X5M233_HUMAN Loading...

HLA-B alpha-chain

AlphaFold DB , UniProt , Accession X5M233, Species HUMAN (Homo sapiens, Human), Gene HLA-B*4102, Length 362 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	46.8	Very low	241 Å²	241	135.9 Å²	135.9	100%	1.187	70%	0.702	S	S	*	*				0	109	0	-73.9	168	177.3	0	0	108
2	R	37.4	Very low	46.9	Very low	240 Å²	240	135.2 Å²	135.2	91%	0.906	70%	0.699	S	S	*	*			trans	-89.5	109.5	170.2	-92.8	-178.7	174	165.7	-1.9	106.8	T4	R2-T4 PolarHBondContact O-N 3.2Å
3	V	40	Very low	46.6	Very low	139 Å²	139	132.2 Å²	132.2	84%	0.842	68%	0.684	S	S	*	*			trans	-76.1	101.9	171.5	179.6	0	0	0	0	106.8	A5	V3-A5 PolarHBondContact O-N 3.4Å
4	T	47	Very low	46.5	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	67%	0.665	S	S	*	*			trans	-79	106.3	168.5	40.7	0	0	0	0	108.1	R2	R2-T4 PolarHBondContact O-N 3.2Å
5	A	47.3	Very low	46.4	Very low	59 Å²	59	121.9 Å²	121.9	49%	0.488	65%	0.648	S	S	.	*			trans	-63.2	142.9	168.9	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.4Å; A5-R7 PolarHBondContact O-N 3.43Å
6	P	53.7	Low	46.2	Very low	78 Å²	78	117.7 Å²	117.7	51%	0.506	64%	0.636	S	S	.	*			trans	-62.3	134.1	-179.8	-14.3	26.6	0	0	0	110.4	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.07Å; P6-V9 HydrophobicContact CB-CG2 4.13Å; P6-V9 HydrophobicContact CG-CG2 3.97Å; P6-V9 WeakPolarHBondContact O-CB 3.46Å; P6-V9 PolarHBondContact O-N 3.05Å; P6-L10 PolarHBondContact O-N 3.25Å
7	R	51.7	Low	45.7	Very low	224 Å²	224	117.2 Å²	117.2	85%	0.845	63%	0.632	S	S	*	*	H	α-helix	trans	-51	-31.5	179.2	-103.9	177.9	160.8	134.5	-5.5	113.5	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.43Å; R7-L10 PolarHBondContact O-N 2.91Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.99Å
8	T	51.3	Low	45.4	Very low	93 Å²	93	113.7 Å²	113.7	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-67.9	-37.9	175.8	37.7	0	0	0	0	113.3	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.07Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L11 PolarHBondContact O-N 2.98Å; T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 3.41Å
9	V	51.5	Low	45.1	Very low	66 Å²	66	112.5 Å²	112.5	40%	0.4	61%	0.614	S	S	.	*	H	α-helix	trans	-68.8	-37.8	175.4	177.7	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.13Å; P6-V9 HydrophobicContact CG-CG2 3.97Å; P6-V9 WeakPolarHBondContact O-CB 3.46Å; P6-V9 PolarHBondContact O-N 3.05Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 WeakPolarHBondContact O-CD1 3.43Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.62Å
10	L	47.7	Very low	44.8	Very low	109 Å²	109	111.5 Å²	111.5	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-66	-38	176.2	-140.5	87.8	0	0	0	112.2	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 3.25Å; R7-L10 PolarHBondContact O-N 2.91Å; T8-L10 VanDerWaalsContact C-N 3.35Å; L10-S14 PolarHBondContact O-N 3.05Å; L10-S14 PolarHBondContact O-OG 3.45Å
11	L	53.2	Low	44.3	Very low	118 Å²	118	113.9 Å²	113.9	62%	0.618	62%	0.618	S	S	*	*	H	α-helix	trans	-71.3	-40.5	177	-74.2	167.1	0	0	0	112.6	R7 T8 S14 A15	R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.99Å; T8-L11 PolarHBondContact O-N 2.98Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.91Å; L11-S14 PolarHBondContact O-OG 3.17Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.36Å
12	L	47.6	Very low	44.7	Very low	127 Å²	127	106.7 Å²	106.7	67%	0.665	59%	0.588	S	S	*	*	H	α-helix	trans	-67.4	-38.6	175.3	-74.1	166.6	0	0	0	112.1	T8 A16	T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 3.41Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.64Å
13	L	43.9	Very low	45.2	Very low	97 Å²	97	97.9 Å²	97.9	51%	0.508	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-37	173.8	-79	162.6	0	0	0	112.2	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 WeakPolarHBondContact O-CD1 3.43Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.62Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 2.86Å
14	S	44.1	Very low	45.8	Very low	60 Å²	60	94.2 Å²	94.2	42%	0.42	54%	0.54	S	S	.	.	H	α-helix	trans	-74.8	-33.2	177	34.7	0	0	0	0	112.8	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.05Å; L10-S14 PolarHBondContact O-OG 3.45Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.91Å; L11-S14 PolarHBondContact O-OG 3.17Å; S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 3.38Å
15	A	44.8	Very low	47.2	Very low	50 Å²	50	89.2 Å²	89.2	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-44.8	169	0	0	0	0	0	111.6	L11 A18 L19	L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.36Å; A15-A18 PolarHBondContact O-N 3.34Å; A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.24Å; A15-L19 PolarHBondContact O-N 2.85Å
16	A	44.2	Very low	49.3	Very low	54 Å²	54	89.5 Å²	89.5	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-40.4	176	0	0	0	0	0	112.5	L12 L19 T20	L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.64Å; A16-L19 PolarHBondContact O-N 2.91Å; A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.96Å; A16-T20 PolarHBondContact O-OG1 2.95Å; A16-T20 VanDerWaalsContact O-OG1 3.12Å
17	L	38.1	Very low	51.4	Low	110 Å²	110	87.2 Å²	87.2	58%	0.576	49%	0.494	S	S	*	.	H	α-helix	trans	-67.6	-42.7	177.2	-80.9	160.5	0	0	0	112.4	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 2.86Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.87Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 2.9Å; L17-T20 PolarHBondContact O-OG1 3.04Å; L17-E21 PolarHBondContact O-N 3.02Å
18	A	39.3	Very low	53.6	Low	54 Å²	54	77.8 Å²	77.8	45%	0.446	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-38.2	174.5	0	0	0	0	0	111.7	S14 A15 T22	S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 3.38Å; A15-A18 PolarHBondContact O-N 3.34Å; A18-T22 VanDerWaalsContact O-CG2 3.32Å; A18-T22 WeakPolarHBondContact O-CG2 3.24Å; A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 3.46Å
19	L	39	Very low	55.8	Low	91 Å²	91	73.3 Å²	73.3	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-72.7	-36.8	176.2	-92.2	129.3	0	0	0	113.1	A15 A16 L17 T22	A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.24Å; A15-L19 PolarHBondContact O-N 2.85Å; A16-L19 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.87Å; L19-T22 WeakPolarHBondContact CA-OG1 3.35Å; L19-T22 PolarHBondContact O-N 3.02Å; L19-T22 PolarHBondContact O-OG1 2.95Å
20	T	39.3	Very low	58.1	Low	91 Å²	91	72.7 Å²	72.7	56%	0.558	43%	0.425	S	S	*	.	H	α-helix	trans	-69.1	-31.2	174.8	51.7	0	0	0	0	113.1	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.96Å; A16-T20 PolarHBondContact O-OG1 2.95Å; A16-T20 VanDerWaalsContact O-OG1 3.12Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 2.9Å; L17-T20 PolarHBondContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	35.8	Very low	60.5	Low	162 Å²	162	68 Å²	68	76%	0.757	40%	0.4	S	S	*	.	H	α-helix	trans	-70.7	-29.4	172.4	-89.2	-173.4	154.5	0	0	112.4	L17 W23	L17-E21 PolarHBondContact O-N 3.02Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.75Å
22	T	42.8	Very low	62.7	Low	90 Å²	90	66.2 Å²	66.2	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-75.6	-16.4	-178.6	50.3	0	0	0	0	115.2	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.32Å; A18-T22 WeakPolarHBondContact O-CG2 3.24Å; A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 3.46Å; L19-T22 WeakPolarHBondContact CA-OG1 3.35Å; L19-T22 PolarHBondContact O-N 3.02Å; L19-T22 PolarHBondContact O-OG1 2.95Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	46.9	Very low	65.1	Low	55 Å²	55	60.5 Å²	60.5	21%	0.208	36%	0.357	C	S	.	.	H	α-helix	trans	-103.2	-23.8	-173.4	-83.6	66.6	0	0	0	113.9	E21 G25 E236 E288	E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.75Å; W23-G25 PolarHBondContact O-N 3.36Å; W23-E236 HydrophobicContact CH2-CB 4.19Å; W23-E236 HydrophobicContact CH2-CG 3.76Å; W23-E236 VanDerWaalsContact CH2-O 3.3Å; W23-E236 WeakPolarHBondContact CH2-O 3.42Å; W23-E236 HydrophobicContact CZ2-CG 3.87Å; W23-E236 HydrophobicContact CZ3-CG 4.43Å; W23-E288 HydrophobicContact CB-CG 4.29Å; W23-E288 HydrophobicContact CE3-CB 3.38Å; W23-E288 HydrophobicContact CE3-CG 3.91Å; W23-E288 HydrophobicContact CZ3-CB 3.78Å; W23-E288 WeakPolarHBondContact O-CG 3.24Å; W23-E288 VanDerWaalsContact O-OE1 3.07Å
24	A	53.7	Low	67.7	Low	63 Å²	63	57.6 Å²	57.6	52%	0.521	34%	0.344	S	S	.	.	S	Bend	trans	-90.9	101.8	-179.2	0	0	0	0	0	111.5	P129	A24-P129 VanDerWaalsContact O-CG 3.31Å; A24-P129 WeakPolarHBondContact O-CG 3.39Å
25	G	76.3	Confident	70.3	Confident	22 Å²	22	54.8 Å²	54.8	23%	0.227	32%	0.324	C	S	.	.	S	Bend	trans	95.8	18.8	155.3	0	0	0	0	0	117.9	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.36Å; G25-G128 CarbonylContact O-C 3.49Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å; G25-P129 WeakPolarHBondContact O-CG 3.36Å; G25-P129 VanDerWaalsContact O-N 3.12Å
26	S	91.4	Very high	72.9	Confident	65 Å²	65	55.3 Å²	55.3	46%	0.455	32%	0.319	S	S	.	.			trans	-87.9	140.7	163.5	62.6	0	0	0	0	110.7	V127	S26-V127 CarbonylContact C-O 3.55Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.19Å
27	H	96	Very high	75.4	Confident	31 Å²	31	53.7 Å²	53.7	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158.7	179.1	-66.1	-78.8	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 2.94Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 3Å; H27-D53 IonicContact ND1-OD1 3.48Å; H27-D53 IonicContact ND1-OD2 3.97Å; H27-D53 PolarHBondContact ND1-OD2 3.49Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.03Å; H27-V127 PolarHBondContact O-N 3.49Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å
28	S	97.9	Very high	78.1	Confident	25 Å²	25	52.1 Å²	52.1	18%	0.175	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.9	178.3	65.1	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; S28-D53 PolarHBondContact N-OD1 3.19Å; S28-D53 PolarHBondContact O-N 3.27Å; S28-D53 PolarHBondContact OG-OD1 3.17Å; S28-C125 CarbonylContact C-O 3.52Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å
29	M	98.6	Very high	80.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.5	166.2	-174.9	171.3	62.3	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.17Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 CarbonylContact C-O 3.4Å; M29-Y51 WeakPolarHBondContact CA-O 3.26Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.33Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.5Å; M29-C188 VanDerWaalsContact CE-SG 3.52Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	83	Confident	52 Å²	52	52.1 Å²	52.1	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.5	-176.9	-57.1	-62.4	-176.1	73.5	5	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; R30-Y51 PolarHBondContact N-O 3.04Å; R30-Y51 PolarHBondContact O-N 2.94Å; R30-D126 IonicContact CZ-OD1 3.23Å; R30-D126 IonicContact NE-OD1 2.79Å; R30-D126 PolarHBondContact NE-OD1 3.39Å; R30-D126 VanDerWaalsContact NE-OD1 3.11Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.59Å; R30-D126 PolarHBondContact NH2-OD1 2.78Å; R30-D126 IonicContact NH2-OD2 3.86Å; R30-D126 PolarHBondContact NH2-OD2 2.77Å; R30-H137 PolarHBondContact NH2-NE2 3.44Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å
31	Y	98.8	Very high	85.6	Confident	10 Å²	10	57.7 Å²	57.7	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.4	168.8	-70.1	-86.1	0	0	0	109.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.17Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 WeakPolarHBondContact CA-O 3.46Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.38Å; Y31-V58 HydrophobicContact CE1-CG2 3.88Å; Y31-M122 WeakPolarHBondContact O-CA 3.48Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.88Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.3Å; Y31-Y123 AromaticContact CG-CZ 3.84Å; Y31-Y123 PolarHBondContact N-O 2.7Å; Y31-Y123 PolarHBondContact O-N 2.86Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	88.2	Confident	82 Å²	82	52.7 Å²	52.7	36%	0.36	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.8	177.6	-58.4	-95.4	0	0	0	108.9	R30 T48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 3Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; F32-S121 WeakPolarHBondContact CA-O 3.33Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33	H	98.8	Very high	90.7	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.028	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.3	176.1	-61	169	0	0	0	109.6	F46 I47 T48 Y98 Q120 S121 Y123	H33-F46 HydrophobicContact CB-CE2 3.93Å; H33-F46 HydrophobicContact CB-CZ 4.15Å; H33-F46 AromaticContact CG-CZ 3.94Å; H33-I47 WeakPolarHBondContact CA-O 3.32Å; H33-T48 WeakPolarHBondContact CD2-CB 3.1Å; H33-T48 PolarHBondContact CD2-OG1 3.02Å; H33-T48 PolarHBondContact NE2-OG1 2.89Å; H33-T48 VanDerWaalsContact NE2-OG1 3.13Å; H33-Y98 HydrophobicContact CB-CE1 3.88Å; H33-Y98 AromaticContact ND1-CE2 3.84Å; H33-Y98 AromaticContact ND1-CZ 3.58Å; H33-Y98 PolarHBondContact ND1-OH 3.02Å; H33-Q120 CarbonylContact O-C 3.58Å; H33-Q120 WeakPolarHBondContact O-CA 3.29Å; H33-S121 WeakPolarHBondContact CB-OG 3.46Å; H33-S121 PolarHBondContact N-O 3.29Å; H33-S121 PolarHBondContact O-N 3.17Å; H33-Y123 AromaticContact CE1-CE1 3.31Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.49Å; H33-Y123 AromaticContact CE1-CZ 3.88Å; H33-Y123 AromaticContact ND1-CE1 3.87Å; H33-Y123 AromaticContact NE2-CE1 3.56Å; H33-Y123 PolarHBondContact NE2-OH 2.91Å
34	T	98.8	Very high	93	Very high	36 Å²	36	50.6 Å²	50.6	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.2	173.4	-58	0	0	0	0	109.1	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.39Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.28Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 2.84Å; T34-I47 PolarHBondContact O-N 3.41Å; T34-T118 HydrophobicContact CG2-CG2 3.98Å; T34-Q120 HydrophobicContact CG2-CG 4.18Å
35	A	98.6	Very high	95.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	171.5	0	0	0	0	0	109.9	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.5Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.15Å; A35-Y98 HydrophobicContact CB-CD1 3.72Å; A35-Y98 HydrophobicContact CB-CG 4.07Å; A35-L102 HydrophobicContact CB-CD1 3.84Å; A35-T118 CarbonylContact O-C 3.53Å; A35-T118 WeakPolarHBondContact O-CA 3.31Å; A35-L119 PolarHBondContact N-O 3.36Å; A35-L119 PolarHBondContact O-N 2.95Å
36	M	98.3	Very high	96.2	Very high	62 Å²	62	50.5 Å²	50.5	31%	0.305	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.9	-177.9	-64.8	166.8	-70.8	0	0	109.7	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.39Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.28Å; M36-P44 CarbonylContact O-C 3.5Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.32Å; M36-R45 HydrophobicContact CE-CB 4.4Å; M36-R45 HydrophobicContact CE-CG 4.42Å; M36-R45 PolarHBondContact N-O 2.86Å; M36-R45 PolarHBondContact O-N 3.49Å; M36-I47 HydrophobicContact CE-CD1 4.09Å; M36-T118 HydrophobicContact CG-CG2 3.98Å
37	S	97.3	Very high	96.6	Very high	20 Å²	20	49 Å²	49	14%	0.14	26%	0.264	C	S	.	.			trans	-72.6	144.3	173.1	76.3	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 2.89Å; S37-H117 PolarHBondContact N-O 2.74Å; S37-H117 PolarHBondContact OG-N 3.45Å; S37-H117 PolarHBondContact OG-O 3.25Å
38	R	95.2	Very high	96.7	Very high	77 Å²	77	47.5 Å²	47.5	29%	0.291	26%	0.257	S	S	.	.			trans	-136.5	73.7	-178.3	54.2	174.2	176.6	-159.6	-10.8	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.36Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.46Å; R38-R41 VanDerWaalsContact NE-O 3.13Å; R38-R41 PolarHBondContact O-N 2.8Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.03Å; R38-E43 PolarHBondContact NH2-O 3.49Å; R38-D63 IonicContact CZ-OD1 3.38Å; R38-D63 IonicContact CZ-OD2 3.59Å; R38-D63 IonicContact NH1-OD1 3.92Å; R38-D63 PolarHBondContact NH1-OD1 3.3Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.77Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.65Å
39	P	91.2	Very high	96.7	Very high	55 Å²	55	47.7 Å²	47.7	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	130.6	-177.3	-26.9	34.7	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.19Å; P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	G	90.2	Very high	96.7	Very high	89 Å²	89	47.7 Å²	47.7	92%	0.918	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	2	-178.3	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.36Å
41	R	92.6	Very high	96.7	Very high	208 Å²	208	48.8 Å²	48.8	79%	0.785	26%	0.262	S	S	*	.	S	Bend	trans	-124.2	23.7	-179.8	-59.5	-174.8	180	-178.7	0.5	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.46Å; R38-R41 VanDerWaalsContact NE-O 3.13Å; R38-R41 PolarHBondContact O-N 2.8Å; P39-R41 PolarHBondContact O-N 3.19Å
42	G	91.3	Very high	96.7	Very high	57 Å²	57	48.3 Å²	48.3	59%	0.588	26%	0.26	S	S	*	.	S	Bend	trans	97	-164.9	178.9	0	0	0	0	0	113.9
