	0	0	113.1	R276 I277	R276-G284 WeakPolarHBondContact CA-O 3.37Å; I277-G284 WeakPolarHBondContact CG1-O 3.34Å; I277-G284 PolarHBondContact N-O 3.37Å
285	R	95.3	Very high	95.4	Very high	129 Å²	129	56 Å²	56	49%	0.487	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-76.5	140.3	173.3	-68.5	-179.6	173.8	178.2	0.6	110.7	R273 L275 A287	R273-R285 WeakPolarHBondContact O-CD 3.07Å; L275-R285 CarbonylContact O-C 3.48Å; L275-R285 WeakPolarHBondContact O-CA 3.45Å; R285-A287 VanDerWaalsContact C-N 3.28Å; R285-A287 PolarHBondContact O-N 3.28Å
286	M	95.9	Very high	95.3	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	29%	0.29	C	S	.	.			trans	-66.4	-29.9	174.1	178.5	-173.3	-74.5	0	0	112.3	N106 D110 F142 L275 I277 N289	N106-M286 HydrophobicContact CB-CE 4.44Å; N106-M286 VanDerWaalsContact CG-CE 3.48Å; N106-M286 WeakPolarHBondContact OD1-CE 3.07Å; D110-M286 VanDerWaalsContact C-SD 3.6Å; D110-M286 VanDerWaalsContact O-CE 3.31Å; D110-M286 WeakPolarHBondContact O-CE 3.43Å; F142-M286 HydrophobicContact CE1-CG 4.26Å; F142-M286 HydrophobicContact CE1-SD 3.78Å; F142-M286 HydrophobicContact CZ-CB 4.09Å; F142-M286 HydrophobicContact CZ-CG 3.76Å; F142-M286 HydrophobicContact CZ-SD 3.65Å; L275-M286 HydrophobicContact CB-CB 3.9Å; L275-M286 HydrophobicContact CB-CE 4.46Å; L275-M286 HydrophobicContact CB-SD 4.06Å; L275-M286 HydrophobicContact CD1-SD 3.85Å; L275-M286 PolarHBondContact O-N 3.09Å; I277-M286 HydrophobicContact CG2-CB 4.34Å; M286-N289 HydrophobicContact CG-CB 4.22Å; M286-N289 WeakPolarHBondContact O-CB 2.98Å; M286-N289 PolarHBondContact O-N 3.12Å
287	A	96.6	Very high	95.2	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.025	31%	0.305	C	S	.	.			trans	-46.2	146	-178	0	0	0	0	0	113	K40 F142 R273 R285	K40-A287 PolarHBondContact NZ-O 3.29Å; F142-A287 HydrophobicContact CD2-CB 4.13Å; F142-A287 VanDerWaalsContact CE2-CA 3.41Å; F142-A287 HydrophobicContact CE2-CB 3.8Å; R273-A287 HydrophobicContact CB-CB 4.46Å; R273-A287 HydrophobicContact CG-CB 4.2Å; R285-A287 VanDerWaalsContact C-N 3.28Å; R285-A287 PolarHBondContact O-N 3.28Å
288	D	96.3	Very high	95.2	Very high	29 Å²	29	70 Å²	70	16%	0.155	33%	0.333	C	S	.	.			trans	67.8	47.9	-163.9	-47	-46	0	0	0	112.1	Y39 K40 F142 G143 S144 Y290	Y39-D288 WeakPolarHBondContact CB-O 3.2Å; K40-D288 IonicContact NZ-OD2 2.84Å; F142-D288 WeakPolarHBondContact O-CA 3.35Å; F142-D288 PolarHBondContact O-N 2.7Å; G143-D288 WeakPolarHBondContact CA-OD1 3.46Å; S144-D288 VanDerWaalsContact CB-OD2 3.24Å; S144-D288 WeakPolarHBondContact CB-OD2 3.46Å; S144-D288 PolarHBondContact N-OD1 2.86Å; S144-D288 VanDerWaalsContact OG-CG 3.24Å; S144-D288 PolarHBondContact OG-OD1 2.86Å; S144-D288 PolarHBondContact OG-OD2 2.82Å; D288-Y290 HydrophobicContact CB-CD1 4.33Å; D288-Y290 HydrophobicContact CB-CE1 3.68Å; D288-Y290 PolarHBondContact O-N 3.16Å
