A0A077ZBW4_TRITR Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A077ZBW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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	34.3	Very low	45.8	Very low	213 Å²	213	112.6 Å²	112.6	100%	1.049	53%	0.53	S	S	*	.				0	-56.3	0	-139.9	175.1	-85.1	0	0	112.9	R3 H4	M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.24Å; M1-H4 PolarHBondContact O-N 2.89Å
2	F	31.2	Very low	48.5	Very low	194 Å²	194	107.8 Å²	107.8	85%	0.851	52%	0.516	S	S	*	.	H	α-helix	trans	-58.7	-31.7	179.7	-81.9	-83.8	0	0	0	116.3	A6	F2-A6 PolarHBondContact O-N 3.3Å
3	R	36.2	Very low	50.8	Low	183 Å²	183	107.9 Å²	107.9	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-72.3	-35.5	-177.3	-69.5	-173.7	178.2	-175.1	-1.3	113.8	M1 F19	M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.24Å; R3-F19 HydrophobicContact CB-CE1 4.16Å; R3-F19 HydrophobicContact CB-CZ 4.01Å; R3-F19 WeakPolarHBondContact O-CZ 3.35Å
4	H	40.5	Very low	53.2	Low	155 Å²	155	101.8 Å²	101.8	72%	0.718	51%	0.507	S	S	*	.	H	α-helix	trans	-73.2	-33.2	178.6	-76.6	52.4	0	0	0	112	M1 A6 A7	M1-H4 PolarHBondContact O-N 2.89Å; H4-A6 VanDerWaalsContact C-N 3.32Å; H4-A6 PolarHBondContact O-N 3.08Å; H4-A7 PolarHBondContact O-N 3.34Å
5	Y	36.3	Very low	55.5	Low	144 Å²	144	96.5 Å²	96.5	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-65.8	-34.7	176.8	-131.9	-100.9	0	0	0	112.3	I9	Y5-I9 HydrophobicContact CD1-CD1 3.46Å; Y5-I9 VanDerWaalsContact CD1-CD1 3.46Å; Y5-I9 HydrophobicContact CD1-CG1 4.26Å; Y5-I9 HydrophobicContact CE1-CD1 3.69Å; Y5-I9 WeakPolarHBondContact O-CG1 3.32Å; Y5-I9 PolarHBondContact O-N 3.33Å
6	A	35.2	Very low	57.5	Low	14 Å²	14	92.8 Å²	92.8	12%	0.116	46%	0.463	C	S	.	.	H	α-helix	trans	-68.3	-33.1	179.3	0	0	0	0	0	113.4	F2 H4 I8 Y10 Y18	F2-A6 PolarHBondContact O-N 3.3Å; H4-A6 VanDerWaalsContact C-N 3.32Å; H4-A6 PolarHBondContact O-N 3.08Å; A6-I8 VanDerWaalsContact C-N 3.32Å; A6-I8 PolarHBondContact O-N 3.22Å; A6-Y10 HydrophobicContact CB-CD2 4.13Å; A6-Y10 WeakPolarHBondContact O-CA 2.79Å; A6-Y10 VanDerWaalsContact O-CB 3.28Å; A6-Y10 WeakPolarHBondContact O-CB 3.47Å; A6-Y10 WeakPolarHBondContact O-CD2 3.29Å; A6-Y10 PolarHBondContact O-N 3.35Å; A6-Y18 HydrophobicContact CB-CD2 4.25Å; A6-Y18 HydrophobicContact CB-CE2 4.48Å; A6-Y18 HydrophobicContact CB-CG 4.41Å
7	A	49	Very low	59.3	Low	23 Å²	23	96.5 Å²	96.5	19%	0.19	48%	0.476	C	S	.	.	H	α-helix	trans	-67.8	-32.5	-179.7	0	0	0	0	0	113.1	H4 W15 P227	H4-A7 PolarHBondContact O-N 3.34Å; A7-W15 PolarHBondContact O-NE1 3.42Å; A7-P227 HydrophobicContact CB-CB 4.21Å; A7-P227 HydrophobicContact CB-CG 3.73Å
8	I	52.2	Low	60.9	Low	74 Å²	74	97.1 Å²	97.1	38%	0.379	47%	0.473	S	S	.	.	H	α-helix	trans	-81.9	-43.1	-179.9	-58.4	179.1	0	0	0	110.8	A6 T65	A6-I8 VanDerWaalsContact C-N 3.32Å; A6-I8 PolarHBondContact O-N 3.22Å; I8-T65 HydrophobicContact CD1-CG2 3.72Å; I8-T65 HydrophobicContact CG1-CG2 3.63Å
9	I	54.6	Low	62.5	Low	102 Å²	102	92.9 Å²	92.9	52%	0.523	45%	0.452	S	S	.	.	H	α-helix	trans	-73.4	-38.2	-179.5	-65.4	-179.7	0	0	0	111.5	Y5	Y5-I9 HydrophobicContact CD1-CD1 3.46Å; Y5-I9 VanDerWaalsContact CD1-CD1 3.46Å; Y5-I9 HydrophobicContact CD1-CG1 4.26Å; Y5-I9 HydrophobicContact CE1-CD1 3.69Å; Y5-I9 WeakPolarHBondContact O-CG1 3.32Å; Y5-I9 PolarHBondContact O-N 3.33Å
10	Y	62	Low	64	Low	104 Å²	104	93.4 Å²	93.4	41%	0.408	46%	0.462	S	S	.	.	S	Bend	trans	-110.2	101.9	-177.6	-54.2	-69.3	0	0	0	108.2	A6 W15 Y18	A6-Y10 HydrophobicContact CB-CD2 4.13Å; A6-Y10 WeakPolarHBondContact O-CA 2.79Å; A6-Y10 VanDerWaalsContact O-CB 3.28Å; A6-Y10 WeakPolarHBondContact O-CB 3.47Å; A6-Y10 WeakPolarHBondContact O-CD2 3.29Å; A6-Y10 PolarHBondContact O-N 3.35Å; Y10-W15 PolarHBondContact O-NE1 3.15Å; Y10-W15 VanDerWaalsContact O-NE1 3.09Å; Y10-Y18 HydrophobicContact CD2-CD2 4.5Å; Y10-Y18 AromaticContact CD2-CE2 3.61Å; Y10-Y18 HydrophobicContact CD2-CE2 3.61Å; Y10-Y18 HydrophobicContact CE2-CE2 4.11Å; Y10-Y18 HydrophobicContact CG-CE2 4.07Å
11	G	72.3	Confident	65.4	Low	33 Å²	33	90.9 Å²	90.9	34%	0.34	46%	0.457	S	S	.	.			trans	-57.5	178	-178.6	0	0	0	0	0	114.2	S13 S14	G11-S13 PolarHBondContact O-N 3.2Å; G11-S14 PolarHBondContact O-N 3.01Å
12	P	77.8	Confident	68.2	Low	55 Å²	55	81.3 Å²	81.3	36%	0.357	41%	0.412	S	S	.	.	H	α-helix	trans	-47.2	-37.3	-169.2	-31.1	34.4	0	0	0	116.3	S14 W15 R275	P12-S14 PolarHBondContact O-N 3.34Å; P12-S14 VanDerWaalsContact O-N 3.14Å; P12-W15 HydrophobicContact CB-CD2 4.29Å; P12-W15 HydrophobicContact CB-CE3 4.26Å; P12-W15 HydrophobicContact CB-CH2 4.18Å; P12-W15 HydrophobicContact CB-CZ2 4.2Å; P12-W15 HydrophobicContact CB-CZ3 4.2Å; P12-W15 HydrophobicContact CG-CH2 3.87Å; P12-W15 HydrophobicContact CG-CZ2 3.73Å; P12-W15 HydrophobicContact CG-CZ3 4.39Å; P12-W15 PolarHBondContact O-N 2.9Å; P12-R275 HydrophobicContact CB-CG 4.32Å
13	S	79.4	Confident	71.2	Confident	109 Å²	109	79.7 Å²	79.7	76%	0.762	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-20.1	179	61.2	0	0	0	0	114.6	G11	G11-S13 PolarHBondContact O-N 3.2Å
14	S	84.1	Confident	74	Confident	22 Å²	22	72.1 Å²	72.1	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-106.2	-10.7	-177.6	-70.1	0	0	0	0	113.8	G11 P12 V16 K17	G11-S14 PolarHBondContact O-N 3.01Å; P12-S14 PolarHBondContact O-N 3.34Å; P12-S14 VanDerWaalsContact O-N 3.14Å; S14-V16 PolarHBondContact O-N 3.38Å; S14-V16 VanDerWaalsContact O-N 3.14Å; S14-K17 WeakPolarHBondContact O-CB 3.48Å; S14-K17 PolarHBondContact O-N 3.37Å
15	W	87.6	Confident	76.7	Confident	22 Å²	22	70.2 Å²	70.2	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-55.2	-37.6	-177.3	-68.4	-8.3	0	0	0	112.3	A7 Y10 P12 K17 Y18 F19 A22 T225 P227 R275	A7-W15 PolarHBondContact O-NE1 3.42Å; Y10-W15 PolarHBondContact O-NE1 3.15Å; Y10-W15 VanDerWaalsContact O-NE1 3.09Å; P12-W15 HydrophobicContact CB-CD2 4.29Å; P12-W15 HydrophobicContact CB-CE3 4.26Å; P12-W15 HydrophobicContact CB-CH2 4.18Å; P12-W15 HydrophobicContact CB-CZ2 4.2Å; P12-W15 HydrophobicContact CB-CZ3 4.2Å; P12-W15 HydrophobicContact CG-CH2 3.87Å; P12-W15 HydrophobicContact CG-CZ2 3.73Å; P12-W15 HydrophobicContact CG-CZ3 4.39Å; P12-W15 PolarHBondContact O-N 2.9Å; W15-K17 PolarHBondContact O-N 2.74Å; W15-Y18 CarbonylContact O-C 3.59Å; W15-Y18 PolarHBondContact O-N 2.89Å; W15-F19 HydrophobicContact CB-CD2 4.4Å; W15-F19 WeakPolarHBondContact O-CD2 3.41Å; W15-F19 PolarHBondContact O-N 3.15Å; W15-A22 HydrophobicContact CB-CB 4.28Å; W15-T225 VanDerWaalsContact CH2-O 3.29Å; W15-T225 WeakPolarHBondContact CH2-O 3.48Å; W15-T225 WeakPolarHBondContact CZ3-O 3.46Å; W15-P227 HydrophobicContact CB-CG 4.28Å; W15-P227 HydrophobicContact CD2-CG 3.49Å; W15-P227 VanDerWaalsContact CD2-CG 3.49Å; W15-P227 HydrophobicContact CE3-CG 3.95Å; W15-P227 HydrophobicContact CG-CG 3.66Å; W15-P227 HydrophobicContact CZ2-CG 4.3Å; W15-R275 HydrophobicContact CH2-CB 4.37Å; W15-R275 HydrophobicContact CH2-CG 4.23Å; W15-R275 HydrophobicContact CZ3-CB 4.35Å; W15-R275 HydrophobicContact CZ3-CG 3.78Å
16	V	86.8	Confident	79.6	Confident	37 Å²	37	67.2 Å²	67.2	22%	0.224	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.8	179.7	75.8	0	0	0	0	115.1	S14 Y18 A22 K23	S14-V16 PolarHBondContact O-N 3.38Å; S14-V16 VanDerWaalsContact O-N 3.14Å; V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 PolarHBondContact O-N 2.68Å; V16-A22 HydrophobicContact CB-CB 4.32Å; V16-K23 HydrophobicContact CG2-CB 3.67Å; V16-K23 HydrophobicContact CG2-CD 3.24Å; V16-K23 HydrophobicContact CG2-CG 3.42Å; V16-K23 VanDerWaalsContact CG2-CG 3.42Å
17	K	88.6	Confident	82.6	Confident	156 Å²	156	66.7 Å²	66.7	68%	0.678	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.6	176.1	-63.2	178	179.9	172.3	0	111.8	S14 W15	S14-K17 WeakPolarHBondContact O-CB 3.48Å; S14-K17 PolarHBondContact O-N 3.37Å; W15-K17 PolarHBondContact O-N 2.74Å
18	Y	88.7	Confident	85	Confident	107 Å²	107	65.6 Å²	65.6	42%	0.42	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-22	-173.8	-55.9	-69.7	0	0	0	112.9	A6 Y10 W15 V16	A6-Y18 HydrophobicContact CB-CD2 4.25Å; A6-Y18 HydrophobicContact CB-CE2 4.48Å; A6-Y18 HydrophobicContact CB-CG 4.41Å; Y10-Y18 HydrophobicContact CD2-CD2 4.5Å; Y10-Y18 AromaticContact CD2-CE2 3.61Å; Y10-Y18 HydrophobicContact CD2-CE2 3.61Å; Y10-Y18 HydrophobicContact CE2-CE2 4.11Å; Y10-Y18 HydrophobicContact CG-CE2 4.07Å; W15-Y18 CarbonylContact O-C 3.59Å; W15-Y18 PolarHBondContact O-N 2.89Å; V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 PolarHBondContact O-N 2.68Å
19	F	91	Very high	87.2	Confident	18 Å²	18	62.1 Å²	62.1	8%	0.079	33%	0.334	C	S	.	.			trans	-133.3	84.6	-176.4	-54	-78.1	0	0	0	108.7	R3 W15 A21 A22 P227 P228	R3-F19 HydrophobicContact CB-CE1 4.16Å; R3-F19 HydrophobicContact CB-CZ 4.01Å; R3-F19 WeakPolarHBondContact O-CZ 3.35Å; W15-F19 HydrophobicContact CB-CD2 4.4Å; W15-F19 WeakPolarHBondContact O-CD2 3.41Å; W15-F19 PolarHBondContact O-N 3.15Å; F19-A21 PolarHBondContact O-N 3.29Å; F19-A21 VanDerWaalsContact O-N 3.08Å; F19-A22 VanDerWaalsContact O-CB 3.23Å; F19-A22 WeakPolarHBondContact O-CB 3.2Å; F19-A22 PolarHBondContact O-N 2.95Å; F19-P227 HydrophobicContact CD1-CB 4.04Å; F19-P227 HydrophobicContact CD2-CB 3.58Å; F19-P227 HydrophobicContact CD2-CG 3.87Å; F19-P227 HydrophobicContact CE1-CB 3.96Å; F19-P227 HydrophobicContact CE2-CB 3.51Å; F19-P227 HydrophobicContact CE2-CG 3.91Å; F19-P227 HydrophobicContact CG-CB 3.83Å; F19-P227 HydrophobicContact CG-CG 4.49Å; F19-P227 HydrophobicContact CZ-CB 3.7Å; F19-P228 HydrophobicContact CD1-CB 3.84Å; F19-P228 HydrophobicContact CE1-CB 4.43Å
20	P	92.2	Very high	89.3	Confident	102 Å²	102	57.2 Å²	57.2	66%	0.662	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.5	-28.2	-174.5	-28.6	36.3	0	0	0	114.5	A22 K23	P20-A22 PolarHBondContact O-N 2.76Å; P20-A22 VanDerWaalsContact O-N 3.15Å; P20-K23 WeakPolarHBondContact O-CB 3.45Å; P20-K23 PolarHBondContact O-N 3.2Å
21	A	93.4	Very high	91	Very high	42 Å²	42	55.1 Å²	55.1	35%	0.347	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59.9	-22.1	175.8	0	0	0	0	0	113.1	F19 K23 G24 Q27	F19-A21 PolarHBondContact O-N 3.29Å; F19-A21 VanDerWaalsContact O-N 3.08Å; A21-K23 PolarHBondContact O-N 2.76Å; A21-G24 PolarHBondContact O-N 3.43Å; A21-Q27 VanDerWaalsContact O-CD 3.24Å; A21-Q27 PolarHBondContact O-NE2 3.08Å
22	A	93.8	Very high	92.2	Very high	12 Å²	12	53.6 Å²	53.6	10%	0.099	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.1	-12.9	173.5	0	0	0	0	0	114	W15 V16 F19 P20 C229 R275	W15-A22 HydrophobicContact CB-CB 4.28Å; V16-A22 HydrophobicContact CB-CB 4.32Å; F19-A22 VanDerWaalsContact O-CB 3.23Å; F19-A22 WeakPolarHBondContact O-CB 3.2Å; F19-A22 PolarHBondContact O-N 2.95Å; P20-A22 PolarHBondContact O-N 2.76Å; P20-A22 VanDerWaalsContact O-N 3.15Å; A22-C229 HydrophobicContact CB-CB 3.91Å; A22-R275 PolarHBondContact O-NH2 3Å
23	K	93.8	Very high	93	Very high	159 Å²	159	52.7 Å²	52.7	69%	0.691	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-98.5	6.2	175	-117.5	169.7	-157.5	170	0	113.8	V16 P20 A21	V16-K23 HydrophobicContact CG2-CB 3.67Å; V16-K23 HydrophobicContact CG2-CD 3.24Å; V16-K23 HydrophobicContact CG2-CG 3.42Å; V16-K23 VanDerWaalsContact CG2-CG 3.42Å; P20-K23 WeakPolarHBondContact O-CB 3.45Å; P20-K23 PolarHBondContact O-N 3.2Å; A21-K23 PolarHBondContact O-N 2.76Å
24	G	95.2	Very high	93.5	Very high	24 Å²	24	49.4 Å²	49.4	25%	0.247	26%	0.263	C	S	.	.			trans	-64.6	168.6	-178	0	0	0	0	0	113.6	A21 Q27 E231	A21-G24 PolarHBondContact O-N 3.43Å; G24-Q27 VanDerWaalsContact O-CG 3.31Å; G24-Q27 WeakPolarHBondContact O-CG 3.46Å; G24-E231 WeakPolarHBondContact CA-OE1 3.11Å
25	N	96.9	Very high	93.6	Very high	115 Å²	115	53 Å²	53	62%	0.615	29%	0.288	S	S	*	.	S	Bend	trans	-92	-5	-176.8	-69.2	-26.6	0	0	0	113.5	E231 N281	N25-E231 PolarHBondContact N-OE1 2.8Å; N25-N281 VanDerWaalsContact C-ND2 3.35Å; N25-N281 WeakPolarHBondContact CA-ND2 3.41Å; N25-N281 WeakPolarHBondContact O-CB 3.3Å; N25-N281 PolarHBondContact O-ND2 3.09Å
26	R	97.5	Very high	93.9	Very high	82 Å²	82	58.6 Å²	58.6	31%	0.309	32%	0.315	S	S	.	.	S	Bend	trans	-123.6	43.8	177.4	-54.4	-176	-70.9	-168.8	-3.3	111.1	E221 G222 S223 E231 R283	R26-E221 IonicContact NH1-OE2 3.62Å; R26-E221 PolarHBondContact NH1-OE2 3.34Å; R26-G222 CarbonylContact O-C 3.09Å; R26-G222 WeakPolarHBondContact O-CA 3.05Å; R26-S223 PolarHBondContact O-N 2.86Å; R26-S223 VanDerWaalsContact O-N 3.16Å; R26-E231 WeakPolarHBondContact CA-OE1 2.92Å; R26-E231 HydrophobicContact CB-CB 4.41Å; R26-E231 HydrophobicContact CB-CG 4.09Å; R26-E231 IonicContact CZ-OE2 3.68Å; R26-E231 PolarHBondContact N-OE1 2.83Å; R26-E231 IonicContact NE-OE2 3Å; R26-E231 PolarHBondContact NE-OE2 3.1Å; R26-E231 IonicContact NH2-OE2 3.42Å; R26-E231 PolarHBondContact NH2-OE2 3.34Å; R26-R283 VanDerWaalsContact C-NH1 3.26Å; R26-R283 HydrophobicContact CG-CG 4.15Å; R26-R283 PolarHBondContact O-NH1 2.87Å
27	Q	98.2	Very high	94.3	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.014	31%	0.31	C	S	.	.			trans	-77.2	154.1	178.7	-66.9	-67.6	-69.3	0	0	112.4	A21 G24 S223 C229 Q278 R283	A21-Q27 VanDerWaalsContact O-CD 3.24Å; A21-Q27 PolarHBondContact O-NE2 3.08Å; G24-Q27 VanDerWaalsContact O-CG 3.31Å; G24-Q27 WeakPolarHBondContact O-CG 3.46Å; Q27-S223 WeakPolarHBondContact CA-OG 3.49Å; Q27-S223 PolarHBondContact NE2-OG 3.05Å; Q27-S223 PolarHBondContact OE1-OG 2.98Å; Q27-C229 PolarHBondContact NE2-O 2.67Å; Q27-Q278 HydrophobicContact CB-CB 3.79Å; Q27-Q278 HydrophobicContact CB-CG 3.77Å; Q27-R283 VanDerWaalsContact O-CZ 3.29Å; Q27-R283 PolarHBondContact O-NH1 2.99Å; Q27-R283 PolarHBondContact O-NH2 2.98Å
28	S	98.7	Very high	94.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-125.3	154.8	176.8	-63.1	0	0	0	0	110.2	Y220 G222 S223 W235 R275	S28-Y220 WeakPolarHBondContact CB-OH 3.5Å; S28-Y220 PolarHBondContact OG-OH 2.65Å; S28-G222 WeakPolarHBondContact OG-CA 3.21Å; S28-S223 WeakPolarHBondContact CB-O 3.36Å; S28-S223 PolarHBondContact N-OG 2.6Å; S28-S223 PolarHBondContact OG-N 2.79Å; S28-S223 VanDerWaalsContact OG-N 3.07Å; S28-W235 PolarHBondContact OG-NE1 2.77Å; S28-R275 VanDerWaalsContact O-CD 3.22Å; S28-R275 WeakPolarHBondContact O-CD 3.42Å; S28-R275 PolarHBondContact O-NH1 3.42Å
29	P	98.5	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.			cis	-78.3	175	1.8	36.5	-40.4	0	0	0	112.9	E117 R275 Q278	P29-E117 HydrophobicContact CB-CB 3.76Å; P29-E117 VanDerWaalsContact CB-O 3.23Å; P29-E117 WeakPolarHBondContact CB-O 3.4Å; P29-E117 HydrophobicContact CG-CB 3.74Å; P29-E117 WeakPolarHBondContact CG-O 3.48Å; P29-R275 WeakPolarHBondContact CG-O 3.49Å; P29-Q278 WeakPolarHBondContact O-CB 3.5Å; P29-Q278 PolarHBondContact O-N 3.02Å
30	I	98.6	Very high	95.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.			trans	-129.4	161.5	176.2	60.8	168.5	0	0	0	111.5	I32 V119 Y220 L280 R283 V285	I30-I32 HydrophobicContact CD1-CG1 4.05Å; I30-I32 HydrophobicContact CG1-CG1 4Å; I30-V119 PolarHBondContact O-N 3.5Å; I30-Y220 HydrophobicContact CD1-CD1 3.95Å; I30-Y220 HydrophobicContact CD1-CD2 3.92Å; I30-Y220 HydrophobicContact CD1-CE1 3.83Å; I30-Y220 HydrophobicContact CD1-CE2 3.83Å; I30-Y220 HydrophobicContact CD1-CG 4Å; I30-Y220 HydrophobicContact CG1-CE1 3.99Å; I30-Y220 HydrophobicContact CG1-CE2 4.13Å; I30-Y220 HydrophobicContact CG2-CE2 4.31Å; I30-L280 HydrophobicContact CD1-CD1 3.73Å; I30-R283 VanDerWaalsContact CG2-NH2 3.32Å; I30-V285 HydrophobicContact CD1-CG2 3.61Å
31	D	98.2	Very high	95.4	Very high	60 Å²	60	54.2 Å²	54.2	32%	0.321	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.4	162.7	-179.3	9.5	0	0	0	109.1	V119 G121 G122 V277	D31-V119 WeakPolarHBondContact CA-O 3.43Å; D31-V119 HydrophobicContact CB-CG2 3.55Å; D31-G121 WeakPolarHBondContact OD1-CA 3.45Å; D31-G121 PolarHBondContact OD1-N 3.35Å; D31-G122 PolarHBondContact OD1-N 2.01Å; D31-G122 PolarHBondContact OD2-N 3.23Å; D31-V277 HydrophobicContact CB-CG1 4.04Å
32	I	97.8	Very high	95.5	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.4	177.7	-58.5	175.3	0	0	0	108.5	I30 A34 V119 I120 G121 W218 V237 V285	I30-I32 HydrophobicContact CD1-CG1 4.05Å; I30-I32 HydrophobicContact CG1-CG1 4Å; I32-A34 PolarHBondContact O-N 3.36Å; I32-V119 PolarHBondContact N-O 2.8Å; I32-I120 HydrophobicContact CB-CD1 3.83Å; I32-I120 HydrophobicContact CD1-CD1 4.25Å; I32-I120 HydrophobicContact CG1-CD1 4.45Å; I32-I120 HydrophobicContact CG2-CD1 4.44Å; I32-I120 WeakPolarHBondContact O-CA 3.4Å; I32-G121 PolarHBondContact O-N 2.92Å; I32-G121 VanDerWaalsContact O-N 3.1Å; I32-W218 HydrophobicContact CD1-CB 4.16Å; I32-W218 HydrophobicContact CD1-CD2 4.33Å; I32-W218 HydrophobicContact CD1-CE3 4.23Å; I32-W218 HydrophobicContact CD1-CG 4.34Å; I32-W218 HydrophobicContact CG2-CD2 3.72Å; I32-W218 HydrophobicContact CG2-CE3 4.35Å; I32-W218 HydrophobicContact CG2-CG 3.8Å; I32-W218 HydrophobicContact CG2-CZ2 4.14Å; I32-V237 HydrophobicContact CD1-CB 3.89Å; I32-V237 HydrophobicContact CD1-CG1 3.99Å; I32-V237 HydrophobicContact CD1-CG2 3.88Å; I32-V285 HydrophobicContact CG2-CG1 4.18Å
33	C	94.4	Very high	95.7	Very high	36 Å²	36	55.5 Å²	55.5	24%	0.243	31%	0.306	C	S	.	.			trans	-85.6	108.7	172.2	-169.4	0	0	0	0	110	S35 Q36 A37	C33-S35 PolarHBondContact O-N 2.94Å; C33-S35 VanDerWaalsContact O-N 3.12Å; C33-S35 PolarHBondContact SG-OG 3.36Å; C33-Q36 HydrophobicContact CB-CB 4.07Å; C33-Q36 HydrophobicContact CB-CG 3.95Å; C33-Q36 PolarHBondContact O-N 3.09Å; C33-A37 PolarHBondContact O-N 2.81Å
34	A	88.7	Confident	95.6	Very high	40 Å²	40	49.8 Å²	49.8	33%	0.331	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.5	-176.1	0	0	0	0	0	114	I32 Q36 W218 A291	I32-A34 PolarHBondContact O-N 3.36Å; A34-Q36 VanDerWaalsContact C-N 3.33Å; A34-W218 HydrophobicContact CB-CZ2 4.3Å; A34-A291 WeakPolarHBondContact O-CB 3.32Å
35	S	87.9	Confident	95.4	Very high	98 Å²	98	51.2 Å²	51.2	69%	0.685	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.6	176.6	58.5	0	0	0	0	114.1	C33	C33-S35 PolarHBondContact O-N 2.94Å; C33-S35 VanDerWaalsContact O-N 3.12Å; C33-S35 PolarHBondContact SG-OG 3.36Å
36	Q	92.4	Very high	95.2	Very high	138 Å²	138	45.7 Å²	45.7	65%	0.645	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-19.8	176.6	-61.5	179.8	-3.3	0	0	112.5	C33 A34	C33-Q36 HydrophobicContact CB-CB 4.07Å; C33-Q36 HydrophobicContact CB-CG 3.95Å; C33-Q36 PolarHBondContact O-N 3.09Å; A34-Q36 VanDerWaalsContact C-N 3.33Å
37	A	95.2	Very high	95	Very high	15 Å²	15	46.8 Å²	46.8	12%	0.124	28%	0.277	C	S	.	.	S	Bend	trans	-63.8	134.4	175.2	0	0	0	0	0	110.6	C33 V285 A287	C33-A37 PolarHBondContact O-N 2.81Å; A37-V285 WeakPolarHBondContact CA-O 3.45Å; A37-V285 HydrophobicContact CB-CB 4.46Å; A37-V285 HydrophobicContact CB-CG1 4.34Å; A37-A287 HydrophobicContact CB-CB 4.1Å
38	Q	96.4	Very high	94.9	Very high	117 Å²	117	47.9 Å²	47.9	55%	0.547	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.9	-178.8	-66	-175.3	2.2	0	0	109.5	D40 T284 V285 R286 A287	Q38-D40 PolarHBondContact O-N 2.83Å; Q38-T284 HydrophobicContact CB-CG2 4.06Å; Q38-T284 VanDerWaalsContact CD-CG2 3.43Å; Q38-T284 HydrophobicContact CG-CG2 3.85Å; Q38-V285 PolarHBondContact N-O 2.87Å; Q38-R286 CarbonylContact O-C 3.52Å; Q38-R286 VanDerWaalsContact O-CA 3.31Å; Q38-R286 WeakPolarHBondContact O-CA 3.41Å; Q38-A287 PolarHBondContact O-N 3.01Å
39	F	96.3	Very high	94.7	Very high	69 Å²	69	52 Å²	52	30%	0.303	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	122.6	171.3	172.7	-117	0	0	0	110	P41 A287 F289 R290	F39-P41 HydrophobicContact CE1-CB 3.84Å; F39-P41 HydrophobicContact CE1-CG 4.27Å; F39-P41 HydrophobicContact CZ-CB 3.82Å; F39-A287 WeakPolarHBondContact CA-O 2.97Å; F39-F289 VanDerWaalsContact CD2-O 3.28Å; F39-F289 WeakPolarHBondContact CD2-O 3.27Å; F39-R290 HydrophobicContact CB-CG 4.46Å; F39-R290 HydrophobicContact CD1-CG 3.8Å; F39-R290 HydrophobicContact CD2-CG 4.02Å; F39-R290 HydrophobicContact CE1-CG 3.98Å; F39-R290 VanDerWaalsContact CE1-CZ 3.5Å; F39-R290 HydrophobicContact CE2-CG 4.17Å; F39-R290 HydrophobicContact CG-CG 3.8Å; F39-R290 HydrophobicContact CZ-CG 4.15Å
40	D	96.7	Very high	94.5	Very high	34 Å²	34	53.3 Å²	53.3	18%	0.182	31%	0.307	C	S	.	.			trans	-118.2	102	177.2	-178.8	-8.1	0	0	0	109.1	Q38 S42 L43 R286 A287	Q38-D40 PolarHBondContact O-N 2.83Å; D40-S42 VanDerWaalsContact CG-OG 3.25Å; D40-S42 PolarHBondContact O-N 2.86Å; D40-S42 VanDerWaalsContact O-N 3.15Å; D40-S42 VanDerWaalsContact OD1-CB 3.3Å; D40-S42 WeakPolarHBondContact OD1-CB 3.39Å; D40-S42 PolarHBondContact OD1-N 2.9Å; D40-S42 PolarHBondContact OD1-OG 2.85Å; D40-S42 PolarHBondContact OD2-OG 3.14Å; D40-L43 HydrophobicContact CB-CD1 3.93Å; D40-L43 HydrophobicContact CB-CG 3.91Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 3.11Å; D40-L43 VanDerWaalsContact O-N 3.1Å; D40-R286 HydrophobicContact CB-CB 4.2Å; D40-R286 WeakPolarHBondContact OD2-CD 3.35Å; D40-R286 IonicContact OD2-CZ 3.78Å; D40-R286 IonicContact OD2-NE 3.84Å; D40-R286 IonicContact OD2-NH1 3.71Å; D40-R286 PolarHBondContact OD2-NH1 3.22Å; D40-A287 PolarHBondContact N-O 3.03Å
41	P	95	Very high	94.2	Very high	94 Å²	94	55.9 Å²	55.9	61%	0.61	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-65	-18.3	-177.5	26.5	-34.3	0	0	0	113.2	F39 L43 G44	F39-P41 HydrophobicContact CE1-CB 3.84Å; F39-P41 HydrophobicContact CE1-CG 4.27Å; F39-P41 HydrophobicContact CZ-CB 3.82Å; P41-L43 PolarHBondContact O-N 3.36Å; P41-G44 PolarHBondContact O-N 3.43Å
42	S	96.2	Very high	93.9	Very high	80 Å²	80	53.1 Å²	53.1	56%	0.559	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.6	-18.7	176.5	74.2	0	0	0	0	112.7	D40 N93	D40-S42 VanDerWaalsContact CG-OG 3.25Å; D40-S42 PolarHBondContact O-N 2.86Å; D40-S42 VanDerWaalsContact O-N 3.15Å; D40-S42 VanDerWaalsContact OD1-CB 3.3Å; D40-S42 WeakPolarHBondContact OD1-CB 3.39Å; D40-S42 PolarHBondContact OD1-N 2.9Å; D40-S42 PolarHBondContact OD1-OG 2.85Å; D40-S42 PolarHBondContact OD2-OG 3.14Å; S42-N93 PolarHBondContact O-ND2 3.35Å
43	L	97.1	Very high	93.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-68	-34.4	175.9	-65.3	-179.6	0	0	0	112.1	D40 P41 D45 G46 N93 Y94 F217 T219 R286	D40-L43 HydrophobicContact CB-CD1 3.93Å; D40-L43 HydrophobicContact CB-CG 3.91Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 3.11Å; D40-L43 VanDerWaalsContact O-N 3.1Å; P41-L43 PolarHBondContact O-N 3.36Å; L43-D45 PolarHBondContact O-N 2.9Å; L43-G46 VanDerWaalsContact O-CA 3.29Å; L43-G46 WeakPolarHBondContact O-CA 3.46Å; L43-G46 PolarHBondContact O-N 2.93Å; L43-N93 PolarHBondContact O-ND2 3.2Å; L43-N93 PolarHBondContact O-OD1 2.79Å; L43-Y94 VanDerWaalsContact CD2-CB 3.47Å; L43-Y94 HydrophobicContact CD2-CD1 3.83Å; L43-Y94 HydrophobicContact CD2-CG 3.75Å; L43-F217 HydrophobicContact CB-CZ 4.08Å; L43-F217 HydrophobicContact CD1-CE2 4.17Å; L43-F217 HydrophobicContact CD1-CZ 4.45Å; L43-F217 HydrophobicContact CD2-CE2 4.34Å; L43-F217 HydrophobicContact CD2-CZ 4.38Å; L43-T219 HydrophobicContact CD1-CG2 3.96Å; L43-T219 HydrophobicContact CD2-CG2 4.01Å; L43-R286 HydrophobicContact CD1-CB 3.97Å
44	G	92.4	Very high	93	Very high	39 Å²	39	57.4 Å²	57.4	40%	0.402	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-135.4	-174	0	0	0	0	0	111.8	P41 S288	P41-G44 PolarHBondContact O-N 3.43Å; G44-S288 VanDerWaalsContact O-CB 3.3Å; G44-S288 WeakPolarHBondContact O-CB 3.29Å
45	D	90.5	Very high	92.8	Very high	54 Å²	54	59.8 Å²	59.8	29%	0.289	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.8	169.3	75.9	-23.4	0	0	0	112.6	L43 N47 F48 R215	L43-D45 PolarHBondContact O-N 2.9Å; D45-N47 PolarHBondContact O-N 3.12Å; D45-N47 PolarHBondContact OD1-N 2.85Å; D45-F48 WeakPolarHBondContact O-CD2 3.39Å; D45-F48 VanDerWaalsContact O-CE2 3.24Å; D45-F48 WeakPolarHBondContact O-CE2 3.42Å; D45-R215 HydrophobicContact CB-CB 4Å; D45-R215 WeakPolarHBondContact OD2-CD 3.27Å; D45-R215 IonicContact OD2-CZ 3.45Å; D45-R215 IonicContact OD2-NE 3.7Å; D45-R215 IonicContact OD2-NH1 3.45Å; D45-R215 PolarHBondContact OD2-NH1 3.47Å
46	G	92.6	Very high	92.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-17	-173.9	0	0	0	0	0	114.1	L43 F48 A92 N93	L43-G46 VanDerWaalsContact O-CA 3.29Å; L43-G46 WeakPolarHBondContact O-CA 3.46Å; L43-G46 PolarHBondContact O-N 2.93Å; G46-F48 PolarHBondContact O-N 3.31Å; G46-A92 CarbonylContact O-C 3.17Å; G46-A92 VanDerWaalsContact O-CA 3.31Å; G46-A92 WeakPolarHBondContact O-CA 3.32Å; G46-A92 WeakPolarHBondContact O-CB 3.24Å; G46-N93 WeakPolarHBondContact CA-OD1 3.25Å; G46-N93 PolarHBondContact O-N 2.95Å; G46-N93 PolarHBondContact O-OD1 2.91Å
47	N	94.2	Very high	92.3	Very high	105 Å²	105	48.8 Å²	48.8	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	46.3	-169.2	-63.1	-73	0	0	0	111.6	D45 E49 N93	D45-N47 PolarHBondContact O-N 3.12Å; D45-N47 PolarHBondContact OD1-N 2.85Å; N47-E49 PolarHBondContact O-N 3.08Å; N47-N93 HydrophobicContact CB-CB 4.36Å; N47-N93 PolarHBondContact ND2-ND2 2.74Å