43	E	94.8	Very high	96.6	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	25%	0.251	S	S	.	.	S	Bend	trans	-69.2	154.4	-178.1	-70.7	-65.5	164.4	0	0	112.4	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.03Å; R38-E43 PolarHBondContact NH2-O 3.49Å; E43-R45 PolarHBondContact O-N 2.87Å; E43-R99 VanDerWaalsContact CD-CZ 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.24Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 VanDerWaalsContact OE2-CZ 3.27Å; E43-R99 IonicContact OE2-NE 3.33Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; E43-R99 IonicContact OE2-NH1 2.83Å; E43-R99 IonicContact OE2-NH2 3.62Å; E43-R103 IonicContact OE1-NH2 3.11Å; E43-R103 IonicContact OE2-NH2 2.71Å
44	P	96.6	Very high	96.5	Very high	20 Å²	20	48.5 Å²	48.5	13%	0.13	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-52.3	136	175	-26	34.8	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.5Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.17Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.98Å
45	R	98.1	Very high	96.4	Very high	81 Å²	81	47.5 Å²	47.5	31%	0.306	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.8	174	-176.7	-178.7	-175.9	178.8	-1.2	108.9	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.5Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; M36-R45 HydrophobicContact CE-CB 4.4Å; M36-R45 HydrophobicContact CE-CG 4.42Å; M36-R45 PolarHBondContact N-O 2.86Å; M36-R45 PolarHBondContact O-N 3.49Å; E43-R45 PolarHBondContact O-N 2.87Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 3.49Å; R45-D61 IonicContact NE-OD1 3.27Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 2.77Å; R45-D61 IonicContact NH2-OD1 3.83Å; R45-D61 PolarHBondContact NH2-OD1 2.98Å; R45-D61 IonicContact NH2-OD2 2.77Å; R45-D61 PolarHBondContact NH2-OD2 2.81Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.33Å; R45-D63 IonicContact NE-OD2 2.91Å
46	F	98.6	Very high	96.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.7	176.5	179.2	-100.3	0	0	0	110.3	H33 T34 A35 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.93Å; H33-F46 HydrophobicContact CB-CZ 4.15Å; H33-F46 AromaticContact CG-CZ 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.15Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.24Å; F46-F60 HydrophobicContact CD1-CD1 4.01Å; F46-F60 AromaticContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; F46-S62 PolarHBondContact N-OG 2.87Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.19Å; F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.65Å; F46-T95 HydrophobicContact CB-CG2 3.93Å; F46-T95 VanDerWaalsContact CD1-OG1 3.23Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.15Å; F46-Y98 HydrophobicContact CD2-CD1 4.39Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 HydrophobicContact CD2-CG 4.02Å; F46-Y98 HydrophobicContact CE2-CD1 4.08Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.35Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.76Å; F46-Y98 HydrophobicContact CE2-CG 3.76Å
47	I	98.8	Very high	96.3	Very high	33 Å²	33	46.8 Å²	46.8	17%	0.169	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.4	175.8	-56.3	175	0	0	0	107.7	H33 T34 M36 R45 F60	H33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 2.84Å; T34-I47 PolarHBondContact O-N 3.41Å; M36-I47 HydrophobicContact CE-CD1 4.09Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å
48	T	98.8	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.9	169.1	167.8	0	0	0	0	110.1	F32 H33 F46 R59 F60 K69	F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.25Å; H33-T48 WeakPolarHBondContact CD2-CB 3.1Å; H33-T48 PolarHBondContact CD2-OG1 3.02Å; H33-T48 PolarHBondContact NE2-OG1 2.89Å; H33-T48 VanDerWaalsContact NE2-OG1 3.13Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.24Å; T48-R59 CarbonylContact O-C 3.55Å; T48-R59 WeakPolarHBondContact O-CA 3.42Å; T48-F60 HydrophobicContact CG2-CB 3.59Å; T48-F60 HydrophobicContact CG2-CD1 4.22Å; T48-F60 HydrophobicContact CG2-CG 4.23Å; T48-F60 PolarHBondContact N-O 3.07Å; T48-F60 PolarHBondContact O-N 3.49Å; T48-K69 PolarHBondContact OG1-NZ 3.11Å
49	V	98.9	Very high	96.5	Very high	29 Å²	29	46.1 Å²	46.1	18%	0.176	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.6	173.6	-67.8	0	0	0	0	109.6	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.46Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 3Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; V49-L56 HydrophobicContact CB-CD1 3.7Å; V49-L56 HydrophobicContact CG1-CD1 4.02Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.15Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.1	176.2	0	0	0	0	0	110.4	R30 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; G50-F57 WeakPolarHBondContact O-CD1 3.25Å; G50-F57 PolarHBondContact O-N 3.12Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 3.27Å
51	Y	98.6	Very high	97.3	Very high	75 Å²	75	40.3 Å²	40.3	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.4	177.7	-77.6	-101.6	0	0	0	110.3	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.4Å; M29-Y51 WeakPolarHBondContact CA-O 3.26Å; R30-Y51 PolarHBondContact N-O 3.04Å; R30-Y51 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-T55 WeakPolarHBondContact CA-O 3.37Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.45Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.3	156.4	176.7	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 2.87Å; V52-T55 PolarHBondContact N-O 3.3Å; V52-T55 WeakPolarHBondContact O-CA 3.34Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.43Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	96.3	Very high	97.8	Very high	30 Å²	30	32.1 Å²	32.1	16%	0.16	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-126.4	-166	-53.4	-40.2	0	0	0	110.1	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 2.94Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 3Å; H27-D53 IonicContact ND1-OD1 3.48Å; H27-D53 IonicContact ND1-OD2 3.97Å; H27-D53 PolarHBondContact ND1-OD2 3.49Å; S28-D53 PolarHBondContact N-OD1 3.19Å; S28-D53 PolarHBondContact O-N 3.27Å; S28-D53 PolarHBondContact OG-OD1 3.17Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 2.94Å
54	D	96.1	Very high	97.9	Very high	61 Å²	61	30 Å²	30	33%	0.326	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.5	177.4	-60.7	-56.8	0	0	0	114.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.87Å; D54-Y233 HydrophobicContact CB-CE2 3.88Å; D54-P234 VanDerWaalsContact OD2-CB 3.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.03Å; D54-A235 PolarHBondContact OD2-N 2.89Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	96.7	Very high	97.9	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.1	-177.2	-58.6	0	0	0	0	112	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.37Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.3Å; V52-T55 WeakPolarHBondContact O-CA 3.34Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.43Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 2.94Å; T55-F57 PolarHBondContact O-N 3.4Å; T55-A73 HydrophobicContact CG2-CB 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; T55-Y233 PolarHBondContact OG1-OH 2.61Å
56	L	97.8	Very high	97.8	Very high	49 Å²	49	36.1 Å²	36.1	26%	0.257	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.9	172.4	177.9	70.2	0	0	0	110.1	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.7Å; V49-L56 HydrophobicContact CG1-CD1 4.02Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.45Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å; L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.89Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.04Å; L56-R72 CarbonylContact O-C 3.49Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-23.7	-179.2	77.7	-84	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.38Å; G50-F57 WeakPolarHBondContact O-CD1 3.25Å; G50-F57 PolarHBondContact O-N 3.12Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.4Å; F57-R72 PolarHBondContact O-N 2.73Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CZ3 4.01Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.38Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.38Å; F57-Y195 HydrophobicContact CE2-CD2 4.23Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å
58	V	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.2	177.1	-74	0	0	0	0	112.9	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.88Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 3.27Å; V58-K69 HydrophobicContact CB-CD 4.22Å; V58-K69 HydrophobicContact CB-CG 4.22Å; V58-K69 HydrophobicContact CG1-CG 4.31Å; V58-K69 VanDerWaalsContact CG2-CE 3.49Å; V58-E70 VanDerWaalsContact CA-O 3.3Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.6	Very high	97.7	Very high	82 Å²	82	43.6 Å²	43.6	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.5	173.9	178.2	178	173.1	128.4	2.1	111.1	T48 V49 D61 E70 R72	T48-R59 CarbonylContact O-C 3.55Å; T48-R59 WeakPolarHBondContact O-CA 3.42Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.15Å; R59-D61 IonicContact NH2-OD2 2.96Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; R59-E70 PolarHBondContact N-O 3.27Å; R59-E70 PolarHBondContact O-N 2.96Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	97.7	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.8	162.8	170.4	-77.5	0	0	0	108.9	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4.01Å; F46-F60 AromaticContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CD1-CE1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å; T48-F60 HydrophobicContact CG2-CB 3.59Å; T48-F60 HydrophobicContact CG2-CD1 4.22Å; T48-F60 HydrophobicContact CG2-CG 4.23Å; T48-F60 PolarHBondContact N-O 3.07Å; T48-F60 PolarHBondContact O-N 3.49Å; F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.42Å; F60-K69 HydrophobicContact CB-CD 3.98Å; F60-S91 VanDerWaalsContact CD2-CB 3.44Å; F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.16Å
61	D	98.6	Very high	97.6	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.1	178.4	-161.9	-30.8	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 3.49Å; R45-D61 IonicContact NE-OD1 3.27Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 2.77Å; R45-D61 IonicContact NH2-OD1 3.83Å; R45-D61 PolarHBondContact NH2-OD1 2.98Å; R45-D61 IonicContact NH2-OD2 2.77Å; R45-D61 PolarHBondContact NH2-OD2 2.81Å; R59-D61 IonicContact NH2-OD2 2.96Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 2.79Å; D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.92Å
62	S	98.1	Very high	97.6	Very high	26 Å²	26	49.9 Å²	49.9	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.5	-177.9	69.2	0	0	0	0	113.4	F46	F46-S62 PolarHBondContact N-OG 2.87Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.19Å
63	D	97.1	Very high	97.5	Very high	68 Å²	68	50.1 Å²	50.1	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	179.6	-81.3	4.1	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.38Å; R38-D63 IonicContact CZ-OD2 3.59Å; R38-D63 IonicContact NH1-OD1 3.92Å; R38-D63 PolarHBondContact NH1-OD1 3.3Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.77Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.65Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.33Å; R45-D63 IonicContact NE-OD2 2.91Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 2.79Å
64	A	96.7	Very high	97.5	Very high	36 Å²	36	53.7 Å²	53.7	30%	0.298	29%	0.288	S	S	.	.	S	Bend	trans	-63.4	149.7	173.9	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.92Å; A64-S66 PolarHBondContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.16Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å
65	T	95.8	Very high	97.5	Very high	158 Å²	158	51.6 Å²	51.6	97%	0.969	28%	0.276	S	S	*	.	S	Bend	trans	-57.1	-33.9	178.8	-50.8	0	0	0	0	112.7
66	S	96.1	Very high	97.5	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	27%	0.271	S	S	.	.	S	Bend	trans	-134.2	85.6	174.5	-175.3	0	0	0	0	108.8	A64 R68	A64-S66 PolarHBondContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.68Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.1	Very high	97.5	Very high	35 Å²	35	54.6 Å²	54.6	23%	0.227	29%	0.287	C	S	.	.			trans	-62.5	113.2	-174.2	-24.2	35.1	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; A64-P67 WeakPolarHBondContact O-CD 3.16Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å
68	R	98.1	Very high	97.3	Very high	144 Å²	144	60.4 Å²	60.4	54%	0.543	31%	0.314	S	S	.	.			trans	-140.7	158.1	176.9	-64.8	-170.9	179.6	-155.1	-2.7	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.42Å; S66-R68 PolarHBondContact O-N 2.68Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-E70 PolarHBondContact O-N 3.05Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.23Å
69	K	98.4	Very high	97.3	Very high	12 Å²	12	61 Å²	61	5%	0.052	32%	0.317	C	S	.	.			trans	-73.4	123.6	168.8	-163.5	75.1	154.4	-177.6	0	107.2	T48 V58 F60 W84 E87 T88	T48-K69 PolarHBondContact OG1-NZ 3.11Å; V58-K69 HydrophobicContact CB-CD 4.22Å; V58-K69 HydrophobicContact CB-CG 4.22Å; V58-K69 HydrophobicContact CG1-CG 4.31Å; V58-K69 VanDerWaalsContact CG2-CE 3.49Å; F60-K69 HydrophobicContact CB-CD 3.98Å; K69-W84 HydrophobicContact CB-CE3 4.29Å; K69-W84 HydrophobicContact CG-CE3 4.43Å; K69-W84 HydrophobicContact CG-CZ3 4.22Å; K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CG-CB 3.86Å; K69-T88 PolarHBondContact N-OG1 2.84Å
70	E	98.3	Very high	97.2	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.6	-173.8	-65.5	173.3	164	0	0	110.3	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.3Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 3.27Å; R59-E70 PolarHBondContact O-N 2.96Å; R68-E70 PolarHBondContact O-N 3.05Å; E70-R72 IonicContact OE2-CZ 2.71Å; E70-R72 IonicContact OE2-NH2 3.42Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
71	P	98.3	Very high	97.1	Very high	46 Å²	46	63.3 Å²	63.3	30%	0.299	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147.2	172.4	29.1	-34.1	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.64Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.93Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å
72	R	97.6	Very high	97.1	Very high	121 Å²	121	70.4 Å²	70.4	46%	0.457	38%	0.382	S	S	.	.			trans	-132.1	-1.1	175.1	-61.5	-64.4	172.2	-167	1.8	113.4	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.89Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.04Å; L56-R72 CarbonylContact O-C 3.49Å; F57-R72 PolarHBondContact O-N 2.73Å; R59-R72 HydrophobicContact CB-CG 3.97Å; E70-R72 IonicContact OE2-CZ 2.71Å; E70-R72 IonicContact OE2-NH2 3.42Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
73	A	96.1	Very high	97.1	Very high	5 Å²	5	69.6 Å²	69.6	4%	0.041	38%	0.375	C	S	.	.	S	Bend	trans	-134.5	144.9	172.6	0	0	0	0	0	110.3	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.48Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.93Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.82Å
74	P	96.3	Very high	97.2	Very high	105 Å²	105	68.3 Å²	68.3	68%	0.682	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-59.3	-38.2	-177.4	-26.3	35	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.07Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 2.92Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	96.1	Very high	97.2	Very high	18 Å²	18	71.4 Å²	71.4	7%	0.068	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-69.5	-14.6	-176	53.6	-107.1	0	0	0	114.3	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CZ3 4.01Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.93Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.47Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.23Å; W75-L203 HydrophobicContact CZ2-CG 4.47Å
76	I	97.7	Very high	97.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-88.8	-19.3	173.7	-163.4	71.3	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.38Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.38Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; P71-I76 HydrophobicContact CB-CG2 3.64Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.82Å; P74-I76 PolarHBondContact O-N 3.07Å; I76-Q78 PolarHBondContact O-N 3.25Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.49Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 3.48Å; I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.05Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.36Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.26Å
77	E	96.4	Very high	97.5	Very high	126 Å²	126	66.9 Å²	66.9	59%	0.589	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.5	-176.3	-65.1	-178.2	-176.1	0	0	113.1	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 2.92Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.45Å