289	N	96.7	Very high	95.2	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	33%	0.327	C	S	.	.			trans	-89.9	33.1	176.4	67.7	-29	0	0	0	113.5	Y39 Q109 D110 I140 K141 F142 M286	Y39-N289 HydrophobicContact CD2-CB 3.89Å; Y39-N289 WeakPolarHBondContact CD2-O 3.13Å; Y39-N289 HydrophobicContact CE2-CB 4.37Å; Y39-N289 VanDerWaalsContact CE2-O 3.31Å; Y39-N289 WeakPolarHBondContact CE2-O 3.47Å; Y39-N289 HydrophobicContact CG-CB 4.49Å; Q109-N289 VanDerWaalsContact O-CB 3.23Å; Q109-N289 WeakPolarHBondContact O-CB 3.41Å; D110-N289 WeakPolarHBondContact CB-ND2 3.5Å; I140-N289 PolarHBondContact O-ND2 3Å; K141-N289 WeakPolarHBondContact CA-OD1 3.41Å; K141-N289 WeakPolarHBondContact CD-O 3.49Å; K141-N289 PolarHBondContact NZ-O 2.82Å; K141-N289 VanDerWaalsContact NZ-O 3.16Å; F142-N289 PolarHBondContact N-OD1 2.95Å; F142-N289 PolarHBondContact O-OD1 3.23Å; F142-N289 VanDerWaalsContact O-OD1 3.09Å; M286-N289 HydrophobicContact CG-CB 4.22Å; M286-N289 WeakPolarHBondContact O-CB 2.98Å; M286-N289 PolarHBondContact O-N 3.12Å
290	Y	96.3	Very high	95.2	Very high	45 Å²	45	69.4 Å²	69.4	18%	0.176	32%	0.324	C	S	.	.			trans	-112.6	153.3	179.6	59.2	-98.3	0	0	0	110.5	Y39 R148 G149 D288	Y39-Y290 VanDerWaalsContact CD1-O 3.29Å; Y39-Y290 WeakPolarHBondContact CD1-O 3.49Å; R148-Y290 WeakPolarHBondContact CD-OH 3.48Å; G149-Y290 WeakPolarHBondContact O-CD1 3.45Å; D288-Y290 HydrophobicContact CB-CD1 4.33Å; D288-Y290 HydrophobicContact CB-CE1 3.68Å; D288-Y290 PolarHBondContact O-N 3.16Å
291	R	96.2	Very high	95.4	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.008	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-84.5	149.3	175	-162.5	-171.4	-177.3	-176.7	-0.8	109.7	Y39 P47 W50 S73 P74 D151 L244 P245 C249	Y39-R291 HydrophobicContact CD1-CB 4.43Å; Y39-R291 HydrophobicContact CE1-CB 4.2Å; P47-R291 HydrophobicContact CB-CG 3.88Å; P47-R291 HydrophobicContact CG-CG 4.28Å; W50-R291 HydrophobicContact CH2-CG 4.16Å; W50-R291 HydrophobicContact CZ3-CG 3.85Å; S73-R291 VanDerWaalsContact O-CD 3.31Å; S73-R291 WeakPolarHBondContact O-CD 3.46Å; S73-R291 PolarHBondContact O-NH1 3.49Å; P74-R291 HydrophobicContact CG-CB 4.43Å; D151-R291 WeakPolarHBondContact OD1-CB 3.35Å; D151-R291 PolarHBondContact OD1-N 2.88Å; L244-R291 PolarHBondContact O-NH1 3.09Å; P245-R291 HydrophobicContact CB-CB 4.32Å; C249-R291 PolarHBondContact SG-NH2 3.2Å; C249-R291 VanDerWaalsContact SG-NH2 3.44Å