48	F	95.3	Very high	91.8	Very high	26 Å²	26	50.1 Å²	50.1	11%	0.114	27%	0.271	C	S	.	.			trans	-63.8	131.1	-176.5	-64.7	-86.4	0	0	0	110.9	D45 G46 F50 L90 T91 A92 Y94 L154 F217 T236 F238	D45-F48 WeakPolarHBondContact O-CD2 3.39Å; D45-F48 VanDerWaalsContact O-CE2 3.24Å; D45-F48 WeakPolarHBondContact O-CE2 3.42Å; G46-F48 PolarHBondContact O-N 3.31Å; F48-F50 HydrophobicContact CB-CD2 4Å; F48-F50 HydrophobicContact CB-CE2 3.28Å; F48-F50 HydrophobicContact CB-CZ 3.68Å; F48-F50 HydrophobicContact CD1-CE2 4.37Å; F48-F50 AromaticContact CD1-CZ 3.87Å; F48-F50 HydrophobicContact CD1-CZ 3.87Å; F48-F50 AromaticContact CG-CE2 3.97Å; F48-F50 HydrophobicContact CG-CE2 3.97Å; F48-F50 AromaticContact CG-CZ 3.9Å; F48-F50 HydrophobicContact CG-CZ 3.9Å; F48-L90 HydrophobicContact CD1-CD1 4.17Å; F48-T91 CarbonylContact C-O 3.58Å; F48-T91 WeakPolarHBondContact CA-O 3.46Å; F48-A92 HydrophobicContact CD1-CB 3.75Å; F48-A92 HydrophobicContact CE1-CB 3.94Å; F48-A92 HydrophobicContact CG-CB 4.43Å; F48-Y94 HydrophobicContact CE1-CE1 4.14Å; F48-Y94 WeakPolarHBondContact CE1-OH 3.41Å; F48-Y94 HydrophobicContact CZ-CE1 4.02Å; F48-Y94 WeakPolarHBondContact CZ-OH 3.44Å; F48-L154 HydrophobicContact CE1-CD2 4.3Å; F48-F217 AromaticContact CE2-CD1 3.74Å; F48-F217 HydrophobicContact CE2-CD1 3.74Å; F48-F217 AromaticContact CE2-CE1 3.64Å; F48-F217 HydrophobicContact CE2-CE1 3.64Å; F48-F217 HydrophobicContact CE2-CZ 4.39Å; F48-F217 AromaticContact CZ-CD1 3.85Å; F48-F217 HydrophobicContact CZ-CD1 3.85Å; F48-F217 AromaticContact CZ-CE1 3.82Å; F48-F217 HydrophobicContact CZ-CE1 3.82Å; F48-F217 HydrophobicContact CZ-CG 4.3Å; F48-F217 HydrophobicContact CZ-CZ 4.22Å; F48-T236 HydrophobicContact CE1-CG2 4.13Å; F48-T236 HydrophobicContact CZ-CG2 3.81Å; F48-F238 HydrophobicContact CE2-CE1 4.23Å; F48-F238 HydrophobicContact CE2-CZ 4.43Å; F48-F238 HydrophobicContact CZ-CE1 4.32Å; F48-F238 HydrophobicContact CZ-CZ 4.2Å
49	E	94.8	Very high	91.7	Very high	87 Å²	87	48.1 Å²	48.1	41%	0.407	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.6	167.6	-166.9	-171.3	154.9	0	0	108.3	N47 R51 L90 T91	N47-E49 PolarHBondContact O-N 3.08Å; E49-R51 IonicContact OE1-CZ 3.09Å; E49-R51 IonicContact OE1-NE 2.94Å; E49-R51 PolarHBondContact OE1-NE 3.4Å; E49-R51 IonicContact OE1-NH2 3.76Å; E49-R51 PolarHBondContact OE1-NH2 3.4Å; E49-R51 IonicContact OE2-NH2 2.68Å; E49-L90 WeakPolarHBondContact O-CA 3.5Å; E49-T91 WeakPolarHBondContact CB-OG1 3.43Å; E49-T91 PolarHBondContact N-O 3.27Å; E49-T91 PolarHBondContact O-N 2.89Å; E49-T91 VanDerWaalsContact O-N 3.09Å
50	F	94.1	Very high	91.7	Very high	27 Å²	27	44.8 Å²	44.8	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.6	177.7	-57.9	-85.1	0	0	0	109.3	F48 Y52 L90 L154 I197 F200	F48-F50 HydrophobicContact CB-CD2 4Å; F48-F50 HydrophobicContact CB-CE2 3.28Å; F48-F50 HydrophobicContact CB-CZ 3.68Å; F48-F50 HydrophobicContact CD1-CE2 4.37Å; F48-F50 AromaticContact CD1-CZ 3.87Å; F48-F50 HydrophobicContact CD1-CZ 3.87Å; F48-F50 AromaticContact CG-CE2 3.97Å; F48-F50 HydrophobicContact CG-CE2 3.97Å; F48-F50 AromaticContact CG-CZ 3.9Å; F48-F50 HydrophobicContact CG-CZ 3.9Å; F50-Y52 HydrophobicContact CB-CD2 4.33Å; F50-Y52 HydrophobicContact CB-CE2 4.37Å; F50-Y52 HydrophobicContact CB-CG 4.42Å; F50-Y52 HydrophobicContact CD1-CD2 4.29Å; F50-Y52 HydrophobicContact CD1-CE1 4.48Å; F50-Y52 AromaticContact CD1-CE2 3.59Å; F50-Y52 HydrophobicContact CD1-CE2 3.59Å; F50-Y52 AromaticContact CD1-CZ 3.67Å; F50-Y52 HydrophobicContact CE1-CE2 4.35Å; F50-Y52 HydrophobicContact CG-CE2 4.4Å; F50-L90 HydrophobicContact CD1-CD1 3.68Å; F50-L90 HydrophobicContact CE1-CD1 3.44Å; F50-L90 VanDerWaalsContact CE1-CD1 3.44Å; F50-L90 HydrophobicContact CZ-CD1 4.15Å; F50-L154 HydrophobicContact CE1-CD1 3.64Å; F50-L154 HydrophobicContact CZ-CD1 4.24Å; F50-I197 HydrophobicContact CD1-CD1 3.84Å; F50-I197 HydrophobicContact CE1-CD1 3.64Å; F50-I197 HydrophobicContact CE2-CD1 4.5Å; F50-I197 HydrophobicContact CE2-CG2 4.45Å; F50-I197 HydrophobicContact CG-CD1 4.35Å; F50-I197 HydrophobicContact CZ-CD1 4Å; F50-I197 HydrophobicContact CZ-CG2 4.14Å; F50-F200 AromaticContact CD2-CE2 3.39Å; F50-F200 HydrophobicContact CD2-CE2 3.39Å; F50-F200 AromaticContact CD2-CZ 3.72Å; F50-F200 HydrophobicContact CD2-CZ 3.72Å; F50-F200 AromaticContact CE2-CE2 3.66Å; F50-F200 HydrophobicContact CE2-CE2 3.66Å; F50-F200 HydrophobicContact CE2-CZ 4.29Å; F50-F200 HydrophobicContact CG-CE2 4.14Å
51	R	92.6	Very high	91.8	Very high	54 Å²	54	44.1 Å²	44.1	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	60	173	-59	-169.7	-164.3	131.1	2.9	110.3	E49 R83 S84 L88 A89	E49-R51 IonicContact OE1-CZ 3.09Å; E49-R51 IonicContact OE1-NE 2.94Å; E49-R51 PolarHBondContact OE1-NE 3.4Å; E49-R51 IonicContact OE1-NH2 3.76Å; E49-R51 PolarHBondContact OE1-NH2 3.4Å; E49-R51 IonicContact OE2-NH2 2.68Å; R51-R83 PolarHBondContact NH1-O 2.92Å; R51-S84 PolarHBondContact NE-O 3.06Å; R51-S84 PolarHBondContact NH1-O 2.84Å; R51-L88 WeakPolarHBondContact O-CA 3.44Å; R51-L88 PolarHBondContact O-N 3.36Å; R51-A89 HydrophobicContact CB-CB 4.24Å; R51-A89 HydrophobicContact CG-CB 4.41Å; R51-A89 PolarHBondContact N-O 3.11Å
52	Y	92	Very high	91.9	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.216	C	C	.	.			trans	-106.1	121.5	-179.7	-55	-11.2	0	0	0	108.9	F50 L88 A89 L101 L131 H133 K194 I197	F50-Y52 HydrophobicContact CB-CD2 4.33Å; F50-Y52 HydrophobicContact CB-CE2 4.37Å; F50-Y52 HydrophobicContact CB-CG 4.42Å; F50-Y52 HydrophobicContact CD1-CD2 4.29Å; F50-Y52 HydrophobicContact CD1-CE1 4.48Å; F50-Y52 AromaticContact CD1-CE2 3.59Å; F50-Y52 HydrophobicContact CD1-CE2 3.59Å; F50-Y52 AromaticContact CD1-CZ 3.67Å; F50-Y52 HydrophobicContact CE1-CE2 4.35Å; F50-Y52 HydrophobicContact CG-CE2 4.4Å; Y52-L88 HydrophobicContact CD1-CD2 4.39Å; Y52-L88 WeakPolarHBondContact CE1-O 3.46Å; Y52-A89 WeakPolarHBondContact CE1-O 3.31Å; Y52-L101 HydrophobicContact CD1-CD2 4.47Å; Y52-L101 HydrophobicContact CD2-CD2 4.23Å; Y52-L101 HydrophobicContact CE1-CB 4.09Å; Y52-L101 HydrophobicContact CE1-CD2 4.35Å; Y52-L101 HydrophobicContact CE2-CD2 4.02Å; Y52-L101 HydrophobicContact CG-CD2 4.48Å; Y52-L131 HydrophobicContact CE2-CD2 4.27Å; Y52-H133 AromaticContact CZ-NE2 3.64Å; Y52-H133 PolarHBondContact OH-CD2 3.22Å; Y52-H133 PolarHBondContact OH-NE2 2.93Å; Y52-K194 HydrophobicContact CD2-CG 4.31Å; Y52-K194 PolarHBondContact O-NZ 2.84Å; Y52-I197 HydrophobicContact CD2-CD1 4.33Å; Y52-I197 HydrophobicContact CE2-CD1 4.05Å
53	E	88.1	Confident	91.9	Very high	107 Å²	107	37.9 Å²	37.9	50%	0.5	20%	0.201	S	C	.	.			trans	-102.7	151.8	169.9	-57.5	-55.1	149.7	0	0	109.7	E55 D56	E53-E55 PolarHBondContact O-N 3.02Å; E53-D56 PolarHBondContact N-OD2 2.91Å; E53-D56 WeakPolarHBondContact O-CB 3.41Å; E53-D56 PolarHBondContact O-N 3.08Å
54	A	83.8	Confident	91.8	Very high	21 Å²	21	38 Å²	38	17%	0.174	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59	-33.8	-177.9	0	0	0	0	0	111.6	D56	A54-D56 VanDerWaalsContact C-N 3.25Å; A54-D56 PolarHBondContact O-N 3.04Å
55	E	84.8	Confident	91.8	Very high	89 Å²	89	39 Å²	39	42%	0.416	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-70.3	-15.6	178.2	-67.5	76.3	-169.1	0	0	114.4	E53 C57 Q74 Q189	E53-E55 PolarHBondContact O-N 3.02Å; E55-C57 PolarHBondContact O-N 2.99Å; E55-Q74 HydrophobicContact CB-CG 3.99Å; E55-Q74 WeakPolarHBondContact O-CG 3.22Å; E55-Q74 PolarHBondContact O-NE2 2.75Å; E55-Q189 HydrophobicContact CG-CG 4.44Å; E55-Q189 PolarHBondContact OE1-NE2 3.33Å
56	D	84.5	Confident	92.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-72.9	-18.5	-179	-65.8	-45.6	0	0	0	112.5	E53 A54 T71 V72 Q74 L88	E53-D56 PolarHBondContact N-OD2 2.91Å; E53-D56 WeakPolarHBondContact O-CB 3.41Å; E53-D56 PolarHBondContact O-N 3.08Å; A54-D56 VanDerWaalsContact C-N 3.25Å; A54-D56 PolarHBondContact O-N 3.04Å; D56-T71 CarbonylContact O-C 3.54Å; D56-T71 VanDerWaalsContact O-CA 3.27Å; D56-T71 WeakPolarHBondContact O-CA 3.33Å; D56-V72 PolarHBondContact O-N 3.21Å; D56-Q74 PolarHBondContact OD1-N 2.94Å; D56-Q74 VanDerWaalsContact OD1-N 3.15Å; D56-L88 HydrophobicContact CB-CD1 4.38Å; D56-L88 HydrophobicContact CB-CD2 3.37Å; D56-L88 HydrophobicContact CB-CG 3.93Å
57	C	84.9	Confident	92.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.034	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	105.1	-179.8	-67.5	0	0	0	0	110.5	E55 I69 I187 V193	E55-C57 PolarHBondContact O-N 2.99Å; C57-I69 HydrophobicContact CB-CG2 3.76Å; C57-I187 HydrophobicContact CB-CD1 4.13Å; C57-V193 HydrophobicContact CB-CG1 3.42Å; C57-V193 VanDerWaalsContact CB-CG1 3.42Å; C57-V193 WeakPolarHBondContact SG-CG1 3.38Å
58	V	86.1	Confident	92.6	Very high	43 Å²	43	34.4 Å²	34.4	26%	0.261	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-43.3	-161.7	-178.8	0	0	0	0	112.6	T70 V72 R186 I187	V58-T70 PolarHBondContact N-O 3.22Å; V58-V72 HydrophobicContact CB-CG2 4.37Å; V58-V72 HydrophobicContact CG2-CB 3.79Å; V58-V72 HydrophobicContact CG2-CG2 3.73Å; V58-R186 WeakPolarHBondContact O-CA 3.35Å; V58-R186 VanDerWaalsContact O-CG 3.29Å; V58-R186 WeakPolarHBondContact O-CG 3.49Å; V58-I187 PolarHBondContact O-N 2.81Å
59	E	93.8	Very high	92.6	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.7	-170	65.1	-176.7	-161.5	0	0	111.7	I69 T70 T184 E185	E59-I69 WeakPolarHBondContact O-CA 3.5Å; E59-T70 PolarHBondContact O-N 3.1Å; E59-T70 VanDerWaalsContact O-N 3.07Å; E59-T184 HydrophobicContact CB-CG2 3.73Å; E59-T184 VanDerWaalsContact CD-CG2 3.48Å; E59-T184 HydrophobicContact CG-CG2 3.88Å; E59-T184 WeakPolarHBondContact OE2-CG2 3.25Å; E59-E185 CarbonylContact C-O 3.56Å; E59-E185 WeakPolarHBondContact CA-O 3.13Å
60	V	96.8	Very high	92.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.1	167.6	-163.1	0	0	0	0	108	W67 Q68 I69 L171 T174 I175 I178 T184 E185 I187	V60-W67 HydrophobicContact CG1-CB 4Å; V60-W67 HydrophobicContact CG1-CE3 4.3Å; V60-Q68 CarbonylContact C-O 3.57Å; V60-Q68 WeakPolarHBondContact CA-O 3.39Å; V60-I69 HydrophobicContact CG2-CG1 4.2Å; V60-L171 HydrophobicContact CG2-CD1 3.75Å; V60-T174 HydrophobicContact CB-CG2 4.17Å; V60-T174 HydrophobicContact CG2-CG2 3.59Å; V60-I175 HydrophobicContact CG1-CG1 4.17Å; V60-I178 HydrophobicContact CB-CD1 3.98Å; V60-I178 HydrophobicContact CG1-CD1 3.51Å; V60-T184 CarbonylContact O-C 3.53Å; V60-T184 VanDerWaalsContact O-CA 3.29Å; V60-T184 WeakPolarHBondContact O-CA 3.31Å; V60-E185 PolarHBondContact N-O 2.9Å; V60-E185 PolarHBondContact O-N 2.87Å; V60-I187 HydrophobicContact CG2-CD1 3.78Å; V60-I187 HydrophobicContact CG2-CG1 3.43Å; V60-I187 VanDerWaalsContact CG2-CG1 3.43Å
61	C	97.7	Very high	92.2	Very high	20 Å²	20	30.6 Å²	30.6	14%	0.135	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.5	176.5	-174.2	0	0	0	0	110.6	V63 W67 Q68 E183 T184	C61-V63 HydrophobicContact CB-CG1 4.24Å; C61-V63 PolarHBondContact O-N 3.28Å; C61-W67 CarbonylContact O-C 3.51Å; C61-W67 WeakPolarHBondContact O-CA 3.3Å; C61-Q68 PolarHBondContact N-O 3.46Å; C61-Q68 PolarHBondContact O-N 2.93Å; C61-E183 WeakPolarHBondContact CA-O 3.44Å; C61-T184 HydrophobicContact CB-CG2 4.45Å; C61-T184 PolarHBondContact SG-OG1 2.78Å; C61-T184 VanDerWaalsContact SG-OG1 3.36Å
62	N	97.9	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	101.7	163.3	176.1	-7.3	0	0	0	108.5	G64 I178 K179 Y180 K181 N182 E183 Y256	N62-G64 PolarHBondContact O-N 3.33Å; N62-G64 WeakPolarHBondContact OD1-CA 3.39Å; N62-G64 PolarHBondContact OD1-N 3.21Å; N62-I178 HydrophobicContact CB-CB 4.22Å; N62-I178 HydrophobicContact CB-CD1 4.19Å; N62-I178 HydrophobicContact CB-CG1 4.41Å; N62-I178 WeakPolarHBondContact CB-O 3.44Å; N62-I178 PolarHBondContact ND2-O 3.21Å; N62-I178 VanDerWaalsContact ND2-O 3.15Å; N62-K179 PolarHBondContact ND2-O 2.97Å; N62-Y180 PolarHBondContact ND2-O 3.3Å; N62-K181 CarbonylContact O-C 3.48Å; N62-K181 WeakPolarHBondContact O-CA 3.25Å; N62-N182 PolarHBondContact O-N 2.89Å; N62-E183 PolarHBondContact N-O 3.15Å; N62-Y256 PolarHBondContact ND2-O 2.8Å
63	V	95.9	Very high	91.2	Very high	43 Å²	43	34.9 Å²	34.9	26%	0.261	20%	0.195	S	C	.	.			trans	-81.8	2.9	-177.5	-61.5	0	0	0	0	113.1	C61 T66 Q68	C61-V63 HydrophobicContact CB-CG1 4.24Å; C61-V63 PolarHBondContact O-N 3.28Å; V63-T66 HydrophobicContact CG2-CG2 3.73Å; V63-T66 WeakPolarHBondContact CG2-O 3.33Å; V63-T66 PolarHBondContact N-O 3.42Å; V63-T66 VanDerWaalsContact N-O 3.11Å; V63-Q68 HydrophobicContact CG1-CB 3.95Å; V63-Q68 HydrophobicContact CG2-CB 4.41Å
64	G	94.3	Very high	90.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	20%	0.195	C	C	.	.	S	Bend	trans	86.8	0.8	179	0	0	0	0	0	114.9	N62 A257	N62-G64 PolarHBondContact O-N 3.33Å; N62-G64 WeakPolarHBondContact OD1-CA 3.39Å; N62-G64 PolarHBondContact OD1-N 3.21Å; G64-A257 WeakPolarHBondContact O-CA 3.49Å; G64-A257 VanDerWaalsContact O-CB 3.3Å; G64-A257 WeakPolarHBondContact O-CB 3.1Å
65	T	93.9	Very high	90	Very high	60 Å²	60	35.9 Å²	35.9	37%	0.368	20%	0.201	S	C	.	.	S	Bend	trans	-130.4	-20.9	173.3	54.3	0	0	0	0	112.4	I8 N273	I8-T65 HydrophobicContact CD1-CG2 3.72Å; I8-T65 HydrophobicContact CG1-CG2 3.63Å; T65-N273 VanDerWaalsContact O-CB 3.27Å; T65-N273 WeakPolarHBondContact O-CB 3.35Å; T65-N273 PolarHBondContact O-ND2 2.98Å
66	T	97.1	Very high	89.2	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	23%	0.225	C	C	.	.	S	Bend	trans	-163.3	172.5	179.7	-174.5	0	0	0	0	108.3	V63 H105 C106 W108	V63-T66 HydrophobicContact CG2-CG2 3.73Å; V63-T66 WeakPolarHBondContact CG2-O 3.33Å; V63-T66 PolarHBondContact N-O 3.42Å; V63-T66 VanDerWaalsContact N-O 3.11Å; T66-H105 HydrophobicContact CG2-CB 3.78Å; T66-C106 PolarHBondContact OG1-N 3.08Å; T66-C106 PolarHBondContact OG1-O 3.09Å; T66-W108 WeakPolarHBondContact OG1-CZ3 3.41Å
67	W	97.8	Very high	88.4	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.3	156.7	57.7	-101.5	0	0	0	108.9	V60 C61 I69 H105 C106 W108 L171 I175 I178 F252 L255	V60-W67 HydrophobicContact CG1-CB 4Å; V60-W67 HydrophobicContact CG1-CE3 4.3Å; C61-W67 CarbonylContact O-C 3.51Å; C61-W67 WeakPolarHBondContact O-CA 3.3Å; W67-I69 HydrophobicContact CE3-CG1 4.36Å; W67-I69 HydrophobicContact CZ3-CD1 4.15Å; W67-I69 HydrophobicContact CZ3-CG1 4.05Å; W67-H105 WeakPolarHBondContact O-CA 3.49Å; W67-H105 WeakPolarHBondContact O-CB 3.26Å; W67-C106 HydrophobicContact CD2-CB 4.27Å; W67-C106 HydrophobicContact CH2-CB 3.76Å; W67-C106 HydrophobicContact CZ2-CB 3.11Å; W67-W108 AromaticContact CD1-CH2 3.73Å; W67-W108 AromaticContact CD1-CZ3 3.47Å; W67-W108 VanDerWaalsContact CD1-CZ3 3.47Å; W67-W108 HydrophobicContact CG-CZ3 4.37Å; W67-W108 AromaticContact NE1-CZ3 3.64Å; W67-L171 HydrophobicContact CH2-CD2 4.08Å; W67-L171 HydrophobicContact CZ3-CD2 4.43Å; W67-I175 HydrophobicContact CB-CG1 4.34Å; W67-I175 HydrophobicContact CD2-CD1 3.75Å; W67-I175 HydrophobicContact CD2-CG1 4.3Å; W67-I175 HydrophobicContact CE3-CD1 4.38Å; W67-I175 HydrophobicContact CG-CD1 3.88Å; W67-I175 HydrophobicContact CG-CG1 4.08Å; W67-I175 HydrophobicContact CG-CG2 4.45Å; W67-I175 HydrophobicContact CZ2-CD1 4.12Å; W67-I178 HydrophobicContact CB-CD1 4.19Å; W67-F252 HydrophobicContact CZ2-CE2 4.49Å; W67-F252 HydrophobicContact CZ2-CZ 4.47Å; W67-F252 AromaticContact NE1-CD2 3.83Å; W67-F252 AromaticContact NE1-CE2 3.98Å; W67-F252 AromaticContact NE1-CG 3.86Å; W67-L255 HydrophobicContact CB-CD1 4.15Å
68	Q	97.8	Very high	87.5	Confident	52 Å²	52	45.1 Å²	45.1	24%	0.243	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126	-178	-172.3	-175.8	-87.3	0	0	110.3	V60 C61 V63 Q103 I104	V60-Q68 CarbonylContact C-O 3.57Å; V60-Q68 WeakPolarHBondContact CA-O 3.39Å; C61-Q68 PolarHBondContact N-O 3.46Å; C61-Q68 PolarHBondContact O-N 2.93Å; V63-Q68 HydrophobicContact CG1-CB 3.95Å; V63-Q68 HydrophobicContact CG2-CB 4.41Å; Q68-Q103 HydrophobicContact CG-CB 3.91Å; Q68-Q103 HydrophobicContact CG-CG 4.41Å; Q68-I104 CarbonylContact C-O 3.58Å; Q68-I104 WeakPolarHBondContact CA-O 3.31Å
69	I	96.7	Very high	86.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.2	167.6	-59.6	178.9	0	0	0	108.4	C57 E59 V60 W67 Q103 I104 L171 I187 L196	C57-I69 HydrophobicContact CB-CG2 3.76Å; E59-I69 WeakPolarHBondContact O-CA 3.5Å; V60-I69 HydrophobicContact CG2-CG1 4.2Å; W67-I69 HydrophobicContact CE3-CG1 4.36Å; W67-I69 HydrophobicContact CZ3-CD1 4.15Å; W67-I69 HydrophobicContact CZ3-CG1 4.05Å; I69-Q103 WeakPolarHBondContact O-CA 3.35Å; I69-Q103 WeakPolarHBondContact O-CB 3.45Å; I69-I104 HydrophobicContact CB-CB 4.1Å; I69-I104 HydrophobicContact CD1-CB 4.32Å; I69-I104 HydrophobicContact CD1-CD1 4.46Å; I69-I104 HydrophobicContact CG1-CB 4.48Å; I69-I104 PolarHBondContact N-O 3.35Å; I69-I104 PolarHBondContact O-N 3.05Å; I69-I104 VanDerWaalsContact O-N 3.11Å; I69-L171 HydrophobicContact CD1-CD1 3.94Å; I69-L171 HydrophobicContact CD1-CD2 4.32Å; I69-L171 HydrophobicContact CG1-CD1 4.42Å; I69-I187 HydrophobicContact CB-CD1 4.31Å; I69-I187 HydrophobicContact CD1-CD1 4.02Å; I69-I187 HydrophobicContact CG1-CD1 3.95Å; I69-I187 HydrophobicContact CG2-CD1 3.57Å; I69-L196 HydrophobicContact CD1-CD1 4.4Å
70	T	90.6	Very high	85.3	Confident	43 Å²	43	50.8 Å²	50.8	26%	0.264	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.7	171.7	-57.8	0	0	0	0	109.5	V58 E59	V58-T70 PolarHBondContact N-O 3.22Å; E59-T70 PolarHBondContact O-N 3.1Å; E59-T70 VanDerWaalsContact O-N 3.07Å
71	T	90.2	Very high	84.1	Confident	17 Å²	17	55 Å²	55	10%	0.104	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.6	175.1	65.2	0	0	0	0	111.7	D56 L88 L101 M102	D56-T71 CarbonylContact O-C 3.54Å; D56-T71 VanDerWaalsContact O-CA 3.27Å; D56-T71 WeakPolarHBondContact O-CA 3.33Å; T71-L88 HydrophobicContact CG2-CD2 4.24Å; T71-L101 HydrophobicContact CG2-CD2 3.84Å; T71-L101 HydrophobicContact CG2-CG 3.81Å; T71-L101 PolarHBondContact OG1-O 3.41Å; T71-M102 VanDerWaalsContact OG1-C 3.24Å; T71-M102 PolarHBondContact OG1-O 3.16Å
72	V	84.7	Confident	83.3	Confident	64 Å²	64	57.9 Å²	57.9	39%	0.388	30%	0.303	S	S	.	.			trans	-129.7	112.5	175.7	-178	0	0	0	0	107.4	D56 V58 Q74	D56-V72 PolarHBondContact O-N 3.21Å; V58-V72 HydrophobicContact CB-CG2 4.37Å; V58-V72 HydrophobicContact CG2-CB 3.79Å; V58-V72 HydrophobicContact CG2-CG2 3.73Å; V72-Q74 PolarHBondContact O-N 2.91Å; V72-Q74 PolarHBondContact O-NE2 3.41Å; V72-Q74 VanDerWaalsContact O-NE2 3.08Å
73	P	77.7	Confident	82.2	Confident	82 Å²	82	64.2 Å²	64.2	53%	0.532	33%	0.327	S	S	.	.			trans	-62.7	122.8	-179.8	24.1	-31.8	0	0	0	110.2	C87 L88	P73-C87 HydrophobicContact CB-CB 4.29Å; P73-L88 HydrophobicContact CB-CD1 4Å
74	Q	74.1	Confident	81.3	Confident	104 Å²	104	65.2 Å²	65.2	49%	0.486	34%	0.336	S	S	.	.			trans	-88.4	-21.7	-177.8	-61	-58.6	-38.5	0	0	113.8	E55 D56 V72	E55-Q74 HydrophobicContact CB-CG 3.99Å; E55-Q74 WeakPolarHBondContact O-CG 3.22Å; E55-Q74 PolarHBondContact O-NE2 2.75Å; D56-Q74 PolarHBondContact OD1-N 2.94Å; D56-Q74 VanDerWaalsContact OD1-N 3.15Å; V72-Q74 PolarHBondContact O-N 2.91Å; V72-Q74 PolarHBondContact O-NE2 3.41Å; V72-Q74 VanDerWaalsContact O-NE2 3.08Å
75	C	73.1	Confident	80.7	Confident	44 Å²	44	71.4 Å²	71.4	30%	0.297	36%	0.362	S	S	.	.	S	Bend	trans	-74.7	149.3	174.9	54.7	0	0	0	0	112.3	S77 C87	C75-S77 PolarHBondContact O-N 3.09Å; C75-C87 VanDerWaalsContact CA-SG 3.58Å; C75-C87 HydrophobicContact CB-CB 4.29Å; C75-C87 WeakPolarHBondContact CB-SG 3.49Å; C75-C87 PolarHBondContact N-SG 3.31Å; C75-C87 WeakPolarHBondContact SG-CB 3.18Å; C75-C87 PolarHBondContact SG-N 3.11Å; C75-C87 CovalentContact SG-SG 2.01Å; C75-C87 PolarHBondContact SG-SG 2.81Å
76	K	68.2	Low	80.2	Confident	214 Å²	214	68.8 Å²	68.8	93%	0.93	35%	0.346	S	S	*	.	S	Bend	trans	-73.1	-11.2	175	-61.2	-177.3	179.6	179.9	0	113.4	S78	K76-S78 PolarHBondContact O-N 2.68Å
77	S	66.5	Low	79.9	Confident	30 Å²	30	69.5 Å²	69.5	21%	0.21	35%	0.351	C	S	.	.			trans	-69.8	120.5	-178.7	-165.8	0	0	0	0	109.2	C75 D81 K85	C75-S77 PolarHBondContact O-N 3.09Å; S77-D81 WeakPolarHBondContact OG-CB 3.33Å; S77-K85 WeakPolarHBondContact CB-O 3.18Å
78	S	66.8	Low	79.7	Confident	45 Å²	45	69.6 Å²	69.6	32%	0.315	35%	0.352	S	S	.	.			trans	-78.1	164.3	169.8	74.1	0	0	0	0	110.3	K76 Y80 D81	K76-S78 PolarHBondContact O-N 2.68Å; S78-Y80 PolarHBondContact O-N 2.94Å; S78-Y80 VanDerWaalsContact O-N 3.09Å; S78-Y80 WeakPolarHBondContact OG-CB 3.22Å; S78-Y80 PolarHBondContact OG-N 2.52Å; S78-D81 WeakPolarHBondContact CB-OD2 3.46Å; S78-D81 PolarHBondContact N-OD2 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 PolarHBondContact O-N 2.76Å; S78-D81 VanDerWaalsContact O-N 3.08Å; S78-D81 PolarHBondContact OG-N 2.9Å; S78-D81 PolarHBondContact OG-OD2 3.07Å
79	I	66.6	Low	79.5	Confident	46 Å²	46	67.2 Å²	67.2	24%	0.236	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.5	169.8	61.4	171.3	0	0	0	113.3	I86 I136	I79-I86 HydrophobicContact CB-CD1 4.45Å; I79-I86 HydrophobicContact CG2-CD1 4.4Å; I79-I136 HydrophobicContact CG2-CG2 4.5Å
80	Y	67.2	Low	79.5	Confident	191 Å²	191	67.2 Å²	67.2	75%	0.749	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-11	177.6	-54.2	-70.8	0	0	0	113	S78	S78-Y80 PolarHBondContact O-N 2.94Å; S78-Y80 VanDerWaalsContact O-N 3.09Å; S78-Y80 WeakPolarHBondContact OG-CB 3.22Å; S78-Y80 PolarHBondContact OG-N 2.52Å
81	D	72	Confident	79.8	Confident	89 Å²	89	66.8 Å²	66.8	48%	0.476	34%	0.338	S	S	.	.	S	Bend	trans	-85.5	-164.1	175.3	-62.8	-55	0	0	0	110.8	S77 S78 R83	S77-D81 WeakPolarHBondContact OG-CB 3.33Å; S78-D81 WeakPolarHBondContact CB-OD2 3.46Å; S78-D81 PolarHBondContact N-OD2 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 PolarHBondContact O-N 2.76Å; S78-D81 VanDerWaalsContact O-N 3.08Å; S78-D81 PolarHBondContact OG-N 2.9Å; S78-D81 PolarHBondContact OG-OD2 3.07Å; D81-R83 PolarHBondContact O-N 3.46Å; D81-R83 VanDerWaalsContact O-N 3.07Å
82	D	79.6	Confident	80.1	Confident	79 Å²	79	66.5 Å²	66.5	42%	0.422	34%	0.337	S	S	.	.			trans	-55.1	112.1	174	-177.8	-5.7	0	0	0	111.1	S84 K85	D82-S84 PolarHBondContact O-N 3.34Å; D82-S84 VanDerWaalsContact OD1-CB 3.32Å; D82-S84 WeakPolarHBondContact OD1-CB 3.37Å; D82-S84 PolarHBondContact OD1-N 3.05Å; D82-S84 PolarHBondContact OD1-OG 3.26Å; D82-S84 PolarHBondContact OD2-OG 3.2Å; D82-K85 HydrophobicContact CB-CD 4.18Å; D82-K85 HydrophobicContact CB-CG 4.27Å; D82-K85 PolarHBondContact O-N 2.81Å; D82-K85 WeakPolarHBondContact OD2-CE 3.47Å; D82-K85 IonicContact OD2-NZ 3.81Å
83	R	75.6	Confident	80.7	Confident	134 Å²	134	66.7 Å²	66.7	51%	0.506	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-58.5	-20.4	-179	-66.1	-176.6	179.9	-157.5	-3.7	113	R51 D81 K85 I86 I136	R51-R83 PolarHBondContact NH1-O 2.92Å; D81-R83 PolarHBondContact O-N 3.46Å; D81-R83 VanDerWaalsContact O-N 3.07Å; R83-K85 PolarHBondContact O-N 3.02Å; R83-I86 HydrophobicContact CB-CD1 4.13Å; R83-I86 HydrophobicContact CG-CD1 4.16Å; R83-I136 HydrophobicContact CG-CD1 4.24Å
84	S	76.4	Confident	81.6	Confident	64 Å²	64	64.1 Å²	64.1	45%	0.448	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-72.9	-7.5	173.9	73.9	0	0	0	0	114	R51 D82	R51-S84 PolarHBondContact NE-O 3.06Å; R51-S84 PolarHBondContact NH1-O 2.84Å; D82-S84 PolarHBondContact O-N 3.34Å; D82-S84 VanDerWaalsContact OD1-CB 3.32Å; D82-S84 WeakPolarHBondContact OD1-CB 3.37Å; D82-S84 PolarHBondContact OD1-N 3.05Å; D82-S84 PolarHBondContact OD1-OG 3.26Å; D82-S84 PolarHBondContact OD2-OG 3.2Å
85	K	81.3	Confident	82.8	Confident	131 Å²	131	59.9 Å²	59.9	57%	0.57	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-116.7	6.5	-176.8	-60.2	-177.6	-175.1	169.5	0	114.3	S77 D82 R83 C87	S77-K85 WeakPolarHBondContact CB-O 3.18Å; D82-K85 HydrophobicContact CB-CD 4.18Å; D82-K85 HydrophobicContact CB-CG 4.27Å; D82-K85 PolarHBondContact O-N 2.81Å; D82-K85 WeakPolarHBondContact OD2-CE 3.47Å; D82-K85 IonicContact OD2-NZ 3.81Å; R83-K85 PolarHBondContact O-N 3.02Å; K85-C87 PolarHBondContact O-N 3.07Å
86	I	85.2	Confident	83.9	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	31%	0.308	C	S	.	.			trans	-68.5	122.4	177.5	-62.8	172.2	0	0	0	108.8	I79 R83 A89 I100 I136	I79-I86 HydrophobicContact CB-CD1 4.45Å; I79-I86 HydrophobicContact CG2-CD1 4.4Å; R83-I86 HydrophobicContact CB-CD1 4.13Å; R83-I86 HydrophobicContact CG-CD1 4.16Å; I86-A89 HydrophobicContact CB-CB 4.3Å; I86-A89 HydrophobicContact CG2-CB 4.24Å; I86-A89 WeakPolarHBondContact O-CB 3.4Å; I86-I100 HydrophobicContact CG2-CG2 3.59Å; I86-I136 HydrophobicContact CD1-CD1 3.88Å