78	Q	95.6	Very high	97.5	Very high	123 Å²	123	65.8 Å²	65.8	58%	0.575	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.9	176.2	69	-177.5	13.1	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; I76-Q78 PolarHBondContact O-N 3.25Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; Q78-N198 PolarHBondContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 3.28Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.07Å
79	E	97.4	Very high	97.6	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.056	32%	0.323	C	S	.	.	S	Bend	trans	-64.7	138.3	175.4	-67	-61.2	162.1	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.49Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 3.48Å; E77-E79 PolarHBondContact O-N 3.45Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.23Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 3.06Å; E79-R194 IonicContact OE1-CZ 3.7Å; E79-R194 IonicContact OE1-NE 3.28Å; E79-R194 PolarHBondContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH2 3.27Å; E79-R194 PolarHBondContact OE1-NH2 3.49Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.33Å; E79-R194 IonicContact OE2-NH2 3.57Å; E79-R194 PolarHBondContact OE2-NH2 3.14Å; E79-N198 PolarHBondContact OE1-ND2 3.49Å
80	G	96.9	Very high	97.5	Very high	35 Å²	35	66.9 Å²	66.9	36%	0.361	34%	0.337	S	S	.	.			trans	-70	168	-175.1	0	0	0	0	0	114.1	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.36Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 2.99Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 VanDerWaalsContact O-CD1 3.3Å; G80-W84 PolarHBondContact O-N 2.79Å
81	P	97.6	Very high	97.6	Very high	98 Å²	98	63.8 Å²	63.8	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-57.7	-34.1	-179	23.1	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3Å; P81-W84 PolarHBondContact O-N 2.7Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 3.08Å
82	E	97.9	Very high	97.6	Very high	169 Å²	169	66 Å²	66	79%	0.79	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-37.6	177.7	-63.5	-179.2	179.1	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 3.36Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.71Å
83	Y	98	Very high	97.6	Very high	8 Å²	8	63.4 Å²	63.4	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-52.3	174.6	170.9	-94.7	0	0	0	110	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.23Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 2.99Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.93Å; Y83-R86 PolarHBondContact O-N 3.25Å; Y83-E87 HydrophobicContact CD1-CG 4.28Å; Y83-E87 HydrophobicContact CD2-CG 4Å; Y83-E87 HydrophobicContact CE1-CG 3.94Å; Y83-E87 HydrophobicContact CE2-CG 3.62Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 2.72Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.38Å; Y83-W191 AromaticContact CE2-CH2 4Å; Y83-W191 HydrophobicContact CE2-CH2 4Å; Y83-W191 AromaticContact CE2-CZ3 3.9Å; Y83-W191 HydrophobicContact CE2-CZ3 3.9Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.26Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å
84	W	98.4	Very high	97.7	Very high	41 Å²	41	64.8 Å²	64.8	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-39.4	-177.7	-65.7	113.4	0	0	0	113.3	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; K69-W84 HydrophobicContact CB-CE3 4.29Å; K69-W84 HydrophobicContact CG-CE3 4.43Å; K69-W84 HydrophobicContact CG-CZ3 4.22Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.93Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.05Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.36Å; E79-W84 PolarHBondContact O-NE1 3.06Å; G80-W84 VanDerWaalsContact O-CD1 3.3Å; G80-W84 PolarHBondContact O-N 2.79Å; P81-W84 PolarHBondContact O-N 2.7Å; W84-T88 WeakPolarHBondContact O-CB 3.1Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 2.75Å
85	D	98.3	Very high	97.8	Very high	102 Å²	102	60.4 Å²	60.4	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.4	-75.2	-21.8	0	0	0	111.1	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 3.08Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.93Å; D85-T88 PolarHBondContact O-N 2.81Å; D85-Q89 WeakPolarHBondContact O-CB 3.33Å; D85-Q89 PolarHBondContact O-N 3.34Å
86	R	98.1	Very high	97.9	Very high	114 Å²	114	63.6 Å²	63.6	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-51	176.5	-172.3	-176.1	70.5	-156.6	-1.8	111.8	E82 Y83 T88 Q89 I90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.71Å; Y83-R86 PolarHBondContact O-N 3.25Å; R86-T88 VanDerWaalsContact C-N 3.28Å; R86-T88 PolarHBondContact O-N 2.8Å; R86-Q89 PolarHBondContact O-N 3.18Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.49Å; R86-I90 PolarHBondContact O-N 2.69Å
87	E	98.4	Very high	97.9	Very high	22 Å²	22	66.7 Å²	66.7	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-33.2	-179	-64.5	-46.4	126.2	0	0	112.3	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CG-CB 3.86Å; Y83-E87 HydrophobicContact CD1-CG 4.28Å; Y83-E87 HydrophobicContact CD2-CG 4Å; Y83-E87 HydrophobicContact CE1-CG 3.94Å; Y83-E87 HydrophobicContact CE2-CG 3.62Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 2.72Å; E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 2.95Å; E87-S91 PolarHBondContact O-OG 2.97Å
88	T	98.6	Very high	98	Very high	11 Å²	11	61.2 Å²	61.2	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-45.3	171.6	-66.8	0	0	0	0	111.1	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.23Å; K69-T88 PolarHBondContact N-OG1 2.84Å; W84-T88 WeakPolarHBondContact O-CB 3.1Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 2.75Å; D85-T88 PolarHBondContact O-N 2.81Å; R86-T88 VanDerWaalsContact C-N 3.28Å; R86-T88 PolarHBondContact O-N 2.8Å; T88-S91 PolarHBondContact O-N 2.63Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.28Å
89	Q	98.4	Very high	98.1	Very high	113 Å²	113	57.6 Å²	57.6	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-39.5	179.7	-173.1	58.7	22.7	0	0	112	D85 R86 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.33Å; D85-Q89 PolarHBondContact O-N 3.34Å; R86-Q89 PolarHBondContact O-N 3.18Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-T93 WeakPolarHBondContact O-CB 3.17Å; Q89-T93 PolarHBondContact O-N 2.89Å; Q89-T93 PolarHBondContact O-OG1 3.41Å
90	I	98.1	Very high	98.1	Very high	67 Å²	67	62.5 Å²	62.5	34%	0.344	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-48.2	171.8	-69.1	166.6	0	0	0	109.9	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.49Å; R86-I90 PolarHBondContact O-N 2.69Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 2.8Å; I90-T93 PolarHBondContact O-N 2.89Å; I90-T93 VanDerWaalsContact O-N 3.16Å; I90-N94 WeakPolarHBondContact O-CB 3.49Å; I90-N94 PolarHBondContact O-N 2.97Å
91	S	98.4	Very high	98.1	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-37.9	-179.9	-58.2	0	0	0	0	112.8	F60 E87 T88 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.44Å; E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 2.95Å; E87-S91 PolarHBondContact O-OG 2.97Å; T88-S91 PolarHBondContact O-N 2.63Å; S91-N94 PolarHBondContact O-N 3.3Å; S91-T95 PolarHBondContact O-N 3.45Å; S91-T95 PolarHBondContact O-OG1 2.89Å
92	K	98.2	Very high	98.2	Very high	92 Å²	92	58.4 Å²	58.4	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-39.9	173.6	-74	176.6	177.6	177.2	0	112.4	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.16Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.28Å; Q89-K92 PolarHBondContact O-N 2.81Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 2.8Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 2.82Å; K92-Q96 PolarHBondContact O-N 3.19Å
93	T	98.4	Very high	98.1	Very high	68 Å²	68	56.5 Å²	56.5	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-43	175.8	-55.7	0	0	0	0	110.9	Q89 I90 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.17Å; Q89-T93 PolarHBondContact O-N 2.89Å; Q89-T93 PolarHBondContact O-OG1 3.41Å; I90-T93 PolarHBondContact O-N 2.89Å; I90-T93 VanDerWaalsContact O-N 3.16Å; T93-T95 VanDerWaalsContact C-N 3.31Å; T93-T95 PolarHBondContact O-N 2.8Å; T93-Q96 PolarHBondContact O-N 3.24Å; T93-Q96 VanDerWaalsContact O-N 3.17Å; T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.18Å
94	N	98.2	Very high	98	Very high	34 Å²	34	60.2 Å²	60.2	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-38.1	174.3	-71.9	-15.3	0	0	0	111.7	F46 I90 S91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.65Å; I90-N94 WeakPolarHBondContact O-CB 3.49Å; I90-N94 PolarHBondContact O-N 2.97Å; S91-N94 PolarHBondContact O-N 3.3Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.79Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.16Å; N94-Y98 HydrophobicContact CB-CD2 4.4Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 WeakPolarHBondContact O-CD2 3.48Å; N94-Y98 PolarHBondContact O-N 3.04Å
95	T	98.3	Very high	98	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-41.5	174.7	-58.2	0	0	0	0	111.9	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.93Å; F46-T95 VanDerWaalsContact CD1-OG1 3.23Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.15Å; S91-T95 PolarHBondContact O-N 3.45Å; S91-T95 PolarHBondContact O-OG1 2.89Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 2.82Å; T93-T95 VanDerWaalsContact C-N 3.31Å; T93-T95 PolarHBondContact O-N 2.8Å; T95-R99 WeakPolarHBondContact O-CB 3.3Å; T95-R99 PolarHBondContact O-N 3.42Å
96	Q	97.9	Very high	97.9	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-71.7	-44.4	176.1	-58.7	-51.8	-46.5	0	0	111.9	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.19Å; T93-Q96 PolarHBondContact O-N 3.24Å; T93-Q96 VanDerWaalsContact O-N 3.17Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.79Å; Q96-Y98 VanDerWaalsContact C-N 3.35Å; Q96-Y98 PolarHBondContact O-N 2.75Å; Q96-R99 WeakPolarHBondContact O-CB 3.36Å; Q96-R99 PolarHBondContact O-N 3.01Å; Q96-E100 PolarHBondContact O-N 2.95Å
97	T	97.9	Very high	97.9	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-43.8	-179.9	-56.4	0	0	0	0	111.9	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.18Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.16Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-S101 WeakPolarHBondContact O-CB 3.2Å; T97-S101 PolarHBondContact O-N 2.87Å; T97-S101 PolarHBondContact O-OG 3.27Å
98	Y	98.2	Very high	97.8	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-72	-32.6	178.9	-82.1	-111.6	0	0	0	112.1	H33 A35 F46 N94 Q96 S101 L102 L119 S121 Y140	H33-Y98 HydrophobicContact CB-CE1 3.88Å; H33-Y98 AromaticContact ND1-CE2 3.84Å; H33-Y98 AromaticContact ND1-CZ 3.58Å; H33-Y98 PolarHBondContact ND1-OH 3.02Å; A35-Y98 HydrophobicContact CB-CD1 3.72Å; A35-Y98 HydrophobicContact CB-CG 4.07Å; F46-Y98 HydrophobicContact CD2-CD1 4.39Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 HydrophobicContact CD2-CG 4.02Å; F46-Y98 HydrophobicContact CE2-CD1 4.08Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.35Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.76Å; F46-Y98 HydrophobicContact CE2-CG 3.76Å; N94-Y98 HydrophobicContact CB-CD2 4.4Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 WeakPolarHBondContact O-CD2 3.48Å; N94-Y98 PolarHBondContact O-N 3.04Å; Q96-Y98 VanDerWaalsContact C-N 3.35Å; Q96-Y98 PolarHBondContact O-N 2.75Å; Y98-S101 PolarHBondContact O-N 3.06Å; Y98-L102 WeakPolarHBondContact O-CB 3.34Å; Y98-L102 WeakPolarHBondContact O-CG 3.12Å; Y98-L102 PolarHBondContact O-N 3.22Å; Y98-L119 HydrophobicContact CD1-CB 4.43Å; Y98-L119 HydrophobicContact CD1-CD2 3.65Å; Y98-L119 HydrophobicContact CD1-CG 3.86Å; Y98-L119 HydrophobicContact CE1-CD2 4.11Å; Y98-L119 HydrophobicContact CE1-CG 4.05Å; Y98-L119 HydrophobicContact CG-CD2 4.34Å; Y98-S121 WeakPolarHBondContact OH-CB 3.18Å; Y98-S121 PolarHBondContact OH-OG 3.03Å; Y98-Y140 HydrophobicContact CE1-CE1 4.49Å
99	R	97.7	Very high	97.8	Very high	47 Å²	47	57.8 Å²	57.8	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-46.6	172.2	173.7	-168.2	-59.6	-176.4	-10.8	111.3	E43 P44 T95 Q96 R103	E43-R99 VanDerWaalsContact CD-CZ 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.24Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 VanDerWaalsContact OE2-CZ 3.27Å; E43-R99 IonicContact OE2-NE 3.33Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; E43-R99 IonicContact OE2-NH1 2.83Å; E43-R99 IonicContact OE2-NH2 3.62Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.17Å; T95-R99 WeakPolarHBondContact O-CB 3.3Å; T95-R99 PolarHBondContact O-N 3.42Å; Q96-R99 WeakPolarHBondContact O-CB 3.36Å; Q96-R99 PolarHBondContact O-N 3.01Å; R99-R103 PolarHBondContact O-N 3.18Å
100	E	97.6	Very high	97.7	Very high	115 Å²	115	59.7 Å²	59.7	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-41.2	175.6	-69.9	179.5	-176.7	0	0	111.6	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.95Å; T97-E100 PolarHBondContact O-N 3.3Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.49Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.67Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-N104 PolarHBondContact O-N 3.11Å; E100-N104 PolarHBondContact O-ND2 3.14Å
101	S	98	Very high	97.6	Very high	39 Å²	39	59.3 Å²	59.3	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-43	177	-60	0	0	0	0	112	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.2Å; T97-S101 PolarHBondContact O-N 2.87Å; T97-S101 PolarHBondContact O-OG 3.27Å; Y98-S101 PolarHBondContact O-N 3.06Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.06Å; S101-N104 PolarHBondContact O-N 3.45Å; S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å
102	L	98.2	Very high	97.4	Very high	8 Å²	8	63 Å²	63	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-39.8	174	-77.5	167.9	0	0	0	112.3	A35 P44 Y98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.84Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.98Å; Y98-L102 WeakPolarHBondContact O-CB 3.34Å; Y98-L102 WeakPolarHBondContact O-CG 3.12Å; Y98-L102 PolarHBondContact O-N 3.22Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.49Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.9Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.32Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103	R	96.3	Very high	97.1	Very high	130 Å²	130	65.1 Å²	65.1	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-42.7	175.8	-67.2	175.3	-173.6	165.1	1.6	111.5	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 3.11Å; E43-R103 IonicContact OE2-NH2 2.71Å; R99-R103 PolarHBondContact O-N 3.18Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.67Å; E100-R103 VanDerWaalsContact O-N 3.1Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.06Å; R103-G107 PolarHBondContact O-N 2.83Å
104	N	97.1	Very high	96.8	Very high	85 Å²	85	66 Å²	66	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-47.6	178.2	-69.7	-24.9	0	0	0	111.8	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.11Å; E100-N104 PolarHBondContact O-ND2 3.14Å; S101-N104 PolarHBondContact O-N 3.45Å; N104-R106 PolarHBondContact O-N 2.63Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.43Å; N104-G107 VanDerWaalsContact O-N 3.09Å; N104-Y108 WeakPolarHBondContact O-CD1 3.28Å; N104-Y108 PolarHBondContact O-N 3.24Å
105	L	97.9	Very high	96.5	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-46.2	179.6	-71.1	167.1	0	0	0	111.2	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3Å; L105-G107 PolarHBondContact O-N 2.97Å; L105-Y108 HydrophobicContact CD2-CD2 4.45Å; L105-Y108 PolarHBondContact O-N 3.03Å; L105-Y108 VanDerWaalsContact O-N 3.07Å; L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.04Å; L105-L119 HydrophobicContact CD1-CB 4.45Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.92Å; L105-L119 HydrophobicContact CD1-CG 4.25Å; L105-Y142 HydrophobicContact CB-CD1 4.49Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.17Å; L105-Y142 HydrophobicContact CB-CE2 3.75Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å
106	R	96.6	Very high	96.4	Very high	66 Å²	66	68.5 Å²	68.5	25%	0.249	37%	0.371	C	S	.	.	H	α-helix	trans	-53.5	-42	173.5	-172.2	-175.1	66.1	174.3	10	111.9	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.9Å; L102-R106 VanDerWaalsContact O-N 3.08Å; N104-R106 PolarHBondContact O-N 2.63Å; R106-N110 PolarHBondContact O-N 3.5Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.37Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.73Å; R106-E113 PolarHBondContact NH1-OE1 3.37Å; R106-E113 IonicContact NH2-OE1 3.84Å; R106-E113 PolarHBondContact NH2-OE1 2.94Å
107	G	96.6	Very high	96.4	Very high	43 Å²	43	65.2 Å²	65.2	44%	0.443	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.83Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.43Å; N104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.97Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.94Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.39Å