292	I	94.2	Very high	95.6	Very high	66 Å²	66	63.7 Å²	63.7	34%	0.338	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-63.8	151.9	172.1	62.6	170.9	0	0	0	111.4	E41 P47 Q294	E41-I292 HydrophobicContact CB-CG2 4.36Å; E41-I292 HydrophobicContact CG-CG2 4.06Å; P47-I292 HydrophobicContact CB-CG1 4.36Å; I292-Q294 PolarHBondContact O-N 2.96Å; I292-Q294 PolarHBondContact O-NE2 3.1Å
293	I	97	Very high	95.7	Very high	52 Å²	52	56.3 Å²	56.3	27%	0.267	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-60	133	176.7	-62.1	-68.4	0	0	0	110.8	P74 N76 D151 Q153	P74-I293 HydrophobicContact CB-CD1 4.45Å; P74-I293 HydrophobicContact CG-CD1 4.31Å; N76-I293 HydrophobicContact CB-CD1 4.39Å; N76-I293 HydrophobicContact CB-CG2 3.83Å; N76-I293 VanDerWaalsContact N-CG2 3.35Å; D151-I293 VanDerWaalsContact O-CD1 3.25Å; D151-I293 WeakPolarHBondContact O-CD1 3.49Å; Q153-I293 HydrophobicContact CB-CD1 4.02Å; Q153-I293 HydrophobicContact CG-CD1 3.78Å; Q153-I293 HydrophobicContact CG-CG1 4.16Å
294	Q	96.3	Very high	95.8	Very high	39 Å²	39	56.9 Å²	56.9	18%	0.182	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-98	158.3	177.7	-54	-60.4	-51.5	0	0	110.4	Q72 S73 P74 I292 I296	Q72-Q294 HydrophobicContact CB-CB 3.81Å; Q72-Q294 HydrophobicContact CB-CG 3.78Å; S73-Q294 WeakPolarHBondContact O-CG 3.42Å; P74-Q294 WeakPolarHBondContact O-CA 3.24Å; P74-Q294 VanDerWaalsContact O-CB 3.3Å; P74-Q294 WeakPolarHBondContact O-CB 3.32Å; P74-Q294 PolarHBondContact O-N 3.01Å; I292-Q294 PolarHBondContact O-N 2.96Å; I292-Q294 PolarHBondContact O-NE2 3.1Å; Q294-I296 PolarHBondContact O-N 3.07Å
295	K	96	Very high	95.8	Very high	166 Å²	166	55.8 Å²	55.8	72%	0.722	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-65.9	134.9	178.3	-65.6	179	-179	176.3	0	110.2	N297 R299	K295-N297 WeakPolarHBondContact CB-OD1 3.3Å; K295-N297 PolarHBondContact O-N 3.41Å; K295-R299 PolarHBondContact O-NH2 3.01Å
296	I	95.6	Very high	95.3	Very high	65 Å²	65	51.8 Å²	51.8	33%	0.333	24%	0.242	S	C	.	.			trans	-62.8	-29.3	173.9	-168.8	62.2	0	0	0	112	I75 Q294 R298 R299 V301	I75-I296 HydrophobicContact CB-CD1 4.27Å; I75-I296 HydrophobicContact CD1-CD1 3.44Å; I75-I296 VanDerWaalsContact CD1-CD1 3.44Å; I75-I296 HydrophobicContact CG1-CD1 4.44Å; I75-I296 HydrophobicContact CG2-CD1 4.08Å; Q294-I296 PolarHBondContact O-N 3.07Å; I296-R298 PolarHBondContact O-N 2.98Å; I296-R299 HydrophobicContact CD1-CB 4.27Å; I296-R299 WeakPolarHBondContact CG1-O 3.44Å; I296-R299 WeakPolarHBondContact O-CB 3.35Å; I296-R299 PolarHBondContact O-N 3.41Å; I296-R299 PolarHBondContact O-NE 3.21Å; I296-R299 VanDerWaalsContact O-NE 3.15Å; I296-V301 HydrophobicContact CD1-CG2 4.06Å