87	C	89.5	Confident	85.3	Confident	23 Å²	23	52.3 Å²	52.3	16%	0.155	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	161	170.8	-65.4	0	0	0	0	111.1	P73 C75 K85 A89	P73-C87 HydrophobicContact CB-CB 4.29Å; C75-C87 VanDerWaalsContact CA-SG 3.58Å; C75-C87 HydrophobicContact CB-CB 4.29Å; C75-C87 WeakPolarHBondContact CB-SG 3.49Å; C75-C87 PolarHBondContact N-SG 3.31Å; C75-C87 WeakPolarHBondContact SG-CB 3.18Å; C75-C87 PolarHBondContact SG-N 3.11Å; C75-C87 CovalentContact SG-SG 2.01Å; C75-C87 PolarHBondContact SG-SG 2.81Å; K85-C87 PolarHBondContact O-N 3.07Å; C87-A89 PolarHBondContact O-N 2.82Å
88	L	92.9	Very high	86.7	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	15.2	-179	-65.1	169.8	0	0	0	112.2	R51 Y52 D56 T71 P73 I100 L101	R51-L88 WeakPolarHBondContact O-CA 3.44Å; R51-L88 PolarHBondContact O-N 3.36Å; Y52-L88 HydrophobicContact CD1-CD2 4.39Å; Y52-L88 WeakPolarHBondContact CE1-O 3.46Å; D56-L88 HydrophobicContact CB-CD1 4.38Å; D56-L88 HydrophobicContact CB-CD2 3.37Å; D56-L88 HydrophobicContact CB-CG 3.93Å; T71-L88 HydrophobicContact CG2-CD2 4.24Å; P73-L88 HydrophobicContact CB-CD1 4Å; L88-I100 CarbonylContact O-C 3.54Å; L88-I100 WeakPolarHBondContact O-CA 3.35Å; L88-L101 HydrophobicContact CB-CB 4.09Å; L88-L101 HydrophobicContact CD2-CB 4.17Å; L88-L101 HydrophobicContact CD2-CD2 4.06Å; L88-L101 HydrophobicContact CD2-CG 4.45Å; L88-L101 PolarHBondContact O-N 3.26Å
89	A	94.6	Very high	88.1	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.5	-175.5	0	0	0	0	0	111.4	R51 Y52 I86 C87 T98 Y99	R51-A89 HydrophobicContact CB-CB 4.24Å; R51-A89 HydrophobicContact CG-CB 4.41Å; R51-A89 PolarHBondContact N-O 3.11Å; Y52-A89 WeakPolarHBondContact CE1-O 3.31Å; I86-A89 HydrophobicContact CB-CB 4.3Å; I86-A89 HydrophobicContact CG2-CB 4.24Å; I86-A89 WeakPolarHBondContact O-CB 3.4Å; C87-A89 PolarHBondContact O-N 2.82Å; A89-T98 HydrophobicContact CB-CG2 3.88Å; A89-Y99 CarbonylContact C-O 3.53Å; A89-Y99 WeakPolarHBondContact CA-O 3.45Å
90	L	96.3	Very high	89.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.5	168.8	175	61.8	0	0	0	108.6	F48 E49 F50 L95 Y99 A152 L154	F48-L90 HydrophobicContact CD1-CD1 4.17Å; E49-L90 WeakPolarHBondContact O-CA 3.5Å; F50-L90 HydrophobicContact CD1-CD1 3.68Å; F50-L90 HydrophobicContact CE1-CD1 3.44Å; F50-L90 VanDerWaalsContact CE1-CD1 3.44Å; F50-L90 HydrophobicContact CZ-CD1 4.15Å; L90-L95 HydrophobicContact CD2-CD1 4.08Å; L90-L95 HydrophobicContact CG-CD1 4.09Å; L90-Y99 PolarHBondContact N-O 3.16Å; L90-Y99 PolarHBondContact O-N 3.03Å; L90-A152 HydrophobicContact CD2-CB 4.47Å; L90-L154 HydrophobicContact CD2-CD1 4.2Å; L90-L154 HydrophobicContact CD2-CD2 4.18Å; L90-L154 HydrophobicContact CD2-CG 4.28Å
91	T	96.9	Very high	90.8	Very high	34 Å²	34	40 Å²	40	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.7	160.8	52.8	0	0	0	0	110.1	F48 E49 T98	F48-T91 CarbonylContact C-O 3.58Å; F48-T91 WeakPolarHBondContact CA-O 3.46Å; E49-T91 WeakPolarHBondContact CB-OG1 3.43Å; E49-T91 PolarHBondContact N-O 3.27Å; E49-T91 PolarHBondContact O-N 2.89Å; E49-T91 VanDerWaalsContact O-N 3.09Å; T91-T98 HydrophobicContact CG2-CG2 3.99Å; T91-T98 WeakPolarHBondContact CG2-OG1 3.32Å
92	A	97.5	Very high	91.8	Very high	10 Å²	10	38.8 Å²	38.8	8%	0.083	21%	0.205	C	C	.	.			trans	-147.6	154.4	170	0	0	0	0	0	107.8	G46 F48 Y94 L95	G46-A92 CarbonylContact O-C 3.17Å; G46-A92 VanDerWaalsContact O-CA 3.31Å; G46-A92 WeakPolarHBondContact O-CA 3.32Å; G46-A92 WeakPolarHBondContact O-CB 3.24Å; F48-A92 HydrophobicContact CD1-CB 3.75Å; F48-A92 HydrophobicContact CE1-CB 3.94Å; F48-A92 HydrophobicContact CG-CB 4.43Å; A92-Y94 HydrophobicContact CB-CD1 4.04Å; A92-Y94 HydrophobicContact CB-CE1 3.56Å; A92-Y94 PolarHBondContact O-N 2.76Å; A92-Y94 VanDerWaalsContact O-N 3.15Å; A92-L95 HydrophobicContact CB-CB 4.46Å; A92-L95 HydrophobicContact CB-CD1 3.88Å; A92-L95 HydrophobicContact CB-CG 4Å; A92-L95 PolarHBondContact O-N 3.24Å
93	N	96.7	Very high	92.6	Very high	68 Å²	68	36.7 Å²	36.7	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.1	-175.2	61	-9.1	0	0	0	114.5	S42 L43 G46 N47	S42-N93 PolarHBondContact O-ND2 3.35Å; L43-N93 PolarHBondContact O-ND2 3.2Å; L43-N93 PolarHBondContact O-OD1 2.79Å; G46-N93 WeakPolarHBondContact CA-OD1 3.25Å; G46-N93 PolarHBondContact O-N 2.95Å; G46-N93 PolarHBondContact O-OD1 2.91Å; N47-N93 HydrophobicContact CB-CB 4.36Å; N47-N93 PolarHBondContact ND2-ND2 2.74Å
94	Y	97.5	Very high	93.6	Very high	29 Å²	29	30.3 Å²	30.3	11%	0.114	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-8.3	178.3	66.8	-90.7	0	0	0	114	L43 F48 A92 F217 T219 I234 T236	L43-Y94 VanDerWaalsContact CD2-CB 3.47Å; L43-Y94 HydrophobicContact CD2-CD1 3.83Å; L43-Y94 HydrophobicContact CD2-CG 3.75Å; F48-Y94 HydrophobicContact CE1-CE1 4.14Å; F48-Y94 WeakPolarHBondContact CE1-OH 3.41Å; F48-Y94 HydrophobicContact CZ-CE1 4.02Å; F48-Y94 WeakPolarHBondContact CZ-OH 3.44Å; A92-Y94 HydrophobicContact CB-CD1 4.04Å; A92-Y94 HydrophobicContact CB-CE1 3.56Å; A92-Y94 PolarHBondContact O-N 2.76Å; A92-Y94 VanDerWaalsContact O-N 3.15Å; Y94-F217 AromaticContact CD1-CE2 3.87Å; Y94-F217 HydrophobicContact CD1-CE2 3.87Å; Y94-F217 AromaticContact CD1-CZ 3.72Å; Y94-F217 HydrophobicContact CD1-CZ 3.72Å; Y94-F217 HydrophobicContact CE1-CD2 4.42Å; Y94-F217 HydrophobicContact CE1-CE1 4.32Å; Y94-F217 AromaticContact CE1-CE2 3.41Å; Y94-F217 HydrophobicContact CE1-CE2 3.41Å; Y94-F217 VanDerWaalsContact CE1-CE2 3.41Å; Y94-F217 AromaticContact CE1-CZ 3.35Å; Y94-F217 HydrophobicContact CE1-CZ 3.35Å; Y94-F217 AromaticContact CZ-CE2 3.83Å; Y94-T219 HydrophobicContact CD2-CG2 4.25Å; Y94-T219 HydrophobicContact CE2-CG2 4.5Å; Y94-I234 HydrophobicContact CE2-CG2 4.39Å; Y94-T236 VanDerWaalsContact OH-CG2 3.27Å; Y94-T236 WeakPolarHBondContact OH-CG2 3.4Å; Y94-T236 PolarHBondContact OH-OG1 3.15Å
95	L	98.2	Very high	94.7	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.079	15%	0.151	C	C	.	.	S	Bend	trans	-82.6	136.7	176.2	-70.5	176.6	0	0	0	109.5	L90 A92 A97 Y99 A152 I234	L90-L95 HydrophobicContact CD2-CD1 4.08Å; L90-L95 HydrophobicContact CG-CD1 4.09Å; A92-L95 HydrophobicContact CB-CB 4.46Å; A92-L95 HydrophobicContact CB-CD1 3.88Å; A92-L95 HydrophobicContact CB-CG 4Å; A92-L95 PolarHBondContact O-N 3.24Å; L95-A97 PolarHBondContact O-N 2.8Å; L95-Y99 HydrophobicContact CB-CD2 4.42Å; L95-Y99 HydrophobicContact CB-CE2 4.06Å; L95-Y99 HydrophobicContact CD1-CD2 4.13Å; L95-Y99 HydrophobicContact CD1-CE2 4.41Å; L95-Y99 HydrophobicContact CD2-CE2 4.19Å; L95-Y99 HydrophobicContact CG-CE2 4.46Å; L95-A152 HydrophobicContact CD1-CB 4.22Å; L95-A152 HydrophobicContact CD2-CB 3.92Å; L95-I234 HydrophobicContact CD2-CB 4.25Å; L95-I234 HydrophobicContact CD2-CD1 4.33Å; L95-I234 HydrophobicContact CD2-CG2 3.89Å
96	P	97.3	Very high	95.5	Very high	83 Å²	83	22 Å²	22	54%	0.539	12%	0.124	S	C	.	.	S	Bend	trans	-75.6	-10.2	-174.4	31	-36.5	0	0	0	113.7	Y99 D149 I234	P96-Y99 WeakPolarHBondContact CG-OH 3.41Å; P96-D149 HydrophobicContact CG-CB 3.94Å; P96-I234 HydrophobicContact CG-CD1 3.99Å
97	A	96	Very high	96.1	Very high	16 Å²	16	22 Å²	22	13%	0.132	12%	0.124	C	C	.	.	S	Bend	trans	-155.5	175.9	-174.1	0	0	0	0	0	111.2	L95 Y99 N135	L95-A97 PolarHBondContact O-N 2.8Å; A97-Y99 HydrophobicContact CB-CE2 4.16Å; A97-Y99 VanDerWaalsContact O-CD2 3.25Å; A97-Y99 WeakPolarHBondContact O-CD2 3.31Å; A97-Y99 WeakPolarHBondContact O-CE2 3.42Å; A97-N135 VanDerWaalsContact CB-OD1 3.3Å; A97-N135 WeakPolarHBondContact CB-OD1 3.37Å
98	T	95.8	Very high	96.5	Very high	21 Å²	21	20.9 Å²	20.9	13%	0.129	12%	0.117	C	C	.	.			trans	-76.2	138.2	161.6	-54.2	0	0	0	0	109.6	A89 T91 I136	A89-T98 HydrophobicContact CB-CG2 3.88Å; T91-T98 HydrophobicContact CG2-CG2 3.99Å; T91-T98 WeakPolarHBondContact CG2-OG1 3.32Å; T98-I136 HydrophobicContact CG2-CD1 4.3Å; T98-I136 HydrophobicContact CG2-CG2 4.39Å; T98-I136 WeakPolarHBondContact O-CG1 3.43Å; T98-I136 PolarHBondContact O-N 3.38Å
99	Y	96.5	Very high	96.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.5	174.6	-68.3	-108.6	0	0	0	109.6	A89 L90 L95 P96 A97 H133 R134 N135 D149 F151 A152	A89-Y99 CarbonylContact C-O 3.53Å; A89-Y99 WeakPolarHBondContact CA-O 3.45Å; L90-Y99 PolarHBondContact N-O 3.16Å; L90-Y99 PolarHBondContact O-N 3.03Å; L95-Y99 HydrophobicContact CB-CD2 4.42Å; L95-Y99 HydrophobicContact CB-CE2 4.06Å; L95-Y99 HydrophobicContact CD1-CD2 4.13Å; L95-Y99 HydrophobicContact CD1-CE2 4.41Å; L95-Y99 HydrophobicContact CD2-CE2 4.19Å; L95-Y99 HydrophobicContact CG-CE2 4.46Å; P96-Y99 WeakPolarHBondContact CG-OH 3.41Å; A97-Y99 HydrophobicContact CB-CE2 4.16Å; A97-Y99 VanDerWaalsContact O-CD2 3.25Å; A97-Y99 WeakPolarHBondContact O-CD2 3.31Å; A97-Y99 WeakPolarHBondContact O-CE2 3.42Å; Y99-H133 HydrophobicContact CD1-CB 4.42Å; Y99-H133 HydrophobicContact CG-CB 4.4Å; Y99-R134 CarbonylContact C-O 3.57Å; Y99-R134 VanDerWaalsContact CA-O 3.25Å; Y99-R134 WeakPolarHBondContact CA-O 3.42Å; Y99-R134 VanDerWaalsContact CD1-C 3.46Å; Y99-N135 VanDerWaalsContact CD1-CA 3.48Å; Y99-N135 HydrophobicContact CD1-CB 3.87Å; Y99-N135 HydrophobicContact CE1-CB 3.46Å; Y99-N135 VanDerWaalsContact CE1-CB 3.46Å; Y99-N135 PolarHBondContact OH-ND2 2.94Å; Y99-D149 VanDerWaalsContact CE1-O 3.27Å; Y99-D149 WeakPolarHBondContact CE1-O 3.42Å; Y99-D149 PolarHBondContact OH-O 3Å; Y99-F151 VanDerWaalsContact CE1-C 3.44Å; Y99-A152 HydrophobicContact CD1-CB 3.47Å; Y99-A152 VanDerWaalsContact CD1-CB 3.47Å; Y99-A152 HydrophobicContact CD2-CB 4.1Å; Y99-A152 HydrophobicContact CE1-CB 3.71Å; Y99-A152 HydrophobicContact CE2-CB 4.32Å; Y99-A152 HydrophobicContact CG-CB 3.71Å
100	I	94.9	Very high	96.7	Very high	28 Å²	28	23.8 Å²	23.8	14%	0.144	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.8	176.2	51.9	166.1	0	0	0	110.5	I86 L88 M102 H133 R134 I136	I86-I100 HydrophobicContact CG2-CG2 3.59Å; L88-I100 CarbonylContact O-C 3.54Å; L88-I100 WeakPolarHBondContact O-CA 3.35Å; I100-M102 PolarHBondContact O-N 2.66Å; I100-H133 CarbonylContact O-C 3.53Å; I100-H133 WeakPolarHBondContact O-CA 3.43Å; I100-R134 WeakPolarHBondContact CG1-O 3.24Å; I100-R134 PolarHBondContact N-O 3.11Å; I100-R134 PolarHBondContact O-N 3.06Å; I100-I136 HydrophobicContact CB-CG2 4.37Å; I100-I136 HydrophobicContact CG1-CG2 4.19Å; I100-I136 HydrophobicContact CG2-CG2 3.54Å
101	L	95.7	Very high	96.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	124.3	176.7	176.9	65.4	0	0	0	110	Y52 T71 L88 Q103 I104 L131 H133	Y52-L101 HydrophobicContact CD1-CD2 4.47Å; Y52-L101 HydrophobicContact CD2-CD2 4.23Å; Y52-L101 HydrophobicContact CE1-CB 4.09Å; Y52-L101 HydrophobicContact CE1-CD2 4.35Å; Y52-L101 HydrophobicContact CE2-CD2 4.02Å; Y52-L101 HydrophobicContact CG-CD2 4.48Å; T71-L101 HydrophobicContact CG2-CD2 3.84Å; T71-L101 HydrophobicContact CG2-CG 3.81Å; T71-L101 PolarHBondContact OG1-O 3.41Å; L88-L101 HydrophobicContact CB-CB 4.09Å; L88-L101 HydrophobicContact CD2-CB 4.17Å; L88-L101 HydrophobicContact CD2-CD2 4.06Å; L88-L101 HydrophobicContact CD2-CG 4.45Å; L88-L101 PolarHBondContact O-N 3.26Å; L101-Q103 WeakPolarHBondContact CD1-O 3.48Å; L101-I104 HydrophobicContact CD1-CG1 4.04Å; L101-I104 HydrophobicContact CD2-CD1 4.21Å; L101-I104 HydrophobicContact CD2-CG1 4.3Å; L101-L131 HydrophobicContact CD1-CB 3.97Å; L101-H133 VanDerWaalsContact CA-CD2 3.46Å; L101-H133 WeakPolarHBondContact CA-CD2 3.46Å
102	M	94.2	Very high	96.4	Very high	64 Å²	64	30.8 Å²	30.8	32%	0.315	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-40.2	-177.8	-65.1	-167.6	64.7	0	0	113	T71 I100 V132 R134 V141 F151	T71-M102 VanDerWaalsContact OG1-C 3.24Å; T71-M102 PolarHBondContact OG1-O 3.16Å; I100-M102 PolarHBondContact O-N 2.66Å; M102-V132 PolarHBondContact N-O 3.06Å; M102-R134 HydrophobicContact CG-CB 4.04Å; M102-R134 HydrophobicContact SD-CB 3.43Å; M102-R134 WeakPolarHBondContact SD-CB 3.4Å; M102-R134 HydrophobicContact SD-CG 4.27Å; M102-V141 HydrophobicContact CE-CG2 3.41Å; M102-V141 VanDerWaalsContact CE-CG2 3.41Å; M102-V141 HydrophobicContact SD-CG2 4.16Å; M102-F151 HydrophobicContact SD-CE1 4.06Å
103	Q	95.7	Very high	96.3	Very high	34 Å²	34	36 Å²	36	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.8	-177.9	55.6	88	-23.7	0	0	110.2	Q68 I69 L101 H105 V132	Q68-Q103 HydrophobicContact CG-CB 3.91Å; Q68-Q103 HydrophobicContact CG-CG 4.41Å; I69-Q103 WeakPolarHBondContact O-CA 3.35Å; I69-Q103 WeakPolarHBondContact O-CB 3.45Å; L101-Q103 WeakPolarHBondContact CD1-O 3.48Å; Q103-H105 PolarHBondContact NE2-ND1 3.3Å; Q103-H105 VanDerWaalsContact NE2-ND1 3.12Å; Q103-H105 PolarHBondContact OE1-ND1 3.31Å; Q103-V132 HydrophobicContact CG-CB 4.21Å; Q103-V132 PolarHBondContact O-N 2.79Å
104	I	97.6	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137	168.9	-50.1	175	0	0	0	108.1	Q68 I69 L101 V129 H130 L131 V193 L196	Q68-I104 CarbonylContact C-O 3.58Å; Q68-I104 WeakPolarHBondContact CA-O 3.31Å; I69-I104 HydrophobicContact CB-CB 4.1Å; I69-I104 HydrophobicContact CD1-CB 4.32Å; I69-I104 HydrophobicContact CD1-CD1 4.46Å; I69-I104 HydrophobicContact CG1-CB 4.48Å; I69-I104 PolarHBondContact N-O 3.35Å; I69-I104 PolarHBondContact O-N 3.05Å; I69-I104 VanDerWaalsContact O-N 3.11Å; L101-I104 HydrophobicContact CD1-CG1 4.04Å; L101-I104 HydrophobicContact CD2-CD1 4.21Å; L101-I104 HydrophobicContact CD2-CG1 4.3Å; I104-V129 HydrophobicContact CG2-CG1 3.53Å; I104-H130 VanDerWaalsContact CA-O 3.28Å; I104-H130 WeakPolarHBondContact CA-O 3.37Å; I104-L131 HydrophobicContact CD1-CD2 4.06Å; I104-L131 HydrophobicContact CD1-CG 4.07Å; I104-L131 HydrophobicContact CG1-CB 4.42Å; I104-L131 HydrophobicContact CG1-CD2 4.42Å; I104-L131 HydrophobicContact CG1-CG 3.98Å; I104-L131 HydrophobicContact CG2-CG 4.09Å; I104-V193 HydrophobicContact CD1-CB 4.25Å; I104-L196 HydrophobicContact CD1-CD1 4.14Å; I104-L196 HydrophobicContact CG2-CD1 4.09Å
105	H	97.9	Very high	96.2	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.093	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	175.9	173.6	63.4	-77.1	0	0	0	110.7	T66 W67 Q103 H107 V129 H130	T66-H105 HydrophobicContact CG2-CB 3.78Å; W67-H105 WeakPolarHBondContact O-CA 3.49Å; W67-H105 WeakPolarHBondContact O-CB 3.26Å; Q103-H105 PolarHBondContact NE2-ND1 3.3Å; Q103-H105 VanDerWaalsContact NE2-ND1 3.12Å; Q103-H105 PolarHBondContact OE1-ND1 3.31Å; H105-H107 AromaticContact CD2-NE2 3.42Å; H105-H107 PolarHBondContact CD2-NE2 3.28Å; H105-H107 AromaticContact NE2-NE2 3.26Å; H105-H107 PolarHBondContact NE2-NE2 3.26Å; H105-V129 CarbonylContact O-C 3.58Å; H105-V129 WeakPolarHBondContact O-CA 3.26Å; H105-H130 WeakPolarHBondContact CE1-CB 3.25Å; H105-H130 AromaticContact CE1-CG 3.98Å; H105-H130 AromaticContact CE1-ND1 3.76Å; H105-H130 PolarHBondContact N-O 3.31Å; H105-H130 AromaticContact NE2-CG 3.79Å; H105-H130 AromaticContact NE2-ND1 3.21Å; H105-H130 PolarHBondContact NE2-ND1 3.29Å; H105-H130 PolarHBondContact O-N 3.13Å
106	C	98.3	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.2	-179.9	-170.2	0	0	0	0	112.5	T66 W67 W108 E128 V129 N273	T66-C106 PolarHBondContact OG1-N 3.08Å; T66-C106 PolarHBondContact OG1-O 3.09Å; W67-C106 HydrophobicContact CD2-CB 4.27Å; W67-C106 HydrophobicContact CH2-CB 3.76Å; W67-C106 HydrophobicContact CZ2-CB 3.11Å; C106-W108 HydrophobicContact CB-CE3 4.16Å; C106-W108 HydrophobicContact CB-CZ3 4.25Å; C106-W108 VanDerWaalsContact O-CZ3 3.24Å; C106-W108 WeakPolarHBondContact O-CZ3 3.3Å; C106-E128 CarbonylContact C-O 3.46Å; C106-E128 WeakPolarHBondContact CA-O 3.39Å; C106-V129 HydrophobicContact CB-CG2 4.3Å; C106-N273 PolarHBondContact O-ND2 3.02Å; C106-N273 VanDerWaalsContact O-ND2 3.1Å
107	H	98.2	Very high	96.3	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.7	166.6	-61.4	-89.5	0	0	0	108.9	H105 G115 E117 G127 E128 H130 N273 I274	H105-H107 AromaticContact CD2-NE2 3.42Å; H105-H107 PolarHBondContact CD2-NE2 3.28Å; H105-H107 AromaticContact NE2-NE2 3.26Å; H105-H107 PolarHBondContact NE2-NE2 3.26Å; H107-G115 CarbonylContact C-O 3.54Å; H107-G115 VanDerWaalsContact C-O 3.32Å; H107-E117 HydrophobicContact CB-CG 3.76Å; H107-E117 IonicContact CD2-OE2 3.87Å; H107-E117 VanDerWaalsContact CE1-CD 3.47Å; H107-E117 IonicContact CE1-OE1 3.81Å; H107-E117 IonicContact CE1-OE2 3.27Å; H107-E117 PolarHBondContact CE1-OE2 3.02Å; H107-E117 IonicContact CG-OE2 3.94Å; H107-E117 IonicContact ND1-OE1 2.91Å; H107-E117 IonicContact ND1-OE2 3.95Å; H107-E117 IonicContact NE2-OE2 2.71Å; H107-E117 PolarHBondContact NE2-OE2 3Å; H107-G127 CarbonylContact O-C 3.52Å; H107-G127 WeakPolarHBondContact O-CA 3.29Å; H107-E128 PolarHBondContact N-O 3.37Å; H107-E128 PolarHBondContact O-N 2.86Å; H107-H130 AromaticContact CD2-CE1 3.28Å; H107-H130 PolarHBondContact CD2-CE1 2.89Å; H107-H130 AromaticContact CD2-ND1 3.29Å; H107-H130 PolarHBondContact CD2-ND1 2.84Å; H107-H130 VanDerWaalsContact CD2-ND1 3.29Å; H107-H130 AromaticContact NE2-CE1 3.33Å; H107-H130 PolarHBondContact NE2-CE1 2.89Å; H107-H130 VanDerWaalsContact NE2-CE1 3.33Å; H107-H130 AromaticContact NE2-ND1 3.12Å; H107-H130 PolarHBondContact NE2-ND1 2.77Å; H107-H130 VanDerWaalsContact NE2-ND1 3.12Å; H107-N273 VanDerWaalsContact CA-OD1 3.27Å; H107-N273 WeakPolarHBondContact CA-OD1 3.47Å; H107-N273 PolarHBondContact ND1-O 2.88Å; H107-I274 HydrophobicContact CB-CG2 4.23Å
108	W	97.9	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	163	178.1	61.5	88.1	0	0	0	110.9	T66 W67 C106 G115 F252 L255 L270 N273	T66-W108 WeakPolarHBondContact OG1-CZ3 3.41Å; W67-W108 AromaticContact CD1-CH2 3.73Å; W67-W108 AromaticContact CD1-CZ3 3.47Å; W67-W108 VanDerWaalsContact CD1-CZ3 3.47Å; W67-W108 HydrophobicContact CG-CZ3 4.37Å; W67-W108 AromaticContact NE1-CZ3 3.64Å; C106-W108 HydrophobicContact CB-CE3 4.16Å; C106-W108 HydrophobicContact CB-CZ3 4.25Å; C106-W108 VanDerWaalsContact O-CZ3 3.24Å; C106-W108 WeakPolarHBondContact O-CZ3 3.3Å; W108-G115 VanDerWaalsContact CA-O 3.31Å; W108-G115 WeakPolarHBondContact CA-O 3.44Å; W108-G115 PolarHBondContact N-O 3.47Å; W108-F252 HydrophobicContact CD2-CB 3.9Å; W108-F252 HydrophobicContact CD2-CD2 4.43Å; W108-F252 HydrophobicContact CE3-CB 4.27Å; W108-F252 HydrophobicContact CE3-CD2 4.3Å; W108-F252 HydrophobicContact CG-CB 4.22Å; W108-F252 HydrophobicContact CZ2-CB 4.23Å; W108-F252 WeakPolarHBondContact CZ2-O 3.42Å; W108-L255 HydrophobicContact CH2-CD1 3.88Å; W108-L255 HydrophobicContact CZ2-CD1 4.08Å; W108-L270 HydrophobicContact CZ2-CB 3.87Å; W108-L270 PolarHBondContact NE1-O 3.07Å; W108-N273 WeakPolarHBondContact CZ3-ND2 3.42Å; W108-N273 PolarHBondContact N-OD1 2.66Å; W108-N273 PolarHBondContact O-N 3.15Å; W108-N273 PolarHBondContact O-OD1 2.95Å
109	G	95.5	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.			trans	-128.6	-167.5	176.8	0	0	0	0	0	110	N114 R253 L271	G109-N114 WeakPolarHBondContact CA-OD1 3.3Å; G109-R253 VanDerWaalsContact O-CZ 3.28Å; G109-R253 PolarHBondContact O-NE 2.93Å; G109-R253 PolarHBondContact O-NH2 2.76Å; G109-L271 CarbonylContact C-O 3.49Å
110	T	95.5	Very high	96.5	Very high	68 Å²	68	30.2 Å²	30.2	42%	0.417	16%	0.159	S	C	.	.	S	Bend	trans	-97.3	-8.8	-175.4	55.6	0	0	0	0	113.5	N114 L271	T110-N114 PolarHBondContact N-OD1 3.45Å; T110-N114 PolarHBondContact OG1-ND2 3.38Å; T110-L271 HydrophobicContact CG2-CB 3.97Å; T110-L271 WeakPolarHBondContact CG2-O 3.42Å
111	E	94.5	Very high	96.6	Very high	117 Å²	117	31.2 Å²	31.2	55%	0.547	18%	0.176	S	C	.	.	S	Bend	trans	-133.9	157.3	-174.8	-58.7	173.9	-172.7	0	0	110.8	M113 N114	E111-M113 PolarHBondContact O-N 3.22Å; E111-N114 HydrophobicContact CB-CB 4.38Å; E111-N114 PolarHBondContact N-OD1 2.68Å; E111-N114 PolarHBondContact O-N 3.26Å; E111-N114 PolarHBondContact O-OD1 3.44Å; E111-N114 VanDerWaalsContact O-OD1 3.08Å
112	P	94	Very high	96.6	Very high	64 Å²	64	33.6 Å²	33.6	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.2	-175.3	-28.2	34.3	0	0	0	116.6	Y125 A126 E160	P112-Y125 CarbonylContact O-C 3.56Å; P112-A126 WeakPolarHBondContact O-CA 3.49Å; P112-A126 PolarHBondContact O-N 2.9Å; P112-E160 HydrophobicContact CB-CB 4.02Å; P112-E160 WeakPolarHBondContact CG-OE2 3.46Å
113	M	94.5	Very high	96.7	Very high	118 Å²	118	33.8 Å²	33.8	58%	0.581	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	16.5	-173	-60	176.7	70.8	0	0	113.3	E111 V123 G124 Y125	E111-M113 PolarHBondContact O-N 3.22Å; M113-V123 HydrophobicContact CE-CB 4.41Å; M113-V123 HydrophobicContact CE-CG1 3.28Å; M113-V123 HydrophobicContact CE-CG2 4.41Å; M113-G124 WeakPolarHBondContact CA-O 3.35Å; M113-G124 CarbonylContact O-C 3.43Å; M113-G124 WeakPolarHBondContact O-CA 3.25Å; M113-Y125 CarbonylContact C-O 3.6Å
114	N	95.2	Very high	96.7	Very high	45 Å²	45	32.5 Å²	32.5	24%	0.241	20%	0.202	C	C	.	.	S	Bend	trans	-129.4	11.4	-174	82.9	-4.5	0	0	0	115.3	G109 T110 E111 Y125 I274	G109-N114 WeakPolarHBondContact CA-OD1 3.3Å; T110-N114 PolarHBondContact N-OD1 3.45Å; T110-N114 PolarHBondContact OG1-ND2 3.38Å; E111-N114 HydrophobicContact CB-CB 4.38Å; E111-N114 PolarHBondContact N-OD1 2.68Å; E111-N114 PolarHBondContact O-N 3.26Å; E111-N114 PolarHBondContact O-OD1 3.44Å; E111-N114 VanDerWaalsContact O-OD1 3.08Å; N114-Y125 PolarHBondContact N-O 3.49Å; N114-I274 VanDerWaalsContact O-CD1 3.26Å; N114-I274 WeakPolarHBondContact O-CD1 3.31Å
115	G	97	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.212	C	C	.	.			trans	-108.8	-11.8	-173.6	0	0	0	0	0	116.5	H107 W108 Y125 A126 I274	H107-G115 CarbonylContact C-O 3.54Å; H107-G115 VanDerWaalsContact C-O 3.32Å; W108-G115 VanDerWaalsContact CA-O 3.31Å; W108-G115 WeakPolarHBondContact CA-O 3.44Å; W108-G115 PolarHBondContact N-O 3.47Å; G115-Y125 CarbonylContact C-O 3.6Å; G115-Y125 WeakPolarHBondContact CA-O 3.14Å; G115-Y125 PolarHBondContact N-O 3.05Å; G115-A126 WeakPolarHBondContact CA-O 3.42Å; G115-I274 VanDerWaalsContact O-CG2 3.31Å; G115-I274 WeakPolarHBondContact O-CG2 3.49Å
116	S	98.4	Very high	96.7	Very high	6 Å²	6	34 Å²	34	4%	0.042	21%	0.207	C	C	.	.			trans	-77.8	151.9	168.8	64.1	0	0	0	0	111.7	H118 G124 Y125 E128	S116-H118 VanDerWaalsContact CB-O 3.29Å; S116-H118 WeakPolarHBondContact CB-O 3.43Å; S116-H118 PolarHBondContact OG-O 2.75Å; S116-G124 VanDerWaalsContact OG-CA 3.27Å; S116-G124 WeakPolarHBondContact OG-CA 3.34Å; S116-Y125 PolarHBondContact N-O 3.12Å; S116-Y125 PolarHBondContact OG-N 2.94Å; S116-E128 WeakPolarHBondContact CB-OE2 3.3Å
117	E	98.3	Very high	96.7	Very high	3 Å²	3	34 Å²	34	1%	0.014	21%	0.207	C	C	.	.	S	Bend	trans	-83	-50.4	174.6	-71.5	-149.4	114.7	0	0	110	P29 H107 E128 H130 T225 I274 R275	P29-E117 HydrophobicContact CB-CB 3.76Å; P29-E117 VanDerWaalsContact CB-O 3.23Å; P29-E117 WeakPolarHBondContact CB-O 3.4Å; P29-E117 HydrophobicContact CG-CB 3.74Å; P29-E117 WeakPolarHBondContact CG-O 3.48Å; H107-E117 HydrophobicContact CB-CG 3.76Å; H107-E117 IonicContact CD2-OE2 3.87Å; H107-E117 VanDerWaalsContact CE1-CD 3.47Å; H107-E117 IonicContact CE1-OE1 3.81Å; H107-E117 IonicContact CE1-OE2 3.27Å; H107-E117 PolarHBondContact CE1-OE2 3.02Å; H107-E117 IonicContact CG-OE2 3.94Å; H107-E117 IonicContact ND1-OE1 2.91Å; H107-E117 IonicContact ND1-OE2 3.95Å; H107-E117 IonicContact NE2-OE2 2.71Å; H107-E117 PolarHBondContact NE2-OE2 3Å; E117-E128 PolarHBondContact N-OE2 2.65Å; E117-H130 IonicContact OE2-CE1 3.66Å; E117-H130 PolarHBondContact OE2-CE1 2.82Å; E117-H130 VanDerWaalsContact OE2-CE1 3.27Å; E117-T225 WeakPolarHBondContact OE2-CB 3.43Å; E117-T225 WeakPolarHBondContact OE2-CG2 3.36Å; E117-T225 PolarHBondContact OE2-OG1 2.79Å; E117-I274 HydrophobicContact CG-CB 4.11Å; E117-R275 WeakPolarHBondContact OE1-CB 3.41Å; E117-R275 PolarHBondContact OE1-N 3.03Å
118	H	98.6	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-71.6	150.9	167.2	-66.8	89.4	0	0	0	110.2	S116 E128 F157 Y220 W235	S116-H118 VanDerWaalsContact CB-O 3.29Å; S116-H118 WeakPolarHBondContact CB-O 3.43Å; S116-H118 PolarHBondContact OG-O 2.75Å; H118-E128 IonicContact CE1-OE1 3.37Å; H118-E128 IonicContact CG-OE1 3.08Å; H118-E128 PolarHBondContact N-OE2 3.37Å; H118-E128 IonicContact ND1-OE1 3.74Å; H118-E128 PolarHBondContact ND1-OE1 3.02Å; H118-E128 IonicContact ND1-OE2 3.61Å; H118-F157 HydrophobicContact CB-CE1 3.84Å; H118-F157 HydrophobicContact CB-CZ 3.79Å; H118-Y220 AromaticContact NE2-CE1 3.53Å; H118-Y220 AromaticContact NE2-CZ 3.48Å; H118-Y220 PolarHBondContact NE2-OH 3.08Å; H118-W235 AromaticContact CE1-CD2 3.95Å; H118-W235 AromaticContact CE1-CE3 3.71Å; H118-W235 AromaticContact CE1-CZ3 3.81Å
119	V	98.1	Very high	96.8	Very high	23 Å²	23	33.9 Å²	33.9	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.2	172.1	-59.1	0	0	0	0	108.8	I30 D31 I32 V123 V277	I30-V119 PolarHBondContact O-N 3.5Å; D31-V119 WeakPolarHBondContact CA-O 3.43Å; D31-V119 HydrophobicContact CB-CG2 3.55Å; I32-V119 PolarHBondContact N-O 2.8Å; V119-V123 CarbonylContact C-O 3.53Å; V119-V123 VanDerWaalsContact CA-O 3.31Å; V119-V123 WeakPolarHBondContact CA-O 3.23Å; V119-V123 WeakPolarHBondContact CB-O 3.34Å; V119-V277 HydrophobicContact CG1-CG2 4.27Å; V119-V277 HydrophobicContact CG2-CG2 3.73Å