108	Y	97.8	Very high	96.4	Very high	56 Å²	56	63.9 Å²	63.9	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-61.6	-35.4	179.4	-63.5	-12.8	0	0	0	112.8	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.28Å; N104-Y108 PolarHBondContact O-N 3.24Å; L105-Y108 HydrophobicContact CD2-CD2 4.45Å; L105-Y108 PolarHBondContact O-N 3.03Å; L105-Y108 VanDerWaalsContact O-N 3.07Å; Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.24Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 3.44Å
109	Y	97.8	Very high	96.5	Very high	67 Å²	67	63.6 Å²	63.6	26%	0.263	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	3.9	178	-69.8	-72.7	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.04Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.94Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.4Å; Y109-D161 PolarHBondContact OH-OD2 2.99Å; Y109-A163 HydrophobicContact CD1-CB 4.1Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 HydrophobicContact CG-CB 4.47Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.6	Very high	96.5	Very high	153 Å²	153	65 Å²	65	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.3	-177.1	-58.6	-56.9	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.5Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.39Å
111	Q	96.6	Very high	96.6	Very high	60 Å²	60	59.9 Å²	59.9	28%	0.28	33%	0.332	S	S	.	.			trans	-86.3	153.3	-176.9	-70.9	169.2	-31.8	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Q111-H117 PolarHBondContact NE2-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-ND1 3.48Å; Q111-Y142 PolarHBondContact OE1-OH 3.44Å; Q111-D143 PolarHBondContact NE2-OD2 3.49Å
112	S	94.5	Very high	96.6	Very high	79 Å²	79	58.9 Å²	58.9	55%	0.552	32%	0.323	S	S	*	.			trans	-74.1	155.3	-178.4	76.8	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 2.87Å; S112-G115 PolarHBondContact O-N 3.35Å
113	E	91	Very high	96.6	Very high	137 Å²	137	60.5 Å²	60.5	64%	0.64	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.4	178.1	-55.2	-152.7	124.9	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.73Å; R106-E113 PolarHBondContact NH1-OE1 3.37Å; R106-E113 IonicContact NH2-OE1 3.84Å; R106-E113 PolarHBondContact NH2-OE1 2.94Å; E113-G115 VanDerWaalsContact C-N 3.32Å
114	A	91.6	Very high	96.7	Very high	86 Å²	86	54.3 Å²	54.3	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.7	179.4	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 2.87Å
115	G	92.3	Very high	96.8	Very high	20 Å²	20	50.3 Å²	50.3	21%	0.206	28%	0.284	C	S	.	.			trans	-72.8	133.2	178.8	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.4Å; S112-G115 PolarHBondContact O-N 3.35Å; E113-G115 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-CD2 3.39Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	96.3	Very high	96.8	Very high	81 Å²	81	51.3 Å²	51.3	57%	0.566	29%	0.29	S	S	*	.			trans	-83.8	132.6	164	179.9	0	0	0	0	108.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 2.89Å
117	H	98.1	Very high	96.9	Very high	16 Å²	16	48.2 Å²	48.2	7%	0.074	28%	0.278	C	S	.	.			trans	-132.5	150.1	-174	-64.4	-71.1	0	0	0	110.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.74Å; S37-H117 PolarHBondContact OG-N 3.45Å; S37-H117 PolarHBondContact OG-O 3.25Å; L102-H117 HydrophobicContact CD2-CB 4.32Å; Q111-H117 PolarHBondContact NE2-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-ND1 3.48Å; G115-H117 PolarHBondContact O-CD2 3.39Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.42Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 2.9Å; H117-D143 WeakPolarHBondContact CA-OD1 3.25Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.39Å; H117-D143 IonicContact CG-OD2 3.61Å; H117-D143 IonicContact ND1-OD1 2.69Å; H117-D143 IonicContact ND1-OD2 2.97Å; H117-D143 PolarHBondContact ND1-OD2 3.45Å
118	T	98.6	Very high	96.8	Very high	37 Å²	37	46.3 Å²	46.3	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.3	-177.6	-53.3	0	0	0	0	110.4	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.98Å; A35-T118 CarbonylContact O-C 3.53Å; A35-T118 WeakPolarHBondContact O-CA 3.31Å; M36-T118 HydrophobicContact CG-CG2 3.98Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 3.33Å
119	L	98.8	Very high	96.5	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	170.1	175.2	60.7	0	0	0	108.5	A35 Y98 S101 L102 L105 Y140 A141 Y142	A35-L119 PolarHBondContact N-O 3.36Å; A35-L119 PolarHBondContact O-N 2.95Å; Y98-L119 HydrophobicContact CD1-CB 4.43Å; Y98-L119 HydrophobicContact CD1-CD2 3.65Å; Y98-L119 HydrophobicContact CD1-CG 3.86Å; Y98-L119 HydrophobicContact CE1-CD2 4.11Å; Y98-L119 HydrophobicContact CE1-CG 4.05Å; Y98-L119 HydrophobicContact CG-CD2 4.34Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L105-L119 HydrophobicContact CD1-CB 4.45Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.92Å; L105-L119 HydrophobicContact CD1-CG 4.25Å; L119-Y140 HydrophobicContact CD1-CD1 4.25Å; L119-A141 WeakPolarHBondContact CD1-O 3.39Å; L119-Y142 HydrophobicContact CB-CD2 4.47Å
120	Q	98.8	Very high	96.1	Very high	77 Å²	77	49.9 Å²	49.9	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.1	178.5	-62.2	174.5	-92.1	0	0	110	H33 T34 T118 Y140 A141	H33-Q120 CarbonylContact O-C 3.58Å; H33-Q120 WeakPolarHBondContact O-CA 3.29Å; T34-Q120 HydrophobicContact CG2-CG 4.18Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 VanDerWaalsContact O-CA 3.27Å; Q120-Y140 WeakPolarHBondContact O-CA 3.05Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.8Å
121	S	98.6	Very high	95.9	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.8	164.7	76.2	0	0	0	0	111.8	F32 H33 Y98 Q139 Y140	F32-S121 WeakPolarHBondContact CA-O 3.33Å; H33-S121 WeakPolarHBondContact CB-OG 3.46Å; H33-S121 PolarHBondContact N-O 3.29Å; H33-S121 PolarHBondContact O-N 3.17Å; Y98-S121 WeakPolarHBondContact OH-CB 3.18Å; Y98-S121 PolarHBondContact OH-OG 3.03Å; S121-Q139 CarbonylContact C-O 3.6Å; S121-Q139 WeakPolarHBondContact CA-O 3.14Å; S121-Q139 VanDerWaalsContact CB-O 3.32Å; S121-Q139 WeakPolarHBondContact CB-O 3.41Å; S121-Y140 VanDerWaalsContact CB-CD1 3.48Å
122	M	98.6	Very high	95.8	Very high	19 Å²	19	48.5 Å²	48.5	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.5	169.5	-176.1	-78.4	-70.4	0	0	108.1	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.48Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 3.99Å; M122-N138 WeakPolarHBondContact O-CA 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 4.06Å; M122-Q139 PolarHBondContact N-O 3.47Å; M122-Q139 PolarHBondContact O-N 2.86Å
123	Y	98.6	Very high	95.9	Very high	42 Å²	42	47.1 Å²	47.1	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.1	172.3	68.7	-76.8	0	0	0	110.3	Y31 H33 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.88Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.3Å; Y31-Y123 AromaticContact CG-CZ 3.84Å; Y31-Y123 PolarHBondContact N-O 2.7Å; Y31-Y123 PolarHBondContact O-N 2.86Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; H33-Y123 AromaticContact CE1-CE1 3.31Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.49Å; H33-Y123 AromaticContact CE1-CZ 3.88Å; H33-Y123 AromaticContact ND1-CE1 3.87Å; H33-Y123 AromaticContact NE2-CE1 3.56Å; H33-Y123 PolarHBondContact NE2-OH 2.91Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.44Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 AromaticContact CE2-CE1 3.92Å; Y123-Y183 HydrophobicContact CE2-CE1 3.92Å
124	G	98.6	Very high	96.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-179.9	-176.3	0	0	0	0	0	113.7	M29 H137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; G124-H137 PolarHBondContact N-O 2.98Å; G124-H137 PolarHBondContact O-N 3.27Å; G124-L184 WeakPolarHBondContact O-CD2 3.33Å
125	C	98.6	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.1	-175.4	50.7	0	0	0	0	110.7	S28 M29 L133 R135 C188 V189	S28-C125 CarbonylContact C-O 3.52Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.33Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.5Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.27Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.34Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 2.89Å; C125-V189 HydrophobicContact CB-CG2 4.36Å
126	D	98.3	Very high	96.8	Very high	29 Å²	29	46.4 Å²	46.4	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.8	171.6	-53.3	-24.5	0	0	0	108.1	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å; R30-D126 IonicContact CZ-OD1 3.23Å; R30-D126 IonicContact NE-OD1 2.79Å; R30-D126 PolarHBondContact NE-OD1 3.39Å; R30-D126 VanDerWaalsContact NE-OD1 3.11Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.59Å; R30-D126 PolarHBondContact NH2-OD1 2.78Å; R30-D126 IonicContact NH2-OD2 3.86Å; R30-D126 PolarHBondContact NH2-OD2 2.77Å; D126-L134 PolarHBondContact O-N 3.45Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.77Å; D126-H137 IonicContact OD1-NE2 3.6Å; D126-H137 IonicContact OD2-CD2 2.8Å; D126-H137 IonicContact OD2-CE1 3.67Å; D126-H137 IonicContact OD2-NE2 3.58Å; D126-H137 PolarHBondContact OD2-NE2 3.35Å
127	V	97.4	Very high	96.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.5	179.4	-60.5	0	0	0	0	110.9	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.55Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.19Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.03Å; H27-V127 PolarHBondContact O-N 3.49Å; V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.23Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	94.8	Very high	96.9	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	22%	0.215	C	C	.	.			trans	-81.9	-177.7	174.2	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.49Å; G128-D130 PolarHBondContact O-N 2.83Å; G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.82Å; G128-R132 PolarHBondContact N-O 3.11Å
129	P	91.4	Very high	96.9	Very high	102 Å²	102	45.2 Å²	45.2	66%	0.662	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	178	-22.7	33.1	0	0	0	114	A24 G25 G131	A24-P129 VanDerWaalsContact O-CG 3.31Å; A24-P129 WeakPolarHBondContact O-CG 3.39Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å; G25-P129 WeakPolarHBondContact O-CG 3.36Å; G25-P129 VanDerWaalsContact O-N 3.12Å; P129-G131 PolarHBondContact O-N 2.82Å
130	D	90.9	Very high	96.9	Very high	95 Å²	95	47.4 Å²	47.4	51%	0.508	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.1	173.3	71.2	-11.3	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.83Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 PolarHBondContact OD1-N 2.71Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-CZ 2.75Å; D130-R132 IonicContact OD2-NE 3.37Å; D130-R132 IonicContact OD2-NH1 3.66Å; D130-R132 PolarHBondContact OD2-NH1 2.92Å
131	G	91.1	Very high	96.9	Very high	13 Å²	13	44.6 Å²	44.6	13%	0.134	22%	0.22	C	C	.	.	S	Bend	trans	71.5	4.9	-177.7	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.82Å; P129-G131 PolarHBondContact O-N 2.82Å; G131-V189 WeakPolarHBondContact O-CG1 3.31Å; G131-R193 VanDerWaalsContact C-NH2 3.29Å; G131-R193 PolarHBondContact O-NE 2.91Å; G131-R193 PolarHBondContact O-NH2 3.3Å
132	R	95.1	Very high	96.9	Very high	172 Å²	172	44.8 Å²	44.8	65%	0.649	22%	0.22	S	C	*	.			trans	-80.5	150.8	-179.7	-64.3	-173.8	-178.4	150.5	-6.1	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.23Å; G128-R132 PolarHBondContact N-O 3.11Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 PolarHBondContact OD1-N 2.71Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-CZ 2.75Å; D130-R132 IonicContact OD2-NE 3.37Å; D130-R132 IonicContact OD2-NH1 3.66Å; D130-R132 PolarHBondContact OD2-NH1 2.92Å; R132-L134 PolarHBondContact O-N 2.74Å
133	L	97.4	Very high	96.9	Very high	49 Å²	49	46.9 Å²	46.9	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	123.1	175.8	-174.8	72.5	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.42Å; L133-L154 HydrophobicContact CD2-CD1 4.13Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å
134	L	97.1	Very high	96.8	Very high	117 Å²	117	47.7 Å²	47.7	61%	0.613	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	-45	167.7	-64.4	178.7	0	0	0	110.6	D126 R132	D126-L134 PolarHBondContact O-N 3.45Å; R132-L134 PolarHBondContact O-N 2.74Å
135	R	97	Very high	96.8	Very high	105 Å²	105	55.3 Å²	55.3	40%	0.396	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	137.2	-175.3	-172.1	172.9	175.9	136.7	9.1	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.5Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.77Å; L133-R135 WeakPolarHBondContact CD1-O 3.42Å; R135-H137 WeakPolarHBondContact CD-CE1 3.34Å; R135-H137 PolarHBondContact NE-CE1 3.14Å; R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 2.93Å; R135-E152 PolarHBondContact NH1-OE1 2.82Å; R135-E152 IonicContact NH2-OE1 3.7Å; R135-E152 PolarHBondContact NH2-OE1 2.93Å
136	G	98.1	Very high	96.8	Very high	6 Å²	6	61.4 Å²	61.4	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.2	167.8	0	0	0	0	0	110.8
137	H	98.2	Very high	96.8	Very high	20 Å²	20	60.5 Å²	60.5	9%	0.093	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.6	179.6	-54.8	-96.1	0	0	0	109.7	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.44Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 3.99Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.44Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; G124-H137 PolarHBondContact N-O 2.98Å; G124-H137 PolarHBondContact O-N 3.27Å; D126-H137 IonicContact OD1-NE2 3.6Å; D126-H137 IonicContact OD2-CD2 2.8Å; D126-H137 IonicContact OD2-CE1 3.67Å; D126-H137 IonicContact OD2-NE2 3.58Å; D126-H137 PolarHBondContact OD2-NE2 3.35Å; R135-H137 WeakPolarHBondContact CD-CE1 3.34Å; R135-H137 PolarHBondContact NE-CE1 3.14Å
138	N	98.5	Very high	96.9	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.043	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	107.5	162.5	-171.8	6.6	0	0	0	109.1	M122 Y140 L150 D180	M122-N138 WeakPolarHBondContact O-CA 3.41Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.4Å; N138-L150 HydrophobicContact CB-CB 3.99Å; N138-L150 HydrophobicContact CB-CD2 4.15Å; N138-L150 WeakPolarHBondContact O-CB 3.38Å; N138-L150 PolarHBondContact O-N 2.99Å; N138-D180 VanDerWaalsContact ND2-CG 3.35Å; N138-D180 PolarHBondContact ND2-OD2 3.49Å
139	Q	98.6	Very high	97.1	Very high	82 Å²	82	61.9 Å²	61.9	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.6	-174.8	64.6	-170.5	51.3	0	0	111.9	S121 M122 A149	S121-Q139 CarbonylContact C-O 3.6Å; S121-Q139 WeakPolarHBondContact CA-O 3.14Å; S121-Q139 VanDerWaalsContact CB-O 3.32Å; S121-Q139 WeakPolarHBondContact CB-O 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 4.06Å; M122-Q139 PolarHBondContact N-O 3.47Å; M122-Q139 PolarHBondContact O-N 2.86Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	Y	98.8	Very high	97.4	Very high	50 Å²	50	57.8 Å²	57.8	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145	-178.8	-66	-104.6	0	0	0	110.7	Y98 L119 Q120 S121 N138 Y147 I148 W171	Y98-Y140 HydrophobicContact CE1-CE1 4.49Å; L119-Y140 HydrophobicContact CD1-CD1 4.25Å; Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 VanDerWaalsContact O-CA 3.27Å; Q120-Y140 WeakPolarHBondContact O-CA 3.05Å; S121-Y140 VanDerWaalsContact CB-CD1 3.48Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.4Å; Y140-Y147 WeakPolarHBondContact O-CB 3.25Å; Y140-Y147 PolarHBondContact O-N 3.33Å; Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.46Å; Y140-I148 PolarHBondContact N-O 3.12Å; Y140-I148 PolarHBondContact O-N 3.27Å; Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.29Å; Y140-W171 AromaticContact CE2-CH2 3.49Å; Y140-W171 HydrophobicContact CE2-CH2 3.49Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.49Å; Y140-W171 HydrophobicContact CE2-CZ3 4.05Å; Y140-W171 AromaticContact CZ-CH2 3.9Å
141	A	98.8	Very high	97.8	Very high	17 Å²	17	55.3 Å²	55.3	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.7	173.2	0	0	0	0	0	110.4	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.8Å; A141-K145 CarbonylContact C-O 3.48Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.18Å
142	Y	98.8	Very high	98.1	Very high	10 Å²	10	61.2 Å²	61.2	4%	0.039	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.3	177	-174.8	-117.2	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.49Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.17Å; L105-Y142 HydrophobicContact CB-CE2 3.75Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Q111-Y142 PolarHBondContact OE1-OH 3.44Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.42Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 2.9Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; L119-Y142 HydrophobicContact CB-CD2 4.47Å; Y142-G144 PolarHBondContact O-N 3.44Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 3.41Å