297	N	95.1	Very high	94.5	Very high	78 Å²	78	56.6 Å²	56.6	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-125.8	-174.2	-61.9	-38.7	0	0	0	111	K70 K295	K70-N297 PolarHBondContact O-ND2 3.32Å; K295-N297 WeakPolarHBondContact CB-OD1 3.3Å; K295-N297 PolarHBondContact O-N 3.41Å
298	R	92.1	Very high	93.2	Very high	248 Å²	248	64.8 Å²	64.8	94%	0.936	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	16.3	-178.4	-61.9	-176.3	-179.5	-179.7	-0.4	113.1	I296	I296-R298 PolarHBondContact O-N 2.98Å
299	R	95.1	Very high	91.3	Very high	33 Å²	33	70.7 Å²	70.7	13%	0.125	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-85.7	142	-179.6	-64	178.5	-69.6	176.5	-3.6	110.4	M71 Q72 Q241 K295 I296	M71-R299 VanDerWaalsContact CA-CZ 3.48Å; M71-R299 HydrophobicContact CG-CG 4.44Å; M71-R299 PolarHBondContact O-NH1 3.33Å; Q72-R299 PolarHBondContact O-NH1 2.87Å; Q72-R299 PolarHBondContact O-NH2 3.27Å; Q241-R299 WeakPolarHBondContact O-CD 3.12Å; Q241-R299 PolarHBondContact O-NH1 3.27Å; K295-R299 PolarHBondContact O-NH2 3.01Å; I296-R299 HydrophobicContact CD1-CB 4.27Å; I296-R299 WeakPolarHBondContact CG1-O 3.44Å; I296-R299 WeakPolarHBondContact O-CB 3.35Å; I296-R299 PolarHBondContact O-N 3.41Å; I296-R299 PolarHBondContact O-NE 3.21Å; I296-R299 VanDerWaalsContact O-NE 3.15Å
300	S	95.2	Very high	88.9	Confident	77 Å²	77	74.9 Å²	74.9	54%	0.538	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-96.4	145.9	167.3	-57.7	0	0	0	0	109.9
301	V	97.8	Very high	86	Confident	11 Å²	11	80 Å²	80	7%	0.067	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-97.4	122.8	168.2	-176.3	0	0	0	0	107.1	I75 I77 L82 V83 M238 I296	I75-V301 HydrophobicContact CD1-CG2 3.52Å; I77-V301 HydrophobicContact CG2-CB 4.5Å; I77-V301 HydrophobicContact CG2-CG1 4.05Å; L82-V301 HydrophobicContact CD2-CB 3.84Å; L82-V301 HydrophobicContact CD2-CG1 3.52Å; V83-V301 PolarHBondContact N-O 2.97Å; M238-V301 HydrophobicContact CB-CG1 4.11Å; I296-V301 HydrophobicContact CD1-CG2 4.06Å
302	R	97.6	Very high	83.7	Confident	86 Å²	86	84.8 Å²	84.8	33%	0.325	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	155.6	-179.7	-59.7	-177	-65.4	156.8	-3.4	110.6	V83 D85 L88 M238 T239	V83-R302 HydrophobicContact CB-CG 4.47Å; V83-R302 CarbonylContact O-C 3.51Å; V83-R302 VanDerWaalsContact O-CA 3.24Å; V83-R302 WeakPolarHBondContact O-CA 3.06Å; D85-R302 HydrophobicContact CB-CB 4.32Å; D85-R302 WeakPolarHBondContact OD2-CD 3.3Å; D85-R302 IonicContact OD2-CZ 3.49Å; D85-R302 IonicContact OD2-NE 3.6Å; D85-R302 IonicContact OD2-NH1 3.5Å; D85-R302 PolarHBondContact OD2-NH1 3.06Å; L88-R302 HydrophobicContact CD1-CB 3.89Å; M238-R302 CarbonylContact C-O 3.08Å; M238-R302 WeakPolarHBondContact CA-O 3.3Å; T239-R302 HydrophobicContact CG2-CB 3.97Å; T239-R302 PolarHBondContact N-O 2.81Å; T239-R302 PolarHBondContact O-N 2.76Å