120	I	96.9	Very high	97	Very high	34 Å²	34	34 Å²	34	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	104.9	180	-51.2	-57.1	0	0	0	108.7	I32 G122 V123 Y125 F157 W218	I32-I120 HydrophobicContact CB-CD1 3.83Å; I32-I120 HydrophobicContact CD1-CD1 4.25Å; I32-I120 HydrophobicContact CG1-CD1 4.45Å; I32-I120 HydrophobicContact CG2-CD1 4.44Å; I32-I120 WeakPolarHBondContact O-CA 3.4Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.36Å; I120-V123 PolarHBondContact N-O 3.45Å; I120-V123 PolarHBondContact O-N 3.26Å; I120-Y125 HydrophobicContact CG1-CE2 4.13Å; I120-F157 HydrophobicContact CD1-CE2 3.89Å; I120-F157 HydrophobicContact CD1-CZ 3.92Å; I120-F157 HydrophobicContact CG1-CE2 4Å; I120-F157 HydrophobicContact CG1-CZ 4.16Å; I120-W218 HydrophobicContact CD1-CE3 4.27Å; I120-W218 HydrophobicContact CD1-CH2 3.79Å; I120-W218 HydrophobicContact CD1-CZ3 3.61Å; I120-W218 HydrophobicContact CG1-CH2 4.32Å; I120-W218 HydrophobicContact CG1-CZ3 4.39Å; I120-W218 HydrophobicContact CG2-CH2 4.09Å
121	G	95.6	Very high	97.1	Very high	50 Å²	50	30.7 Å²	30.7	52%	0.515	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	38.5	-176	0	0	0	0	0	112.5	D31 I32 V123	D31-G121 WeakPolarHBondContact OD1-CA 3.45Å; D31-G121 PolarHBondContact OD1-N 3.35Å; I32-G121 PolarHBondContact O-N 2.92Å; I32-G121 VanDerWaalsContact O-N 3.1Å; G121-V123 VanDerWaalsContact C-N 3.31Å; G121-V123 PolarHBondContact O-N 3.37Å
122	G	95.8	Very high	97.3	Very high	54 Å²	54	25.8 Å²	25.8	56%	0.557	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	1.9	-177.6	0	0	0	0	0	115.7	D31 I120	D31-G122 PolarHBondContact OD1-N 2.01Å; D31-G122 PolarHBondContact OD2-N 3.23Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.36Å
123	V	96.2	Very high	97.4	Very high	67 Å²	67	22.7 Å²	22.7	41%	0.406	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-102.9	124.4	178.9	173.2	0	0	0	0	110.9	M113 V119 I120 G121	M113-V123 HydrophobicContact CE-CB 4.41Å; M113-V123 HydrophobicContact CE-CG1 3.28Å; M113-V123 HydrophobicContact CE-CG2 4.41Å; V119-V123 CarbonylContact C-O 3.53Å; V119-V123 VanDerWaalsContact CA-O 3.31Å; V119-V123 WeakPolarHBondContact CA-O 3.23Å; V119-V123 WeakPolarHBondContact CB-O 3.34Å; I120-V123 PolarHBondContact N-O 3.45Å; I120-V123 PolarHBondContact O-N 3.26Å; G121-V123 VanDerWaalsContact C-N 3.31Å; G121-V123 PolarHBondContact O-N 3.37Å
124	G	97	Very high	97.5	Very high	7 Å²	7	18.4 Å²	18.4	7%	0.072	12%	0.123	C	C	.	.			trans	-93.4	177.2	172.8	0	0	0	0	0	113.4	M113 S116	M113-G124 WeakPolarHBondContact CA-O 3.35Å; M113-G124 CarbonylContact O-C 3.43Å; M113-G124 WeakPolarHBondContact O-CA 3.25Å; S116-G124 VanDerWaalsContact OG-CA 3.27Å; S116-G124 WeakPolarHBondContact OG-CA 3.34Å
125	Y	98.1	Very high	97.6	Very high	53 Å²	53	16.3 Å²	16.3	21%	0.208	11%	0.111	C	C	.	.			trans	-118	177.7	175.8	-71.2	-95	0	0	0	110.3	P112 M113 N114 G115 S116 I120 G127 F157 L158 N159 A241	P112-Y125 CarbonylContact O-C 3.56Å; M113-Y125 CarbonylContact C-O 3.6Å; N114-Y125 PolarHBondContact N-O 3.49Å; G115-Y125 CarbonylContact C-O 3.6Å; G115-Y125 WeakPolarHBondContact CA-O 3.14Å; G115-Y125 PolarHBondContact N-O 3.05Å; S116-Y125 PolarHBondContact N-O 3.12Å; S116-Y125 PolarHBondContact OG-N 2.94Å; I120-Y125 HydrophobicContact CG1-CE2 4.13Å; Y125-G127 VanDerWaalsContact C-N 3.28Å; Y125-G127 PolarHBondContact O-N 3.22Å; Y125-F157 HydrophobicContact CD1-CB 3.95Å; Y125-F157 HydrophobicContact CD1-CG 4.48Å; Y125-F157 HydrophobicContact CD2-CB 3.78Å; Y125-F157 AromaticContact CD2-CD1 3.51Å; Y125-F157 HydrophobicContact CD2-CD1 3.51Å; Y125-F157 AromaticContact CD2-CD2 3.85Å; Y125-F157 HydrophobicContact CD2-CD2 3.85Å; Y125-F157 AromaticContact CD2-CE1 3.99Å; Y125-F157 HydrophobicContact CD2-CE1 3.99Å; Y125-F157 HydrophobicContact CD2-CE2 4.3Å; Y125-F157 AromaticContact CD2-CG 3.42Å; Y125-F157 HydrophobicContact CD2-CG 3.42Å; Y125-F157 VanDerWaalsContact CD2-CG 3.42Å; Y125-F157 HydrophobicContact CD2-CZ 4.36Å; Y125-F157 HydrophobicContact CE1-CB 4.36Å; Y125-F157 HydrophobicContact CE2-CB 4.22Å; Y125-F157 HydrophobicContact CE2-CD1 4.18Å; Y125-F157 AromaticContact CE2-CD2 3.68Å; Y125-F157 HydrophobicContact CE2-CD2 3.68Å; Y125-F157 HydrophobicContact CE2-CE1 4.49Å; Y125-F157 HydrophobicContact CE2-CE2 4.03Å; Y125-F157 AromaticContact CE2-CG 3.76Å; Y125-F157 HydrophobicContact CE2-CG 3.76Å; Y125-F157 HydrophobicContact CE2-CZ 4.41Å; Y125-F157 HydrophobicContact CG-CB 3.63Å; Y125-F157 HydrophobicContact CG-CD1 4.02Å; Y125-F157 AromaticContact CG-CG 3.83Å; Y125-F157 HydrophobicContact CG-CG 3.83Å; Y125-L158 WeakPolarHBondContact CB-O 3.33Å; Y125-N159 HydrophobicContact CD1-CB 4.12Å; Y125-N159 HydrophobicContact CE1-CB 4.47Å; Y125-A241 HydrophobicContact CD1-CB 4.04Å; Y125-A241 HydrophobicContact CE1-CB 3.83Å
126	A	97.8	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-72.2	-26.5	-175	0	0	0	0	0	112.2	P112 G115 L158 E160 I249	P112-A126 WeakPolarHBondContact O-CA 3.49Å; P112-A126 PolarHBondContact O-N 2.9Å; G115-A126 WeakPolarHBondContact CA-O 3.42Å; A126-L158 WeakPolarHBondContact CB-O 3.21Å; A126-L158 PolarHBondContact N-O 3.31Å; A126-E160 HydrophobicContact CB-CB 3.85Å; A126-I249 HydrophobicContact CB-CD1 3.61Å; A126-I249 VanDerWaalsContact O-CD1 3.25Å; A126-I249 WeakPolarHBondContact O-CD1 3.46Å
127	G	98.4	Very high	97.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	177.3	173.4	0	0	0	0	0	112.2	H107 Y125 L158	H107-G127 CarbonylContact O-C 3.52Å; H107-G127 WeakPolarHBondContact O-CA 3.29Å; Y125-G127 VanDerWaalsContact C-N 3.28Å; Y125-G127 PolarHBondContact O-N 3.22Å; G127-L158 PolarHBondContact N-O 2.75Å; G127-L158 PolarHBondContact O-N 3.1Å
128	E	98.8	Very high	97.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	119.5	177.3	-173.5	172.8	157	0	0	110.6	C106 H107 S116 E117 H118 H130 A155 V156 F157	C106-E128 CarbonylContact C-O 3.46Å; C106-E128 WeakPolarHBondContact CA-O 3.39Å; H107-E128 PolarHBondContact N-O 3.37Å; H107-E128 PolarHBondContact O-N 2.86Å; S116-E128 WeakPolarHBondContact CB-OE2 3.3Å; E117-E128 PolarHBondContact N-OE2 2.65Å; H118-E128 IonicContact CE1-OE1 3.37Å; H118-E128 IonicContact CG-OE1 3.08Å; H118-E128 PolarHBondContact N-OE2 3.37Å; H118-E128 IonicContact ND1-OE1 3.74Å; H118-E128 PolarHBondContact ND1-OE1 3.02Å; H118-E128 IonicContact ND1-OE2 3.61Å; E128-H130 IonicContact OE1-CD2 3.27Å; E128-H130 IonicContact OE1-NE2 2.71Å; E128-H130 PolarHBondContact OE1-NE2 3.38Å; E128-H130 VanDerWaalsContact OE1-NE2 3.08Å; E128-A155 HydrophobicContact CG-CB 4.25Å; E128-A155 VanDerWaalsContact OE1-CB 3.24Å; E128-A155 WeakPolarHBondContact OE1-CB 3.24Å; E128-V156 CarbonylContact C-O 3.51Å; E128-V156 WeakPolarHBondContact CA-O 3.5Å; E128-F157 HydrophobicContact CB-CD1 4.46Å; E128-F157 HydrophobicContact CG-CD1 4.26Å; E128-F157 HydrophobicContact CG-CE1 4.42Å; E128-F157 WeakPolarHBondContact OE2-CE1 3.37Å
129	V	98.6	Very high	96.7	Very high	2 Å²	2	26 Å²	26	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.5	176.8	179.6	0	0	0	0	109.2	I104 H105 C106 L131 A155 V156 L158	I104-V129 HydrophobicContact CG2-CG1 3.53Å; H105-V129 CarbonylContact O-C 3.58Å; H105-V129 WeakPolarHBondContact O-CA 3.26Å; C106-V129 HydrophobicContact CB-CG2 4.3Å; V129-L131 HydrophobicContact CG1-CD1 4.07Å; V129-A155 WeakPolarHBondContact O-CA 3.33Å; V129-V156 HydrophobicContact CB-CB 4.44Å; V129-V156 PolarHBondContact N-O 3.06Å; V129-V156 PolarHBondContact O-N 3.42Å; V129-L158 HydrophobicContact CG2-CD1 4.02Å; V129-L158 HydrophobicContact CG2-CD2 3.99Å; V129-L158 HydrophobicContact CG2-CG 4.06Å
130	H	98.7	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118	175.6	-71.1	161.6	0	0	0	110.7	I104 H105 H107 E117 E128 V132 V153 L154 W235	I104-H130 VanDerWaalsContact CA-O 3.28Å; I104-H130 WeakPolarHBondContact CA-O 3.37Å; H105-H130 WeakPolarHBondContact CE1-CB 3.25Å; H105-H130 AromaticContact CE1-CG 3.98Å; H105-H130 AromaticContact CE1-ND1 3.76Å; H105-H130 PolarHBondContact N-O 3.31Å; H105-H130 AromaticContact NE2-CG 3.79Å; H105-H130 AromaticContact NE2-ND1 3.21Å; H105-H130 PolarHBondContact NE2-ND1 3.29Å; H105-H130 PolarHBondContact O-N 3.13Å; H107-H130 AromaticContact CD2-CE1 3.28Å; H107-H130 PolarHBondContact CD2-CE1 2.89Å; H107-H130 AromaticContact CD2-ND1 3.29Å; H107-H130 PolarHBondContact CD2-ND1 2.84Å; H107-H130 VanDerWaalsContact CD2-ND1 3.29Å; H107-H130 AromaticContact NE2-CE1 3.33Å; H107-H130 PolarHBondContact NE2-CE1 2.89Å; H107-H130 VanDerWaalsContact NE2-CE1 3.33Å; H107-H130 AromaticContact NE2-ND1 3.12Å; H107-H130 PolarHBondContact NE2-ND1 2.77Å; H107-H130 VanDerWaalsContact NE2-ND1 3.12Å; E117-H130 IonicContact OE2-CE1 3.66Å; E117-H130 PolarHBondContact OE2-CE1 2.82Å; E117-H130 VanDerWaalsContact OE2-CE1 3.27Å; E128-H130 IonicContact OE1-CD2 3.27Å; E128-H130 IonicContact OE1-NE2 2.71Å; E128-H130 PolarHBondContact OE1-NE2 3.38Å; E128-H130 VanDerWaalsContact OE1-NE2 3.08Å; H130-V132 HydrophobicContact CB-CG2 4.39Å; H130-V153 HydrophobicContact CB-CG1 4.02Å; H130-L154 WeakPolarHBondContact CA-O 3.36Å; H130-W235 AromaticContact CD2-CH2 3.98Å; H130-W235 AromaticContact CD2-CZ3 3.68Å; H130-W235 AromaticContact CE1-CH2 3.6Å; H130-W235 AromaticContact NE2-CH2 3.51Å; H130-W235 AromaticContact NE2-CZ3 3.47Å; H130-W235 WeakPolarHBondContact NE2-CZ3 3.44Å
131	L	98.2	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112	166.8	-62.6	82.6	0	0	0	107.8	Y52 L101 I104 V129 H133 V153 L154 V156 I197	Y52-L131 HydrophobicContact CE2-CD2 4.27Å; L101-L131 HydrophobicContact CD1-CB 3.97Å; I104-L131 HydrophobicContact CD1-CD2 4.06Å; I104-L131 HydrophobicContact CD1-CG 4.07Å; I104-L131 HydrophobicContact CG1-CB 4.42Å; I104-L131 HydrophobicContact CG1-CD2 4.42Å; I104-L131 HydrophobicContact CG1-CG 3.98Å; I104-L131 HydrophobicContact CG2-CG 4.09Å; V129-L131 HydrophobicContact CG1-CD1 4.07Å; L131-H133 PolarHBondContact O-CE1 3.08Å; L131-H133 PolarHBondContact O-ND1 3.09Å; L131-V153 WeakPolarHBondContact O-CA 3.36Å; L131-L154 HydrophobicContact CB-CB 4.19Å; L131-L154 HydrophobicContact CB-CD1 4.49Å; L131-L154 HydrophobicContact CD1-CB 4.34Å; L131-L154 PolarHBondContact N-O 3.12Å; L131-L154 PolarHBondContact O-N 3.39Å; L131-V156 HydrophobicContact CD1-CG2 4.38Å; L131-I197 HydrophobicContact CD2-CD1 4.05Å; L131-I197 HydrophobicContact CD2-CG1 3.94Å
132	V	98	Very high	96.4	Very high	13 Å²	13	32.5 Å²	32.5	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.8	-171.5	-177.7	0	0	0	0	110.5	M102 Q103 H130 F151 V153	M102-V132 PolarHBondContact N-O 3.06Å; Q103-V132 HydrophobicContact CG-CB 4.21Å; Q103-V132 PolarHBondContact O-N 2.79Å; H130-V132 HydrophobicContact CB-CG2 4.39Å; V132-F151 HydrophobicContact CG1-CD1 4.07Å; V132-V153 HydrophobicContact CG1-CG2 4.28Å; V132-V153 HydrophobicContact CG2-CG1 4.42Å; V132-V153 HydrophobicContact CG2-CG2 4.27Å
133	H	97.6	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.8	-179.5	-40.5	72.7	0	0	0	110.7	Y52 Y99 I100 L101 L131 F151 A152	Y52-H133 AromaticContact CZ-NE2 3.64Å; Y52-H133 PolarHBondContact OH-CD2 3.22Å; Y52-H133 PolarHBondContact OH-NE2 2.93Å; Y99-H133 HydrophobicContact CD1-CB 4.42Å; Y99-H133 HydrophobicContact CG-CB 4.4Å; I100-H133 CarbonylContact O-C 3.53Å; I100-H133 WeakPolarHBondContact O-CA 3.43Å; L101-H133 VanDerWaalsContact CA-CD2 3.46Å; L101-H133 WeakPolarHBondContact CA-CD2 3.46Å; L131-H133 PolarHBondContact O-CE1 3.08Å; L131-H133 PolarHBondContact O-ND1 3.09Å; H133-F151 CarbonylContact O-C 3.21Å; H133-F151 WeakPolarHBondContact O-CA 3.48Å; H133-F151 WeakPolarHBondContact O-CB 3.3Å; H133-F151 WeakPolarHBondContact O-CD1 3.19Å; H133-A152 WeakPolarHBondContact CA-O 3.41Å; H133-A152 HydrophobicContact CB-CB 4.47Å; H133-A152 WeakPolarHBondContact CB-O 3.28Å; H133-A152 PolarHBondContact N-O 3.3Å; H133-A152 PolarHBondContact ND1-O 2.65Å; H133-A152 PolarHBondContact O-N 2.86Å
134	R	96.9	Very high	96.6	Very high	28 Å²	28	29.8 Å²	29.8	11%	0.106	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.8	175.7	178.4	-171.8	66.9	132.7	-4	111	Y99 I100 M102 I136 Y138 S139 T140 A144 F151	Y99-R134 CarbonylContact C-O 3.57Å; Y99-R134 VanDerWaalsContact CA-O 3.25Å; Y99-R134 WeakPolarHBondContact CA-O 3.42Å; Y99-R134 VanDerWaalsContact CD1-C 3.46Å; I100-R134 WeakPolarHBondContact CG1-O 3.24Å; I100-R134 PolarHBondContact N-O 3.11Å; I100-R134 PolarHBondContact O-N 3.06Å; M102-R134 HydrophobicContact CG-CB 4.04Å; M102-R134 HydrophobicContact SD-CB 3.43Å; M102-R134 WeakPolarHBondContact SD-CB 3.4Å; M102-R134 HydrophobicContact SD-CG 4.27Å; R134-I136 PolarHBondContact O-N 2.77Å; R134-Y138 PolarHBondContact NH1-O 2.96Å; R134-S139 PolarHBondContact NH1-O 2.78Å; R134-T140 VanDerWaalsContact NH1-CA 3.33Å; R134-A144 HydrophobicContact CG-CB 3.8Å; R134-F151 HydrophobicContact CB-CD1 4.1Å; R134-F151 HydrophobicContact CB-CE1 3.98Å; R134-F151 HydrophobicContact CG-CE1 4.21Å
135	N	97	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.1	176.2	-171.4	-31.6	0	0	0	110.4	A97 Y99 N137 Y138 D149 G150	A97-N135 VanDerWaalsContact CB-OD1 3.3Å; A97-N135 WeakPolarHBondContact CB-OD1 3.37Å; Y99-N135 VanDerWaalsContact CD1-CA 3.48Å; Y99-N135 HydrophobicContact CD1-CB 3.87Å; Y99-N135 HydrophobicContact CE1-CB 3.46Å; Y99-N135 VanDerWaalsContact CE1-CB 3.46Å; Y99-N135 PolarHBondContact OH-ND2 2.94Å; N135-N137 PolarHBondContact O-N 3.1Å; N135-N137 VanDerWaalsContact O-N 3.16Å; N135-N137 WeakPolarHBondContact OD1-CB 3.33Å; N135-N137 PolarHBondContact OD1-N 2.84Å; N135-N137 PolarHBondContact OD1-ND2 2.89Å; N135-Y138 HydrophobicContact CB-CD2 3.66Å; N135-Y138 HydrophobicContact CB-CE2 3.86Å; N135-Y138 PolarHBondContact O-N 3.39Å; N135-Y138 VanDerWaalsContact O-N 3.13Å; N135-D149 WeakPolarHBondContact CB-O 3.45Å; N135-D149 PolarHBondContact ND2-O 3.07Å; N135-D149 PolarHBondContact ND2-OD2 3.02Å; N135-G150 WeakPolarHBondContact CB-O 3.35Å; N135-G150 PolarHBondContact N-O 2.9Å
136	I	94.2	Very high	96.5	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.062	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.7	-176.6	67.6	169.9	0	0	0	113.4	I79 R83 I86 T98 I100 R134 Y138	I79-I136 HydrophobicContact CG2-CG2 4.5Å; R83-I136 HydrophobicContact CG-CD1 4.24Å; I86-I136 HydrophobicContact CD1-CD1 3.88Å; T98-I136 HydrophobicContact CG2-CD1 4.3Å; T98-I136 HydrophobicContact CG2-CG2 4.39Å; T98-I136 WeakPolarHBondContact O-CG1 3.43Å; T98-I136 PolarHBondContact O-N 3.38Å; I100-I136 HydrophobicContact CB-CG2 4.37Å; I100-I136 HydrophobicContact CG1-CG2 4.19Å; I100-I136 HydrophobicContact CG2-CG2 3.54Å; R134-I136 PolarHBondContact O-N 2.77Å; I136-Y138 PolarHBondContact O-N 2.63Å
137	N	94.6	Very high	96.5	Very high	84 Å²	84	38.1 Å²	38.1	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.8	177.4	-64.3	-31.7	0	0	0	112.3	N135	N135-N137 PolarHBondContact O-N 3.1Å; N135-N137 VanDerWaalsContact O-N 3.16Å; N135-N137 WeakPolarHBondContact OD1-CB 3.33Å; N135-N137 PolarHBondContact OD1-N 2.84Å; N135-N137 PolarHBondContact OD1-ND2 2.89Å
138	Y	94.9	Very high	96.5	Very high	38 Å²	38	40.9 Å²	40.9	15%	0.149	22%	0.217	C	C	.	.	S	Bend	trans	-106.6	110.1	175.7	-52	-51.8	0	0	0	109.8	R134 N135 I136 T140 E143 A144 H147 D149	R134-Y138 PolarHBondContact NH1-O 2.96Å; N135-Y138 HydrophobicContact CB-CD2 3.66Å; N135-Y138 HydrophobicContact CB-CE2 3.86Å; N135-Y138 PolarHBondContact O-N 3.39Å; N135-Y138 VanDerWaalsContact O-N 3.13Å; I136-Y138 PolarHBondContact O-N 2.63Å; Y138-T140 VanDerWaalsContact C-N 3.26Å; Y138-T140 PolarHBondContact O-N 3.11Å; Y138-E143 HydrophobicContact CD1-CG 4.21Å; Y138-A144 HydrophobicContact CD2-CB 4.06Å; Y138-A144 HydrophobicContact CG-CB 4.32Å; Y138-H147 AromaticContact CD1-CD2 3.54Å; Y138-H147 AromaticContact CD1-NE2 3.89Å; Y138-H147 HydrophobicContact CD2-CB 4.46Å; Y138-H147 HydrophobicContact CE1-CB 4.12Å; Y138-H147 AromaticContact CE1-CD2 3.25Å; Y138-H147 WeakPolarHBondContact CE1-CD2 3.3Å; Y138-H147 AromaticContact CE1-CG 3.53Å; Y138-H147 AromaticContact CE1-NE2 3.6Å; Y138-H147 HydrophobicContact CE2-CB 3.68Å; Y138-H147 VanDerWaalsContact CZ-CB 3.47Å; Y138-H147 AromaticContact CZ-CD2 3.57Å; Y138-H147 AromaticContact CZ-CG 3.41Å; Y138-H147 VanDerWaalsContact CZ-CG 3.41Å; Y138-H147 WeakPolarHBondContact OH-CB 3.41Å; Y138-D149 WeakPolarHBondContact CE2-OD1 3.38Å; Y138-D149 PolarHBondContact OH-OD1 3.35Å; Y138-D149 PolarHBondContact OH-OD2 2.82Å
139	S	90.2	Very high	96.5	Very high	78 Å²	78	42.4 Å²	42.4	55%	0.545	23%	0.225	S	C	.	.	S	Bend	trans	-67.7	-19.7	-170.4	62.5	0	0	0	0	114.8	R134	R134-S139 PolarHBondContact NH1-O 2.78Å
140	T	93.7	Very high	96.5	Very high	66 Å²	66	42.3 Å²	42.3	41%	0.405	23%	0.225	S	C	.	.	S	Bend	trans	-130.5	159.7	176.8	67.2	0	0	0	0	112.6	R134 Y138 D142 E143 A144	R134-T140 VanDerWaalsContact NH1-CA 3.33Å; Y138-T140 VanDerWaalsContact C-N 3.26Å; Y138-T140 PolarHBondContact O-N 3.11Å; T140-D142 VanDerWaalsContact C-N 3.31Å; T140-E143 PolarHBondContact O-N 3.07Å; T140-E143 WeakPolarHBondContact OG1-CB 3.36Å; T140-E143 PolarHBondContact OG1-N 2.71Å; T140-E143 VanDerWaalsContact OG1-N 3.14Å; T140-A144 PolarHBondContact O-N 2.88Å
141	V	94.3	Very high	96.5	Very high	59 Å²	59	42.6 Å²	42.6	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-59.4	-45	171.2	169.9	0	0	0	0	110.4	M102 E143 A144 L145 F151	M102-V141 HydrophobicContact CE-CG2 3.41Å; M102-V141 VanDerWaalsContact CE-CG2 3.41Å; M102-V141 HydrophobicContact SD-CG2 4.16Å; V141-E143 PolarHBondContact O-N 2.76Å; V141-A144 PolarHBondContact O-N 2.83Å; V141-L145 HydrophobicContact CG1-CD1 4.02Å; V141-L145 HydrophobicContact CG1-CG 4.26Å; V141-L145 VanDerWaalsContact O-CG 3.3Å; V141-L145 WeakPolarHBondContact O-CG 3.47Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-F151 HydrophobicContact CG1-CZ 4.21Å
142	D	96.1	Very high	96.5	Very high	119 Å²	119	42.6 Å²	42.6	64%	0.636	23%	0.226	S	C	*	.	H	α-helix	trans	-59.4	-34	-180	-72.4	-19.6	0	0	0	112.8	T140 K146	T140-D142 VanDerWaalsContact C-N 3.31Å; D142-K146 VanDerWaalsContact O-CE 3.29Å; D142-K146 WeakPolarHBondContact O-CE 3.31Å
143	E	97.5	Very high	96.6	Very high	64 Å²	64	42.1 Å²	42.1	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-75.1	-47.8	174.7	-173.1	57.3	-158.8	0	0	111.5	Y138 T140 V141 L145 K146 H147	Y138-E143 HydrophobicContact CD1-CG 4.21Å; T140-E143 PolarHBondContact O-N 3.07Å; T140-E143 WeakPolarHBondContact OG1-CB 3.36Å; T140-E143 PolarHBondContact OG1-N 2.71Å; T140-E143 VanDerWaalsContact OG1-N 3.14Å; V141-E143 PolarHBondContact O-N 2.76Å; E143-L145 PolarHBondContact O-N 2.91Å; E143-K146 WeakPolarHBondContact O-CB 3.18Å; E143-K146 PolarHBondContact O-N 3.42Å; E143-K146 IonicContact OE2-NZ 2.72Å; E143-K146 PolarHBondContact OE2-NZ 2.71Å; E143-H147 PolarHBondContact O-CD2 2.55Å; E143-H147 IonicContact OE1-CD2 3.66Å; E143-H147 IonicContact OE1-CE1 3.58Å; E143-H147 IonicContact OE1-NE2 3.3Å; E143-H147 PolarHBondContact OE1-NE2 3.24Å
144	A	97.7	Very high	96.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.2	-38.3	178.2	0	0	0	0	0	112.4	R134 Y138 T140 V141 K146 H147 G150 F151	R134-A144 HydrophobicContact CG-CB 3.8Å; Y138-A144 HydrophobicContact CD2-CB 4.06Å; Y138-A144 HydrophobicContact CG-CB 4.32Å; T140-A144 PolarHBondContact O-N 2.88Å; V141-A144 PolarHBondContact O-N 2.83Å; A144-K146 PolarHBondContact O-N 2.81Å; A144-H147 PolarHBondContact O-N 2.92Å; A144-H147 VanDerWaalsContact O-N 3.11Å; A144-G150 VanDerWaalsContact O-CA 3.31Å; A144-G150 WeakPolarHBondContact O-CA 3.4Å; A144-F151 HydrophobicContact CB-CD2 4.34Å; A144-F151 HydrophobicContact CB-CE2 3.64Å; A144-F151 HydrophobicContact CB-CZ 3.79Å
145	L	97	Very high	96.7	Very high	40 Å²	40	40.8 Å²	40.8	21%	0.209	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-15.4	177.4	-75.4	171.9	0	0	0	114.6	V141 E143 F151 L224	V141-L145 HydrophobicContact CG1-CD1 4.02Å; V141-L145 HydrophobicContact CG1-CG 4.26Å; V141-L145 VanDerWaalsContact O-CG 3.3Å; V141-L145 WeakPolarHBondContact O-CG 3.47Å; V141-L145 PolarHBondContact O-N 3.24Å; E143-L145 PolarHBondContact O-N 2.91Å; L145-F151 HydrophobicContact CD2-CE2 3.86Å; L145-F151 HydrophobicContact CD2-CZ 4.32Å; L145-F151 HydrophobicContact CG-CE2 4.07Å; L145-F151 HydrophobicContact CG-CZ 4.37Å; L145-L224 HydrophobicContact CD2-CD1 3.66Å
146	K	97.1	Very high	96.8	Very high	142 Å²	142	40.8 Å²	40.8	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-11.1	-178.8	-57.3	172.1	-165.4	159.6	0	113.5	D142 E143 A144	D142-K146 VanDerWaalsContact O-CE 3.29Å; D142-K146 WeakPolarHBondContact O-CE 3.31Å; E143-K146 WeakPolarHBondContact O-CB 3.18Å; E143-K146 PolarHBondContact O-N 3.42Å; E143-K146 IonicContact OE2-NZ 2.72Å; E143-K146 PolarHBondContact OE2-NZ 2.71Å; A144-K146 PolarHBondContact O-N 2.81Å
147	H	98.2	Very high	97	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.245	22%	0.215	C	C	.	.	S	Bend	trans	-114.2	140.3	-173.8	-61.9	-77.1	0	0	0	111.3	Y138 E143 A144 D149 G150 C232	Y138-H147 AromaticContact CD1-CD2 3.54Å; Y138-H147 AromaticContact CD1-NE2 3.89Å; Y138-H147 HydrophobicContact CD2-CB 4.46Å; Y138-H147 HydrophobicContact CE1-CB 4.12Å; Y138-H147 AromaticContact CE1-CD2 3.25Å; Y138-H147 WeakPolarHBondContact CE1-CD2 3.3Å; Y138-H147 AromaticContact CE1-CG 3.53Å; Y138-H147 AromaticContact CE1-NE2 3.6Å; Y138-H147 HydrophobicContact CE2-CB 3.68Å; Y138-H147 VanDerWaalsContact CZ-CB 3.47Å; Y138-H147 AromaticContact CZ-CD2 3.57Å; Y138-H147 AromaticContact CZ-CG 3.41Å; Y138-H147 VanDerWaalsContact CZ-CG 3.41Å; Y138-H147 WeakPolarHBondContact OH-CB 3.41Å; E143-H147 PolarHBondContact O-CD2 2.55Å; E143-H147 IonicContact OE1-CD2 3.66Å; E143-H147 IonicContact OE1-CE1 3.58Å; E143-H147 IonicContact OE1-NE2 3.3Å; E143-H147 PolarHBondContact OE1-NE2 3.24Å; A144-H147 PolarHBondContact O-N 2.92Å; A144-H147 VanDerWaalsContact O-N 3.11Å; H147-D149 PolarHBondContact O-N 3.43Å; H147-G150 PolarHBondContact O-N 3.38Å; H147-C232 WeakPolarHBondContact O-CA 3.25Å; H147-C232 WeakPolarHBondContact O-CB 3.18Å
148	P	97.7	Very high	97.2	Very high	59 Å²	59	36.4 Å²	36.4	38%	0.383	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.8	-177.4	25.4	-34.3	0	0	0	113.5	C232 V233	P148-C232 CarbonylContact O-C 3.54Å; P148-V233 PolarHBondContact O-N 2.96Å
149	D	98.5	Very high	97.3	Very high	31 Å²	31	37.9 Å²	37.9	17%	0.166	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	18.3	177.3	72.7	-34.2	0	0	0	112.4	P96 Y99 N135 Y138 H147 F151 I234	P96-D149 HydrophobicContact CG-CB 3.94Å; Y99-D149 VanDerWaalsContact CE1-O 3.27Å; Y99-D149 WeakPolarHBondContact CE1-O 3.42Å; Y99-D149 PolarHBondContact OH-O 3Å; N135-D149 WeakPolarHBondContact CB-O 3.45Å; N135-D149 PolarHBondContact ND2-O 3.07Å; N135-D149 PolarHBondContact ND2-OD2 3.02Å; Y138-D149 WeakPolarHBondContact CE2-OD1 3.38Å; Y138-D149 PolarHBondContact OH-OD1 3.35Å; Y138-D149 PolarHBondContact OH-OD2 2.82Å; H147-D149 PolarHBondContact O-N 3.43Å; D149-F151 PolarHBondContact O-N 3.02Å; D149-I234 HydrophobicContact CB-CD1 3.86Å; D149-I234 HydrophobicContact CB-CG1 4.5Å
150	G	98.5	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-57	-36.3	-177.7	0	0	0	0	0	113.7	N135 A144 H147 C232	N135-G150 WeakPolarHBondContact CB-O 3.35Å; N135-G150 PolarHBondContact N-O 2.9Å; A144-G150 VanDerWaalsContact O-CA 3.31Å; A144-G150 WeakPolarHBondContact O-CA 3.4Å; H147-G150 PolarHBondContact O-N 3.38Å; G150-C232 PolarHBondContact N-O 3.4Å
151	F	98.7	Very high	97.7	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.5	-178	-61.6	-94.6	0	0	0	111.5	Y99 M102 V132 H133 R134 V141 A144 L145 D149 C232 V233 I234	Y99-F151 VanDerWaalsContact CE1-C 3.44Å; M102-F151 HydrophobicContact SD-CE1 4.06Å; V132-F151 HydrophobicContact CG1-CD1 4.07Å; H133-F151 CarbonylContact O-C 3.21Å; H133-F151 WeakPolarHBondContact O-CA 3.48Å; H133-F151 WeakPolarHBondContact O-CB 3.3Å; H133-F151 WeakPolarHBondContact O-CD1 3.19Å; R134-F151 HydrophobicContact CB-CD1 4.1Å; R134-F151 HydrophobicContact CB-CE1 3.98Å; R134-F151 HydrophobicContact CG-CE1 4.21Å; V141-F151 HydrophobicContact CG1-CZ 4.21Å; A144-F151 HydrophobicContact CB-CD2 4.34Å; A144-F151 HydrophobicContact CB-CE2 3.64Å; A144-F151 HydrophobicContact CB-CZ 3.79Å; L145-F151 HydrophobicContact CD2-CE2 3.86Å; L145-F151 HydrophobicContact CD2-CZ 4.32Å; L145-F151 HydrophobicContact CG-CE2 4.07Å; L145-F151 HydrophobicContact CG-CZ 4.37Å; D149-F151 PolarHBondContact O-N 3.02Å; F151-C232 HydrophobicContact CD2-CB 4.24Å; F151-C232 VanDerWaalsContact CD2-SG 3.59Å; F151-C232 PolarHBondContact N-O 3.09Å; F151-V233 HydrophobicContact CB-CG2 4.26Å; F151-V233 WeakPolarHBondContact O-CA 3.31Å; F151-I234 PolarHBondContact O-N 3.35Å