143	D	98.1	Very high	98.2	Very high	63 Å²	63	56.7 Å²	56.7	34%	0.337	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.2	-174.6	-66.4	-22.3	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.49Å; H117-D143 WeakPolarHBondContact CA-OD1 3.25Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.39Å; H117-D143 IonicContact CG-OD2 3.61Å; H117-D143 IonicContact ND1-OD1 2.69Å; H117-D143 IonicContact ND1-OD2 2.97Å; H117-D143 PolarHBondContact ND1-OD2 3.45Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 3.33Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.87Å
144	G	97.3	Very high	98.2	Very high	60 Å²	60	54.8 Å²	54.8	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	8.1	177.8	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.44Å
145	K	98.4	Very high	98.3	Very high	160 Å²	160	57.1 Å²	57.1	70%	0.696	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.4	176.5	-62.2	-179.9	-178.2	178.6	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.48Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.18Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 3.41Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 2.98Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	54 Å²	54	68%	0.679	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	136.9	174.5	-66.6	-22.6	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.34Å; D146-A160 WeakPolarHBondContact O-CB 3.46Å
147	Y	98.8	Very high	98.3	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-64.7	179.9	180	-112.1	0	0	0	110.6	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y140-Y147 WeakPolarHBondContact O-CB 3.25Å; Y140-Y147 PolarHBondContact O-N 3.33Å; K145-Y147 PolarHBondContact O-N 2.98Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.35Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 3Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	57 Å²	57	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.6	179.1	-163.2	173.1	0	0	0	110	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.46Å; Y140-I148 PolarHBondContact N-O 3.12Å; Y140-I148 PolarHBondContact O-N 3.27Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; I148-T158 WeakPolarHBondContact CA-O 3.4Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; I148-Q168 HydrophobicContact CD1-CB 3.85Å; I148-W171 HydrophobicContact CD1-CE3 4.21Å; I148-W171 HydrophobicContact CD1-CZ3 4.45Å; I148-W171 HydrophobicContact CG2-CH2 4.15Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	57.8 Å²	57.8	26%	0.256	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139	179.7	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 VanDerWaalsContact C-CE3 3.47Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.92Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128	169.3	-175.6	65.6	0	0	0	108.3	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 3.99Å; N138-L150 HydrophobicContact CB-CD2 4.15Å; N138-L150 WeakPolarHBondContact O-CB 3.38Å; N138-L150 PolarHBondContact O-N 2.99Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 3.94Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.31Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	56.9 Å²	56.9	24%	0.235	32%	0.316	C	S	.	.			trans	-72.2	162.5	179.8	-67.3	-29.3	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-L154 PolarHBondContact O-N 2.94Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.24Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.3Å; N151-T158 PolarHBondContact ND2-OG1 3.5Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
152	E	97.6	Very high	98.3	Very high	136 Å²	136	61.3 Å²	61.3	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.8	-179.5	-66.1	-179.6	-176.7	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 2.93Å; R135-E152 PolarHBondContact NH1-OE1 2.82Å; R135-E152 IonicContact NH2-OE1 3.7Å; R135-E152 PolarHBondContact NH2-OE1 2.93Å; E152-L154 PolarHBondContact O-N 3.36Å
153	D	97.5	Very high	98.3	Very high	78 Å²	78	61 Å²	61	42%	0.417	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.5	174.3	70.6	3.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 3.32Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.95Å; D153-S156 PolarHBondContact OD1-OG 3.47Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.46Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
154	L	98	Very high	98.3	Very high	9 Å²	9	58 Å²	58	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	53.2	28.6	-175.2	-53.4	-179.1	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.13Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; N151-L154 PolarHBondContact O-N 2.94Å; E152-L154 PolarHBondContact O-N 3.36Å; L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.6	Very high	98.4	Very high	165 Å²	165	58.8 Å²	58.8	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-134.9	-31.7	-174.1	-71.2	169.6	-174.7	-121.4	7.7	112.7	D153	D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 3.32Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	54 Å²	54	28%	0.28	29%	0.294	S	S	.	.			trans	-117.5	161.6	-177	63.7	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.24Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.3Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.95Å; D153-S156 PolarHBondContact OD1-OG 3.47Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.46Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.6	-177.7	-63.2	92.1	0	0	0	110.9	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; A149-W157 VanDerWaalsContact C-CE3 3.47Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 3.94Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.31Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 3.04Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 3.91Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.64Å; W157-W171 HydrophobicContact CZ3-CE3 3.64Å; W157-W171 AromaticContact CZ3-CZ3 3.35Å; W157-W171 HydrophobicContact CZ3-CZ3 3.35Å; W157-V176 HydrophobicContact CZ2-CB 4.41Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; W157-D180 VanDerWaalsContact CH2-OD2 3.27Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.43Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	50.2 Å²	50.2	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.1	166.8	-66.3	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.4Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.92Å; N151-T158 PolarHBondContact ND2-OG1 3.5Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	57.6 Å²	57.6	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.1	175.4	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.93Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	61.6 Å²	61.6	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	-75	-30	-176.8	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.34Å; D146-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.35Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	63.5 Å²	63.5	28%	0.283	32%	0.319	S	S	.	.	S	Bend	trans	-150.9	-175.8	-179.1	66.9	28.6	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.4Å; Y109-D161 PolarHBondContact OH-OD2 2.99Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.43Å; D161-A163 WeakPolarHBondContact OD1-CA 3.46Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.27Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 3.4Å; D161-Q165 WeakPolarHBondContact O-CG 3.27Å; D161-Q165 PolarHBondContact O-N 3.38Å
162	T	98.1	Very high	98.3	Very high	111 Å²	111	65.9 Å²	65.9	68%	0.681	33%	0.329	S	S	*	.	H	α-helix	trans	-66.4	-28.3	-178.8	52.1	0	0	0	0	113.6
163	A	98	Very high	98.3	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-74.1	-37.9	174.8	0	0	0	0	0	110.8	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.1Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 HydrophobicContact CG-CB 4.47Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 PolarHBondContact OH-O 2.86Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.43Å; D161-A163 WeakPolarHBondContact OD1-CA 3.46Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.27Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 2.99Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-34.6	172.3	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.99Å; D161-A164 PolarHBondContact OD1-N 3.4Å; A164-I166 PolarHBondContact O-N 3.1Å; A164-T167 WeakPolarHBondContact O-CB 3.28Å; A164-T167 PolarHBondContact O-N 3.18Å; A164-Q168 PolarHBondContact O-N 3.42Å
165	Q	98.7	Very high	98.3	Very high	76 Å²	76	69.6 Å²	69.6	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-28	174.4	-72.4	174	11.4	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.27Å; D161-Q165 PolarHBondContact O-N 3.38Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.42Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.3	Very high	98.4	Very high	60 Å²	60	63 Å²	63	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-45	174.1	-58.3	171.1	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.24Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 2.99Å; A164-I166 PolarHBondContact O-N 3.1Å; I166-K170 WeakPolarHBondContact O-CG 3.08Å; I166-K170 PolarHBondContact O-N 3.42Å
167	T	98.4	Very high	98.4	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-44.1	176.7	-66	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 3Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; A164-T167 WeakPolarHBondContact O-CB 3.28Å; A164-T167 PolarHBondContact O-N 3.18Å; T167-R169 PolarHBondContact O-N 3.48Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.49Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.26Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.85Å; T167-W171 WeakPolarHBondContact O-CB 3.32Å; T167-W171 PolarHBondContact O-N 3.4Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.2 Å²	66.2	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-51.3	-52.8	175.4	176.6	173.5	11.5	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.85Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 3.04Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 3.42Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.9Å; Q168-W171 PolarHBondContact O-N 3.45Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.06Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.18Å; Q168-E172 PolarHBondContact O-N 3.41Å
169	R	98.7	Very high	98.3	Very high	158 Å²	158	68.6 Å²	68.6	60%	0.596	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-38.9	179.8	-68.4	170.3	-165.5	159	8.2	112.5	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.42Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.38Å; R169-A173 PolarHBondContact O-N 3.21Å
170	K	98.3	Very high	98.3	Very high	115 Å²	115	69 Å²	69	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-43.7	176.4	-72.9	178.4	175.7	-173.8	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.44Å; I166-K170 WeakPolarHBondContact O-CG 3.08Å; I166-K170 PolarHBondContact O-N 3.42Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.49Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.9Å; K170-A173 PolarHBondContact O-N 3.25Å; K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 3.07Å
171	W	98.4	Very high	98.3	Very high	56 Å²	56	69.6 Å²	69.6	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-72	-36.5	-178.3	-75.2	9.2	0	0	0	112.7	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.29Å; Y140-W171 AromaticContact CE2-CH2 3.49Å; Y140-W171 HydrophobicContact CE2-CH2 3.49Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.49Å; Y140-W171 HydrophobicContact CE2-CZ3 4.05Å; Y140-W171 AromaticContact CZ-CH2 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.21Å; I148-W171 HydrophobicContact CD1-CZ3 4.45Å; I148-W171 HydrophobicContact CG2-CH2 4.15Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 3.91Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.64Å; W157-W171 HydrophobicContact CZ3-CE3 3.64Å; W157-W171 AromaticContact CZ3-CZ3 3.35Å; W157-W171 HydrophobicContact CZ3-CZ3 3.35Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.26Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.85Å; T167-W171 WeakPolarHBondContact O-CB 3.32Å; T167-W171 PolarHBondContact O-N 3.4Å; Q168-W171 PolarHBondContact O-N 3.45Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.39Å; W171-R175 WeakPolarHBondContact O-CA 3.22Å; W171-R175 PolarHBondContact O-N 3.46Å; W171-V176 HydrophobicContact CB-CB 3.96Å; W171-V176 HydrophobicContact CB-CG2 3.87Å; W171-V176 HydrophobicContact CD2-CB 4.47Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CD2-CG2 4.48Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.83Å; W171-V176 PolarHBondContact O-N 3.17Å
172	E	98.5	Very high	98.3	Very high	93 Å²	93	70.1 Å²	70.1	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-47.4	171.4	-73.1	170.1	173.7	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.06Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.18Å; Q168-E172 PolarHBondContact O-N 3.41Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.2Å; E172-R175 PolarHBondContact O-N 3.17Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	67.9 Å²	67.9	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-35.5	177	0	0	0	0	0	112.6	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.38Å; R169-A173 PolarHBondContact O-N 3.21Å; K170-A173 PolarHBondContact O-N 3.25Å
174	A	98.2	Very high	98.3	Very high	58 Å²	58	67.8 Å²	67.8	48%	0.479	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.9	177.1	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 3.07Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.39Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.2Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 2.85Å
175	R	98	Very high	98.3	Very high	156 Å²	156	72 Å²	72	59%	0.589	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40	-178.3	-60.7	175	171.7	-135.1	7.6	113.9	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.22Å; W171-R175 PolarHBondContact O-N 3.46Å; E172-R175 PolarHBondContact O-N 3.17Å; E172-R175 VanDerWaalsContact O-N 3.08Å; R175-A177 PolarHBondContact O-N 3.47Å; R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.31Å; R175-E178 IonicContact CZ-OE1 3.59Å; R175-E178 IonicContact NE-OE1 3.65Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 3.26Å; R175-E178 IonicContact NH1-OE2 2.75Å; R175-E178 WeakPolarHBondContact O-CB 3.07Å; R175-E178 PolarHBondContact O-N 2.84Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	V	98.3	Very high	98.3	Very high	27 Å²	27	69.4 Å²	69.4	16%	0.164	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-36.9	-178	177.3	0	0	0	0	111.7	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.41Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W171-V176 HydrophobicContact CB-CB 3.96Å; W171-V176 HydrophobicContact CB-CG2 3.87Å; W171-V176 HydrophobicContact CD2-CB 4.47Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CD2-CG2 4.48Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.83Å; W171-V176 PolarHBondContact O-N 3.17Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 2.85Å; V176-E178 PolarHBondContact O-N 3.41Å; V176-Q179 WeakPolarHBondContact O-CB 3.37Å; V176-Q179 PolarHBondContact O-N 3.03Å; V176-D180 PolarHBondContact O-N 3.03Å
177	A	98.4	Very high	98.3	Very high	7 Å²	7	69.4 Å²	69.4	6%	0.058	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-33	177.4	0	0	0	0	0	113.2	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.94Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; R175-A177 PolarHBondContact O-N 3.47Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 3.49Å
178	E	98.1	Very high	98.3	Very high	109 Å²	109	68.6 Å²	68.6	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-36.8	177.2	-63.5	178.1	-169.8	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.31Å; R175-E178 IonicContact CZ-OE1 3.59Å; R175-E178 IonicContact NE-OE1 3.65Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 3.26Å; R175-E178 IonicContact NH1-OE2 2.75Å; R175-E178 WeakPolarHBondContact O-CB 3.07Å; R175-E178 PolarHBondContact O-N 2.84Å; R175-E178 VanDerWaalsContact O-N 3.08Å; V176-E178 PolarHBondContact O-N 3.41Å; E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.9Å; E178-A182 VanDerWaalsContact O-N 3.07Å
179	Q	97.5	Very high	98.3	Very high	130 Å²	130	67 Å²	67	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-71.3	-46.7	177.5	-59.2	176.6	27	0	0	111.1	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.37Å; V176-Q179 PolarHBondContact O-N 3.03Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.28Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.94Å; Q179-A182 PolarHBondContact O-N 2.8Å; Q179-Y183 PolarHBondContact O-N 2.83Å