303	T	97.7	Very high	81.3	Confident	1 Å²	1	92.8 Å²	92.8	1%	0.006	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.5	177.1	-172.2	0	0	0	0	111.5	L82 V83 F84 D85 Y237 I305 F307	L82-T303 HydrophobicContact CB-CG2 3.92Å; L82-T303 HydrophobicContact CD1-CG2 4.26Å; L82-T303 HydrophobicContact CG-CG2 4.47Å; V83-T303 PolarHBondContact O-N 3.03Å; F84-T303 WeakPolarHBondContact CA-O 3.35Å; D85-T303 PolarHBondContact N-O 2.71Å; Y237-T303 WeakPolarHBondContact O-CA 3.33Å; Y237-T303 WeakPolarHBondContact O-CB 3.14Å; Y237-T303 PolarHBondContact O-OG1 2.76Å; T303-I305 HydrophobicContact CG2-CB 4.46Å; T303-I305 WeakPolarHBondContact OG1-CB 3Å; T303-I305 WeakPolarHBondContact OG1-CD1 3.31Å; T303-I305 WeakPolarHBondContact OG1-CG1 3.38Å; T303-I305 PolarHBondContact OG1-N 3.27Å; T303-I305 VanDerWaalsContact OG1-N 3.12Å; T303-F307 HydrophobicContact CG2-CE2 4.12Å
304	N	95.6	Very high	78.3	Confident	21 Å²	21	94.6 Å²	94.6	11%	0.112	45%	0.454	C	S	.	.			trans	-99.2	10.8	168.6	69.7	-10.8	0	0	0	112.8	L88 V235 H236 Y237 D306	L88-N304 HydrophobicContact CB-CB 3.75Å; L88-N304 WeakPolarHBondContact O-CB 3.08Å; L88-N304 PolarHBondContact O-ND2 2.89Å; V235-N304 PolarHBondContact O-ND2 2.97Å; H236-N304 WeakPolarHBondContact CA-OD1 3.34Å; Y237-N304 PolarHBondContact N-OD1 3.34Å; Y237-N304 VanDerWaalsContact N-OD1 3.12Å; N304-D306 PolarHBondContact O-N 3.25Å
305	I	92.8	Very high	75.7	Confident	15 Å²	15	99 Å²	99	8%	0.077	49%	0.488	C	S	.	.			trans	-81.1	113	174.3	-58.8	160.9	0	0	0	107.5	F84 H236 M238 N259 T303 F307	F84-I305 WeakPolarHBondContact CD2-O 3.24Å; H236-I305 HydrophobicContact CB-CG1 3.89Å; M238-I305 HydrophobicContact CG-CD1 4.43Å; N259-I305 HydrophobicContact CB-CD1 3.85Å; N259-I305 VanDerWaalsContact CG-CD1 3.47Å; T303-I305 HydrophobicContact CG2-CB 4.46Å; T303-I305 WeakPolarHBondContact OG1-CB 3Å; T303-I305 WeakPolarHBondContact OG1-CD1 3.31Å; T303-I305 WeakPolarHBondContact OG1-CG1 3.38Å; T303-I305 PolarHBondContact OG1-N 3.27Å; T303-I305 VanDerWaalsContact OG1-N 3.12Å; I305-F307 HydrophobicContact CB-CD2 4.35Å; I305-F307 HydrophobicContact CB-CE2 3.79Å; I305-F307 HydrophobicContact CB-CZ 3.91Å; I305-F307 HydrophobicContact CD1-CZ 4.16Å; I305-F307 HydrophobicContact CG2-CD1 4.02Å; I305-F307 HydrophobicContact CG2-CD2 4.07Å; I305-F307 HydrophobicContact CG2-CE1 3.68Å; I305-F307 HydrophobicContact CG2-CE2 3.72Å; I305-F307 HydrophobicContact CG2-CG 4.21Å; I305-F307 HydrophobicContact CG2-CZ 3.52Å; I305-F307 WeakPolarHBondContact O-CD2 3.45Å; I305-F307 PolarHBondContact O-N 2.87Å