152	A	98.8	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.1	164.8	0	0	0	0	0	107.2	L90 L95 Y99 H133 I234	L90-A152 HydrophobicContact CD2-CB 4.47Å; L95-A152 HydrophobicContact CD1-CB 4.22Å; L95-A152 HydrophobicContact CD2-CB 3.92Å; Y99-A152 HydrophobicContact CD1-CB 3.47Å; Y99-A152 VanDerWaalsContact CD1-CB 3.47Å; Y99-A152 HydrophobicContact CD2-CB 4.1Å; Y99-A152 HydrophobicContact CE1-CB 3.71Å; Y99-A152 HydrophobicContact CE2-CB 4.32Å; Y99-A152 HydrophobicContact CG-CB 3.71Å; H133-A152 WeakPolarHBondContact CA-O 3.41Å; H133-A152 HydrophobicContact CB-CB 4.47Å; H133-A152 WeakPolarHBondContact CB-O 3.28Å; H133-A152 PolarHBondContact N-O 3.3Å; H133-A152 PolarHBondContact ND1-O 2.65Å; H133-A152 PolarHBondContact O-N 2.86Å; A152-I234 WeakPolarHBondContact CA-O 3.34Å
153	V	98.8	Very high	97.7	Very high	4 Å²	4	40 Å²	40	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.7	179	-177	0	0	0	0	109.2	H130 L131 V132 V233 I234 W235 T236	H130-V153 HydrophobicContact CB-CG1 4.02Å; L131-V153 WeakPolarHBondContact O-CA 3.36Å; V132-V153 HydrophobicContact CG1-CG2 4.28Å; V132-V153 HydrophobicContact CG2-CG1 4.42Å; V132-V153 HydrophobicContact CG2-CG2 4.27Å; V153-V233 HydrophobicContact CB-CG1 3.79Å; V153-V233 HydrophobicContact CG2-CG1 3.52Å; V153-V233 HydrophobicContact CG2-CG2 4.46Å; V153-I234 PolarHBondContact N-O 3.36Å; V153-W235 HydrophobicContact CB-CD2 4.28Å; V153-W235 HydrophobicContact CB-CE3 3.86Å; V153-W235 HydrophobicContact CB-CH2 4.12Å; V153-W235 HydrophobicContact CB-CZ2 4.5Å; V153-W235 HydrophobicContact CB-CZ3 3.78Å; V153-W235 HydrophobicContact CG1-CE3 3.83Å; V153-W235 HydrophobicContact CG1-CH2 3.65Å; V153-W235 HydrophobicContact CG1-CZ2 4.47Å; V153-W235 HydrophobicContact CG1-CZ3 3.27Å; V153-T236 PolarHBondContact O-N 2.91Å
154	L	98.7	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.4	170.2	-51.9	177.8	0	0	0	108.1	F48 F50 L90 H130 L131 T236 F238	F48-L154 HydrophobicContact CE1-CD2 4.3Å; F50-L154 HydrophobicContact CE1-CD1 3.64Å; F50-L154 HydrophobicContact CZ-CD1 4.24Å; L90-L154 HydrophobicContact CD2-CD1 4.2Å; L90-L154 HydrophobicContact CD2-CD2 4.18Å; L90-L154 HydrophobicContact CD2-CG 4.28Å; H130-L154 WeakPolarHBondContact CA-O 3.36Å; L131-L154 HydrophobicContact CB-CB 4.19Å; L131-L154 HydrophobicContact CB-CD1 4.49Å; L131-L154 HydrophobicContact CD1-CB 4.34Å; L131-L154 PolarHBondContact N-O 3.12Å; L131-L154 PolarHBondContact O-N 3.39Å; L154-T236 CarbonylContact C-O 3.49Å; L154-T236 WeakPolarHBondContact CA-O 3.48Å; L154-T236 VanDerWaalsContact CD2-CB 3.49Å; L154-T236 HydrophobicContact CD2-CG2 3.85Å; L154-F238 HydrophobicContact CB-CE2 4.07Å; L154-F238 HydrophobicContact CD1-CE2 4.4Å; L154-F238 HydrophobicContact CD2-CE2 4.3Å; L154-F238 HydrophobicContact CG-CE2 4.47Å
155	A	98.8	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125	174.7	0	0	0	0	0	109.9	E128 V129 W235 T236 V237 F238	E128-A155 HydrophobicContact CG-CB 4.25Å; E128-A155 VanDerWaalsContact OE1-CB 3.24Å; E128-A155 WeakPolarHBondContact OE1-CB 3.24Å; V129-A155 WeakPolarHBondContact O-CA 3.33Å; A155-W235 HydrophobicContact CB-CE3 4.08Å; A155-W235 HydrophobicContact CB-CZ3 3.95Å; A155-T236 PolarHBondContact N-O 2.87Å; A155-V237 HydrophobicContact CB-CB 4.39Å; A155-V237 HydrophobicContact CB-CG1 4.27Å; A155-V237 HydrophobicContact CB-CG2 4.09Å; A155-F238 PolarHBondContact O-N 3.38Å
156	V	98.6	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.7	-178.7	-178.3	0	0	0	0	109.1	E128 V129 L131 L196 P198 F238 I242	E128-V156 CarbonylContact C-O 3.51Å; E128-V156 WeakPolarHBondContact CA-O 3.5Å; V129-V156 HydrophobicContact CB-CB 4.44Å; V129-V156 PolarHBondContact N-O 3.06Å; V129-V156 PolarHBondContact O-N 3.42Å; L131-V156 HydrophobicContact CD1-CG2 4.38Å; V156-L196 WeakPolarHBondContact CG2-O 3.29Å; V156-P198 HydrophobicContact CG1-CG 3.79Å; V156-P198 HydrophobicContact CG2-CG 4.45Å; V156-F238 HydrophobicContact CG2-CD2 3.63Å; V156-F238 HydrophobicContact CG2-CE2 4.16Å; V156-F238 HydrophobicContact CG2-CG 4.49Å; V156-I242 HydrophobicContact CG1-CD1 3.59Å; V156-I242 HydrophobicContact CG1-CG1 3.8Å
157	F	98.5	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.3	177.7	-63.2	-57.5	0	0	0	111.8	H118 I120 Y125 E128 V237 A241 I242	H118-F157 HydrophobicContact CB-CE1 3.84Å; H118-F157 HydrophobicContact CB-CZ 3.79Å; I120-F157 HydrophobicContact CD1-CE2 3.89Å; I120-F157 HydrophobicContact CD1-CZ 3.92Å; I120-F157 HydrophobicContact CG1-CE2 4Å; I120-F157 HydrophobicContact CG1-CZ 4.16Å; Y125-F157 HydrophobicContact CD1-CB 3.95Å; Y125-F157 HydrophobicContact CD1-CG 4.48Å; Y125-F157 HydrophobicContact CD2-CB 3.78Å; Y125-F157 AromaticContact CD2-CD1 3.51Å; Y125-F157 HydrophobicContact CD2-CD1 3.51Å; Y125-F157 AromaticContact CD2-CD2 3.85Å; Y125-F157 HydrophobicContact CD2-CD2 3.85Å; Y125-F157 AromaticContact CD2-CE1 3.99Å; Y125-F157 HydrophobicContact CD2-CE1 3.99Å; Y125-F157 HydrophobicContact CD2-CE2 4.3Å; Y125-F157 AromaticContact CD2-CG 3.42Å; Y125-F157 HydrophobicContact CD2-CG 3.42Å; Y125-F157 VanDerWaalsContact CD2-CG 3.42Å; Y125-F157 HydrophobicContact CD2-CZ 4.36Å; Y125-F157 HydrophobicContact CE1-CB 4.36Å; Y125-F157 HydrophobicContact CE2-CB 4.22Å; Y125-F157 HydrophobicContact CE2-CD1 4.18Å; Y125-F157 AromaticContact CE2-CD2 3.68Å; Y125-F157 HydrophobicContact CE2-CD2 3.68Å; Y125-F157 HydrophobicContact CE2-CE1 4.49Å; Y125-F157 HydrophobicContact CE2-CE2 4.03Å; Y125-F157 AromaticContact CE2-CG 3.76Å; Y125-F157 HydrophobicContact CE2-CG 3.76Å; Y125-F157 HydrophobicContact CE2-CZ 4.41Å; Y125-F157 HydrophobicContact CG-CB 3.63Å; Y125-F157 HydrophobicContact CG-CD1 4.02Å; Y125-F157 AromaticContact CG-CG 3.83Å; Y125-F157 HydrophobicContact CG-CG 3.83Å; E128-F157 HydrophobicContact CB-CD1 4.46Å; E128-F157 HydrophobicContact CG-CD1 4.26Å; E128-F157 HydrophobicContact CG-CE1 4.42Å; E128-F157 WeakPolarHBondContact OE2-CE1 3.37Å; F157-V237 HydrophobicContact CE2-CG1 3.6Å; F157-V237 HydrophobicContact CZ-CG1 3.57Å; F157-A241 HydrophobicContact CB-CB 3.75Å; F157-A241 CarbonylContact O-C 3.32Å; F157-A241 VanDerWaalsContact O-CA 3.29Å; F157-A241 WeakPolarHBondContact O-CA 3.26Å; F157-A241 WeakPolarHBondContact O-CB 3.22Å; F157-I242 PolarHBondContact O-N 3.12Å
158	L	98.3	Very high	97.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.1	169.4	-60.4	-178.6	0	0	0	109.4	Y125 A126 G127 V129 I242 I244 F252	Y125-L158 WeakPolarHBondContact CB-O 3.33Å; A126-L158 WeakPolarHBondContact CB-O 3.21Å; A126-L158 PolarHBondContact N-O 3.31Å; G127-L158 PolarHBondContact N-O 2.75Å; G127-L158 PolarHBondContact O-N 3.1Å; V129-L158 HydrophobicContact CG2-CD1 4.02Å; V129-L158 HydrophobicContact CG2-CD2 3.99Å; V129-L158 HydrophobicContact CG2-CG 4.06Å; L158-I242 CarbonylContact C-O 3.51Å; L158-I242 WeakPolarHBondContact CA-O 3.3Å; L158-I242 HydrophobicContact CD2-CB 4.09Å; L158-I242 HydrophobicContact CD2-CG2 4.34Å; L158-I244 HydrophobicContact CB-CG2 3.86Å; L158-I244 HydrophobicContact CD1-CD1 4.2Å; L158-F252 HydrophobicContact CD1-CE2 4.1Å
159	N	97.3	Very high	96.9	Very high	70 Å²	70	37 Å²	37	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.5	178.2	-175.9	69	0	0	0	110.4	Y125 T161 A241 I242 P243 I244	Y125-N159 HydrophobicContact CD1-CB 4.12Å; Y125-N159 HydrophobicContact CE1-CB 4.47Å; N159-T161 PolarHBondContact O-N 3.24Å; N159-A241 HydrophobicContact CB-CB 3.78Å; N159-I242 PolarHBondContact N-O 3.35Å; N159-P243 CarbonylContact O-C 3.52Å; N159-P243 WeakPolarHBondContact O-CA 3.24Å; N159-I244 PolarHBondContact O-N 2.76Å
160	E	97.1	Very high	96.8	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.4	-179.8	-160.5	170.2	144.3	0	0	111.2	P112 A126 I244 S246	P112-E160 HydrophobicContact CB-CB 4.02Å; P112-E160 WeakPolarHBondContact CG-OE2 3.46Å; A126-E160 HydrophobicContact CB-CB 3.85Å; E160-I244 CarbonylContact C-O 3.56Å; E160-I244 VanDerWaalsContact CA-O 3.24Å; E160-I244 WeakPolarHBondContact CA-O 3.38Å; E160-S246 WeakPolarHBondContact OE1-CA 3.39Å; E160-S246 WeakPolarHBondContact OE1-CB 3.32Å; E160-S246 PolarHBondContact OE1-OG 3.18Å
161	T	95.7	Very high	96.6	Very high	44 Å²	44	37.6 Å²	37.6	27%	0.27	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171	179.3	56.6	0	0	0	0	111.5	N159 D163 P243 I244 S245 S246	N159-T161 PolarHBondContact O-N 3.24Å; T161-D163 PolarHBondContact OG1-O 3.05Å; T161-D163 VanDerWaalsContact OG1-O 3.12Å; T161-P243 HydrophobicContact CG2-CB 3.67Å; T161-I244 PolarHBondContact N-O 3.49Å; T161-I244 PolarHBondContact OG1-O 2.92Å; T161-S245 VanDerWaalsContact O-CA 3.29Å; T161-S245 WeakPolarHBondContact O-CA 3.27Å; T161-S246 PolarHBondContact O-N 3.3Å
162	L	95.3	Very high	96.6	Very high	157 Å²	157	37.4 Å²	37.4	82%	0.822	20%	0.203	S	C	*	.	S	Bend	trans	-73.6	-46.8	174.7	-177.4	64.1	0	0	0	111.6
163	D	95.9	Very high	96.5	Very high	124 Å²	124	42.8 Å²	42.8	66%	0.663	23%	0.228	S	C	*	.	S	Bend	trans	-86.9	145.8	-172.9	-59.6	-54.7	0	0	0	112.1	T161 S245	T161-D163 PolarHBondContact OG1-O 3.05Å; T161-D163 VanDerWaalsContact OG1-O 3.12Å; D163-S245 WeakPolarHBondContact O-CB 3.14Å
164	D	96.6	Very high	96.4	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.332	23%	0.228	S	C	.	.			trans	-64.9	134	175	-69.8	-26.6	0	0	0	111.3	L166 S245 R247	D164-L166 PolarHBondContact O-N 3.14Å; D164-S245 WeakPolarHBondContact OD1-CB 3.45Å; D164-S245 PolarHBondContact OD1-OG 3.25Å; D164-R247 IonicContact OD1-CZ 3.92Å; D164-R247 IonicContact OD1-NE 3.41Å; D164-R247 PolarHBondContact OD1-NE 3.05Å; D164-R247 VanDerWaalsContact OD1-NE 3.09Å; D164-R247 IonicContact OD1-NH2 3.91Å; D164-R247 PolarHBondContact OD1-NH2 3.01Å; D164-R247 IonicContact OD2-CZ 3.77Å; D164-R247 VanDerWaalsContact OD2-CZ 3.22Å; D164-R247 IonicContact OD2-NE 3.31Å; D164-R247 PolarHBondContact OD2-NE 3.28Å; D164-R247 IonicContact OD2-NH2 3.55Å; D164-R247 PolarHBondContact OD2-NH2 3.14Å
165	N	95.2	Very high	96.4	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.059	23%	0.228	C	C	.	.			trans	-80.1	101	168.9	-177.2	-18.7	0	0	0	109.3	S167 L168 E169 H201 I242 P243 Q248	N165-S167 PolarHBondContact O-N 3.35Å; N165-S167 WeakPolarHBondContact OD1-CB 3.14Å; N165-S167 PolarHBondContact OD1-N 2.94Å; N165-S167 VanDerWaalsContact OD1-N 3.1Å; N165-L168 HydrophobicContact CB-CB 4.32Å; N165-L168 HydrophobicContact CB-CD1 4.16Å; N165-L168 HydrophobicContact CB-CG 4.2Å; N165-L168 WeakPolarHBondContact ND2-CD1 3.33Å; N165-L168 WeakPolarHBondContact ND2-CG 3.3Å; N165-L168 PolarHBondContact O-N 3.44Å; N165-L168 PolarHBondContact OD1-N 3.23Å; N165-E169 PolarHBondContact O-N 3.41Å; N165-H201 PolarHBondContact ND2-NE2 3.07Å; N165-H201 PolarHBondContact OD1-NE2 3.26Å; N165-I242 WeakPolarHBondContact ND2-CG2 3.35Å; N165-P243 VanDerWaalsContact CB-O 3.26Å; N165-P243 WeakPolarHBondContact CB-O 3.29Å; N165-P243 PolarHBondContact ND2-O 3.05Å; N165-Q248 PolarHBondContact O-NE2 2.93Å
166	L	94.2	Very high	96.3	Very high	141 Å²	141	44.7 Å²	44.7	74%	0.738	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.5	-177.5	-60.3	-178.5	0	0	0	113.3	D164 L168 E169	D164-L166 PolarHBondContact O-N 3.14Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-E169 PolarHBondContact O-N 3Å
167	S	92.6	Very high	96.3	Very high	43 Å²	43	50.6 Å²	50.6	30%	0.301	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.3	176.6	-57	0	0	0	0	111.8	N165 F191	N165-S167 PolarHBondContact O-N 3.35Å; N165-S167 WeakPolarHBondContact OD1-CB 3.14Å; N165-S167 PolarHBondContact OD1-N 2.94Å; N165-S167 VanDerWaalsContact OD1-N 3.1Å; S167-F191 WeakPolarHBondContact O-CE2 3.24Å
168	L	94.8	Very high	96.3	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.1	177.6	-61.7	-177.3	0	0	0	113.5	N165 L166 P170 L171 V172 L196 I242 I244	N165-L168 HydrophobicContact CB-CB 4.32Å; N165-L168 HydrophobicContact CB-CD1 4.16Å; N165-L168 HydrophobicContact CB-CG 4.2Å; N165-L168 WeakPolarHBondContact ND2-CD1 3.33Å; N165-L168 WeakPolarHBondContact ND2-CG 3.3Å; N165-L168 PolarHBondContact O-N 3.44Å; N165-L168 PolarHBondContact OD1-N 3.23Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L168-P170 VanDerWaalsContact C-CD 3.47Å; L168-L171 WeakPolarHBondContact O-CA 3.45Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.42Å; L168-V172 HydrophobicContact CB-CG2 4.33Å; L168-V172 WeakPolarHBondContact O-CG2 3.4Å; L168-V172 PolarHBondContact O-N 3.23Å; L168-L196 HydrophobicContact CD2-CD2 3.53Å; L168-I242 HydrophobicContact CD1-CG2 3.96Å; L168-I244 HydrophobicContact CD1-CB 4.5Å; L168-I244 HydrophobicContact CD1-CD1 4.49Å
169	E	95	Very high	96.2	Very high	32 Å²	32	54 Å²	54	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-54.2	-42.4	-173	-173	61.3	-161.1	0	0	114.1	N165 L166 L171 V172 Q173 R247 Q248	N165-E169 PolarHBondContact O-N 3.41Å; L166-E169 PolarHBondContact O-N 3Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.26Å; E169-V172 PolarHBondContact O-N 3Å; E169-Q173 HydrophobicContact CG-CG 4.32Å; E169-Q173 WeakPolarHBondContact O-CB 3.4Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.27Å; E169-Q173 PolarHBondContact O-N 2.92Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.36Å; E169-Q173 PolarHBondContact OE1-NE2 2.71Å; E169-R247 IonicContact OE1-NH1 3.22Å; E169-R247 IonicContact OE1-NH2 2.75Å; E169-R247 PolarHBondContact OE1-NH2 3.09Å; E169-R247 IonicContact OE2-CZ 2.69Å; E169-R247 IonicContact OE2-NH1 3.85Å; E169-R247 IonicContact OE2-NH2 3.64Å; E169-R247 PolarHBondContact OE2-NH2 3.16Å; E169-Q248 PolarHBondContact OE2-NE2 3.44Å
170	P	94.7	Very high	96.2	Very high	39 Å²	39	52.5 Å²	52.5	25%	0.253	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-39.2	175.3	-24.4	35.3	0	0	0	113.2	L168 T174 P188 F191	L168-P170 VanDerWaalsContact C-CD 3.47Å; P170-T174 WeakPolarHBondContact O-CB 3.3Å; P170-T174 PolarHBondContact O-N 3.13Å; P170-T174 VanDerWaalsContact O-N 3.15Å; P170-T174 PolarHBondContact O-OG1 3.05Å; P170-P188 HydrophobicContact CB-CG 4.3Å; P170-F191 HydrophobicContact CB-CB 4.17Å; P170-F191 HydrophobicContact CB-CD2 4Å; P170-F191 HydrophobicContact CB-CG 4.4Å; P170-F191 HydrophobicContact CG-CD2 4.29Å
171	L	95.6	Very high	96.2	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-70.4	-45	177.1	176.7	61.5	0	0	0	111	V60 W67 I69 L168 E169 Q173 T174 I175 F191 L196	V60-L171 HydrophobicContact CG2-CD1 3.75Å; W67-L171 HydrophobicContact CH2-CD2 4.08Å; W67-L171 HydrophobicContact CZ3-CD2 4.43Å; I69-L171 HydrophobicContact CD1-CD1 3.94Å; I69-L171 HydrophobicContact CD1-CD2 4.32Å; I69-L171 HydrophobicContact CG1-CD1 4.42Å; L168-L171 WeakPolarHBondContact O-CA 3.45Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.42Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.26Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.37Å; L171-T174 WeakPolarHBondContact O-CB 3.33Å; L171-T174 PolarHBondContact O-N 2.86Å; L171-T174 VanDerWaalsContact O-N 3.08Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CD2-CD1 4.44Å; L171-I175 HydrophobicContact CG-CD1 3.77Å; L171-I175 HydrophobicContact CG-CG1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.33Å; L171-F191 HydrophobicContact CB-CD2 4.27Å; L171-F191 HydrophobicContact CB-CE1 3.95Å; L171-F191 HydrophobicContact CB-CE2 3.7Å; L171-F191 HydrophobicContact CB-CZ 3.54Å; L171-F191 HydrophobicContact CD1-CE1 4.42Å; L171-F191 HydrophobicContact CD2-CE1 4.09Å; L171-F191 HydrophobicContact CD2-CZ 3.73Å; L171-F191 HydrophobicContact CG-CE1 4.38Å; L171-F191 HydrophobicContact CG-CZ 4.16Å; L171-L196 HydrophobicContact CD2-CD1 4.32Å; L171-L196 HydrophobicContact CD2-CD2 4.22Å
172	V	97.2	Very high	96.3	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-45.5	177.4	174.3	0	0	0	0	111.1	L168 E169 T174 I175 G176 Q248 V251 F252	L168-V172 HydrophobicContact CB-CG2 4.33Å; L168-V172 WeakPolarHBondContact O-CG2 3.4Å; L168-V172 PolarHBondContact O-N 3.23Å; E169-V172 PolarHBondContact O-N 3Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.27Å; V172-I175 PolarHBondContact O-N 3.28Å; V172-G176 PolarHBondContact O-N 3.27Å; V172-Q248 HydrophobicContact CG1-CB 4.22Å; V172-Q248 HydrophobicContact CG1-CG 4.19Å; V172-Q248 HydrophobicContact CG2-CB 3.98Å; V172-Q248 HydrophobicContact CG2-CG 4.09Å; V172-V251 HydrophobicContact CG1-CB 4.01Å; V172-V251 HydrophobicContact CG1-CG1 4.28Å; V172-V251 HydrophobicContact CG1-CG2 3.71Å; V172-F252 HydrophobicContact CG2-CE1 4.26Å
173	Q	97	Very high	96.4	Very high	113 Å²	113	51.3 Å²	51.3	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-35.6	176.3	-71.7	177.1	0.6	0	0	112.6	E169 L171	E169-Q173 HydrophobicContact CG-CG 4.32Å; E169-Q173 WeakPolarHBondContact O-CB 3.4Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.27Å; E169-Q173 PolarHBondContact O-N 2.92Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.36Å; E169-Q173 PolarHBondContact OE1-NE2 2.71Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.37Å
174	T	97	Very high	96.5	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-68.8	-44.9	176.5	-56.2	0	0	0	0	110.7	V60 P170 L171 V172 G176 K177 E185 P188	V60-T174 HydrophobicContact CB-CG2 4.17Å; V60-T174 HydrophobicContact CG2-CG2 3.59Å; P170-T174 WeakPolarHBondContact O-CB 3.3Å; P170-T174 PolarHBondContact O-N 3.13Å; P170-T174 VanDerWaalsContact O-N 3.15Å; P170-T174 PolarHBondContact O-OG1 3.05Å; L171-T174 WeakPolarHBondContact O-CB 3.33Å; L171-T174 PolarHBondContact O-N 2.86Å; L171-T174 VanDerWaalsContact O-N 3.08Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.27Å; T174-G176 VanDerWaalsContact C-N 3.28Å; T174-G176 PolarHBondContact O-N 2.94Å; T174-K177 PolarHBondContact O-N 3.04Å; T174-K177 VanDerWaalsContact O-N 3.11Å; T174-E185 HydrophobicContact CG2-CB 3.87Å; T174-E185 HydrophobicContact CG2-CG 3.62Å; T174-P188 WeakPolarHBondContact OG1-CD 3.27Å
175	I	98	Very high	96.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-38.9	176	-67.8	163.5	0	0	0	111.1	V60 W67 L171 V172 K177 I178 V251 F252 L255	V60-I175 HydrophobicContact CG1-CG1 4.17Å; W67-I175 HydrophobicContact CB-CG1 4.34Å; W67-I175 HydrophobicContact CD2-CD1 3.75Å; W67-I175 HydrophobicContact CD2-CG1 4.3Å; W67-I175 HydrophobicContact CE3-CD1 4.38Å; W67-I175 HydrophobicContact CG-CD1 3.88Å; W67-I175 HydrophobicContact CG-CG1 4.08Å; W67-I175 HydrophobicContact CG-CG2 4.45Å; W67-I175 HydrophobicContact CZ2-CD1 4.12Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CD2-CD1 4.44Å; L171-I175 HydrophobicContact CG-CD1 3.77Å; L171-I175 HydrophobicContact CG-CG1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.33Å; V172-I175 PolarHBondContact O-N 3.28Å; I175-K177 PolarHBondContact O-N 3.12Å; I175-I178 WeakPolarHBondContact O-CG1 3.13Å; I175-I178 PolarHBondContact O-N 3.29Å; I175-I178 VanDerWaalsContact O-N 3.14Å; I175-V251 HydrophobicContact CG2-CG1 4.25Å; I175-F252 HydrophobicContact CD1-CD1 4.08Å; I175-F252 HydrophobicContact CD1-CE1 3.62Å; I175-F252 HydrophobicContact CD1-CZ 4.28Å; I175-F252 HydrophobicContact CG2-CD1 4.05Å; I175-L255 HydrophobicContact CG2-CD1 4.02Å; I175-L255 HydrophobicContact CG2-CD2 4.09Å; I175-L255 HydrophobicContact CG2-CG 4.36Å
176	G	97.8	Very high	96.5	Very high	40 Å²	40	56.5 Å²	56.5	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.1	177.6	0	0	0	0	0	115.2	V172 T174	V172-G176 PolarHBondContact O-N 3.27Å; T174-G176 VanDerWaalsContact C-N 3.28Å; T174-G176 PolarHBondContact O-N 2.94Å
177	K	98.1	Very high	96.4	Very high	124 Å²	124	50.1 Å²	50.1	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.7	178.5	-60.4	-179.8	-166.3	176.3	0	114.4	T174 I175 E185	T174-K177 PolarHBondContact O-N 3.04Å; T174-K177 VanDerWaalsContact O-N 3.11Å; I175-K177 PolarHBondContact O-N 3.12Å; K177-E185 HydrophobicContact CB-CB 4.48Å; K177-E185 HydrophobicContact CB-CG 4.32Å; K177-E185 HydrophobicContact CD-CG 3.91Å; K177-E185 WeakPolarHBondContact CD-OE1 3.21Å; K177-E185 IonicContact NZ-OE1 3.75Å; K177-E185 PolarHBondContact NZ-OE1 3.08Å
178	I	98.1	Very high	96.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.252	C	S	.	.			trans	-107.5	48.9	-177.3	53.7	164.4	0	0	0	111.3	V60 N62 W67 I175 Y180 E183 E185 L255	V60-I178 HydrophobicContact CB-CD1 3.98Å; V60-I178 HydrophobicContact CG1-CD1 3.51Å; N62-I178 HydrophobicContact CB-CB 4.22Å; N62-I178 HydrophobicContact CB-CD1 4.19Å; N62-I178 HydrophobicContact CB-CG1 4.41Å; N62-I178 WeakPolarHBondContact CB-O 3.44Å; N62-I178 PolarHBondContact ND2-O 3.21Å; N62-I178 VanDerWaalsContact ND2-O 3.15Å; W67-I178 HydrophobicContact CB-CD1 4.19Å; I175-I178 WeakPolarHBondContact O-CG1 3.13Å; I175-I178 PolarHBondContact O-N 3.29Å; I175-I178 VanDerWaalsContact O-N 3.14Å; I178-Y180 PolarHBondContact O-N 3.42Å; I178-E183 HydrophobicContact CB-CB 4.02Å; I178-E183 HydrophobicContact CG2-CB 4.16Å; I178-E185 HydrophobicContact CG2-CB 3.66Å; I178-L255 HydrophobicContact CG1-CD2 4.35Å; I178-L255 VanDerWaalsContact O-CD2 3.24Å; I178-L255 WeakPolarHBondContact O-CD2 3.12Å
179	K	97.5	Very high	95.6	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	28%	0.28	S	S	.	.			trans	-59.1	-34.4	-169.4	-171.8	170.4	177.1	179.4	0	113.2	N62 E183 L255 Y256	N62-K179 PolarHBondContact ND2-O 2.97Å; K179-E183 PolarHBondContact N-OE2 2.88Å; K179-L255 CarbonylContact O-C 3.57Å; K179-L255 WeakPolarHBondContact O-CA 3.38Å; K179-Y256 VanDerWaalsContact CE-CE2 3.41Å; K179-Y256 HydrophobicContact CG-CD2 4.04Å; K179-Y256 HydrophobicContact CG-CE2 4.41Å; K179-Y256 PolarHBondContact O-N 3.26Å
180	Y	97.5	Very high	94.8	Very high	38 Å²	38	64.8 Å²	64.8	15%	0.149	31%	0.314	C	S	.	.	S	Bend	trans	-112	152.8	-172.7	-50.9	-64.8	0	0	0	111.7	N62 I178 N182 E183 Y256 M260 L263	N62-Y180 PolarHBondContact ND2-O 3.3Å; I178-Y180 PolarHBondContact O-N 3.42Å; Y180-N182 PolarHBondContact O-N 3.37Å; Y180-E183 WeakPolarHBondContact CD2-OE1 3.36Å; Y180-E183 PolarHBondContact N-OE2 2.73Å; Y180-E183 VanDerWaalsContact O-CB 3.27Å; Y180-E183 WeakPolarHBondContact O-CB 3.33Å; Y180-E183 WeakPolarHBondContact O-CG 3.27Å; Y180-E183 PolarHBondContact O-N 3.01Å; Y180-E183 VanDerWaalsContact O-N 3.09Å; Y180-Y256 HydrophobicContact CD1-CD2 4.08Å; Y180-Y256 HydrophobicContact CD1-CG 4.2Å; Y180-Y256 AromaticContact CE1-CD2 3.89Å; Y180-Y256 HydrophobicContact CE1-CD2 3.89Å; Y180-Y256 HydrophobicContact CE1-CE2 4.33Å; Y180-Y256 HydrophobicContact CE1-CG 4.3Å; Y180-M260 HydrophobicContact CD1-CB 4.38Å; Y180-M260 HydrophobicContact CD2-CB 3.66Å; Y180-M260 HydrophobicContact CD2-CG 3.8Å; Y180-M260 HydrophobicContact CD2-SD 4.08Å; Y180-M260 HydrophobicContact CE2-CB 4.14Å; Y180-M260 HydrophobicContact CE2-CE 4.25Å; Y180-M260 HydrophobicContact CE2-CG 3.73Å; Y180-M260 HydrophobicContact CE2-SD 3.82Å; Y180-M260 HydrophobicContact CG-CB 3.78Å; Y180-M260 HydrophobicContact CG-CG 4.23Å; Y180-L263 HydrophobicContact CD1-CD1 3.7Å; Y180-L263 HydrophobicContact CD1-CD2 4.17Å; Y180-L263 HydrophobicContact CD1-CG 4.3Å; Y180-L263 HydrophobicContact CE1-CD1 3.21Å; Y180-L263 HydrophobicContact CE1-CD2 4.16Å; Y180-L263 HydrophobicContact CE1-CG 4.2Å
181	K	96.6	Very high	94.4	Very high	45 Å²	45	63.1 Å²	63.1	20%	0.196	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	140.7	-179.6	175.8	-178.4	179.8	177.3	0	111.2	N62 E183 A257 N258 P259	N62-K181 CarbonylContact O-C 3.48Å; N62-K181 WeakPolarHBondContact O-CA 3.25Å; K181-E183 PolarHBondContact O-N 2.95Å; K181-A257 VanDerWaalsContact CD-O 3.23Å; K181-A257 WeakPolarHBondContact CD-O 3.37Å; K181-N258 VanDerWaalsContact CB-C 3.47Å; K181-N258 PolarHBondContact N-O 2.96Å; K181-P259 HydrophobicContact CB-CG 4.32Å; K181-P259 HydrophobicContact CD-CG 4.45Å
182	N	96.5	Very high	94.2	Very high	108 Å²	108	66 Å²	66	58%	0.578	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	-3.1	-175.3	-48.5	-39.5	0	0	0	114.9	N62 Y180	N62-N182 PolarHBondContact O-N 2.89Å; Y180-N182 PolarHBondContact O-N 3.37Å
183	E	97.9	Very high	93.9	Very high	64 Å²	64	65.9 Å²	65.9	30%	0.299	32%	0.318	S	S	.	.			trans	-67.7	143.2	168.6	-66.4	-174.3	147.4	0	0	110.3	C61 N62 I178 K179 Y180 K181	C61-E183 WeakPolarHBondContact CA-O 3.44Å; N62-E183 PolarHBondContact N-O 3.15Å; I178-E183 HydrophobicContact CB-CB 4.02Å; I178-E183 HydrophobicContact CG2-CB 4.16Å; K179-E183 PolarHBondContact N-OE2 2.88Å; Y180-E183 WeakPolarHBondContact CD2-OE1 3.36Å; Y180-E183 PolarHBondContact N-OE2 2.73Å; Y180-E183 VanDerWaalsContact O-CB 3.27Å; Y180-E183 WeakPolarHBondContact O-CB 3.33Å; Y180-E183 WeakPolarHBondContact O-CG 3.27Å; Y180-E183 PolarHBondContact O-N 3.01Å; Y180-E183 VanDerWaalsContact O-N 3.09Å; K181-E183 PolarHBondContact O-N 2.95Å
184	T	97.7	Very high	93.8	Very high	61 Å²	61	62.2 Å²	62.2	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.2	-176.7	-57.2	0	0	0	0	108.9	E59 V60 C61	E59-T184 HydrophobicContact CB-CG2 3.73Å; E59-T184 VanDerWaalsContact CD-CG2 3.48Å; E59-T184 HydrophobicContact CG-CG2 3.88Å; E59-T184 WeakPolarHBondContact OE2-CG2 3.25Å; V60-T184 CarbonylContact O-C 3.53Å; V60-T184 VanDerWaalsContact O-CA 3.29Å; V60-T184 WeakPolarHBondContact O-CA 3.31Å; C61-T184 HydrophobicContact CB-CG2 4.45Å; C61-T184 PolarHBondContact SG-OG1 2.78Å; C61-T184 VanDerWaalsContact SG-OG1 3.36Å