180	D	98	Very high	98.3	Very high	33 Å²	33	65.7 Å²	65.7	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-44.3	177.3	-73.3	-16.2	0	0	0	110.9	N138 L150 W157 V176 A182 Y183 L184	N138-D180 VanDerWaalsContact ND2-CG 3.35Å; N138-D180 PolarHBondContact ND2-OD2 3.49Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; W157-D180 VanDerWaalsContact CH2-OD2 3.27Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.43Å; V176-D180 PolarHBondContact O-N 3.03Å; D180-A182 PolarHBondContact O-N 2.72Å; D180-Y183 PolarHBondContact O-N 2.61Å; D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 WeakPolarHBondContact O-CG 3.17Å; D180-L184 PolarHBondContact O-N 3.08Å
181	R	98.4	Very high	98.3	Very high	71 Å²	71	62.4 Å²	62.4	27%	0.268	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-45.2	175.8	-176.6	173.3	179.8	-134.6	-15.1	112.1	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 3.49Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.94Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.17Å; R181-L184 PolarHBondContact O-N 3.14Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.52Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.84Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 3.27Å; R181-E185 IonicContact NE-OE2 3.92Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.44Å; R181-E185 PolarHBondContact NH2-OE1 3.46Å; R181-E185 IonicContact NH2-OE2 3.52Å; R181-E185 PolarHBondContact NH2-OE2 3.01Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CG 3.03Å; R181-E185 PolarHBondContact O-N 3.22Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	59.8 Å²	59.8	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-39.6	177.9	0	0	0	0	0	112.1	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.9Å; E178-A182 VanDerWaalsContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 2.8Å; D180-A182 PolarHBondContact O-N 2.72Å; A182-G186 PolarHBondContact O-N 3.5Å; A182-G186 VanDerWaalsContact O-N 3.17Å
183	Y	98.3	Very high	98.2	Very high	63 Å²	63	60.8 Å²	60.8	25%	0.247	32%	0.316	C	S	.	.	I	π-helix	trans	-66.9	-47.9	173.7	171	-96.2	0	0	0	112.1	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 AromaticContact CE2-CE1 3.92Å; Y123-Y183 HydrophobicContact CE2-CE1 3.92Å; Q179-Y183 PolarHBondContact O-N 2.83Å; D180-Y183 PolarHBondContact O-N 2.61Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 3.04Å; Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.88Å; Y183-T187 PolarHBondContact O-N 2.83Å; Y183-C188 HydrophobicContact CD1-CB 4.21Å; Y183-C188 HydrophobicContact CE1-CB 3.77Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 2.93Å
184	L	98.6	Very high	98.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.303	C	S	.	.	I	π-helix	trans	-68.9	-39.5	-174.8	-70.1	170.2	0	0	0	112.6	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.33Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 WeakPolarHBondContact O-CG 3.17Å; D180-L184 PolarHBondContact O-N 3.08Å; R181-L184 PolarHBondContact O-N 3.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.5Å
185	E	98.1	Very high	98.1	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	28%	0.281	S	S	.	.	I	π-helix	trans	-78.7	-24.8	177.4	-69.3	-178.2	167.4	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.52Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.84Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 3.27Å; R181-E185 IonicContact NE-OE2 3.92Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.44Å; R181-E185 PolarHBondContact NH2-OE1 3.46Å; R181-E185 IonicContact NH2-OE2 3.52Å; R181-E185 PolarHBondContact NH2-OE2 3.01Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CG 3.03Å; R181-E185 PolarHBondContact O-N 3.22Å
186	G	98	Very high	98	Very high	21 Å²	21	53 Å²	53	22%	0.216	26%	0.256	C	S	.	.	I	π-helix	trans	-110.6	-94.3	-177.1	0	0	0	0	0	112.5	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.5Å; A182-G186 VanDerWaalsContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 3.04Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.05Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 3.3Å; G186-E190 PolarHBondContact O-N 2.94Å
187	T	98.1	Very high	97.8	Very high	59 Å²	59	57.6 Å²	57.6	36%	0.362	28%	0.276	S	S	.	.	I	π-helix	trans	-49.4	-44.3	-171.1	-54	0	0	0	0	113.5	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.88Å; Y183-T187 PolarHBondContact O-N 2.83Å; T187-V189 PolarHBondContact O-N 3.03Å; T187-E190 PolarHBondContact O-N 3Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.14Å
188	C	98.6	Very high	97.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-48.6	179.9	-172.8	0	0	0	0	111.7	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.5Å; M29-C188 VanDerWaalsContact CE-SG 3.52Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.27Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.34Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 2.89Å; Y183-C188 HydrophobicContact CD1-CB 4.21Å; Y183-C188 HydrophobicContact CE1-CB 3.77Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 2.93Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.05Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 3.08Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.06Å
189	V	98.5	Very high	97.6	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-41.1	179.6	173.3	0	0	0	0	111	C125 V127 G131 L133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.36Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.31Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å; L184-V189 WeakPolarHBondContact O-CG2 3.5Å; G186-V189 PolarHBondContact O-N 3.3Å; T187-V189 PolarHBondContact O-N 3.03Å; V189-L192 PolarHBondContact O-N 2.9Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 2.91Å
190	E	98.3	Very high	97.3	Very high	129 Å²	129	52.9 Å²	52.9	60%	0.603	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-46.6	177.6	-70.6	177.1	177.5	0	0	112.2	G186 T187 R194	G186-E190 PolarHBondContact O-N 2.94Å; T187-E190 PolarHBondContact O-N 3Å; E190-R194 PolarHBondContact O-N 3.42Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98.2	Very high	96.9	Very high	47 Å²	47	58 Å²	58	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-42.5	176.7	-80.9	107.7	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.38Å; Y83-W191 AromaticContact CE2-CH2 4Å; Y83-W191 HydrophobicContact CE2-CH2 4Å; Y83-W191 AromaticContact CE2-CZ3 3.9Å; Y83-W191 HydrophobicContact CE2-CZ3 3.9Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 3.08Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.49Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.79Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.24Å
192	L	98.3	Very high	96.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-46.9	176.8	174.6	52.6	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.39Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 2.9Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.01Å; L192-Y195 PolarHBondContact O-N 2.61Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.12Å; L192-L196 PolarHBondContact O-N 3.33Å
193	R	96.8	Very high	96.1	Very high	115 Å²	115	54 Å²	54	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-43.2	175.9	-71.7	175.6	-173.3	172.1	1.2	112.5	G131 V189 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.29Å; G131-R193 PolarHBondContact O-NE 2.91Å; G131-R193 PolarHBondContact O-NH2 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 2.91Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.49Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 3.05Å; R193-L196 PolarHBondContact O-N 3.33Å; R193-E197 PolarHBondContact O-N 3.36Å
194	R	97.1	Very high	95.5	Very high	122 Å²	122	55.3 Å²	55.3	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-42.7	175.9	178.1	179.9	174.2	119.3	-5.4	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.7Å; E79-R194 IonicContact OE1-NE 3.28Å; E79-R194 PolarHBondContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH2 3.27Å; E79-R194 PolarHBondContact OE1-NH2 3.49Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.33Å; E79-R194 IonicContact OE2-NH2 3.57Å; E79-R194 PolarHBondContact OE2-NH2 3.14Å; E190-R194 PolarHBondContact O-N 3.42Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.79Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.01Å; R194-E197 PolarHBondContact O-N 3.38Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 2.87Å; R194-N198 PolarHBondContact O-ND2 2.89Å; R194-N198 PolarHBondContact O-OD1 3.31Å
195	Y	97.4	Very high	95.2	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-38.4	179.4	-62.3	-27.1	0	0	0	112.8	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; F57-Y195 HydrophobicContact CE2-CD2 4.23Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.26Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.26Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.24Å; L192-Y195 PolarHBondContact O-N 2.61Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 3.05Å; Y195-N198 PolarHBondContact O-N 3.06Å; Y195-G199 WeakPolarHBondContact O-CA 3.21Å; Y195-G199 PolarHBondContact O-N 3.1Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å
196	L	96.1	Very high	95	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-44.9	173.1	-69.1	168.7	0	0	0	111.2	H27 V52 L192 R193 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.12Å; L192-L196 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.33Å; L196-G199 CarbonylContact O-C 3.4Å; L196-G199 PolarHBondContact O-N 2.91Å; L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å
197	E	95.5	Very high	94.9	Very high	123 Å²	123	58.9 Å²	58.9	58%	0.575	28%	0.277	S	S	*	.	H	α-helix	trans	-65	-46	176.5	-173	61.9	-150	0	0	111.8	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 3.36Å; R194-E197 PolarHBondContact O-N 3.38Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.14Å
198	N	95.9	Very high	94.9	Very high	49 Å²	49	59.1 Å²	59.1	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-37.7	178.4	-70.3	-7.3	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.47Å; Q78-N198 PolarHBondContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 3.28Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.07Å; E79-N198 PolarHBondContact OE1-ND2 3.49Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 2.87Å; R194-N198 PolarHBondContact O-ND2 2.89Å; R194-N198 PolarHBondContact O-OD1 3.31Å; Y195-N198 PolarHBondContact O-N 3.06Å
199	G	94.8	Very high	94.8	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.3	-174.3	0	0	0	0	0	114	Y195 L196 E197 D201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.21Å; Y195-G199 PolarHBondContact O-N 3.1Å; L196-G199 CarbonylContact O-C 3.4Å; L196-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.41Å; G199-D201 PolarHBondContact O-N 2.89Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 3.1Å; G199-T202 PolarHBondContact O-OG1 3.36Å; G199-L203 PolarHBondContact O-N 2.88Å
200	K	92.3	Very high	94.8	Very high	95 Å²	95	66.7 Å²	66.7	41%	0.413	31%	0.313	S	S	.	.	H	α-helix	trans	-48	-49.6	-167.4	-175	169.7	-169.4	160	0	114.7	L196 E197 T202 E204	L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 PolarHBondContact O-N 2.84Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.14Å; K200-T202 PolarHBondContact O-N 2.87Å; K200-E204 VanDerWaalsContact CE-OE2 3.23Å; K200-E204 WeakPolarHBondContact CE-OE2 3.44Å; K200-E204 HydrophobicContact CG-CG 4.36Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 2.85Å
201	D	89.8	Confident	94.8	Very high	141 Å²	141	62.2 Å²	62.2	75%	0.754	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-21.3	-179.7	-65.8	-22.4	0	0	0	113.5	G199	G199-D201 PolarHBondContact O-N 2.89Å
202	T	89.3	Confident	94.8	Very high	46 Å²	46	63.8 Å²	63.8	28%	0.282	30%	0.304	S	S	.	.	H	α-helix	trans	-99.2	-68.8	174.6	56.7	0	0	0	0	110.7	G199 K200 E204 R205 R263	G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 3.1Å; G199-T202 PolarHBondContact O-OG1 3.36Å; K200-T202 PolarHBondContact O-N 2.87Å; T202-E204 PolarHBondContact O-N 3.21Å; T202-R205 WeakPolarHBondContact O-CB 3.46Å; T202-R205 PolarHBondContact O-N 3.24Å; T202-R263 VanDerWaalsContact CA-NH1 3.34Å; T202-R263 VanDerWaalsContact CB-NH1 3.34Å; T202-R263 VanDerWaalsContact O-CZ 3.29Å; T202-R263 PolarHBondContact O-NH1 2.87Å; T202-R263 PolarHBondContact O-NH2 2.85Å
203	L	89.8	Confident	94.8	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-36	-165.8	-63.4	171.3	0	0	0	113.9	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.23Å; W75-L203 HydrophobicContact CZ2-CG 4.47Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å; G199-L203 PolarHBondContact O-N 2.88Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.03Å
204	E	87.1	Confident	94.8	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.43	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.2	178.3	-61.3	-175.5	-177.6	0	0	112.8	K200 T202	K200-E204 VanDerWaalsContact CE-OE2 3.23Å; K200-E204 WeakPolarHBondContact CE-OE2 3.44Å; K200-E204 HydrophobicContact CG-CG 4.36Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 2.85Å; T202-E204 PolarHBondContact O-N 3.21Å
205	R	91.3	Very high	94.7	Very high	123 Å²	123	57.6 Å²	57.6	46%	0.464	29%	0.289	S	S	.	.			trans	-94.3	112.8	179.3	-167.2	-176.1	80.1	-149.7	1	110.8	T202 L203 D207 Y233	T202-R205 WeakPolarHBondContact O-CB 3.46Å; T202-R205 PolarHBondContact O-N 3.24Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.03Å; R205-D207 IonicContact CZ-OD1 3.04Å; R205-D207 IonicContact CZ-OD2 3.57Å; R205-D207 IonicContact NE-OD1 3.77Å; R205-D207 PolarHBondContact NE-OD1 3.04Å; R205-D207 IonicContact NE-OD2 2.71Å; R205-D207 IonicContact NH2-OD1 2.96Å; R205-D207 PolarHBondContact NH2-OD1 2.88Å; R205-D207 IonicContact NH2-OD2 2.64Å; R205-D207 PolarHBondContact NH2-OD2 3.43Å; R205-Y233 WeakPolarHBondContact O-CD1 3.49Å
206	A	94	Very high	94.6	Very high	29 Å²	29	61.2 Å²	61.2	24%	0.24	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-82.8	124.8	166.2	0	0	0	0	0	110.9	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; A206-E288 HydrophobicContact CB-CB 4.14Å; A206-E288 HydrophobicContact CB-CG 4.46Å
207	D	95.8	Very high	94.6	Very high	35 Å²	35	65.3 Å²	65.3	19%	0.187	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-97.7	117.2	175.5	-68.7	-33.6	0	0	0	108.2	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.04Å; R205-D207 IonicContact CZ-OD2 3.57Å; R205-D207 IonicContact NE-OD1 3.77Å; R205-D207 PolarHBondContact NE-OD1 3.04Å; R205-D207 IonicContact NE-OD2 2.71Å; R205-D207 IonicContact NH2-OD1 2.96Å; R205-D207 PolarHBondContact NH2-OD1 2.88Å; R205-D207 IonicContact NH2-OD2 2.64Å; R205-D207 PolarHBondContact NH2-OD2 3.43Å; D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.11Å; D207-Y233 PolarHBondContact N-O 2.95Å; D207-Y233 PolarHBondContact O-N 3.35Å; D207-H287 PolarHBondContact O-CE1 2.9Å
208	P	97.3	Very high	94.4	Very high	64 Å²	64	64 Å²	64	42%	0.416	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-70.1	148.9	-176.9	25.3	-32.7	0	0	0	112.8	K210 L290	P208-K210 PolarHBondContact O-N 2.89Å; P208-L290 HydrophobicContact CB-CD2 3.87Å; P208-L290 HydrophobicContact CB-CG 4.45Å
209	P	98.1	Very high	94.3	Very high	9 Å²	9	64.2 Å²	64.2	6%	0.058	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.9	134.8	178.8	28.2	-35.4	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.82Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.2	Very high	94.1	Very high	158 Å²	158	71.3 Å²	71.3	69%	0.687	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.4	163.6	-63.7	173.3	-173.5	169	0	107.9	P208 L230	P208-K210 PolarHBondContact O-N 2.89Å; K210-L230 PolarHBondContact N-O 2.91Å; K210-L230 PolarHBondContact O-N 2.99Å
211	T	98.1	Very high	94.1	Very high	34 Å²	34	73.7 Å²	73.7	21%	0.209	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.4	-171.2	58.7	0	0	0	0	113	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.82Å; T211-W228 WeakPolarHBondContact CA-O 3.45Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.32Å; T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å
212	H	97.3	Very high	94.4	Very high	81 Å²	81	71.3 Å²	71.3	38%	0.375	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.1	171.9	62.9	-76.6	0	0	0	110.7	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.26Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 2.81Å
213	V	98.2	Very high	94.7	Very high	22 Å²	22	69.2 Å²	69.2	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.7	177	-179.1	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 CarbonylContact C-O 3.56Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.9	Very high	95.1	Very high	32 Å²	32	70 Å²	70	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.3	172.2	63.6	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.48Å; T214-H216 PolarHBondContact OG1-NE2 2.59Å; T214-L225 WeakPolarHBondContact O-CA 3.33Å; T214-R226 PolarHBondContact N-O 3.02Å; T214-R226 PolarHBondContact O-N 3.34Å; T214-W228 PolarHBondContact OG1-NE1 3.41Å