306	D	86.1	Confident	72.8	Confident	44 Å²	44	98.3 Å²	98.3	24%	0.235	49%	0.49	C	S	.	.			trans	-79.9	103.8	171.4	-167.9	-24.9	0	0	0	109.4	F84 N304 E308 Q309	F84-D306 HydrophobicContact CE2-CB 3.79Å; F84-D306 HydrophobicContact CZ-CB 3.94Å; N304-D306 PolarHBondContact O-N 3.25Å; D306-E308 WeakPolarHBondContact OD1-CA 2.99Å; D306-E308 WeakPolarHBondContact OD1-CB 3.4Å; D306-E308 PolarHBondContact OD1-N 2.8Å; D306-Q309 HydrophobicContact CB-CB 4.13Å; D306-Q309 HydrophobicContact CB-CG 4.47Å; D306-Q309 PolarHBondContact OD1-N 2.87Å; D306-Q309 WeakPolarHBondContact OD2-CG 3.31Å; D306-Q309 PolarHBondContact OD2-NE2 2.72Å
307	F	77.9	Confident	69.7	Low	107 Å²	107	102.6 Å²	102.6	47%	0.469	51%	0.508	S	S	.	.	S	Bend	trans	-82.8	-12.9	175.8	-64.3	-80.8	0	0	0	112.8	L82 T303 I305 T310	L82-F307 HydrophobicContact CD1-CE2 3.55Å; L82-F307 HydrophobicContact CD1-CZ 3.79Å; T303-F307 HydrophobicContact CG2-CE2 4.12Å; I305-F307 HydrophobicContact CB-CD2 4.35Å; I305-F307 HydrophobicContact CB-CE2 3.79Å; I305-F307 HydrophobicContact CB-CZ 3.91Å; I305-F307 HydrophobicContact CD1-CZ 4.16Å; I305-F307 HydrophobicContact CG2-CD1 4.02Å; I305-F307 HydrophobicContact CG2-CD2 4.07Å; I305-F307 HydrophobicContact CG2-CE1 3.68Å; I305-F307 HydrophobicContact CG2-CE2 3.72Å; I305-F307 HydrophobicContact CG2-CG 4.21Å; I305-F307 HydrophobicContact CG2-CZ 3.52Å; I305-F307 WeakPolarHBondContact O-CD2 3.45Å; I305-F307 PolarHBondContact O-N 2.87Å; F307-T310 PolarHBondContact O-OG1 3.33Å
308	E	70.3	Confident	67.2	Low	175 Å²	175	103.4 Å²	103.4	82%	0.818	52%	0.52	S	S	*	.	S	Bend	trans	-87.6	-30.8	179.5	-62.2	-170.9	170	0	0	111.6	D306 T310	D306-E308 WeakPolarHBondContact OD1-CA 2.99Å; D306-E308 WeakPolarHBondContact OD1-CB 3.4Å; D306-E308 PolarHBondContact OD1-N 2.8Å; E308-T310 PolarHBondContact O-N 2.66Å
309	Q	54.8	Low	64.6	Low	152 Å²	152	99.8 Å²	99.8	71%	0.71	51%	0.506	S	S	*	.			trans	-71.4	-5.1	176.3	-87	-177.5	44.6	0	0	115.3	D306 Q311	D306-Q309 HydrophobicContact CB-CB 4.13Å; D306-Q309 HydrophobicContact CB-CG 4.47Å; D306-Q309 PolarHBondContact OD1-N 2.87Å; D306-Q309 WeakPolarHBondContact OD2-CG 3.31Å; D306-Q309 PolarHBondContact OD2-NE2 2.72Å; Q309-Q311 PolarHBondContact O-N 3.02Å