185	E	97.4	Very high	93.6	Very high	64 Å²	64	62.7 Å²	62.7	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.5	177.1	178.4	72.7	170.7	0	0	109.7	E59 V60 T174 K177 I178	E59-E185 CarbonylContact C-O 3.56Å; E59-E185 WeakPolarHBondContact CA-O 3.13Å; V60-E185 PolarHBondContact N-O 2.9Å; V60-E185 PolarHBondContact O-N 2.87Å; T174-E185 HydrophobicContact CG2-CB 3.87Å; T174-E185 HydrophobicContact CG2-CG 3.62Å; K177-E185 HydrophobicContact CB-CB 4.48Å; K177-E185 HydrophobicContact CB-CG 4.32Å; K177-E185 HydrophobicContact CD-CG 3.91Å; K177-E185 WeakPolarHBondContact CD-OE1 3.21Å; K177-E185 IonicContact NZ-OE1 3.75Å; K177-E185 PolarHBondContact NZ-OE1 3.08Å; I178-E185 HydrophobicContact CG2-CB 3.66Å
186	R	95.1	Very high	93.5	Very high	181 Å²	181	62.8 Å²	62.8	68%	0.683	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.6	178.4	-169	-179.9	177.3	161.8	0.4	111.2	V58	V58-R186 WeakPolarHBondContact O-CA 3.35Å; V58-R186 VanDerWaalsContact O-CG 3.29Å; V58-R186 WeakPolarHBondContact O-CG 3.49Å
187	I	92.1	Very high	93.4	Very high	7 Å²	7	61 Å²	61	4%	0.036	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-69.2	132.7	172.4	-65.9	173.8	0	0	0	109.1	C57 V58 V60 I69 Q189 F191	C57-I187 HydrophobicContact CB-CD1 4.13Å; V58-I187 PolarHBondContact O-N 2.81Å; V60-I187 HydrophobicContact CG2-CD1 3.78Å; V60-I187 HydrophobicContact CG2-CG1 3.43Å; V60-I187 VanDerWaalsContact CG2-CG1 3.43Å; I69-I187 HydrophobicContact CB-CD1 4.31Å; I69-I187 HydrophobicContact CD1-CD1 4.02Å; I69-I187 HydrophobicContact CG1-CD1 3.95Å; I69-I187 HydrophobicContact CG2-CD1 3.57Å; I187-Q189 PolarHBondContact O-N 2.81Å; I187-F191 HydrophobicContact CG2-CB 3.72Å; I187-F191 HydrophobicContact CG2-CD1 3.68Å; I187-F191 HydrophobicContact CG2-CG 4.1Å
188	P	89.6	Confident	93.2	Very high	56 Å²	56	55.1 Å²	55.1	36%	0.364	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-57.9	132.6	173.7	-24	33.6	0	0	0	110.9	P170 T174 K190 F191	P170-P188 HydrophobicContact CB-CG 4.3Å; T174-P188 WeakPolarHBondContact OG1-CD 3.27Å; P188-K190 PolarHBondContact O-N 2.84Å; P188-F191 WeakPolarHBondContact O-CB 3.42Å; P188-F191 PolarHBondContact O-N 2.87Å
189	Q	80.5	Confident	92.8	Very high	131 Å²	131	56.5 Å²	56.5	61%	0.612	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.3	-175.8	-164.6	-177.6	4.4	0	0	114.2	E55 I187	E55-Q189 HydrophobicContact CG-CG 4.44Å; E55-Q189 PolarHBondContact OE1-NE2 3.33Å; I187-Q189 PolarHBondContact O-N 2.81Å
190	K	78	Confident	92.5	Very high	202 Å²	202	57 Å²	57	88%	0.878	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.2	178.4	-63.4	-175.2	178.8	-177.5	0	114.2	P188 D192	P188-K190 PolarHBondContact O-N 2.84Å; K190-D192 PolarHBondContact O-N 3.44Å
191	F	88.1	Confident	91.9	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.013	26%	0.264	C	S	.	.			trans	-80.3	106.1	179.9	-179	-110.3	0	0	0	109.8	S167 P170 L171 I187 P188 V193 C195 L196	S167-F191 WeakPolarHBondContact O-CE2 3.24Å; P170-F191 HydrophobicContact CB-CB 4.17Å; P170-F191 HydrophobicContact CB-CD2 4Å; P170-F191 HydrophobicContact CB-CG 4.4Å; P170-F191 HydrophobicContact CG-CD2 4.29Å; L171-F191 HydrophobicContact CB-CD2 4.27Å; L171-F191 HydrophobicContact CB-CE1 3.95Å; L171-F191 HydrophobicContact CB-CE2 3.7Å; L171-F191 HydrophobicContact CB-CZ 3.54Å; L171-F191 HydrophobicContact CD1-CE1 4.42Å; L171-F191 HydrophobicContact CD2-CE1 4.09Å; L171-F191 HydrophobicContact CD2-CZ 3.73Å; L171-F191 HydrophobicContact CG-CE1 4.38Å; L171-F191 HydrophobicContact CG-CZ 4.16Å; I187-F191 HydrophobicContact CG2-CB 3.72Å; I187-F191 HydrophobicContact CG2-CD1 3.68Å; I187-F191 HydrophobicContact CG2-CG 4.1Å; P188-F191 WeakPolarHBondContact O-CB 3.42Å; P188-F191 PolarHBondContact O-N 2.87Å; F191-V193 HydrophobicContact CD1-CG1 3.96Å; F191-V193 HydrophobicContact CE1-CG1 3.8Å; F191-V193 PolarHBondContact O-N 3.24Å; F191-C195 VanDerWaalsContact CE2-SG 3.5Å; F191-L196 HydrophobicContact CZ-CD1 4.43Å; F191-L196 HydrophobicContact CZ-CG 4.4Å
192	D	90.3	Very high	91	Very high	65 Å²	65	58.4 Å²	58.4	35%	0.348	28%	0.281	S	S	.	.			trans	-81.7	110.1	172.4	-175	-5.2	0	0	0	109.7	K190 K194 C195	K190-D192 PolarHBondContact O-N 3.44Å; D192-K194 PolarHBondContact O-N 2.95Å; D192-K194 VanDerWaalsContact O-N 3.12Å; D192-K194 VanDerWaalsContact OD1-CB 3.3Å; D192-K194 WeakPolarHBondContact OD1-CB 3.41Å; D192-K194 VanDerWaalsContact OD1-CE 3.25Å; D192-K194 WeakPolarHBondContact OD1-CE 3.35Å; D192-K194 WeakPolarHBondContact OD1-CG 3.08Å; D192-K194 PolarHBondContact OD1-N 3.33Å; D192-K194 WeakPolarHBondContact OD2-CE 3.27Å; D192-K194 IonicContact OD2-NZ 2.74Å; D192-C195 WeakPolarHBondContact O-CB 3.49Å; D192-C195 PolarHBondContact O-N 3.25Å; D192-C195 PolarHBondContact O-SG 3.44Å
193	V	91.9	Very high	90.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.5	-19.6	179.3	-63.9	0	0	0	0	113.8	C57 I104 F191 C195 L196	C57-V193 HydrophobicContact CB-CG1 3.42Å; C57-V193 VanDerWaalsContact CB-CG1 3.42Å; C57-V193 WeakPolarHBondContact SG-CG1 3.38Å; I104-V193 HydrophobicContact CD1-CB 4.25Å; F191-V193 HydrophobicContact CD1-CG1 3.96Å; F191-V193 HydrophobicContact CE1-CG1 3.8Å; F191-V193 PolarHBondContact O-N 3.24Å; V193-C195 PolarHBondContact O-N 3.02Å; V193-C195 VanDerWaalsContact O-N 3.16Å; V193-L196 WeakPolarHBondContact O-CB 3.47Å; V193-L196 PolarHBondContact O-N 2.82Å
194	K	93.4	Very high	89.2	Confident	37 Å²	37	56.1 Å²	56.1	16%	0.161	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.8	-22.8	173.9	-69.2	179	-67.4	-138.9	0	111.9	Y52 D192 L196 I197 F200	Y52-K194 HydrophobicContact CD2-CG 4.31Å; Y52-K194 PolarHBondContact O-NZ 2.84Å; D192-K194 PolarHBondContact O-N 2.95Å; D192-K194 VanDerWaalsContact O-N 3.12Å; D192-K194 VanDerWaalsContact OD1-CB 3.3Å; D192-K194 WeakPolarHBondContact OD1-CB 3.41Å; D192-K194 VanDerWaalsContact OD1-CE 3.25Å; D192-K194 WeakPolarHBondContact OD1-CE 3.35Å; D192-K194 WeakPolarHBondContact OD1-CG 3.08Å; D192-K194 PolarHBondContact OD1-N 3.33Å; D192-K194 WeakPolarHBondContact OD2-CE 3.27Å; D192-K194 IonicContact OD2-NZ 2.74Å; K194-L196 PolarHBondContact O-N 3.4Å; K194-I197 WeakPolarHBondContact O-CB 3.31Å; K194-I197 PolarHBondContact O-N 2.92Å; K194-F200 HydrophobicContact CB-CB 3.88Å; K194-F200 HydrophobicContact CB-CD2 4.01Å; K194-F200 HydrophobicContact CB-CG 3.9Å; K194-F200 HydrophobicContact CD-CD1 4.46Å; K194-F200 HydrophobicContact CD-CE1 4.46Å; K194-F200 HydrophobicContact CG-CD2 4.46Å; K194-F200 WeakPolarHBondContact O-CB 3.41Å
195	C	93.5	Very high	88.4	Confident	13 Å²	13	56 Å²	56	9%	0.088	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.3	-13.8	174.1	77.4	0	0	0	0	114	F191 D192 V193 I197 I242	F191-C195 VanDerWaalsContact CE2-SG 3.5Å; D192-C195 WeakPolarHBondContact O-CB 3.49Å; D192-C195 PolarHBondContact O-N 3.25Å; D192-C195 PolarHBondContact O-SG 3.44Å; V193-C195 PolarHBondContact O-N 3.02Å; V193-C195 VanDerWaalsContact O-N 3.16Å; C195-I197 VanDerWaalsContact C-N 3.28Å; C195-I242 WeakPolarHBondContact O-CD1 3.39Å
196	L	95.6	Very high	87.5	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.016	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-82.3	-0.5	171.6	-62.5	171.3	0	0	0	113.4	I69 I104 V156 L168 L171 F191 V193 K194 I242	I69-L196 HydrophobicContact CD1-CD1 4.4Å; I104-L196 HydrophobicContact CD1-CD1 4.14Å; I104-L196 HydrophobicContact CG2-CD1 4.09Å; V156-L196 WeakPolarHBondContact CG2-O 3.29Å; L168-L196 HydrophobicContact CD2-CD2 3.53Å; L171-L196 HydrophobicContact CD2-CD1 4.32Å; L171-L196 HydrophobicContact CD2-CD2 4.22Å; F191-L196 HydrophobicContact CZ-CD1 4.43Å; F191-L196 HydrophobicContact CZ-CG 4.4Å; V193-L196 WeakPolarHBondContact O-CB 3.47Å; V193-L196 PolarHBondContact O-N 2.82Å; K194-L196 PolarHBondContact O-N 3.4Å; L196-I242 VanDerWaalsContact O-CD1 3.31Å; L196-I242 WeakPolarHBondContact O-CD1 3.28Å
197	I	95.8	Very high	87	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.289	C	S	.	.	S	Bend	trans	-110.5	126.1	175.7	-59.7	165.5	0	0	0	107.3	F50 Y52 L131 K194 C195 D199 F200 H201 F238	F50-I197 HydrophobicContact CD1-CD1 3.84Å; F50-I197 HydrophobicContact CE1-CD1 3.64Å; F50-I197 HydrophobicContact CE2-CD1 4.5Å; F50-I197 HydrophobicContact CE2-CG2 4.45Å; F50-I197 HydrophobicContact CG-CD1 4.35Å; F50-I197 HydrophobicContact CZ-CD1 4Å; F50-I197 HydrophobicContact CZ-CG2 4.14Å; Y52-I197 HydrophobicContact CD2-CD1 4.33Å; Y52-I197 HydrophobicContact CE2-CD1 4.05Å; L131-I197 HydrophobicContact CD2-CD1 4.05Å; L131-I197 HydrophobicContact CD2-CG1 3.94Å; K194-I197 WeakPolarHBondContact O-CB 3.31Å; K194-I197 PolarHBondContact O-N 2.92Å; C195-I197 VanDerWaalsContact C-N 3.28Å; I197-D199 HydrophobicContact CG2-CB 4.41Å; I197-D199 PolarHBondContact O-N 3.01Å; I197-D199 VanDerWaalsContact O-N 3.08Å; I197-F200 HydrophobicContact CB-CD2 4.03Å; I197-F200 HydrophobicContact CD1-CD2 4.39Å; I197-F200 HydrophobicContact CG2-CD2 4.02Å; I197-F200 HydrophobicContact CG2-CE2 4.39Å; I197-F200 PolarHBondContact O-N 2.84Å; I197-H201 PolarHBondContact O-N 3.42Å; I197-H201 VanDerWaalsContact O-N 3.09Å; I197-F238 HydrophobicContact CG2-CE2 4.41Å; I197-F238 HydrophobicContact CG2-CZ 4.11Å
198	P	94.1	Very high	86.6	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.013	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-53.5	-36.7	-172	-30.4	36.6	0	0	0	114.8	V156 F200 H201 K214 F238 S240 I242	V156-P198 HydrophobicContact CG1-CG 3.79Å; V156-P198 HydrophobicContact CG2-CG 4.45Å; P198-F200 VanDerWaalsContact C-N 3.32Å; P198-F200 PolarHBondContact O-N 2.98Å; P198-H201 WeakPolarHBondContact O-CB 3.38Å; P198-H201 PolarHBondContact O-N 3Å; P198-K214 HydrophobicContact CB-CB 4.31Å; P198-K214 HydrophobicContact CB-CG 4.4Å; P198-K214 WeakPolarHBondContact O-CD 3.24Å; P198-K214 VanDerWaalsContact O-CE 3.3Å; P198-K214 WeakPolarHBondContact O-CE 3.3Å; P198-F238 HydrophobicContact CG-CB 3.94Å; P198-F238 HydrophobicContact CG-CD1 4.39Å; P198-F238 HydrophobicContact CG-CG 4.05Å; P198-S240 WeakPolarHBondContact CG-O 3.47Å; P198-I242 HydrophobicContact CG-CG1 4.41Å
199	D	90.7	Very high	86.3	Confident	29 Å²	29	63.1 Å²	63.1	16%	0.155	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60.7	-35.7	179.1	-177	50.8	0	0	0	114	I197 R215	I197-D199 HydrophobicContact CG2-CB 4.41Å; I197-D199 PolarHBondContact O-N 3.01Å; I197-D199 VanDerWaalsContact O-N 3.08Å; D199-R215 HydrophobicContact CB-CG 4.16Å; D199-R215 VanDerWaalsContact CG-NE 3.29Å; D199-R215 WeakPolarHBondContact OD1-CG 3.45Å; D199-R215 IonicContact OD1-CZ 3.21Å; D199-R215 VanDerWaalsContact OD1-CZ 3.27Å; D199-R215 IonicContact OD1-NE 3.9Å; D199-R215 PolarHBondContact OD1-NE 2.89Å; D199-R215 IonicContact OD1-NH2 2.74Å; D199-R215 PolarHBondContact OD1-NH2 2.93Å; D199-R215 IonicContact OD2-CZ 2.67Å; D199-R215 IonicContact OD2-NE 3.51Å; D199-R215 PolarHBondContact OD2-NE 3.39Å; D199-R215 IonicContact OD2-NH2 3.55Å; D199-R215 PolarHBondContact OD2-NH2 3.21Å
200	F	90.1	Very high	86.5	Confident	86 Å²	86	59.6 Å²	59.6	38%	0.377	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-98.3	-4.3	177.9	-56.2	-82.5	0	0	0	112.8	F50 K194 I197 P198 N202	F50-F200 AromaticContact CD2-CE2 3.39Å; F50-F200 HydrophobicContact CD2-CE2 3.39Å; F50-F200 AromaticContact CD2-CZ 3.72Å; F50-F200 HydrophobicContact CD2-CZ 3.72Å; F50-F200 AromaticContact CE2-CE2 3.66Å; F50-F200 HydrophobicContact CE2-CE2 3.66Å; F50-F200 HydrophobicContact CE2-CZ 4.29Å; F50-F200 HydrophobicContact CG-CE2 4.14Å; K194-F200 HydrophobicContact CB-CB 3.88Å; K194-F200 HydrophobicContact CB-CD2 4.01Å; K194-F200 HydrophobicContact CB-CG 3.9Å; K194-F200 HydrophobicContact CD-CD1 4.46Å; K194-F200 HydrophobicContact CD-CE1 4.46Å; K194-F200 HydrophobicContact CG-CD2 4.46Å; K194-F200 WeakPolarHBondContact O-CB 3.41Å; I197-F200 HydrophobicContact CB-CD2 4.03Å; I197-F200 HydrophobicContact CD1-CD2 4.39Å; I197-F200 HydrophobicContact CG2-CD2 4.02Å; I197-F200 HydrophobicContact CG2-CE2 4.39Å; I197-F200 PolarHBondContact O-N 2.84Å; P198-F200 VanDerWaalsContact C-N 3.32Å; P198-F200 PolarHBondContact O-N 2.98Å; F200-N202 PolarHBondContact O-N 2.87Å
201	H	84.4	Confident	86.8	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	29%	0.289	C	S	.	.			trans	-68.7	119.6	174.5	-179.7	-90.1	0	0	0	108.9	N165 I197 P198 K214 I242	N165-H201 PolarHBondContact ND2-NE2 3.07Å; N165-H201 PolarHBondContact OD1-NE2 3.26Å; I197-H201 PolarHBondContact O-N 3.42Å; I197-H201 VanDerWaalsContact O-N 3.09Å; P198-H201 WeakPolarHBondContact O-CB 3.38Å; P198-H201 PolarHBondContact O-N 3Å; H201-K214 PolarHBondContact O-NZ 3.19Å; H201-I242 HydrophobicContact CB-CD1 4.46Å; H201-I242 HydrophobicContact CB-CG1 4.35Å
202	N	78.4	Confident	86.7	Confident	104 Å²	104	55.4 Å²	55.4	56%	0.556	31%	0.307	S	S	*	.			trans	-102	112.9	177.8	-172	-2.2	0	0	0	109.7	F200 G204	F200-N202 PolarHBondContact O-N 2.87Å; N202-G204 WeakPolarHBondContact OD1-CA 3.37Å; N202-G204 PolarHBondContact OD1-N 2.87Å
203	D	78.1	Confident	86.7	Confident	69 Å²	69	55.7 Å²	55.7	37%	0.369	31%	0.306	S	S	.	.	S	Bend	trans	-106.5	7.1	174.3	69.8	-32.2	0	0	0	112	T205 Y210 K214	D203-T205 VanDerWaalsContact C-N 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.3Å; D203-T205 PolarHBondContact OD1-N 2.92Å; D203-T205 PolarHBondContact OD1-OG1 2.93Å; D203-T205 WeakPolarHBondContact OD2-CB 3.5Å; D203-T205 PolarHBondContact OD2-OG1 3.3Å; D203-Y210 VanDerWaalsContact OD1-CE1 3.3Å; D203-Y210 WeakPolarHBondContact OD1-CE1 3.44Å; D203-Y210 PolarHBondContact OD2-OH 2.79Å; D203-K214 IonicContact OD1-NZ 3.18Å; D203-K214 PolarHBondContact OD1-NZ 3.48Å
204	G	79.2	Confident	86.6	Confident	54 Å²	54	56.1 Å²	56.1	56%	0.557	31%	0.308	S	S	*	.	S	Bend	trans	86.3	-5.7	-174.3	0	0	0	0	0	114.6	N202	N202-G204 WeakPolarHBondContact OD1-CA 3.37Å; N202-G204 PolarHBondContact OD1-N 2.87Å
205	T	80.6	Confident	86.5	Confident	60 Å²	60	57.7 Å²	57.7	37%	0.368	31%	0.313	S	S	.	.			trans	-89.9	116.6	179.4	-51.2	0	0	0	0	110.6	D203 Y210	D203-T205 VanDerWaalsContact C-N 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.3Å; D203-T205 PolarHBondContact OD1-N 2.92Å; D203-T205 PolarHBondContact OD1-OG1 2.93Å; D203-T205 WeakPolarHBondContact OD2-CB 3.5Å; D203-T205 PolarHBondContact OD2-OG1 3.3Å; T205-Y210 HydrophobicContact CG2-CD1 3.48Å; T205-Y210 VanDerWaalsContact CG2-CD1 3.48Å; T205-Y210 HydrophobicContact CG2-CD2 4.49Å; T205-Y210 HydrophobicContact CG2-CE1 3.92Å; T205-Y210 HydrophobicContact CG2-CG 3.79Å
206	N	79.1	Confident	86.6	Confident	129 Å²	129	58 Å²	58	69%	0.69	31%	0.313	S	S	*	.			trans	-115.7	24	-174.9	-65.7	-38.9	0	0	0	113.8
207	S	84.2	Confident	86.7	Confident	60 Å²	60	57.8 Å²	57.8	42%	0.42	31%	0.312	S	S	.	.			trans	-74.9	138.2	176.5	78.4	0	0	0	0	110.4	L209 Y210 I211	S207-L209 PolarHBondContact O-N 2.95Å; S207-Y210 PolarHBondContact O-N 2.96Å; S207-Y210 VanDerWaalsContact O-N 3.1Å; S207-Y210 WeakPolarHBondContact OG-CB 3.48Å; S207-Y210 PolarHBondContact OG-N 2.98Å; S207-I211 WeakPolarHBondContact O-CG1 3.29Å; S207-I211 PolarHBondContact O-N 3.21Å
208	E	83.2	Confident	86.8	Confident	176 Å²	176	58 Å²	58	82%	0.822	31%	0.313	S	S	*	.	H	α-helix	trans	-56.7	-37.7	-179.7	-66.9	177.9	173.4	0	0	112.2	I211 A212	E208-I211 PolarHBondContact O-N 2.98Å; E208-A212 PolarHBondContact O-N 3.21Å
209	L	83.6	Confident	87.1	Confident	91 Å²	91	58 Å²	58	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-45.6	177.4	-178.5	63.9	0	0	0	111.4	S207 I211 A212 E213 S295	S207-L209 PolarHBondContact O-N 2.95Å; L209-I211 VanDerWaalsContact C-N 3.35Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-E213 WeakPolarHBondContact O-CG 3.5Å; L209-E213 PolarHBondContact O-N 3.44Å; L209-S295 WeakPolarHBondContact CD1-OG 3.42Å
210	Y	84.6	Confident	87.4	Confident	58 Å²	58	57 Å²	57	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-37.7	179.7	178.9	-110.7	0	0	0	112	D203 T205 S207 A212 E213 K214	D203-Y210 VanDerWaalsContact OD1-CE1 3.3Å; D203-Y210 WeakPolarHBondContact OD1-CE1 3.44Å; D203-Y210 PolarHBondContact OD2-OH 2.79Å; T205-Y210 HydrophobicContact CG2-CD1 3.48Å; T205-Y210 VanDerWaalsContact CG2-CD1 3.48Å; T205-Y210 HydrophobicContact CG2-CD2 4.49Å; T205-Y210 HydrophobicContact CG2-CE1 3.92Å; T205-Y210 HydrophobicContact CG2-CG 3.79Å; S207-Y210 PolarHBondContact O-N 2.96Å; S207-Y210 VanDerWaalsContact O-N 3.1Å; S207-Y210 WeakPolarHBondContact OG-CB 3.48Å; S207-Y210 PolarHBondContact OG-N 2.98Å; Y210-A212 VanDerWaalsContact C-N 3.34Å; Y210-E213 PolarHBondContact O-N 2.75Å; Y210-K214 HydrophobicContact CD1-CD 4.2Å; Y210-K214 HydrophobicContact CE1-CD 3.83Å; Y210-K214 WeakPolarHBondContact O-CG 3.35Å; Y210-K214 PolarHBondContact O-N 2.63Å; Y210-K214 VanDerWaalsContact O-N 3.09Å; Y210-K214 WeakPolarHBondContact OH-CE 3.32Å; Y210-K214 PolarHBondContact OH-NZ 3Å
211	I	83.9	Confident	87.8	Confident	69 Å²	69	57.3 Å²	57.3	35%	0.354	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-42.5	173.4	-65.9	167.4	0	0	0	110.5	S207 E208 L209 K214	S207-I211 WeakPolarHBondContact O-CG1 3.29Å; S207-I211 PolarHBondContact O-N 3.21Å; E208-I211 PolarHBondContact O-N 2.98Å; L209-I211 VanDerWaalsContact C-N 3.35Å; I211-K214 WeakPolarHBondContact O-CB 3.46Å; I211-K214 PolarHBondContact O-N 3Å
212	A	86.2	Confident	88.5	Confident	47 Å²	47	57 Å²	57	39%	0.388	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-42.8	176.5	0	0	0	0	0	112.1	E208 L209 Y210 K214 R215	E208-A212 PolarHBondContact O-N 3.21Å; L209-A212 PolarHBondContact O-N 3.43Å; Y210-A212 VanDerWaalsContact C-N 3.34Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 3.43Å; A212-R215 PolarHBondContact O-N 3.21Å
213	E	89.6	Confident	89.5	Confident	71 Å²	71	52 Å²	52	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-31.8	177.4	-73.4	174.3	169.6	0	0	112.9	L209 Y210 R215 E216 S240	L209-E213 WeakPolarHBondContact O-CG 3.5Å; L209-E213 PolarHBondContact O-N 3.44Å; Y210-E213 PolarHBondContact O-N 2.75Å; E213-R215 PolarHBondContact O-N 3.11Å; E213-E216 WeakPolarHBondContact O-CB 3.43Å; E213-E216 PolarHBondContact O-N 3.39Å; E213-S240 PolarHBondContact O-OG 2.67Å
214	K	90.6	Very high	90.4	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-22.1	174.2	-79	171.4	155.1	175.3	0	113.8	P198 H201 D203 Y210 I211 A212	P198-K214 HydrophobicContact CB-CB 4.31Å; P198-K214 HydrophobicContact CB-CG 4.4Å; P198-K214 WeakPolarHBondContact O-CD 3.24Å; P198-K214 VanDerWaalsContact O-CE 3.3Å; P198-K214 WeakPolarHBondContact O-CE 3.3Å; H201-K214 PolarHBondContact O-NZ 3.19Å; D203-K214 IonicContact OD1-NZ 3.18Å; D203-K214 PolarHBondContact OD1-NZ 3.48Å; Y210-K214 HydrophobicContact CD1-CD 4.2Å; Y210-K214 HydrophobicContact CE1-CD 3.83Å; Y210-K214 WeakPolarHBondContact O-CG 3.35Å; Y210-K214 PolarHBondContact O-N 2.63Å; Y210-K214 VanDerWaalsContact O-N 3.09Å; Y210-K214 WeakPolarHBondContact OH-CE 3.32Å; Y210-K214 PolarHBondContact OH-NZ 3Å; I211-K214 WeakPolarHBondContact O-CB 3.46Å; I211-K214 PolarHBondContact O-N 3Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 3.43Å
215	R	91.9	Very high	91.2	Very high	70 Å²	70	47.9 Å²	47.9	26%	0.264	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.8	178.1	-59.9	-177.5	175.8	-127.7	-10.7	113.4	D45 D199 A212 E213 F217	D45-R215 HydrophobicContact CB-CB 4Å; D45-R215 WeakPolarHBondContact OD2-CD 3.27Å; D45-R215 IonicContact OD2-CZ 3.45Å; D45-R215 IonicContact OD2-NE 3.7Å; D45-R215 IonicContact OD2-NH1 3.45Å; D45-R215 PolarHBondContact OD2-NH1 3.47Å; D199-R215 HydrophobicContact CB-CG 4.16Å; D199-R215 VanDerWaalsContact CG-NE 3.29Å; D199-R215 WeakPolarHBondContact OD1-CG 3.45Å; D199-R215 IonicContact OD1-CZ 3.21Å; D199-R215 VanDerWaalsContact OD1-CZ 3.27Å; D199-R215 IonicContact OD1-NE 3.9Å; D199-R215 PolarHBondContact OD1-NE 2.89Å; D199-R215 IonicContact OD1-NH2 2.74Å; D199-R215 PolarHBondContact OD1-NH2 2.93Å; D199-R215 IonicContact OD2-CZ 2.67Å; D199-R215 IonicContact OD2-NE 3.51Å; D199-R215 PolarHBondContact OD2-NE 3.39Å; D199-R215 IonicContact OD2-NH2 3.55Å; D199-R215 PolarHBondContact OD2-NH2 3.21Å; A212-R215 PolarHBondContact O-N 3.21Å; E213-R215 PolarHBondContact O-N 3.11Å; R215-F217 VanDerWaalsContact O-CD1 3.3Å; R215-F217 WeakPolarHBondContact O-CD1 3.37Å
216	E	95.4	Very high	91.8	Very high	19 Å²	19	48.1 Å²	48.1	9%	0.089	25%	0.248	C	C	.	.			trans	-74.8	133.6	174.3	-69.6	-172.9	159.9	0	0	111.1	E213 R239 S288 F289	E213-E216 WeakPolarHBondContact O-CB 3.43Å; E213-E216 PolarHBondContact O-N 3.39Å; E216-R239 HydrophobicContact CB-CB 3.94Å; E216-R239 WeakPolarHBondContact O-CB 3.29Å; E216-R239 PolarHBondContact O-N 3.35Å; E216-R239 IonicContact OE1-NH1 3.03Å; E216-R239 WeakPolarHBondContact OE2-CD 3.31Å; E216-R239 IonicContact OE2-CZ 3.84Å; E216-R239 IonicContact OE2-NE 2.79Å; E216-R239 IonicContact OE2-NH1 2.75Å; E216-R239 PolarHBondContact OE2-NH1 2.95Å; E216-S288 WeakPolarHBondContact CA-OG 3.36Å; E216-F289 HydrophobicContact CB-CD1 3.59Å; E216-F289 HydrophobicContact CB-CE1 3.98Å; E216-F289 HydrophobicContact CB-CG 4.15Å; E216-F289 HydrophobicContact CG-CB 3.93Å; E216-F289 HydrophobicContact CG-CD1 3.97Å; E216-F289 HydrophobicContact CG-CG 4.07Å; E216-F289 WeakPolarHBondContact OE1-CB 3.5Å
217	F	97.5	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.5	-179.1	65.9	-87.5	0	0	0	112.4	L43 F48 Y94 R215 T219 T236 V237 F238 S288	L43-F217 HydrophobicContact CB-CZ 4.08Å; L43-F217 HydrophobicContact CD1-CE2 4.17Å; L43-F217 HydrophobicContact CD1-CZ 4.45Å; L43-F217 HydrophobicContact CD2-CE2 4.34Å; L43-F217 HydrophobicContact CD2-CZ 4.38Å; F48-F217 AromaticContact CE2-CD1 3.74Å; F48-F217 HydrophobicContact CE2-CD1 3.74Å; F48-F217 AromaticContact CE2-CE1 3.64Å; F48-F217 HydrophobicContact CE2-CE1 3.64Å; F48-F217 HydrophobicContact CE2-CZ 4.39Å; F48-F217 AromaticContact CZ-CD1 3.85Å; F48-F217 HydrophobicContact CZ-CD1 3.85Å; F48-F217 AromaticContact CZ-CE1 3.82Å; F48-F217 HydrophobicContact CZ-CE1 3.82Å; F48-F217 HydrophobicContact CZ-CG 4.3Å; F48-F217 HydrophobicContact CZ-CZ 4.22Å; Y94-F217 AromaticContact CD1-CE2 3.87Å; Y94-F217 HydrophobicContact CD1-CE2 3.87Å; Y94-F217 AromaticContact CD1-CZ 3.72Å; Y94-F217 HydrophobicContact CD1-CZ 3.72Å; Y94-F217 HydrophobicContact CE1-CD2 4.42Å; Y94-F217 HydrophobicContact CE1-CE1 4.32Å; Y94-F217 AromaticContact CE1-CE2 3.41Å; Y94-F217 HydrophobicContact CE1-CE2 3.41Å; Y94-F217 VanDerWaalsContact CE1-CE2 3.41Å; Y94-F217 AromaticContact CE1-CZ 3.35Å; Y94-F217 HydrophobicContact CE1-CZ 3.35Å; Y94-F217 AromaticContact CZ-CE2 3.83Å; R215-F217 VanDerWaalsContact O-CD1 3.3Å; R215-F217 WeakPolarHBondContact O-CD1 3.37Å; F217-T219 HydrophobicContact CE2-CG2 4.13Å; F217-T236 HydrophobicContact CB-CG2 3.95Å; F217-T236 HydrophobicContact CD2-CG2 3.74Å; F217-T236 HydrophobicContact CE2-CG2 4.47Å; F217-T236 HydrophobicContact CG-CG2 3.89Å; F217-V237 CarbonylContact C-O 3.54Å; F217-V237 VanDerWaalsContact CA-O 3.28Å; F217-V237 WeakPolarHBondContact CA-O 3.45Å; F217-V237 WeakPolarHBondContact CB-O 3.25Å; F217-F238 HydrophobicContact CB-CD1 4.29Å; F217-S288 PolarHBondContact N-OG 2.84Å; F217-S288 PolarHBondContact O-N 3.37Å; F217-S288 PolarHBondContact O-OG 3.26Å
218	W	98.3	Very high	92.9	Very high	6 Å²	6	42.7 Å²	42.7	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.6	162.3	-62.4	-81.8	0	0	0	110.4	I32 A34 I120 T236 V237 R239 V285 R286 F289	I32-W218 HydrophobicContact CD1-CB 4.16Å; I32-W218 HydrophobicContact CD1-CD2 4.33Å; I32-W218 HydrophobicContact CD1-CE3 4.23Å; I32-W218 HydrophobicContact CD1-CG 4.34Å; I32-W218 HydrophobicContact CG2-CD2 3.72Å; I32-W218 HydrophobicContact CG2-CE3 4.35Å; I32-W218 HydrophobicContact CG2-CG 3.8Å; I32-W218 HydrophobicContact CG2-CZ2 4.14Å; A34-W218 HydrophobicContact CB-CZ2 4.3Å; I120-W218 HydrophobicContact CD1-CE3 4.27Å; I120-W218 HydrophobicContact CD1-CH2 3.79Å; I120-W218 HydrophobicContact CD1-CZ3 3.61Å; I120-W218 HydrophobicContact CG1-CH2 4.32Å; I120-W218 HydrophobicContact CG1-CZ3 4.39Å; I120-W218 HydrophobicContact CG2-CH2 4.09Å; W218-T236 CarbonylContact O-C 3.54Å; W218-T236 WeakPolarHBondContact O-CA 3.34Å; W218-V237 HydrophobicContact CE3-CB 4.43Å; W218-V237 HydrophobicContact CE3-CG1 4.41Å; W218-V237 PolarHBondContact N-O 3.43Å; W218-V237 PolarHBondContact O-N 3.08Å; W218-R239 HydrophobicContact CH2-CB 4.2Å; W218-R239 HydrophobicContact CH2-CG 3.79Å; W218-R239 HydrophobicContact CZ3-CB 3.96Å; W218-R239 HydrophobicContact CZ3-CG 4.05Å; W218-V285 HydrophobicContact CB-CG1 3.73Å; W218-V285 HydrophobicContact CG-CG1 4.03Å; W218-R286 CarbonylContact C-O 3.59Å; W218-R286 VanDerWaalsContact CA-O 3.24Å; W218-R286 WeakPolarHBondContact CA-O 3.39Å; W218-F289 HydrophobicContact CD2-CE1 4.26Å; W218-F289 HydrophobicContact CD2-CZ 4.11Å; W218-F289 AromaticContact CE2-CZ 3.42Å; W218-F289 VanDerWaalsContact CE2-CZ 3.42Å; W218-F289 HydrophobicContact CH2-CZ 4.04Å; W218-F289 HydrophobicContact CZ2-CE1 4.35Å; W218-F289 HydrophobicContact CZ2-CE2 4.21Å; W218-F289 AromaticContact CZ2-CZ 3.42Å; W218-F289 HydrophobicContact CZ2-CZ 3.42Å; W218-F289 VanDerWaalsContact CZ2-CZ 3.42Å; W218-F289 AromaticContact NE1-CZ 3.63Å