215	H	96.3	Very high	95.6	Very high	52 Å²	52	65.6 Å²	65.6	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.6	179.4	170.3	-92.5	0	0	0	109.5	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-T224 WeakPolarHBondContact CA-O 3.47Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.76Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.73Å; H215-W298 AromaticContact CG-CZ2 3.71Å; H215-W298 AromaticContact ND1-CZ2 3.9Å
216	H	95.3	Very high	95.9	Very high	78 Å²	78	62.2 Å²	62.2	36%	0.361	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	103.8	-178.3	-55.4	-70.9	0	0	0	109.5	T214 I218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.48Å; T214-H216 PolarHBondContact OG1-NE2 2.59Å; H216-I218 PolarHBondContact O-N 2.82Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; H216-T224 PolarHBondContact N-O 3.07Å; H216-T224 PolarHBondContact O-N 3.25Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 2.87Å; H216-R226 VanDerWaalsContact NE2-NH1 3.17Å
217	P	94.5	Very high	96.1	Very high	100 Å²	100	60.8 Å²	60.8	65%	0.649	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	133	174.2	-21.1	31.2	0	0	0	111.1
218	I	92.9	Very high	96.3	Very high	97 Å²	97	61.5 Å²	61.5	50%	0.497	32%	0.315	S	S	.	.			trans	-102.1	-44.8	174.2	-51.9	173.5	0	0	0	109.3	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.82Å; I218-E222 PolarHBondContact N-O 2.96Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 2.97Å; I218-V272 HydrophobicContact CD1-CG1 3.99Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å
219	S	93.1	Very high	96.3	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-147	-178.9	178	72.7	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.06Å; S219-H221 PolarHBondContact OG-N 3.2Å; S219-E222 PolarHBondContact N-O 3.46Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.43Å
220	D	89.9	Confident	96.3	Very high	151 Å²	151	60.5 Å²	60.5	81%	0.807	31%	0.306	S	S	*	.	S	Bend	trans	-63.2	-19.6	173.1	-64.9	-21.2	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.04Å
221	H	93.1	Very high	96.3	Very high	145 Å²	145	54.1 Å²	54.1	67%	0.671	29%	0.285	S	S	*	.	S	Bend	trans	-106.1	-15.9	-174.1	-55.2	-49.6	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.06Å; S219-H221 PolarHBondContact OG-N 3.2Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; H221-S275 PolarHBondContact O-N 2.98Å; H221-S275 PolarHBondContact O-OG 2.86Å
222	E	95.4	Very high	96.3	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.8	-171.1	-66	179.9	165.7	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.96Å; S219-E222 PolarHBondContact N-O 3.46Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.43Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.24Å; E222-S275 PolarHBondContact N-OG 3.47Å
223	A	96.3	Very high	96.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	172.2	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.01Å; A223-V273 PolarHBondContact O-N 3.4Å
224	T	97.7	Very high	96.1	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.9	167.5	-51.3	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.47Å; H216-T224 PolarHBondContact N-O 3.07Å; H216-T224 PolarHBondContact O-N 3.25Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 2.97Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.48Å
225	L	98.1	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.5	162	-63.6	-176.6	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.33Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.18Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 3.13Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.33Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.3	Very high	96.1	Very high	52 Å²	52	51.1 Å²	51.1	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.6	176.7	-176.5	178.5	-65.8	111.9	1.1	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.56Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; T214-R226 PolarHBondContact N-O 3.02Å; T214-R226 PolarHBondContact O-N 3.34Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 2.87Å; H216-R226 VanDerWaalsContact NE2-NH1 3.17Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.24Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.17Å
227	C	98.3	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.7	174.8	-173.1	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.11Å; C227-W268 WeakPolarHBondContact O-CB 3.27Å; C227-A269 PolarHBondContact N-O 2.91Å; C227-A269 PolarHBondContact O-N 3.45Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.39Å
228	W	98.4	Very high	96.3	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.186	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.1	179.5	-69.8	88.6	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.45Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.26Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 2.81Å; T214-W228 PolarHBondContact OG1-NE1 3.41Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.3	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; A229-K267 PolarHBondContact N-O 2.91Å; A229-K267 PolarHBondContact O-N 3.36Å; A229-K267 VanDerWaalsContact O-O 3.11Å
230	L	98.4	Very high	96.8	Very high	53 Å²	53	40.5 Å²	40.5	28%	0.277	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.5	-174.6	-58.4	177.2	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.91Å; K210-L230 PolarHBondContact O-N 2.99Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; L230-F232 VanDerWaalsContact C-N 3.34Å; L230-F232 PolarHBondContact O-N 3.5Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97.6	Very high	97.2	Very high	23 Å²	23	33.4 Å²	33.4	24%	0.237	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	28.8	167.4	0	0	0	0	0	114	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; G231-F265 PolarHBondContact N-O 3.11Å
232	F	97.8	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	155.6	-179.7	60.2	-89	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.11Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; L230-F232 VanDerWaalsContact C-N 3.34Å; L230-F232 PolarHBondContact O-N 3.5Å; F232-P234 VanDerWaalsContact CD2-O 3.28Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.81Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.63Å
233	Y	96.3	Very high	97.5	Very high	4 Å²	4	28 Å²	28	2%	0.016	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-150.1	136.3	172.3	179	-85.3	0	0	0	108.7	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.88Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; T55-Y233 PolarHBondContact OG1-OH 2.61Å; R205-Y233 WeakPolarHBondContact O-CD1 3.49Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; D207-Y233 PolarHBondContact N-O 2.95Å; D207-Y233 PolarHBondContact O-N 3.35Å; Y233-R263 HydrophobicContact CD2-CG 3.87Å; Y233-R263 HydrophobicContact CE2-CG 4.06Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.28Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; Y233-H287 PolarHBondContact O-CE1 2.96Å
234	P	95.7	Very high	97.4	Very high	17 Å²	17	32.8 Å²	32.8	11%	0.11	17%	0.168	C	C	.	.	S	Bend	cis	-71.5	-176.1	2.9	30.1	-36.2	0	0	0	114.3	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 VanDerWaalsContact CD2-O 3.28Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-H287 PolarHBondContact O-NE2 3.45Å
235	A	96.8	Very high	97.1	Very high	16 Å²	16	34.2 Å²	34.2	13%	0.132	19%	0.187	C	C	.	.	S	Bend	trans	-72.6	-24.7	-177.6	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.03Å; D54-A235 PolarHBondContact OD2-N 2.89Å; A235-I237 PolarHBondContact O-N 2.68Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-F265 HydrophobicContact CB-CD1 3.79Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.82Å; A235-F265 HydrophobicContact CB-CZ 3.67Å
236	E	96	Very high	97	Very high	121 Å²	121	40.4 Å²	40.4	57%	0.565	22%	0.216	S	C	*	.			trans	-64.5	118.9	179.8	-171.5	59.3	-146.7	0	0	110.1	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.19Å; W23-E236 HydrophobicContact CH2-CG 3.76Å; W23-E236 VanDerWaalsContact CH2-O 3.3Å; W23-E236 WeakPolarHBondContact CH2-O 3.42Å; W23-E236 HydrophobicContact CZ2-CG 3.87Å; W23-E236 HydrophobicContact CZ3-CG 4.43Å; P234-E236 VanDerWaalsContact C-N 3.32Å; E236-H287 PolarHBondContact O-CD2 3Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237	I	96.9	Very high	96.8	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.051	23%	0.231	C	C	.	.			trans	-154.5	141.7	-178.7	-163.6	171.3	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 2.68Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å
238	T	97.4	Very high	96.6	Very high	51 Å²	51	43.5 Å²	43.5	31%	0.313	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	173.8	-60.6	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.09Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.24Å
239	L	97.8	Very high	96.2	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.7	172.7	-86.7	64	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.36Å
240	T	97.4	Very high	95.7	Very high	36 Å²	36	55.3 Å²	55.3	22%	0.221	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.5	178.7	48	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.09Å; T240-C283 CarbonylContact O-C 3.46Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; T240-H284 PolarHBondContact N-O 2.85Å; T240-H284 PolarHBondContact O-N 2.84Å; T240-H284 WeakPolarHBondContact OG1-CB 3.38Å
241	W	98.1	Very high	95.1	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.6	170.5	-83.1	104	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.83Å; W241-A269 PolarHBondContact NE1-O 3.14Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.46Å; W241-V271 HydrophobicContact CD2-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.86Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å
242	Q	97.8	Very high	95	Very high	41 Å²	41	58.5 Å²	58.5	19%	0.192	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	172.5	-68.3	-173.1	-9.6	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.92Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.05Å; Q242-T282 PolarHBondContact N-O 3.21Å; Q242-T282 PolarHBondContact O-N 2.83Å; Q242-H284 PolarHBondContact OE1-CE1 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å
243	R	97.2	Very high	95	Very high	84 Å²	84	63.9 Å²	63.9	32%	0.317	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118	168.1	-172.7	-177.2	79.2	-175.4	-1	108.6	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.11Å; R243-E246 PolarHBondContact N-O 3.07Å; R243-E246 PolarHBondContact O-N 3.14Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-R280 WeakPolarHBondContact CA-O 3.09Å; R243-R280 HydrophobicContact CG-CB 4.32Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 VanDerWaalsContact CD-CZ 3.44Å; R243-Y281 VanDerWaalsContact CD-OH 3.24Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å
244	D	95.2	Very high	95	Very high	101 Å²	101	67.9 Å²	67.9	54%	0.54	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	28.5	-175.3	-54.3	-47.4	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 WeakPolarHBondContact OD1-CB 3.32Å; D244-R280 IonicContact OD1-NE 3.44Å; D244-R280 PolarHBondContact OD1-NE 2.82Å; D244-R280 IonicContact OD2-CZ 3.71Å; D244-R280 IonicContact OD2-NE 2.98Å; D244-R280 PolarHBondContact OD2-NE 2.87Å; D244-R280 IonicContact OD2-NH2 2.64Å; D244-R280 PolarHBondContact OD2-NH2 3.08Å
245	G	91.6	Very high	95	Very high	50 Å²	50	68.7 Å²	68.7	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-0.2	-177.5	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.11Å
246	E	95.3	Very high	95	Very high	130 Å²	130	75.6 Å²	75.6	61%	0.607	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.9	175.6	-63.2	-174	164.3	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; R243-E246 PolarHBondContact N-O 3.07Å; R243-E246 PolarHBondContact O-N 3.14Å; E246-Q248 PolarHBondContact O-NE2 2.63Å
247	D	94.9	Very high	95.1	Very high	97 Å²	97	71.9 Å²	71.9	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.3	-179.7	-67.3	-24	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.92Å
248	Q	94.4	Very high	95.1	Very high	21 Å²	21	76 Å²	76	10%	0.098	39%	0.394	C	S	.	.			trans	-105.9	33.8	-177.5	-58.1	-59.1	-66.6	0	0	112.5	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.83Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.63Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.99Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q248-D251 PolarHBondContact O-N 3.17Å; Q248-D251 VanDerWaalsContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 3.44Å; Q248-T252 PolarHBondContact O-OG1 3.33Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	88.6	Confident	95.1	Very high	105 Å²	105	78.1 Å²	78.1	64%	0.644	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.4	-169	-50.8	0	0	0	0	114.2
250	Q	88.4	Confident	95	Very high	191 Å²	191	80.1 Å²	80.1	89%	0.893	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-31	-179.3	-66.5	-174.4	2	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.99Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å
251	D	86.9	Confident	94.8	Very high	120 Å²	120	82 Å²	82	64%	0.642	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.9	-177.6	-57.6	-51.4	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.17Å; Q248-D251 VanDerWaalsContact O-N 3.11Å
252	T	94.8	Very high	94.5	Very high	23 Å²	23	87 Å²	87	14%	0.141	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.6	179.3	-61.7	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 3.44Å; Q248-T252 PolarHBondContact O-OG1 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.42Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; T252-V271 HydrophobicContact CG2-CG1 4.32Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å
253	E	96.7	Very high	94.2	Very high	113 Å²	113	88 Å²	88	53%	0.528	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.2	163.4	-173.7	-174.1	-171.6	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.32Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.78Å; E253-A270 PolarHBondContact O-N 3.23Å
254	L	96.6	Very high	94.2	Very high	89 Å²	89	84.8 Å²	84.8	47%	0.466	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.5	177.8	-174	68	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.42Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.5	Very high	94.3	Very high	33 Å²	33	81.2 Å²	81.2	20%	0.2	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-85.5	153.7	175.1	-64.8	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.27Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.29Å
256	E	96.8	Very high	94.6	Very high	161 Å²	161	81 Å²	81	75%	0.752	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-57.9	146.5	168.2	-70.2	-58.7	159.4	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.42Å
257	T	97.9	Very high	94.8	Very high	43 Å²	43	75.6 Å²	75.6	26%	0.264	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67.2	128.9	175.4	-56.6	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
258	R	97.3	Very high	95	Very high	98 Å²	98	72.1 Å²	72.1	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144	-174.4	69.6	-168.1	-178.4	-167.9	1.3	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.42Å; R258-F265 WeakPolarHBondContact O-CA 3.43Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.21Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.23Å
259	P	97.2	Very high	95.1	Very high	94 Å²	94	71.1 Å²	71.1	61%	0.61	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.8	178.7	29	-34.7	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	96.3	Very high	95.6	Very high	50 Å²	50	66.2 Å²	66.2	41%	0.413	36%	0.356	S	S	.	.			trans	-88.6	-16.2	172.8	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.28Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.79Å
261	G	92.4	Very high	96	Very high	77 Å²	77	57.3 Å²	57.3	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	96.2	-5	179.3	0	0	0	0	0	114.6
262	D	92.1	Very high	96.6	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	31%	0.307	S	S	*	.	S	Bend	trans	-116.9	32.5	-179.2	64.8	-5.8	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.28Å; D262-T264 PolarHBondContact O-N 2.74Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 3.23Å; D262-T264 VanDerWaalsContact OD1-N 3.14Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
263	R	91.4	Very high	96.6	Very high	61 Å²	61	54.2 Å²	54.2	23%	0.23	30%	0.3	C	S	.	.	S	Bend	trans	74.3	-22.4	-169.3	-177.9	-174.8	172.9	-145.1	-9.7	115.1	T202 Y233 F265	T202-R263 VanDerWaalsContact CA-NH1 3.34Å; T202-R263 VanDerWaalsContact CB-NH1 3.34Å; T202-R263 VanDerWaalsContact O-CZ 3.29Å; T202-R263 PolarHBondContact O-NH1 2.87Å; T202-R263 PolarHBondContact O-NH2 2.85Å; Y233-R263 HydrophobicContact CD2-CG 3.87Å; Y233-R263 HydrophobicContact CE2-CG 4.06Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.28Å; R263-F265 WeakPolarHBondContact O-CE2 3.21Å