310	T	47.2	Very low	62.1	Low	89 Å²	89	106.8 Å²	106.8	55%	0.546	53%	0.533	S	S	.	.			trans	-71.4	66.9	163.8	31.1	0	0	0	0	111.1	F307 E308	F307-T310 PolarHBondContact O-OG1 3.33Å; E308-T310 PolarHBondContact O-N 2.66Å
311	Q	36.2	Very low	59.3	Low	154 Å²	154	106.4 Å²	106.4	72%	0.72	53%	0.53	S	S	*	.			trans	-121.4	154.5	169.8	-80.1	-82.7	-22.4	0	0	109.1	Q309 Y313	Q309-Q311 PolarHBondContact O-N 3.02Å; Q311-Y313 PolarHBondContact O-N 3.06Å; Q311-Y313 VanDerWaalsContact O-N 3.08Å
312	P	47.3	Very low	56.6	Low	102 Å²	102	111.7 Å²	111.7	66%	0.662	55%	0.55	S	S	*	.	S	Bend		-97	58.9	-128.7	38.3	-39.7	0	0	0	115.7
313	Y	43	Very low	53.5	Low	233 Å²	233	113.3 Å²	113.3	91%	0.914	56%	0.564	S	S	*	*			trans	-113.6	9	168.1	-80.6	-77.1	0	0	0	115.3	Q311	Q311-Y313 PolarHBondContact O-N 3.06Å; Q311-Y313 VanDerWaalsContact O-N 3.08Å
314	C	35	Very low	50.8	Low	91 Å²	91	116.4 Å²	116.4	62%	0.615	58%	0.582	S	S	*	*			trans	-98.2	112.7	159.6	-158.7	0	0	0	0	108.3	M316	C314-M316 CarbonylContact O-C 3.6Å; C314-M316 PolarHBondContact O-N 2.77Å
315	S	41.5	Very low	48.3	Very low	130 Å²	130	120.5 Å²	120.5	91%	0.909	61%	0.612	S	S	*	*	S	Bend	trans	-67.2	3.9	172	54.9	0	0	0	0	113.2	Q317	S315-Q317 PolarHBondContact O-N 3.19Å
316	M	35.6	Very low	45.9	Very low	152 Å²	152	129.5 Å²	129.5	75%	0.749	65%	0.651	S	S	*	*	S	Bend	trans	-78.3	101.5	155.6	-66.1	-156.3	74.2	0	0	108.1	C314 S318	C314-M316 CarbonylContact O-C 3.6Å; C314-M316 PolarHBondContact O-N 2.77Å; M316-S318 PolarHBondContact O-N 3.21Å; M316-S318 VanDerWaalsContact O-N 3.17Å
317	Q	30.7	Very low	43.2	Very low	155 Å²	155	135.5 Å²	135.5	72%	0.724	68%	0.675	S	S	*	*			trans	-34.3	125.3	170	-82.8	177.5	-16.6	0	0	110.2	S315 R319	S315-Q317 PolarHBondContact O-N 3.19Å; Q317-R319 HydrophobicContact CB-CB 4.48Å; Q317-R319 PolarHBondContact O-N 3.21Å
318	S	42.7	Very low	41	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	68%	0.683	S	S	*	*	S	Bend	trans	-63.7	29.4	169.8	-176.1	0	0	0	0	113	M316 R320	M316-S318 PolarHBondContact O-N 3.21Å; M316-S318 VanDerWaalsContact O-N 3.17Å; S318-R320 VanDerWaalsContact C-N 3.29Å; S318-R320 PolarHBondContact O-N 2.82Å
319	R	36.1	Very low	39.3	Very low	172 Å²	172	133.3 Å²	133.3	65%	0.649	68%	0.682	S	S	*	*			trans	-84.2	77	161.1	-76.6	-175.1	171.7	-169.6	-4.7	108	Q317 S321	Q317-R319 HydrophobicContact CB-CB 4.48Å; Q317-R319 PolarHBondContact O-N 3.21Å; R319-S321 PolarHBondContact O-N 2.79Å
320	R	42.2	Very low	38.2	Very low	181 Å²	181	133.2 Å²	133.2	68%	0.683	68%	0.682	S	S	*	*			trans	-71.7	76.6	143.3	-78.4	-171	-179.9	-170.1	3.5	106.6	N259 S318 Y322	N259-R320 PolarHBondContact ND2-NH1 2.98Å; S318-R320 VanDerWaalsContact C-N 3.29Å; S318-R320 PolarHBondContact O-N 2.82Å; R320-Y322 PolarHBondContact O-N 2.93Å