219	T	98.6	Very high	93.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.8	171.5	-176.3	0	0	0	0	111.9	L43 Y94 F217 W235 R286	L43-T219 HydrophobicContact CD1-CG2 3.96Å; L43-T219 HydrophobicContact CD2-CG2 4.01Å; Y94-T219 HydrophobicContact CD2-CG2 4.25Å; Y94-T219 HydrophobicContact CE2-CG2 4.5Å; F217-T219 HydrophobicContact CE2-CG2 4.13Å; T219-W235 WeakPolarHBondContact CA-O 3.31Å; T219-W235 VanDerWaalsContact CB-O 3.31Å; T219-W235 WeakPolarHBondContact CB-O 3.44Å; T219-W235 PolarHBondContact OG1-O 3.29Å; T219-R286 HydrophobicContact CG2-CB 4.06Å; T219-R286 PolarHBondContact N-O 2.87Å; T219-R286 PolarHBondContact O-N 2.99Å
220	Y	98.6	Very high	94.2	Very high	7 Å²	7	31 Å²	31	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.7	179.3	77.4	-81.1	0	0	0	111.5	S28 I30 H118 W235 V237	S28-Y220 WeakPolarHBondContact CB-OH 3.5Å; S28-Y220 PolarHBondContact OG-OH 2.65Å; I30-Y220 HydrophobicContact CD1-CD1 3.95Å; I30-Y220 HydrophobicContact CD1-CD2 3.92Å; I30-Y220 HydrophobicContact CD1-CE1 3.83Å; I30-Y220 HydrophobicContact CD1-CE2 3.83Å; I30-Y220 HydrophobicContact CD1-CG 4Å; I30-Y220 HydrophobicContact CG1-CE1 3.99Å; I30-Y220 HydrophobicContact CG1-CE2 4.13Å; I30-Y220 HydrophobicContact CG2-CE2 4.31Å; H118-Y220 AromaticContact NE2-CE1 3.53Å; H118-Y220 AromaticContact NE2-CZ 3.48Å; H118-Y220 PolarHBondContact NE2-OH 3.08Å; Y220-W235 HydrophobicContact CD1-CB 3.64Å; Y220-W235 HydrophobicContact CD1-CG 4.37Å; Y220-W235 HydrophobicContact CE1-CB 3.32Å; Y220-W235 AromaticContact CE1-CD1 3.98Å; Y220-W235 AromaticContact CE1-CG 3.66Å; Y220-W235 HydrophobicContact CE1-CG 3.66Å; Y220-W235 AromaticContact CE2-CD1 3.84Å; Y220-W235 HydrophobicContact CE2-CG 4.34Å; Y220-W235 HydrophobicContact CG-CB 4.36Å; Y220-W235 AromaticContact CZ-CD1 3.48Å; Y220-W235 VanDerWaalsContact CZ-CD1 3.48Å; Y220-W235 AromaticContact CZ-CG 3.62Å; Y220-W235 PolarHBondContact N-O 3Å; Y220-W235 PolarHBondContact O-N 2.66Å; Y220-V237 HydrophobicContact CE1-CG2 4.19Å
221	E	98.5	Very high	94.8	Very high	94 Å²	94	30.5 Å²	30.5	44%	0.439	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.4	171.7	-67.3	-178.8	-173.4	0	0	111.4	R26 R283	R26-E221 IonicContact NH1-OE2 3.62Å; R26-E221 PolarHBondContact NH1-OE2 3.34Å; E221-R283 WeakPolarHBondContact O-CD 3.4Å; E221-R283 PolarHBondContact O-NH1 3.27Å
222	G	98.6	Very high	95.5	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-155.1	-174.5	0	0	0	0	0	113.9	R26 S28 E231 C232 V233	R26-G222 CarbonylContact O-C 3.09Å; R26-G222 WeakPolarHBondContact O-CA 3.05Å; S28-G222 WeakPolarHBondContact OG-CA 3.21Å; G222-E231 CarbonylContact O-C 3.33Å; G222-E231 VanDerWaalsContact O-CA 3.3Å; G222-E231 WeakPolarHBondContact O-CA 3.28Å; G222-C232 PolarHBondContact O-N 2.86Å; G222-V233 PolarHBondContact N-O 2.84Å; G222-V233 PolarHBondContact O-N 2.86Å
223	S	98.7	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-124.1	171.3	-177.8	77.2	0	0	0	0	112.3	R26 Q27 S28 S230 V233 W235	R26-S223 PolarHBondContact O-N 2.86Å; R26-S223 VanDerWaalsContact O-N 3.16Å; Q27-S223 WeakPolarHBondContact CA-OG 3.49Å; Q27-S223 PolarHBondContact NE2-OG 3.05Å; Q27-S223 PolarHBondContact OE1-OG 2.98Å; S28-S223 WeakPolarHBondContact CB-O 3.36Å; S28-S223 PolarHBondContact N-OG 2.6Å; S28-S223 PolarHBondContact OG-N 2.79Å; S28-S223 VanDerWaalsContact OG-N 3.07Å; S223-S230 CarbonylContact C-O 3.51Å; S223-S230 WeakPolarHBondContact CA-O 3.44Å; S223-S230 VanDerWaalsContact CB-O 3.22Å; S223-S230 WeakPolarHBondContact CB-O 3.37Å; S223-V233 VanDerWaalsContact C-CG2 3.47Å; S223-W235 WeakPolarHBondContact O-CZ2 3.17Å; S223-W235 PolarHBondContact O-NE1 3.36Å
224	L	97.8	Very high	96.5	Very high	30 Å²	30	22.5 Å²	22.5	16%	0.157	12%	0.117	C	C	.	.			trans	-59.7	142.9	155.9	-59	176.3	0	0	0	109.6	L145 T226 S230 V233 R275	L145-L224 HydrophobicContact CD2-CD1 3.66Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 WeakPolarHBondContact CB-O 3.46Å; L224-S230 PolarHBondContact N-O 2.71Å; L224-V233 HydrophobicContact CD2-CG2 3.78Å; L224-V233 HydrophobicContact CG-CG2 4.25Å; L224-R275 PolarHBondContact O-NH1 2.99Å
225	T	96.7	Very high	96.9	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.037	12%	0.116	C	C	.	.	S	Bend	trans	-88.4	-2.4	175	62.6	0	0	0	0	112.9	W15 E117 W235 R275	W15-T225 VanDerWaalsContact CH2-O 3.29Å; W15-T225 WeakPolarHBondContact CH2-O 3.48Å; W15-T225 WeakPolarHBondContact CZ3-O 3.46Å; E117-T225 WeakPolarHBondContact OE2-CB 3.43Å; E117-T225 WeakPolarHBondContact OE2-CG2 3.36Å; E117-T225 PolarHBondContact OE2-OG1 2.79Å; T225-W235 HydrophobicContact CG2-CH2 4.07Å; T225-W235 HydrophobicContact CG2-CZ2 3.77Å; T225-R275 WeakPolarHBondContact O-CD 3.11Å
226	T	93	Very high	97.3	Very high	64 Å²	64	18.9 Å²	18.9	39%	0.393	10%	0.103	S	C	.	.	S	Bend	trans	-120.8	159.8	171.2	61.3	0	0	0	0	110.5	L224 C229	L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 WeakPolarHBondContact CB-O 3.46Å; T226-C229 WeakPolarHBondContact O-CA 3.29Å; T226-C229 PolarHBondContact O-N 3.32Å
227	P	91.6	Very high	97.4	Very high	26 Å²	26	18 Å²	18	17%	0.169	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	138.4	171.6	-33.4	41.8	0	0	0	112.8	A7 W15 F19 C229	A7-P227 HydrophobicContact CB-CB 4.21Å; A7-P227 HydrophobicContact CB-CG 3.73Å; W15-P227 HydrophobicContact CB-CG 4.28Å; W15-P227 HydrophobicContact CD2-CG 3.49Å; W15-P227 VanDerWaalsContact CD2-CG 3.49Å; W15-P227 HydrophobicContact CE3-CG 3.95Å; W15-P227 HydrophobicContact CG-CG 3.66Å; W15-P227 HydrophobicContact CZ2-CG 4.3Å; F19-P227 HydrophobicContact CD1-CB 4.04Å; F19-P227 HydrophobicContact CD2-CB 3.58Å; F19-P227 HydrophobicContact CD2-CG 3.87Å; F19-P227 HydrophobicContact CE1-CB 3.96Å; F19-P227 HydrophobicContact CE2-CB 3.51Å; F19-P227 HydrophobicContact CE2-CG 3.91Å; F19-P227 HydrophobicContact CG-CB 3.83Å; F19-P227 HydrophobicContact CG-CG 4.49Å; F19-P227 HydrophobicContact CZ-CB 3.7Å; P227-C229 VanDerWaalsContact C-N 3.34Å
228	P	94.2	Very high	97.4	Very high	49 Å²	49	18.1 Å²	18.1	32%	0.318	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	9.2	13	34.8	-37.5	0	0	0	115.6	F19 S230	F19-P228 HydrophobicContact CD1-CB 3.84Å; F19-P228 HydrophobicContact CE1-CB 4.43Å; P228-S230 PolarHBondContact O-N 2.69Å
229	C	95.7	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.			trans	59.6	30.2	-179.8	-48.3	0	0	0	0	113.7	A22 Q27 T226 P227	A22-C229 HydrophobicContact CB-CB 3.91Å; Q27-C229 PolarHBondContact NE2-O 2.67Å; T226-C229 WeakPolarHBondContact O-CA 3.29Å; T226-C229 PolarHBondContact O-N 3.32Å; P227-C229 VanDerWaalsContact C-N 3.34Å
230	S	97.2	Very high	97.1	Very high	21 Å²	21	23.4 Å²	23.4	15%	0.147	12%	0.123	C	C	.	.			trans	-60.6	135.6	178.9	-66.2	0	0	0	0	111.4	S223 L224 P228 C232	S223-S230 CarbonylContact C-O 3.51Å; S223-S230 WeakPolarHBondContact CA-O 3.44Å; S223-S230 VanDerWaalsContact CB-O 3.22Å; S223-S230 WeakPolarHBondContact CB-O 3.37Å; L224-S230 PolarHBondContact N-O 2.71Å; P228-S230 PolarHBondContact O-N 2.69Å; S230-C232 VanDerWaalsContact CB-SG 3.56Å; S230-C232 PolarHBondContact O-N 3.26Å; S230-C232 PolarHBondContact O-SG 2.96Å
231	E	98.3	Very high	97	Very high	49 Å²	49	24.5 Å²	24.5	23%	0.229	13%	0.134	C	C	.	.	S	Bend	trans	-79.7	67.9	175.1	-60	-174.5	169.4	0	0	111	G24 N25 R26 G222	G24-E231 WeakPolarHBondContact CA-OE1 3.11Å; N25-E231 PolarHBondContact N-OE1 2.8Å; R26-E231 WeakPolarHBondContact CA-OE1 2.92Å; R26-E231 HydrophobicContact CB-CB 4.41Å; R26-E231 HydrophobicContact CB-CG 4.09Å; R26-E231 IonicContact CZ-OE2 3.68Å; R26-E231 PolarHBondContact N-OE1 2.83Å; R26-E231 IonicContact NE-OE2 3Å; R26-E231 PolarHBondContact NE-OE2 3.1Å; R26-E231 IonicContact NH2-OE2 3.42Å; R26-E231 PolarHBondContact NH2-OE2 3.34Å; G222-E231 CarbonylContact O-C 3.33Å; G222-E231 VanDerWaalsContact O-CA 3.3Å; G222-E231 WeakPolarHBondContact O-CA 3.28Å
232	C	98.4	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.			trans	-130.8	21.8	-170.4	61.9	0	0	0	0	113.1	H147 P148 G150 F151 G222 S230	H147-C232 WeakPolarHBondContact O-CA 3.25Å; H147-C232 WeakPolarHBondContact O-CB 3.18Å; P148-C232 CarbonylContact O-C 3.54Å; G150-C232 PolarHBondContact N-O 3.4Å; F151-C232 HydrophobicContact CD2-CB 4.24Å; F151-C232 VanDerWaalsContact CD2-SG 3.59Å; F151-C232 PolarHBondContact N-O 3.09Å; G222-C232 PolarHBondContact O-N 2.86Å; S230-C232 VanDerWaalsContact CB-SG 3.56Å; S230-C232 PolarHBondContact O-N 3.26Å; S230-C232 PolarHBondContact O-SG 2.96Å
233	V	98.8	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.7	-171.4	-175.8	0	0	0	0	111.1	P148 F151 V153 G222 S223 L224 W235	P148-V233 PolarHBondContact O-N 2.96Å; F151-V233 HydrophobicContact CB-CG2 4.26Å; F151-V233 WeakPolarHBondContact O-CA 3.31Å; V153-V233 HydrophobicContact CB-CG1 3.79Å; V153-V233 HydrophobicContact CG2-CG1 3.52Å; V153-V233 HydrophobicContact CG2-CG2 4.46Å; G222-V233 PolarHBondContact N-O 2.84Å; G222-V233 PolarHBondContact O-N 2.86Å; S223-V233 VanDerWaalsContact C-CG2 3.47Å; L224-V233 HydrophobicContact CD2-CG2 3.78Å; L224-V233 HydrophobicContact CG-CG2 4.25Å; V233-W235 HydrophobicContact CG1-CD2 3.92Å; V233-W235 HydrophobicContact CG1-CG 3.88Å; V233-W235 HydrophobicContact CG1-CZ2 4.27Å
234	I	98.8	Very high	96.8	Very high	19 Å²	19	21.8 Å²	21.8	10%	0.097	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.8	158.9	-57.6	173.7	0	0	0	107.1	Y94 L95 P96 D149 F151 A152 V153	Y94-I234 HydrophobicContact CE2-CG2 4.39Å; L95-I234 HydrophobicContact CD2-CB 4.25Å; L95-I234 HydrophobicContact CD2-CD1 4.33Å; L95-I234 HydrophobicContact CD2-CG2 3.89Å; P96-I234 HydrophobicContact CG-CD1 3.99Å; D149-I234 HydrophobicContact CB-CD1 3.86Å; D149-I234 HydrophobicContact CB-CG1 4.5Å; F151-I234 PolarHBondContact O-N 3.35Å; A152-I234 WeakPolarHBondContact CA-O 3.34Å; V153-I234 PolarHBondContact N-O 3.36Å
235	W	98.9	Very high	96.8	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.2	-179.9	-78.4	95.3	0	0	0	111.4	S28 H118 H130 V153 A155 T219 Y220 S223 T225 V233	S28-W235 PolarHBondContact OG-NE1 2.77Å; H118-W235 AromaticContact CE1-CD2 3.95Å; H118-W235 AromaticContact CE1-CE3 3.71Å; H118-W235 AromaticContact CE1-CZ3 3.81Å; H130-W235 AromaticContact CD2-CH2 3.98Å; H130-W235 AromaticContact CD2-CZ3 3.68Å; H130-W235 AromaticContact CE1-CH2 3.6Å; H130-W235 AromaticContact NE2-CH2 3.51Å; H130-W235 AromaticContact NE2-CZ3 3.47Å; H130-W235 WeakPolarHBondContact NE2-CZ3 3.44Å; V153-W235 HydrophobicContact CB-CD2 4.28Å; V153-W235 HydrophobicContact CB-CE3 3.86Å; V153-W235 HydrophobicContact CB-CH2 4.12Å; V153-W235 HydrophobicContact CB-CZ2 4.5Å; V153-W235 HydrophobicContact CB-CZ3 3.78Å; V153-W235 HydrophobicContact CG1-CE3 3.83Å; V153-W235 HydrophobicContact CG1-CH2 3.65Å; V153-W235 HydrophobicContact CG1-CZ2 4.47Å; V153-W235 HydrophobicContact CG1-CZ3 3.27Å; A155-W235 HydrophobicContact CB-CE3 4.08Å; A155-W235 HydrophobicContact CB-CZ3 3.95Å; T219-W235 WeakPolarHBondContact CA-O 3.31Å; T219-W235 VanDerWaalsContact CB-O 3.31Å; T219-W235 WeakPolarHBondContact CB-O 3.44Å; T219-W235 PolarHBondContact OG1-O 3.29Å; Y220-W235 HydrophobicContact CD1-CB 3.64Å; Y220-W235 HydrophobicContact CD1-CG 4.37Å; Y220-W235 HydrophobicContact CE1-CB 3.32Å; Y220-W235 AromaticContact CE1-CD1 3.98Å; Y220-W235 AromaticContact CE1-CG 3.66Å; Y220-W235 HydrophobicContact CE1-CG 3.66Å; Y220-W235 AromaticContact CE2-CD1 3.84Å; Y220-W235 HydrophobicContact CE2-CG 4.34Å; Y220-W235 HydrophobicContact CG-CB 4.36Å; Y220-W235 AromaticContact CZ-CD1 3.48Å; Y220-W235 VanDerWaalsContact CZ-CD1 3.48Å; Y220-W235 AromaticContact CZ-CG 3.62Å; Y220-W235 PolarHBondContact N-O 3Å; Y220-W235 PolarHBondContact O-N 2.66Å; S223-W235 WeakPolarHBondContact O-CZ2 3.17Å; S223-W235 PolarHBondContact O-NE1 3.36Å; T225-W235 HydrophobicContact CG2-CH2 4.07Å; T225-W235 HydrophobicContact CG2-CZ2 3.77Å; V233-W235 HydrophobicContact CG1-CD2 3.92Å; V233-W235 HydrophobicContact CG1-CG 3.88Å; V233-W235 HydrophobicContact CG1-CZ2 4.27Å
236	T	98.8	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	106.8	167.8	-49.6	0	0	0	0	107.3	F48 Y94 V153 L154 A155 F217 W218 F238	F48-T236 HydrophobicContact CE1-CG2 4.13Å; F48-T236 HydrophobicContact CZ-CG2 3.81Å; Y94-T236 VanDerWaalsContact OH-CG2 3.27Å; Y94-T236 WeakPolarHBondContact OH-CG2 3.4Å; Y94-T236 PolarHBondContact OH-OG1 3.15Å; V153-T236 PolarHBondContact O-N 2.91Å; L154-T236 CarbonylContact C-O 3.49Å; L154-T236 WeakPolarHBondContact CA-O 3.48Å; L154-T236 VanDerWaalsContact CD2-CB 3.49Å; L154-T236 HydrophobicContact CD2-CG2 3.85Å; A155-T236 PolarHBondContact N-O 2.87Å; F217-T236 HydrophobicContact CB-CG2 3.95Å; F217-T236 HydrophobicContact CD2-CG2 3.74Å; F217-T236 HydrophobicContact CE2-CG2 4.47Å; F217-T236 HydrophobicContact CG-CG2 3.89Å; W218-T236 CarbonylContact O-C 3.54Å; W218-T236 WeakPolarHBondContact O-CA 3.34Å; T236-F238 HydrophobicContact CG2-CE2 4.49Å
237	V	98.6	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.1	-179.3	-172.9	0	0	0	0	107.4	I32 A155 F157 F217 W218 Y220	I32-V237 HydrophobicContact CD1-CB 3.89Å; I32-V237 HydrophobicContact CD1-CG1 3.99Å; I32-V237 HydrophobicContact CD1-CG2 3.88Å; A155-V237 HydrophobicContact CB-CB 4.39Å; A155-V237 HydrophobicContact CB-CG1 4.27Å; A155-V237 HydrophobicContact CB-CG2 4.09Å; F157-V237 HydrophobicContact CE2-CG1 3.6Å; F157-V237 HydrophobicContact CZ-CG1 3.57Å; F217-V237 CarbonylContact C-O 3.54Å; F217-V237 VanDerWaalsContact CA-O 3.28Å; F217-V237 WeakPolarHBondContact CA-O 3.45Å; F217-V237 WeakPolarHBondContact CB-O 3.25Å; W218-V237 HydrophobicContact CE3-CB 4.43Å; W218-V237 HydrophobicContact CE3-CG1 4.41Å; W218-V237 PolarHBondContact N-O 3.43Å; W218-V237 PolarHBondContact O-N 3.08Å; Y220-V237 HydrophobicContact CE1-CG2 4.19Å
238	F	97.8	Very high	97.3	Very high	2 Å²	2	24 Å²	24	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.1	178.4	-73.7	-81.8	0	0	0	110.3	F48 L154 A155 V156 I197 P198 F217 T236	F48-F238 HydrophobicContact CE2-CE1 4.23Å; F48-F238 HydrophobicContact CE2-CZ 4.43Å; F48-F238 HydrophobicContact CZ-CE1 4.32Å; F48-F238 HydrophobicContact CZ-CZ 4.2Å; L154-F238 HydrophobicContact CB-CE2 4.07Å; L154-F238 HydrophobicContact CD1-CE2 4.4Å; L154-F238 HydrophobicContact CD2-CE2 4.3Å; L154-F238 HydrophobicContact CG-CE2 4.47Å; A155-F238 PolarHBondContact O-N 3.38Å; V156-F238 HydrophobicContact CG2-CD2 3.63Å; V156-F238 HydrophobicContact CG2-CE2 4.16Å; V156-F238 HydrophobicContact CG2-CG 4.49Å; I197-F238 HydrophobicContact CG2-CE2 4.41Å; I197-F238 HydrophobicContact CG2-CZ 4.11Å; P198-F238 HydrophobicContact CG-CB 3.94Å; P198-F238 HydrophobicContact CG-CD1 4.39Å; P198-F238 HydrophobicContact CG-CG 4.05Å; F217-F238 HydrophobicContact CB-CD1 4.29Å; T236-F238 HydrophobicContact CG2-CE2 4.49Å
239	R	95.4	Very high	97.5	Very high	91 Å²	91	21.6 Å²	21.6	34%	0.343	11%	0.113	S	C	.	.	S	Bend	trans	-71.8	-40.7	176.4	-170.8	-170.1	-177.5	-178.7	-9.2	111.4	E216 W218 F289	E216-R239 HydrophobicContact CB-CB 3.94Å; E216-R239 WeakPolarHBondContact O-CB 3.29Å; E216-R239 PolarHBondContact O-N 3.35Å; E216-R239 IonicContact OE1-NH1 3.03Å; E216-R239 WeakPolarHBondContact OE2-CD 3.31Å; E216-R239 IonicContact OE2-CZ 3.84Å; E216-R239 IonicContact OE2-NE 2.79Å; E216-R239 IonicContact OE2-NH1 2.75Å; E216-R239 PolarHBondContact OE2-NH1 2.95Å; W218-R239 HydrophobicContact CH2-CB 4.2Å; W218-R239 HydrophobicContact CH2-CG 3.79Å; W218-R239 HydrophobicContact CZ3-CB 3.96Å; W218-R239 HydrophobicContact CZ3-CG 4.05Å; R239-F289 HydrophobicContact CB-CE1 4.23Å; R239-F289 HydrophobicContact CB-CZ 4.24Å; R239-F289 HydrophobicContact CG-CE1 4.5Å; R239-F289 HydrophobicContact CG-CZ 4.04Å
240	S	95.1	Very high	97.6	Very high	27 Å²	27	26.2 Å²	26.2	19%	0.189	14%	0.135	C	C	.	.	S	Bend	trans	-76.9	133.5	179.3	-70.7	0	0	0	0	111	P198 E213	P198-S240 WeakPolarHBondContact CG-O 3.47Å; E213-S240 PolarHBondContact O-OG 2.67Å
241	A	96.2	Very high	97.6	Very high	31 Å²	31	26.5 Å²	26.5	26%	0.256	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-97.3	152	175.3	0	0	0	0	0	111	Y125 F157 N159	Y125-A241 HydrophobicContact CD1-CB 4.04Å; Y125-A241 HydrophobicContact CE1-CB 3.83Å; F157-A241 HydrophobicContact CB-CB 3.75Å; F157-A241 CarbonylContact O-C 3.32Å; F157-A241 VanDerWaalsContact O-CA 3.29Å; F157-A241 WeakPolarHBondContact O-CA 3.26Å; F157-A241 WeakPolarHBondContact O-CB 3.22Å; N159-A241 HydrophobicContact CB-CB 3.78Å
242	I	96.8	Very high	97.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.3	172.7	-67.7	176.9	0	0	0	108.8	V156 F157 L158 N159 N165 L168 C195 L196 P198 H201	V156-I242 HydrophobicContact CG1-CD1 3.59Å; V156-I242 HydrophobicContact CG1-CG1 3.8Å; F157-I242 PolarHBondContact O-N 3.12Å; L158-I242 CarbonylContact C-O 3.51Å; L158-I242 WeakPolarHBondContact CA-O 3.3Å; L158-I242 HydrophobicContact CD2-CB 4.09Å; L158-I242 HydrophobicContact CD2-CG2 4.34Å; N159-I242 PolarHBondContact N-O 3.35Å; N165-I242 WeakPolarHBondContact ND2-CG2 3.35Å; L168-I242 HydrophobicContact CD1-CG2 3.96Å; C195-I242 WeakPolarHBondContact O-CD1 3.39Å; L196-I242 VanDerWaalsContact O-CD1 3.31Å; L196-I242 WeakPolarHBondContact O-CD1 3.28Å; P198-I242 HydrophobicContact CG-CG1 4.41Å; H201-I242 HydrophobicContact CB-CD1 4.46Å; H201-I242 HydrophobicContact CB-CG1 4.35Å
243	P	96.6	Very high	97.5	Very high	38 Å²	38	25.2 Å²	25.2	25%	0.247	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.8	176.9	27.9	-34.3	0	0	0	111.2	N159 T161 N165	N159-P243 CarbonylContact O-C 3.52Å; N159-P243 WeakPolarHBondContact O-CA 3.24Å; T161-P243 HydrophobicContact CG2-CB 3.67Å; N165-P243 VanDerWaalsContact CB-O 3.26Å; N165-P243 WeakPolarHBondContact CB-O 3.29Å; N165-P243 PolarHBondContact ND2-O 3.05Å
244	I	97.6	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.5	171	-171.3	167.1	0	0	0	108.6	L158 N159 E160 T161 L168 Q248 I249 F252	L158-I244 HydrophobicContact CB-CG2 3.86Å; L158-I244 HydrophobicContact CD1-CD1 4.2Å; N159-I244 PolarHBondContact O-N 2.76Å; E160-I244 CarbonylContact C-O 3.56Å; E160-I244 VanDerWaalsContact CA-O 3.24Å; E160-I244 WeakPolarHBondContact CA-O 3.38Å; T161-I244 PolarHBondContact N-O 3.49Å; T161-I244 PolarHBondContact OG1-O 2.92Å; L168-I244 HydrophobicContact CD1-CB 4.5Å; L168-I244 HydrophobicContact CD1-CD1 4.49Å; I244-Q248 HydrophobicContact CD1-CB 4.07Å; I244-Q248 HydrophobicContact CG1-CB 3.56Å; I244-I249 HydrophobicContact CD1-CB 4Å; I244-I249 HydrophobicContact CD1-CG1 4.47Å; I244-I249 HydrophobicContact CG1-CB 4.3Å; I244-I249 HydrophobicContact CG2-CB 4.38Å; I244-I249 HydrophobicContact CG2-CD1 4.31Å; I244-F252 HydrophobicContact CD1-CE2 3.76Å; I244-F252 HydrophobicContact CD1-CZ 3.59Å
245	S	97.8	Very high	97.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	159.1	178.8	75.2	0	0	0	0	112.6	T161 D163 D164 R247 Q248 I249	T161-S245 VanDerWaalsContact O-CA 3.29Å; T161-S245 WeakPolarHBondContact O-CA 3.27Å; D163-S245 WeakPolarHBondContact O-CB 3.14Å; D164-S245 WeakPolarHBondContact OD1-CB 3.45Å; D164-S245 PolarHBondContact OD1-OG 3.25Å; S245-R247 PolarHBondContact O-N 2.95Å; S245-R247 PolarHBondContact OG-N 3.08Å; S245-Q248 PolarHBondContact O-N 3.33Å; S245-Q248 VanDerWaalsContact O-N 3.08Å; S245-Q248 WeakPolarHBondContact OG-CB 3.37Å; S245-Q248 VanDerWaalsContact OG-CG 3.3Å; S245-Q248 WeakPolarHBondContact OG-CG 2.99Å; S245-Q248 PolarHBondContact OG-N 3.01Å; S245-I249 PolarHBondContact O-N 3.45Å
246	S	97.5	Very high	97.3	Very high	58 Å²	58	28.6 Å²	28.6	41%	0.406	15%	0.146	S	C	.	.	H	α-helix	trans	-52	-41.6	168.7	-52.3	0	0	0	0	111.8	E160 T161 Q248 I249 E250	E160-S246 WeakPolarHBondContact OE1-CA 3.39Å; E160-S246 WeakPolarHBondContact OE1-CB 3.32Å; E160-S246 PolarHBondContact OE1-OG 3.18Å; T161-S246 PolarHBondContact O-N 3.3Å; S246-Q248 PolarHBondContact O-N 2.89Å; S246-I249 WeakPolarHBondContact O-CG2 3.23Å; S246-E250 VanDerWaalsContact O-CB 3.31Å; S246-E250 WeakPolarHBondContact O-CB 3.3Å; S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 VanDerWaalsContact O-N 3.07Å
247	R	97.7	Very high	97.1	Very high	111 Å²	111	29 Å²	29	42%	0.419	15%	0.15	S	C	.	.	H	α-helix	trans	-61.5	-45.5	177.6	-177.6	-168.4	68.5	78.2	-7.9	111.4	D164 E169 S245	D164-R247 IonicContact OD1-CZ 3.92Å; D164-R247 IonicContact OD1-NE 3.41Å; D164-R247 PolarHBondContact OD1-NE 3.05Å; D164-R247 VanDerWaalsContact OD1-NE 3.09Å; D164-R247 IonicContact OD1-NH2 3.91Å; D164-R247 PolarHBondContact OD1-NH2 3.01Å; D164-R247 IonicContact OD2-CZ 3.77Å; D164-R247 VanDerWaalsContact OD2-CZ 3.22Å; D164-R247 IonicContact OD2-NE 3.31Å; D164-R247 PolarHBondContact OD2-NE 3.28Å; D164-R247 IonicContact OD2-NH2 3.55Å; D164-R247 PolarHBondContact OD2-NH2 3.14Å; E169-R247 IonicContact OE1-NH1 3.22Å; E169-R247 IonicContact OE1-NH2 2.75Å; E169-R247 PolarHBondContact OE1-NH2 3.09Å; E169-R247 IonicContact OE2-CZ 2.69Å; E169-R247 IonicContact OE2-NH1 3.85Å; E169-R247 IonicContact OE2-NH2 3.64Å; E169-R247 PolarHBondContact OE2-NH2 3.16Å; S245-R247 PolarHBondContact O-N 2.95Å; S245-R247 PolarHBondContact OG-N 3.08Å
248	Q	98.3	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-44.1	-175.7	-74.4	179	-40.5	0	0	111.8	N165 E169 V172 I244 S245 S246 E250 V251	N165-Q248 PolarHBondContact O-NE2 2.93Å; E169-Q248 PolarHBondContact OE2-NE2 3.44Å; V172-Q248 HydrophobicContact CG1-CB 4.22Å; V172-Q248 HydrophobicContact CG1-CG 4.19Å; V172-Q248 HydrophobicContact CG2-CB 3.98Å; V172-Q248 HydrophobicContact CG2-CG 4.09Å; I244-Q248 HydrophobicContact CD1-CB 4.07Å; I244-Q248 HydrophobicContact CG1-CB 3.56Å; S245-Q248 PolarHBondContact O-N 3.33Å; S245-Q248 VanDerWaalsContact O-N 3.08Å; S245-Q248 WeakPolarHBondContact OG-CB 3.37Å; S245-Q248 VanDerWaalsContact OG-CG 3.3Å; S245-Q248 WeakPolarHBondContact OG-CG 2.99Å; S245-Q248 PolarHBondContact OG-N 3.01Å; S246-Q248 PolarHBondContact O-N 2.89Å; Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 3.5Å; Q248-V251 WeakPolarHBondContact O-CB 3.22Å; Q248-V251 PolarHBondContact O-N 3.14Å
249	I	97.6	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-27.9	178.4	-161.4	163	0	0	0	112.5	A126 I244 S245 S246 V251 F252	A126-I249 HydrophobicContact CB-CD1 3.61Å; A126-I249 VanDerWaalsContact O-CD1 3.25Å; A126-I249 WeakPolarHBondContact O-CD1 3.46Å; I244-I249 HydrophobicContact CD1-CB 4Å; I244-I249 HydrophobicContact CD1-CG1 4.47Å; I244-I249 HydrophobicContact CG1-CB 4.3Å; I244-I249 HydrophobicContact CG2-CB 4.38Å; I244-I249 HydrophobicContact CG2-CD1 4.31Å; S245-I249 PolarHBondContact O-N 3.45Å; S246-I249 WeakPolarHBondContact O-CG2 3.23Å; I249-V251 PolarHBondContact O-N 2.94Å; I249-F252 HydrophobicContact CG1-CD2 3.94Å; I249-F252 HydrophobicContact CG1-CE2 4.29Å; I249-F252 WeakPolarHBondContact O-CB 3.39Å; I249-F252 PolarHBondContact O-N 3.16Å
250	E	97.5	Very high	96.7	Very high	96 Å²	96	32.9 Å²	32.9	45%	0.449	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-29.4	174.7	-162.2	61	-158.3	0	0	112.2	S246 Q248 F252 R253 T254	S246-E250 VanDerWaalsContact O-CB 3.31Å; S246-E250 WeakPolarHBondContact O-CB 3.3Å; S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 VanDerWaalsContact O-N 3.07Å; Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 3.5Å; E250-F252 PolarHBondContact O-N 2.8Å; E250-R253 PolarHBondContact O-N 2.77Å; E250-R253 VanDerWaalsContact O-N 3.11Å; E250-R253 VanDerWaalsContact OE2-CD 3.3Å; E250-R253 WeakPolarHBondContact OE2-CD 3.17Å; E250-R253 IonicContact OE2-CZ 2.79Å; E250-R253 IonicContact OE2-NE 3.07Å; E250-R253 IonicContact OE2-NH1 2.66Å; E250-R253 PolarHBondContact OE2-NH1 3.41Å; E250-T254 WeakPolarHBondContact O-CG2 3.15Å; E250-T254 PolarHBondContact O-N 3.44Å
251	V	98.2	Very high	96.6	Very high	27 Å²	27	39.4 Å²	39.4	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-36.9	173.3	179.4	0	0	0	0	111.1	V172 I175 Q248 I249 R253 T254	V172-V251 HydrophobicContact CG1-CB 4.01Å; V172-V251 HydrophobicContact CG1-CG1 4.28Å; V172-V251 HydrophobicContact CG1-CG2 3.71Å; I175-V251 HydrophobicContact CG2-CG1 4.25Å; Q248-V251 WeakPolarHBondContact O-CB 3.22Å; Q248-V251 PolarHBondContact O-N 3.14Å; I249-V251 PolarHBondContact O-N 2.94Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 2.86Å; V251-T254 WeakPolarHBondContact O-CB 3.1Å; V251-T254 PolarHBondContact O-N 3.21Å; V251-T254 VanDerWaalsContact O-N 3.16Å; V251-T254 PolarHBondContact O-OG1 3.07Å