321	S	38.1	Very low	37.8	Very low	68 Å²	68	140.1 Å²	140.1	48%	0.476	72%	0.716	S	S	.	*			trans	-70.8	107.8	168	42.5	0	0	0	0	107.8	R319 I323	R319-S321 PolarHBondContact O-N 2.79Å; S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.13Å
322	Y	39.2	Very low	37.9	Very low	122 Å²	122	139.5 Å²	139.5	48%	0.478	72%	0.715	S	S	.	*			trans	-67.8	95.5	155.6	-65.8	-80.7	0	0	0	106.7	R320 V324	R320-Y322 PolarHBondContact O-N 2.93Å; Y322-V324 PolarHBondContact O-N 3.16Å
323	I	33.9	Very low	37.4	Very low	121 Å²	121	141.4 Å²	141.4	62%	0.621	72%	0.718	S	S	*	*			trans	-73.9	95.4	172.3	-59.3	175	0	0	0	107.1	S321	S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.13Å
324	V	41.5	Very low	37.1	Very low	65 Å²	65	136.3 Å²	136.3	39%	0.394	71%	0.707	S	S	.	*	B	Isolated β-bridge	trans	-103.9	109.2	170.3	-177	0	0	0	0	108.2	Y322 K326 K327	Y322-V324 PolarHBondContact O-N 3.16Å; V324-K326 PolarHBondContact O-N 3.05Å; V324-K327 PolarHBondContact O-N 3.33Å
325	S	43	Very low	37.2	Very low	107 Å²	107	139 Å²	139	75%	0.748	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.6	51.9	169.7	50.9	0	0	0	0	115.8	K327	S325-K327 PolarHBondContact O-N 3.21Å
326	K	42.4	Very low	36.9	Very low	204 Å²	204	139.6 Å²	139.6	89%	0.887	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.9	18.4	172.9	-65.1	-172.9	176.6	-177.8	0	116.4	V324	V324-K326 PolarHBondContact O-N 3.05Å
327	K	29.6	Very low	37	Very low	170 Å²	170	138.7 Å²	138.7	74%	0.739	70%	0.697	S	S	*	*	B	Isolated β-bridge	trans	-114.3	112.3	165	-74.8	-169.9	175.3	-174.8	0	109.5	V324 S325 V329	V324-K327 PolarHBondContact O-N 3.33Å; S325-K327 PolarHBondContact O-N 3.21Å; K327-V329 PolarHBondContact O-N 3.17Å
328	T	31.6	Very low	37.5	Very low	104 Å²	104	137.6 Å²	137.6	64%	0.638	70%	0.695	S	S	*	*			trans	-72.6	118.4	168.4	-45.5	0	0	0	0	107.3	E330	T328-E330 HydrophobicContact CG2-CG 3.9Å
329	V	33.2	Very low	37.1	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	70%	0.698	S	S	*	*			trans	-89.8	105.9	165.7	-179.1	0	0	0	0	105.8	K327	K327-V329 PolarHBondContact O-N 3.17Å
330	E	32.2	Very low	37.1	Very low	149 Å²	149	138.3 Å²	138.3	70%	0.696	70%	0.702	S	S	*	*			trans	-87	128.8	175.9	-64.4	-177.9	157.9	0	0	108.7	T328	T328-E330 HydrophobicContact CG2-CG 3.9Å
331	N	38.6	Very low	36.7	Very low	235 Å²	235	134.4 Å²	134.4	100%	1.257	70%	0.704	S	S	*	*			trans	-118.7	0	155	-88.1	-11.1	0	0	0	107.6

Retrieved 331 of 331 residues in 204.5 ms (Link to these results)

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