252	F	97.8	Very high	96.4	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-34.5	-178.9	-53.4	-6.8	0	0	0	111	W67 W108 L158 V172 I175 I244 I249 E250 T254 L255	W67-F252 HydrophobicContact CZ2-CE2 4.49Å; W67-F252 HydrophobicContact CZ2-CZ 4.47Å; W67-F252 AromaticContact NE1-CD2 3.83Å; W67-F252 AromaticContact NE1-CE2 3.98Å; W67-F252 AromaticContact NE1-CG 3.86Å; W108-F252 HydrophobicContact CD2-CB 3.9Å; W108-F252 HydrophobicContact CD2-CD2 4.43Å; W108-F252 HydrophobicContact CE3-CB 4.27Å; W108-F252 HydrophobicContact CE3-CD2 4.3Å; W108-F252 HydrophobicContact CG-CB 4.22Å; W108-F252 HydrophobicContact CZ2-CB 4.23Å; W108-F252 WeakPolarHBondContact CZ2-O 3.42Å; L158-F252 HydrophobicContact CD1-CE2 4.1Å; V172-F252 HydrophobicContact CG2-CE1 4.26Å; I175-F252 HydrophobicContact CD1-CD1 4.08Å; I175-F252 HydrophobicContact CD1-CE1 3.62Å; I175-F252 HydrophobicContact CD1-CZ 4.28Å; I175-F252 HydrophobicContact CG2-CD1 4.05Å; I244-F252 HydrophobicContact CD1-CE2 3.76Å; I244-F252 HydrophobicContact CD1-CZ 3.59Å; I249-F252 HydrophobicContact CG1-CD2 3.94Å; I249-F252 HydrophobicContact CG1-CE2 4.29Å; I249-F252 WeakPolarHBondContact O-CB 3.39Å; I249-F252 PolarHBondContact O-N 3.16Å; E250-F252 PolarHBondContact O-N 2.8Å; F252-T254 PolarHBondContact O-N 2.72Å; F252-L255 WeakPolarHBondContact O-CB 3.22Å; F252-L255 VanDerWaalsContact O-CG 3.25Å; F252-L255 WeakPolarHBondContact O-CG 3.39Å; F252-L255 PolarHBondContact O-N 2.96Å
253	R	97	Very high	96	Very high	17 Å²	17	41.8 Å²	41.8	6%	0.064	21%	0.212	C	C	.	.	H	α-helix	trans	-74.2	-8.7	177.8	-58.8	172.8	-172.7	141.1	0.2	113.1	G109 E250 V251 L255 L271	G109-R253 VanDerWaalsContact O-CZ 3.28Å; G109-R253 PolarHBondContact O-NE 2.93Å; G109-R253 PolarHBondContact O-NH2 2.76Å; E250-R253 PolarHBondContact O-N 2.77Å; E250-R253 VanDerWaalsContact O-N 3.11Å; E250-R253 VanDerWaalsContact OE2-CD 3.3Å; E250-R253 WeakPolarHBondContact OE2-CD 3.17Å; E250-R253 IonicContact OE2-CZ 2.79Å; E250-R253 IonicContact OE2-NE 3.07Å; E250-R253 IonicContact OE2-NH1 2.66Å; E250-R253 PolarHBondContact OE2-NH1 3.41Å; V251-R253 VanDerWaalsContact C-N 3.29Å; V251-R253 PolarHBondContact O-N 2.86Å; R253-L255 VanDerWaalsContact C-N 3.32Å; R253-L271 HydrophobicContact CB-CD2 4.15Å
254	T	97	Very high	95.6	Very high	51 Å²	51	49.3 Å²	49.3	31%	0.313	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.2	172.8	73.9	0	0	0	0	113.8	E250 V251 F252 Y256	E250-T254 WeakPolarHBondContact O-CG2 3.15Å; E250-T254 PolarHBondContact O-N 3.44Å; V251-T254 WeakPolarHBondContact O-CB 3.1Å; V251-T254 PolarHBondContact O-N 3.21Å; V251-T254 VanDerWaalsContact O-N 3.16Å; V251-T254 PolarHBondContact O-OG1 3.07Å; F252-T254 PolarHBondContact O-N 2.72Å; T254-Y256 VanDerWaalsContact O-CD2 3.31Å; T254-Y256 WeakPolarHBondContact O-CD2 3.23Å; T254-Y256 WeakPolarHBondContact O-CE2 3.46Å
255	L	97.7	Very high	95	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.			trans	-71.3	146.1	-178.4	-57.8	175.5	0	0	0	111.4	W67 W108 I175 I178 K179 F252 R253 L270	W67-L255 HydrophobicContact CB-CD1 4.15Å; W108-L255 HydrophobicContact CH2-CD1 3.88Å; W108-L255 HydrophobicContact CZ2-CD1 4.08Å; I175-L255 HydrophobicContact CG2-CD1 4.02Å; I175-L255 HydrophobicContact CG2-CD2 4.09Å; I175-L255 HydrophobicContact CG2-CG 4.36Å; I178-L255 HydrophobicContact CG1-CD2 4.35Å; I178-L255 VanDerWaalsContact O-CD2 3.24Å; I178-L255 WeakPolarHBondContact O-CD2 3.12Å; K179-L255 CarbonylContact O-C 3.57Å; K179-L255 WeakPolarHBondContact O-CA 3.38Å; F252-L255 WeakPolarHBondContact O-CB 3.22Å; F252-L255 VanDerWaalsContact O-CG 3.25Å; F252-L255 WeakPolarHBondContact O-CG 3.39Å; F252-L255 PolarHBondContact O-N 2.96Å; R253-L255 VanDerWaalsContact C-N 3.32Å; L255-L270 HydrophobicContact CB-CB 4.36Å; L255-L270 HydrophobicContact CB-CD1 4.04Å; L255-L270 PolarHBondContact O-N 2.95Å
256	Y	96.7	Very high	94.5	Very high	42 Å²	42	64.3 Å²	64.3	17%	0.165	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-111.5	143.4	175.8	-74	-101.2	0	0	0	111	N62 K179 Y180 T254 N258 L263 P267 V268 Q269	N62-Y256 PolarHBondContact ND2-O 2.8Å; K179-Y256 VanDerWaalsContact CE-CE2 3.41Å; K179-Y256 HydrophobicContact CG-CD2 4.04Å; K179-Y256 HydrophobicContact CG-CE2 4.41Å; K179-Y256 PolarHBondContact O-N 3.26Å; Y180-Y256 HydrophobicContact CD1-CD2 4.08Å; Y180-Y256 HydrophobicContact CD1-CG 4.2Å; Y180-Y256 AromaticContact CE1-CD2 3.89Å; Y180-Y256 HydrophobicContact CE1-CD2 3.89Å; Y180-Y256 HydrophobicContact CE1-CE2 4.33Å; Y180-Y256 HydrophobicContact CE1-CG 4.3Å; T254-Y256 VanDerWaalsContact O-CD2 3.31Å; T254-Y256 WeakPolarHBondContact O-CD2 3.23Å; T254-Y256 WeakPolarHBondContact O-CE2 3.46Å; Y256-N258 PolarHBondContact O-N 2.6Å; Y256-L263 HydrophobicContact CD1-CD2 3.44Å; Y256-L263 VanDerWaalsContact CD1-CD2 3.44Å; Y256-L263 HydrophobicContact CE1-CD2 3.92Å; Y256-L263 HydrophobicContact CG-CD2 3.86Å; Y256-P267 HydrophobicContact CD1-CB 4.32Å; Y256-P267 HydrophobicContact CE1-CB 3.96Å; Y256-V268 CarbonylContact C-O 3.57Å; Y256-V268 WeakPolarHBondContact CA-O 3.48Å; Y256-Q269 HydrophobicContact CD1-CG 3.86Å; Y256-Q269 HydrophobicContact CD2-CG 4.47Å; Y256-Q269 HydrophobicContact CE1-CG 3.37Å; Y256-Q269 HydrophobicContact CE2-CG 4.02Å; Y256-Q269 HydrophobicContact CG-CG 4.4Å; Y256-Q269 VanDerWaalsContact CZ-CG 3.47Å
257	A	94.7	Very high	94.2	Very high	10 Å²	10	65.3 Å²	65.3	8%	0.083	31%	0.313	C	S	.	.	S	Bend	trans	-74.2	-10.7	174.4	0	0	0	0	0	112.8	G64 K181 V268 L270	G64-A257 WeakPolarHBondContact O-CA 3.49Å; G64-A257 VanDerWaalsContact O-CB 3.3Å; G64-A257 WeakPolarHBondContact O-CB 3.1Å; K181-A257 VanDerWaalsContact CD-O 3.23Å; K181-A257 WeakPolarHBondContact CD-O 3.37Å; A257-V268 HydrophobicContact CB-CB 4.04Å; A257-V268 HydrophobicContact CB-CG1 4.03Å; A257-V268 PolarHBondContact N-O 3.29Å; A257-L270 HydrophobicContact CB-CD2 3.65Å; A257-L270 HydrophobicContact CB-CG 4.18Å
258	N	93.7	Very high	94	Very high	30 Å²	30	62.9 Å²	62.9	16%	0.16	31%	0.31	C	S	.	.	S	Bend	trans	-108.6	149.4	-176.1	-54	91.5	0	0	0	111.1	K181 Y256 D262 L263 N266 V268	K181-N258 VanDerWaalsContact CB-C 3.47Å; K181-N258 PolarHBondContact N-O 2.96Å; Y256-N258 PolarHBondContact O-N 2.6Å; N258-D262 HydrophobicContact CB-CB 4.25Å; N258-L263 HydrophobicContact CB-CD2 4.49Å; N258-N266 PolarHBondContact OD1-O 2.82Å; N258-V268 VanDerWaalsContact OD1-CB 3.26Å; N258-V268 WeakPolarHBondContact OD1-CB 3.31Å; N258-V268 PolarHBondContact OD1-N 3.17Å
259	P	94.9	Very high	93.7	Very high	23 Å²	23	67 Å²	67	15%	0.149	33%	0.33	C	S	.	.			trans	-61.4	155.6	163.7	-20.9	35	0	0	0	110.4	K181 E261 D262	K181-P259 HydrophobicContact CB-CG 4.32Å; K181-P259 HydrophobicContact CD-CG 4.45Å; P259-E261 HydrophobicContact CB-CG 3.99Å; P259-E261 PolarHBondContact O-N 3.15Å; P259-D262 PolarHBondContact O-N 2.83Å
260	M	94.5	Very high	93.6	Very high	120 Å²	120	67.7 Å²	67.7	59%	0.591	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.5	-38.4	-175.6	-170.5	179.5	-178.4	0	0	112.8	Y180 D262 L263	Y180-M260 HydrophobicContact CD1-CB 4.38Å; Y180-M260 HydrophobicContact CD2-CB 3.66Å; Y180-M260 HydrophobicContact CD2-CG 3.8Å; Y180-M260 HydrophobicContact CD2-SD 4.08Å; Y180-M260 HydrophobicContact CE2-CB 4.14Å; Y180-M260 HydrophobicContact CE2-CE 4.25Å; Y180-M260 HydrophobicContact CE2-CG 3.73Å; Y180-M260 HydrophobicContact CE2-SD 3.82Å; Y180-M260 HydrophobicContact CG-CB 3.78Å; Y180-M260 HydrophobicContact CG-CG 4.23Å; M260-D262 PolarHBondContact O-N 3.22Å; M260-L263 HydrophobicContact CG-CD1 4.1Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 WeakPolarHBondContact O-CD1 3.31Å; M260-L263 VanDerWaalsContact O-CG 3.31Å; M260-L263 WeakPolarHBondContact O-CG 3.39Å; M260-L263 PolarHBondContact O-N 3.43Å
261	E	93.2	Very high	93.4	Very high	165 Å²	165	66.5 Å²	66.5	77%	0.771	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.3	178.8	59.1	-161.1	-151.6	0	0	115.1	P259	P259-E261 HydrophobicContact CB-CG 3.99Å; P259-E261 PolarHBondContact O-N 3.15Å
262	D	91.8	Very high	93.1	Very high	47 Å²	47	69.2 Å²	69.2	25%	0.251	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-99.5	-3.7	-178.7	-80.3	-29.8	0	0	0	113.7	N258 P259 M260 E264 R265 N266	N258-D262 HydrophobicContact CB-CB 4.25Å; P259-D262 PolarHBondContact O-N 2.83Å; M260-D262 PolarHBondContact O-N 3.22Å; D262-E264 VanDerWaalsContact C-N 3.29Å; D262-E264 PolarHBondContact O-N 2.83Å; D262-R265 PolarHBondContact O-N 2.93Å; D262-R265 VanDerWaalsContact O-N 3.13Å; D262-R265 IonicContact OD1-NH1 3.66Å; D262-N266 PolarHBondContact O-N 3.1Å
263	L	88	Confident	93	Very high	34 Å²	34	70.3 Å²	70.3	18%	0.178	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.7	-174.1	-68.7	171.9	0	0	0	113.8	Y180 Y256 N258 M260 R265 P267	Y180-L263 HydrophobicContact CD1-CD1 3.7Å; Y180-L263 HydrophobicContact CD1-CD2 4.17Å; Y180-L263 HydrophobicContact CD1-CG 4.3Å; Y180-L263 HydrophobicContact CE1-CD1 3.21Å; Y180-L263 HydrophobicContact CE1-CD2 4.16Å; Y180-L263 HydrophobicContact CE1-CG 4.2Å; Y256-L263 HydrophobicContact CD1-CD2 3.44Å; Y256-L263 VanDerWaalsContact CD1-CD2 3.44Å; Y256-L263 HydrophobicContact CE1-CD2 3.92Å; Y256-L263 HydrophobicContact CG-CD2 3.86Å; N258-L263 HydrophobicContact CB-CD2 4.49Å; M260-L263 HydrophobicContact CG-CD1 4.1Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 WeakPolarHBondContact O-CD1 3.31Å; M260-L263 VanDerWaalsContact O-CG 3.31Å; M260-L263 WeakPolarHBondContact O-CG 3.39Å; M260-L263 PolarHBondContact O-N 3.43Å; L263-R265 PolarHBondContact O-N 3.44Å; L263-P267 HydrophobicContact CD2-CB 4.16Å; L263-P267 VanDerWaalsContact O-CD 3.25Å; L263-P267 WeakPolarHBondContact O-CD 3.28Å
264	E	88.5	Confident	92.8	Very high	196 Å²	196	71.6 Å²	71.6	92%	0.916	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.4	179.8	-65.6	-173.2	167.3	0	0	112.4	D262	D262-E264 VanDerWaalsContact C-N 3.29Å; D262-E264 PolarHBondContact O-N 2.83Å
265	R	86.1	Confident	92.7	Very high	213 Å²	213	69.6 Å²	69.6	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-49.8	-176.1	-65.5	178	176.5	169.8	-1.3	112	D262 L263	D262-R265 PolarHBondContact O-N 2.93Å; D262-R265 VanDerWaalsContact O-N 3.13Å; D262-R265 IonicContact OD1-NH1 3.66Å; L263-R265 PolarHBondContact O-N 3.44Å
266	N	87.1	Confident	92.6	Very high	105 Å²	105	73.5 Å²	73.5	56%	0.561	37%	0.371	S	S	*	.			trans	-160.5	84.2	-176	-174.6	32.7	0	0	0	110.6	N258 D262 V268	N258-N266 PolarHBondContact OD1-O 2.82Å; D262-N266 PolarHBondContact O-N 3.1Å; N266-V268 PolarHBondContact O-N 3.48Å
267	P	89.9	Confident	92.6	Very high	78 Å²	78	74.5 Å²	74.5	51%	0.506	38%	0.381	S	S	.	.			trans	-73.4	116.7	-178.7	29.4	-30.5	0	0	0	110	Y256 L263	Y256-P267 HydrophobicContact CD1-CB 4.32Å; Y256-P267 HydrophobicContact CE1-CB 3.96Å; L263-P267 HydrophobicContact CD2-CB 4.16Å; L263-P267 VanDerWaalsContact O-CD 3.25Å; L263-P267 WeakPolarHBondContact O-CD 3.28Å
268	V	93	Very high	92.8	Very high	60 Å²	60	75.9 Å²	75.9	36%	0.364	39%	0.386	S	S	.	.			trans	-112.4	106.9	177.1	-176.3	0	0	0	0	108.9	Y256 A257 N258 N266	Y256-V268 CarbonylContact C-O 3.57Å; Y256-V268 WeakPolarHBondContact CA-O 3.48Å; A257-V268 HydrophobicContact CB-CB 4.04Å; A257-V268 HydrophobicContact CB-CG1 4.03Å; A257-V268 PolarHBondContact N-O 3.29Å; N258-V268 VanDerWaalsContact OD1-CB 3.26Å; N258-V268 WeakPolarHBondContact OD1-CB 3.31Å; N258-V268 PolarHBondContact OD1-N 3.17Å; N266-V268 PolarHBondContact O-N 3.48Å
269	Q	93.9	Very high	92.9	Very high	88 Å²	88	78.4 Å²	78.4	41%	0.411	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-75.5	141.5	171.4	-70.7	-178	-85.6	0	0	110.7	Y256 L271	Y256-Q269 HydrophobicContact CD1-CG 3.86Å; Y256-Q269 HydrophobicContact CD2-CG 4.47Å; Y256-Q269 HydrophobicContact CE1-CG 3.37Å; Y256-Q269 HydrophobicContact CE2-CG 4.02Å; Y256-Q269 HydrophobicContact CG-CG 4.4Å; Y256-Q269 VanDerWaalsContact CZ-CG 3.47Å; Q269-L271 VanDerWaalsContact C-N 3.25Å; Q269-L271 HydrophobicContact CB-CD2 4.06Å; Q269-L271 HydrophobicContact CB-CG 3.91Å; Q269-L271 PolarHBondContact O-N 3.38Å
270	L	94	Very high	93	Very high	13 Å²	13	79.8 Å²	79.8	7%	0.068	41%	0.41	C	S	.	.			trans	-81.3	73.5	174	-65.2	177	0	0	0	109.5	W108 L255 A257	W108-L270 HydrophobicContact CZ2-CB 3.87Å; W108-L270 PolarHBondContact NE1-O 3.07Å; L255-L270 HydrophobicContact CB-CB 4.36Å; L255-L270 HydrophobicContact CB-CD1 4.04Å; L255-L270 PolarHBondContact O-N 2.95Å; A257-L270 HydrophobicContact CB-CD2 3.65Å; A257-L270 HydrophobicContact CB-CG 4.18Å
271	L	94.2	Very high	93.1	Very high	72 Å²	72	77.9 Å²	77.9	38%	0.377	40%	0.402	S	S	.	.	S	Bend	trans	-84.2	-29.2	179	-61.6	-179.1	0	0	0	112.9	G109 T110 R253 Q269	G109-L271 CarbonylContact C-O 3.49Å; T110-L271 HydrophobicContact CG2-CB 3.97Å; T110-L271 WeakPolarHBondContact CG2-O 3.42Å; R253-L271 HydrophobicContact CB-CD2 4.15Å; Q269-L271 VanDerWaalsContact C-N 3.25Å; Q269-L271 HydrophobicContact CB-CD2 4.06Å; Q269-L271 HydrophobicContact CB-CG 3.91Å; Q269-L271 PolarHBondContact O-N 3.38Å
272	N	92.3	Very high	93.2	Very high	83 Å²	83	76.2 Å²	76.2	44%	0.444	41%	0.408	S	S	.	.			trans	-149.6	123.5	179.2	-173.6	-30	0	0	0	109	I274	N272-I274 WeakPolarHBondContact OD1-CG1 3.12Å; N272-I274 PolarHBondContact OD1-N 3.07Å
273	N	94.4	Very high	93.4	Very high	29 Å²	29	75.3 Å²	75.3	16%	0.155	40%	0.402	C	S	.	.			trans	-129	30.2	178.5	65.7	-16.2	0	0	0	112.3	T65 C106 H107 W108	T65-N273 VanDerWaalsContact O-CB 3.27Å; T65-N273 WeakPolarHBondContact O-CB 3.35Å; T65-N273 PolarHBondContact O-ND2 2.98Å; C106-N273 PolarHBondContact O-ND2 3.02Å; C106-N273 VanDerWaalsContact O-ND2 3.1Å; H107-N273 VanDerWaalsContact CA-OD1 3.27Å; H107-N273 WeakPolarHBondContact CA-OD1 3.47Å; H107-N273 PolarHBondContact ND1-O 2.88Å; W108-N273 WeakPolarHBondContact CZ3-ND2 3.42Å; W108-N273 PolarHBondContact N-OD1 2.66Å; W108-N273 PolarHBondContact O-N 3.15Å; W108-N273 PolarHBondContact O-OD1 2.95Å
274	I	94.1	Very high	93.8	Very high	45 Å²	45	77 Å²	77	23%	0.231	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-93.3	147.3	-179.8	83.1	-164.6	0	0	0	111.5	H107 N114 G115 E117 N272	H107-I274 HydrophobicContact CB-CG2 4.23Å; N114-I274 VanDerWaalsContact O-CD1 3.26Å; N114-I274 WeakPolarHBondContact O-CD1 3.31Å; G115-I274 VanDerWaalsContact O-CG2 3.31Å; G115-I274 WeakPolarHBondContact O-CG2 3.49Å; E117-I274 HydrophobicContact CG-CB 4.11Å; N272-I274 WeakPolarHBondContact OD1-CG1 3.12Å; N272-I274 PolarHBondContact OD1-N 3.07Å
275	R	95.1	Very high	94.3	Very high	9 Å²	9	68.1 Å²	68.1	3%	0.034	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-90	140	163.3	-168.1	-166.3	-175.2	170.8	1.2	109.3	P12 W15 A22 S28 P29 E117 L224 T225	P12-R275 HydrophobicContact CB-CG 4.32Å; W15-R275 HydrophobicContact CH2-CB 4.37Å; W15-R275 HydrophobicContact CH2-CG 4.23Å; W15-R275 HydrophobicContact CZ3-CB 4.35Å; W15-R275 HydrophobicContact CZ3-CG 3.78Å; A22-R275 PolarHBondContact O-NH2 3Å; S28-R275 VanDerWaalsContact O-CD 3.22Å; S28-R275 WeakPolarHBondContact O-CD 3.42Å; S28-R275 PolarHBondContact O-NH1 3.42Å; P29-R275 WeakPolarHBondContact CG-O 3.49Å; E117-R275 WeakPolarHBondContact OE1-CB 3.41Å; E117-R275 PolarHBondContact OE1-N 3.03Å; L224-R275 PolarHBondContact O-NH1 2.99Å; T225-R275 WeakPolarHBondContact O-CD 3.11Å
276	S	94.8	Very high	94.9	Very high	82 Å²	82	61.4 Å²	61.4	57%	0.573	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-60.7	149.1	173.2	-49.7	0	0	0	0	112	Q278	S276-Q278 PolarHBondContact O-N 2.74Å; S276-Q278 PolarHBondContact O-NE2 2.84Å
277	V	97.2	Very high	95.4	Very high	62 Å²	62	56.5 Å²	56.5	38%	0.376	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-50.5	134.4	170.6	170.3	0	0	0	0	111.3	D31 V119	D31-V277 HydrophobicContact CB-CG1 4.04Å; V119-V277 HydrophobicContact CG1-CG2 4.27Å; V119-V277 HydrophobicContact CG2-CG2 3.73Å
278	Q	97.6	Very high	95.7	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.187	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-103.6	153.2	178.7	-54.8	-64.1	-67	0	0	110.1	Q27 P29 S276 L280	Q27-Q278 HydrophobicContact CB-CB 3.79Å; Q27-Q278 HydrophobicContact CB-CG 3.77Å; P29-Q278 WeakPolarHBondContact O-CB 3.5Å; P29-Q278 PolarHBondContact O-N 3.02Å; S276-Q278 PolarHBondContact O-N 2.74Å; S276-Q278 PolarHBondContact O-NE2 2.84Å; Q278-L280 PolarHBondContact O-N 3.3Å
279	P	97.2	Very high	95.7	Very high	83 Å²	83	51.4 Å²	51.4	54%	0.539	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-57.3	135.3	177.7	-25.5	35.1	0	0	0	112.5	N281 R283	P279-N281 PolarHBondContact O-N 2.89Å; P279-N281 PolarHBondContact O-ND2 2.86Å; P279-R283 PolarHBondContact O-NH2 3.41Å
280	L	96.8	Very high	95.5	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.267	29%	0.292	S	S	.	.			trans	-61.3	-31.6	173.9	-177.1	62.2	0	0	0	111.7	I30 Q278 R283 V285	I30-L280 HydrophobicContact CD1-CD1 3.73Å; Q278-L280 PolarHBondContact O-N 3.3Å; L280-R283 HydrophobicContact CD1-CB 4Å; L280-R283 HydrophobicContact CG-CB 4.48Å; L280-R283 WeakPolarHBondContact O-CB 3.37Å; L280-R283 PolarHBondContact O-N 3.3Å; L280-R283 PolarHBondContact O-NE 3.41Å; L280-V285 HydrophobicContact CD1-CG2 3.91Å
281	N	96.2	Very high	94.6	Very high	81 Å²	81	56.1 Å²	56.1	43%	0.433	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-137.9	-172.3	-60.1	-48.9	0	0	0	110.5	N25 P279 R283	N25-N281 VanDerWaalsContact C-ND2 3.35Å; N25-N281 WeakPolarHBondContact CA-ND2 3.41Å; N25-N281 WeakPolarHBondContact O-CB 3.3Å; N25-N281 PolarHBondContact O-ND2 3.09Å; P279-N281 PolarHBondContact O-N 2.89Å; P279-N281 PolarHBondContact O-ND2 2.86Å; N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 2.77Å
282	S	94.8	Very high	93.1	Very high	129 Å²	129	55.9 Å²	55.9	90%	0.902	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	17.7	-178	-51.8	0	0	0	0	114
283	R	97.2	Very high	91.2	Very high	29 Å²	29	54 Å²	54	11%	0.109	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-80.3	146.6	-178.6	-69	177.4	-74.9	178.8	-1.7	111.7	R26 Q27 I30 E221 P279 L280 N281	R26-R283 VanDerWaalsContact C-NH1 3.26Å; R26-R283 HydrophobicContact CG-CG 4.15Å; R26-R283 PolarHBondContact O-NH1 2.87Å; Q27-R283 VanDerWaalsContact O-CZ 3.29Å; Q27-R283 PolarHBondContact O-NH1 2.99Å; Q27-R283 PolarHBondContact O-NH2 2.98Å; I30-R283 VanDerWaalsContact CG2-NH2 3.32Å; E221-R283 WeakPolarHBondContact O-CD 3.4Å; E221-R283 PolarHBondContact O-NH1 3.27Å; P279-R283 PolarHBondContact O-NH2 3.41Å; L280-R283 HydrophobicContact CD1-CB 4Å; L280-R283 HydrophobicContact CG-CB 4.48Å; L280-R283 WeakPolarHBondContact O-CB 3.37Å; L280-R283 PolarHBondContact O-N 3.3Å; L280-R283 PolarHBondContact O-NE 3.41Å; N281-R283 VanDerWaalsContact C-N 3.3Å; N281-R283 PolarHBondContact O-N 2.77Å
284	T	96.5	Very high	88.5	Confident	68 Å²	68	59.1 Å²	59.1	42%	0.417	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-96.4	131	168.3	-64.5	0	0	0	0	109.7	Q38 R286	Q38-T284 HydrophobicContact CB-CG2 4.06Å; Q38-T284 VanDerWaalsContact CD-CG2 3.43Å; Q38-T284 HydrophobicContact CG-CG2 3.85Å; T284-R286 HydrophobicContact CG2-CG 4.24Å
285	V	98.3	Very high	86	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-92.1	122.2	163.7	-177.2	0	0	0	0	107.9	I30 I32 A37 Q38 W218 L280	I30-V285 HydrophobicContact CD1-CG2 3.61Å; I32-V285 HydrophobicContact CG2-CG1 4.18Å; A37-V285 WeakPolarHBondContact CA-O 3.45Å; A37-V285 HydrophobicContact CB-CB 4.46Å; A37-V285 HydrophobicContact CB-CG1 4.34Å; Q38-V285 PolarHBondContact N-O 2.87Å; W218-V285 HydrophobicContact CB-CG1 3.73Å; W218-V285 HydrophobicContact CG-CG1 4.03Å; L280-V285 HydrophobicContact CD1-CG2 3.91Å
286	R	98	Very high	83.3	Confident	72 Å²	72	64.8 Å²	64.8	27%	0.272	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.8	174.7	-58.4	-175.2	-63.2	143.1	-1.4	109.5	Q38 D40 L43 W218 T219 T284	Q38-R286 CarbonylContact O-C 3.52Å; Q38-R286 VanDerWaalsContact O-CA 3.31Å; Q38-R286 WeakPolarHBondContact O-CA 3.41Å; D40-R286 HydrophobicContact CB-CB 4.2Å; D40-R286 WeakPolarHBondContact OD2-CD 3.35Å; D40-R286 IonicContact OD2-CZ 3.78Å; D40-R286 IonicContact OD2-NE 3.84Å; D40-R286 IonicContact OD2-NH1 3.71Å; D40-R286 PolarHBondContact OD2-NH1 3.22Å; L43-R286 HydrophobicContact CD1-CB 3.97Å; W218-R286 CarbonylContact C-O 3.59Å; W218-R286 VanDerWaalsContact CA-O 3.24Å; W218-R286 WeakPolarHBondContact CA-O 3.39Å; T219-R286 HydrophobicContact CG2-CB 4.06Å; T219-R286 PolarHBondContact N-O 2.87Å; T219-R286 PolarHBondContact O-N 2.99Å; T284-R286 HydrophobicContact CG2-CG 4.24Å
287	A	97.9	Very high	80.5	Confident	3 Å²	3	75.6 Å²	75.6	3%	0.025	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	179.2	0	0	0	0	0	110.6	A37 Q38 F39 D40 F289	A37-A287 HydrophobicContact CB-CB 4.1Å; Q38-A287 PolarHBondContact O-N 3.01Å; F39-A287 WeakPolarHBondContact CA-O 2.97Å; D40-A287 PolarHBondContact N-O 3.03Å; A287-F289 HydrophobicContact CB-CD1 4.42Å; A287-F289 HydrophobicContact CB-CE1 4.34Å; A287-F289 PolarHBondContact O-N 3.04Å
288	S	96.9	Very high	79.7	Confident	15 Å²	15	76.3 Å²	76.3	11%	0.105	43%	0.429	C	S	.	.	S	Bend	trans	-77.8	-2.8	176	73.2	0	0	0	0	113.8	G44 E216 F217	G44-S288 VanDerWaalsContact O-CB 3.3Å; G44-S288 WeakPolarHBondContact O-CB 3.29Å; E216-S288 WeakPolarHBondContact CA-OG 3.36Å; F217-S288 PolarHBondContact N-OG 2.84Å; F217-S288 PolarHBondContact O-N 3.37Å; F217-S288 PolarHBondContact O-OG 3.26Å
289	F	93.5	Very high	78.7	Confident	16 Å²	16	78.2 Å²	78.2	7%	0.07	44%	0.442	C	S	.	.	S	Bend	trans	-139	160.4	-175.2	58.8	-82.1	0	0	0	111	F39 E216 W218 R239 A287	F39-F289 VanDerWaalsContact CD2-O 3.28Å; F39-F289 WeakPolarHBondContact CD2-O 3.27Å; E216-F289 HydrophobicContact CB-CD1 3.59Å; E216-F289 HydrophobicContact CB-CE1 3.98Å; E216-F289 HydrophobicContact CB-CG 4.15Å; E216-F289 HydrophobicContact CG-CB 3.93Å; E216-F289 HydrophobicContact CG-CD1 3.97Å; E216-F289 HydrophobicContact CG-CG 4.07Å; E216-F289 WeakPolarHBondContact OE1-CB 3.5Å; W218-F289 HydrophobicContact CD2-CE1 4.26Å; W218-F289 HydrophobicContact CD2-CZ 4.11Å; W218-F289 AromaticContact CE2-CZ 3.42Å; W218-F289 VanDerWaalsContact CE2-CZ 3.42Å; W218-F289 HydrophobicContact CH2-CZ 4.04Å; W218-F289 HydrophobicContact CZ2-CE1 4.35Å; W218-F289 HydrophobicContact CZ2-CE2 4.21Å; W218-F289 AromaticContact CZ2-CZ 3.42Å; W218-F289 HydrophobicContact CZ2-CZ 3.42Å; W218-F289 VanDerWaalsContact CZ2-CZ 3.42Å; W218-F289 AromaticContact NE1-CZ 3.63Å; R239-F289 HydrophobicContact CB-CE1 4.23Å; R239-F289 HydrophobicContact CB-CZ 4.24Å; R239-F289 HydrophobicContact CG-CE1 4.5Å; R239-F289 HydrophobicContact CG-CZ 4.04Å; A287-F289 HydrophobicContact CB-CD1 4.42Å; A287-F289 HydrophobicContact CB-CE1 4.34Å; A287-F289 PolarHBondContact O-N 3.04Å
290	R	89.6	Confident	77.7	Confident	129 Å²	129	77.9 Å²	77.9	49%	0.487	44%	0.436	S	S	.	.			trans	-81.1	139.7	179.4	-66.6	-179	-178.3	-86.1	1.1	110.9	F39 G292	F39-R290 HydrophobicContact CB-CG 4.46Å; F39-R290 HydrophobicContact CD1-CG 3.8Å; F39-R290 HydrophobicContact CD2-CG 4.02Å; F39-R290 HydrophobicContact CE1-CG 3.98Å; F39-R290 VanDerWaalsContact CE1-CZ 3.5Å; F39-R290 HydrophobicContact CE2-CG 4.17Å; F39-R290 HydrophobicContact CG-CG 3.8Å; F39-R290 HydrophobicContact CZ-CG 4.15Å; R290-G292 PolarHBondContact O-N 2.9Å
291	A	73.3	Confident	76.6	Confident	70 Å²	70	79.5 Å²	79.5	58%	0.579	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	103.1	168.4	0	0	0	0	0	109.2	A34	A34-A291 WeakPolarHBondContact O-CB 3.32Å
292	G	64.3	Low	75.3	Confident	68 Å²	68	79.4 Å²	79.4	70%	0.701	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.5	0.3	-176.5	0	0	0	0	0	116.7	R290 L294	R290-G292 PolarHBondContact O-N 2.9Å; G292-L294 PolarHBondContact O-N 3.12Å
293	G	52.2	Low	74	Confident	42 Å²	42	76.1 Å²	76.1	43%	0.433	42%	0.417	S	S	.	.	S	Bend	trans	67.7	7.9	171.4	0	0	0	0	0	115.6	S295	G293-S295 PolarHBondContact O-N 3.25Å
294	L	36.8	Very low	72.4	Confident	138 Å²	138	79.4 Å²	79.4	72%	0.723	44%	0.439	S	S	*	.			trans	-87.4	95.1	169.3	-68.4	168.3	0	0	0	107.5	G292 V296	G292-L294 PolarHBondContact O-N 3.12Å; L294-V296 PolarHBondContact O-N 3.43Å; L294-V296 VanDerWaalsContact O-N 3.12Å
295	S	41.2	Very low	70.5	Confident	66 Å²	66	80.3 Å²	80.3	46%	0.462	44%	0.44	S	S	.	.			trans	-59.8	115.1	162.1	66.3	0	0	0	0	107.1	L209 G293	L209-S295 WeakPolarHBondContact CD1-OG 3.42Å; G293-S295 PolarHBondContact O-N 3.25Å
296	V	39.7	Very low	68.2	Low	106 Å²	106	86.2 Å²	86.2	64%	0.642	47%	0.472	S	S	*	.			trans	-87.3	120.5	174.8	-175.1	0	0	0	0	106.1	L294	L294-V296 PolarHBondContact O-N 3.43Å; L294-V296 VanDerWaalsContact O-N 3.12Å
297	R	35.2	Very low	65.5	Low	309 Å²	309	87.5 Å²	87.5	100%	1.166	49%	0.49	S	S	*	.			trans	-49	0	169.4	-68	-179.4	176.8	-170	-2.9	112.8

Retrieved 297 of 297 residues in 175.4 ms (Link to these results)

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