264	T	96.6	Very high	96.6	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.104	29%	0.29	C	S	.	.			trans	-84.6	168	-177.8	75.3	0	0	0	0	113.1	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.79Å; D262-T264 PolarHBondContact O-N 2.74Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 3.23Å; D262-T264 VanDerWaalsContact OD1-N 3.14Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
265	F	98.3	Very high	96.5	Very high	26 Å²	26	49.6 Å²	49.6	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	163.9	179.8	-64.8	-87.9	0	0	0	112	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 3.11Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.81Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; A235-F265 HydrophobicContact CB-CD1 3.79Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.82Å; A235-F265 HydrophobicContact CB-CZ 3.67Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.43Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.21Å
266	Q	98.3	Very high	96.2	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.21	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.5	174.1	40.9	165.8	-17.2	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.21Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.23Å
267	K	98.5	Very high	96.2	Very high	16 Å²	16	46.4 Å²	46.4	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.9	176.4	-161.3	-176.4	-171.4	69.4	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.91Å; A229-K267 PolarHBondContact O-N 3.36Å; A229-K267 VanDerWaalsContact O-O 3.11Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.27Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
268	W	98.3	Very high	96	Very high	24 Å²	24	45.3 Å²	45.3	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156	169.5	59.5	-99.2	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.11Å; C227-W268 WeakPolarHBondContact O-CB 3.27Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.32Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.29Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
269	A	98.3	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.5	174.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.24Å; C227-A269 PolarHBondContact N-O 2.91Å; C227-A269 PolarHBondContact O-N 3.45Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.14Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	98	Very high	95.9	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.5	-179.6	0	0	0	0	0	112.5	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.18Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.17Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.78Å; E253-A270 PolarHBondContact O-N 3.23Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
271	V	97.9	Very high	96	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	174.7	-72.4	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.48Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 3.13Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.46Å; W241-V271 HydrophobicContact CD2-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.4Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.86Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; T252-V271 HydrophobicContact CG2-CG1 4.32Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.11Å
272	V	97.6	Very high	96.2	Very high	77 Å²	77	39.8 Å²	39.8	47%	0.467	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128	168.8	-178.9	0	0	0	0	107.8	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.99Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å
273	V	96.6	Very high	96.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.6	-175.9	-52.8	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.24Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.01Å; A223-V273 PolarHBondContact O-N 3.4Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	96.4	Very high	96.8	Very high	48 Å²	48	33.5 Å²	33.5	31%	0.312	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.9	170.8	-20.2	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; P274-G276 PolarHBondContact O-N 2.76Å; P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.35Å; P274-E277 PolarHBondContact O-N 2.89Å
275	S	93	Very high	96.9	Very high	57 Å²	57	32.7 Å²	32.7	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.9	175	-63.7	0	0	0	0	110.8	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.04Å; H221-S275 PolarHBondContact O-N 2.98Å; H221-S275 PolarHBondContact O-OG 2.86Å; E222-S275 PolarHBondContact N-OG 3.47Å; S275-E278 WeakPolarHBondContact CA-OE1 3.39Å
276	G	91.8	Very high	96.8	Very high	67 Å²	67	34.9 Å²	34.9	69%	0.691	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-7.2	-178.6	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 2.76Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 3.42Å
277	E	95.4	Very high	96.7	Very high	60 Å²	60	33.2 Å²	33.2	28%	0.28	19%	0.185	S	C	.	.			trans	-99	3.6	175.5	-64.1	-162.5	-174.5	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.35Å; P274-E277 PolarHBondContact O-N 2.89Å; E277-Q279 PolarHBondContact O-N 2.88Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 PolarHBondContact OE1-NH1 3.09Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.86Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å
278	E	94.9	Very high	96.5	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.098	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.8	-170.5	-56.7	82.3	179.6	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.76Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.39Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 3.42Å; E278-R280 PolarHBondContact O-N 2.9Å; E278-Y281 PolarHBondContact O-N 2.85Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.7Å
279	Q	95.1	Very high	96.2	Very high	87 Å²	87	36.1 Å²	36.1	41%	0.407	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.3	-15.1	-179.6	-63.7	-57.1	-47.7	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.88Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.42Å
280	R	96.6	Very high	96.1	Very high	95 Å²	95	37.3 Å²	37.3	36%	0.358	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-77.6	-16.6	173.2	-64.1	172.3	65.4	-174.1	6.5	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.09Å; R243-R280 HydrophobicContact CG-CB 4.32Å; D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 WeakPolarHBondContact OD1-CB 3.32Å; D244-R280 IonicContact OD1-NE 3.44Å; D244-R280 PolarHBondContact OD1-NE 2.82Å; D244-R280 IonicContact OD2-CZ 3.71Å; D244-R280 IonicContact OD2-NE 2.98Å; D244-R280 PolarHBondContact OD2-NE 2.87Å; D244-R280 IonicContact OD2-NH2 2.64Å; D244-R280 PolarHBondContact OD2-NH2 3.08Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 PolarHBondContact OE1-NH1 3.09Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.86Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E278-R280 PolarHBondContact O-N 2.9Å
281	Y	97.5	Very high	95.8	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.8	-178.4	-66.9	-98.8	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.05Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 VanDerWaalsContact CD-CZ 3.44Å; R243-Y281 VanDerWaalsContact CD-OH 3.24Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.11Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å; E278-Y281 PolarHBondContact O-N 2.85Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.9	Very high	95.6	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.3	175.5	46.7	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.21Å; Q242-T282 PolarHBondContact O-N 2.83Å; T282-H284 PolarHBondContact O-CD2 3.38Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.1	Very high	95.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.5	169.6	174.3	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.39Å; T240-C283 CarbonylContact O-C 3.46Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.23Å; C283-L296 PolarHBondContact O-N 3.21Å
284	H	97.8	Very high	95.5	Very high	35 Å²	35	54 Å²	54	16%	0.162	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.1	177.4	-64.6	-110.9	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 2.85Å; T240-H284 PolarHBondContact O-N 2.84Å; T240-H284 WeakPolarHBondContact OG1-CB 3.38Å; Q242-H284 PolarHBondContact OE1-CE1 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å; T282-H284 PolarHBondContact O-CD2 3.38Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.37Å; H284-T295 PolarHBondContact ND1-OG1 3.19Å
285	V	98.1	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.9	-177.9	-173.7	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.36Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; V285-P293 WeakPolarHBondContact O-CA 3.43Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.04Å; V285-L294 PolarHBondContact O-N 3.17Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
286	Q	97.5	Very high	95.8	Very high	73 Å²	73	54.5 Å²	54.5	34%	0.341	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.8	174.7	-51.8	-177.2	20.3	0	0	109.7	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.24Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
287	H	96.1	Very high	96	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.046	29%	0.292	C	S	.	.			trans	-161.5	151.6	-177	-176.1	-94.1	0	0	0	110	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.9Å; P209-H287 HydrophobicContact CG-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.63Å; Y233-H287 PolarHBondContact O-CE1 2.96Å; P234-H287 PolarHBondContact O-NE2 3.45Å; E236-H287 PolarHBondContact O-CD2 3Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å; H287-G289 VanDerWaalsContact C-N 3.33Å; H287-G289 PolarHBondContact ND1-N 3Å; H287-G289 PolarHBondContact O-N 2.65Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.19Å
288	E	93.1	Very high	96	Very high	79 Å²	79	57.5 Å²	57.5	37%	0.369	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-44.5	-175.6	-155.6	176.2	141.1	0	0	112.3	W23 A206 L290	W23-E288 HydrophobicContact CB-CG 4.29Å; W23-E288 HydrophobicContact CE3-CB 3.38Å; W23-E288 HydrophobicContact CE3-CG 3.91Å; W23-E288 HydrophobicContact CZ3-CB 3.78Å; W23-E288 WeakPolarHBondContact O-CG 3.24Å; W23-E288 VanDerWaalsContact O-OE1 3.07Å; A206-E288 HydrophobicContact CB-CB 4.14Å; A206-E288 HydrophobicContact CB-CG 4.46Å; E288-L290 PolarHBondContact O-N 3.08Å
289	G	93.3	Very high	95.7	Very high	21 Å²	21	64.4 Å²	64.4	22%	0.216	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8	179	0	0	0	0	0	113.6	H287	H287-G289 VanDerWaalsContact C-N 3.33Å; H287-G289 PolarHBondContact ND1-N 3Å; H287-G289 PolarHBondContact O-N 2.65Å
290	L	94.9	Very high	95.1	Very high	26 Å²	26	64 Å²	64	14%	0.136	33%	0.325	C	S	.	.			trans	-97.6	122.5	176.3	-63.6	172	0	0	0	110.4	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.87Å; P208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.19Å; E288-L290 PolarHBondContact O-N 3.08Å; L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.06Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.48Å
291	P	92.6	Very high	93.4	Very high	131 Å²	131	64.3 Å²	64.3	85%	0.851	34%	0.341	S	S	*	.	S	Bend	trans	-66.3	-22.6	177.7	27.7	-35.2	0	0	0	112.7
292	K	93.3	Very high	91	Very high	164 Å²	164	69.2 Å²	69.2	71%	0.713	38%	0.377	S	S	*	.	S	Bend	trans	-145.7	148.9	173.5	-65	-176.2	-177.7	177.2	0	109.1	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.06Å; K292-L294 PolarHBondContact O-N 3.34Å
293	P	95.6	Very high	88.5	Confident	79 Å²	79	76.6 Å²	76.6	51%	0.513	41%	0.41	S	S	.	.			trans	-51.3	140.4	171	-28.3	36.6	0	0	0	112	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.43Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
294	L	96.8	Very high	85.8	Confident	59 Å²	59	81.1 Å²	81.1	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.2	173.7	-64	177.6	0	0	0	110	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.32Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.04Å; V285-L294 PolarHBondContact O-N 3.17Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; K292-L294 PolarHBondContact O-N 3.34Å
295	T	97.7	Very high	83.4	Confident	82 Å²	82	85.4 Å²	85.4	50%	0.503	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.6	170.3	-58.6	0	0	0	0	108.4	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; H284-T295 PolarHBondContact CE1-OG1 3.37Å; H284-T295 PolarHBondContact ND1-OG1 3.19Å
296	L	96.8	Very high	81.3	Confident	35 Å²	35	89 Å²	89	18%	0.183	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.3	-174.6	-59.7	155.8	0	0	0	109.5	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.23Å; C283-L296 PolarHBondContact O-N 3.21Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
297	R	95.9	Very high	79.3	Confident	144 Å²	144	89.4 Å²	89.4	54%	0.543	50%	0.502	S	S	.	.			trans	-118.2	160.8	166.9	-70.4	-175.5	177.1	171.9	-2.8	108.9	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 2.87Å
298	W	95.7	Very high	77.6	Confident	45 Å²	45	94.8 Å²	94.8	17%	0.17	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-68.6	120.7	167.4	171.2	56.4	0	0	0	109.6	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.73Å; H215-W298 AromaticContact CG-CZ2 3.71Å; H215-W298 AromaticContact ND1-CZ2 3.9Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.33Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.7Å; Q279-W298 PolarHBondContact NE2-O 3.42Å; W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å
299	E	89.4	Confident	76.1	Confident	166 Å²	166	96.8 Å²	96.8	78%	0.776	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-98.8	119	168.5	-70.9	-177.9	174.3	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 2.87Å; E299-S301 PolarHBondContact O-N 3.34Å; E299-S301 VanDerWaalsContact O-N 3.08Å
300	P	81.5	Confident	74.8	Confident	80 Å²	80	97.9 Å²	97.9	52%	0.519	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.5	120	170	-19.7	30.5	0	0	0	107.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å; P300-S302 PolarHBondContact O-N 2.9Å
301	S	62	Low	73.8	Confident	100 Å²	100	101.1 Å²	101.1	70%	0.699	57%	0.574	S	S	*	*			trans	-50.3	112.2	-179.7	47.1	0	0	0	0	108.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.34Å; E299-S301 VanDerWaalsContact O-N 3.08Å; S301-Q303 PolarHBondContact O-N 2.98Å
302	S	47.4	Very low	73	Confident	112 Å²	112	99.2 Å²	99.2	78%	0.783	56%	0.56	S	S	*	*			trans	-66.7	83	162.7	59.3	0	0	0	0	105.2	P300 S304	P300-S302 PolarHBondContact O-N 2.9Å; S302-S304 PolarHBondContact O-N 2.79Å
303	Q	45.2	Very low	72.1	Confident	167 Å²	167	93.9 Å²	93.9	78%	0.78	55%	0.546	S	S	*	.			trans	-55.5	95.1	150.1	-81.8	-173.1	-8.5	0	0	103.5	S301 T305	S301-Q303 PolarHBondContact O-N 2.98Å; Q303-T305 PolarHBondContact O-N 3.12Å; Q303-T305 PolarHBondContact O-OG1 3.37Å
304	S	42.1	Very low	71.5	Confident	95 Å²	95	91.9 Å²	91.9	66%	0.664	54%	0.54	S	S	*	.			trans	-48.8	100.9	166	171.3	0	0	0	0	103.4	S302 V306	S302-S304 PolarHBondContact O-N 2.79Å; S304-V306 PolarHBondContact O-N 2.96Å
305	T	47.3	Very low	71	Confident	126 Å²	126	94.3 Å²	94.3	77%	0.773	55%	0.553	S	S	*	*			trans	-71	75.3	167.2	-48.5	0	0	0	0	102.1	Q303 P307	Q303-T305 PolarHBondContact O-N 3.12Å; Q303-T305 PolarHBondContact O-OG1 3.37Å; T305-P307 WeakPolarHBondContact O-CD 3.41Å
306	V	53.8	Low	70.3	Confident	74 Å²	74	93 Å²	93	45%	0.448	55%	0.551	S	S	.	*			trans	-45.6	120.5	158.5	178	0	0	0	0	102.1	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.96Å; V306-I308 WeakPolarHBondContact O-CG1 3.36Å; V306-I308 PolarHBondContact O-N 3.45Å; V306-I311 HydrophobicContact CG1-CD1 3.99Å
307	P	55	Low	69.7	Low	83 Å²	83	95.9 Å²	95.9	54%	0.539	57%	0.569	S	S	.	*			trans	-71.4	83.7	-171.5	28.2	-32.6	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.41Å; P307-V309 PolarHBondContact O-N 3.47Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.84Å; P307-I311 PolarHBondContact O-N 2.81Å; P307-I311 VanDerWaalsContact O-N 3.08Å
308	I	60.1	Low	69.3	Low	123 Å²	123	94.3 Å²	94.3	63%	0.631	57%	0.571	S	S	*	*	H	α-helix	trans	-55.4	-34.8	175.6	-67.5	168.4	0	0	0	107.5	V306 G310 I311 V312	V306-I308 WeakPolarHBondContact O-CG1 3.36Å; V306-I308 PolarHBondContact O-N 3.45Å; I308-G310 PolarHBondContact O-N 3.38Å; I308-I311 PolarHBondContact O-N 2.93Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.16Å
309	V	61.6	Low	68.7	Low	121 Å²	121	94.6 Å²	94.6	73%	0.733	58%	0.583	S	S	*	*	H	α-helix	trans	-59.2	-41.2	171.1	-176.4	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.47Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 2.93Å
310	G	65.7	Low	68.6	Low	43 Å²	43	91.7 Å²	91.7	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-69.3	-38.7	178.4	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.84Å; I308-G310 PolarHBondContact O-N 3.38Å; G310-G314 PolarHBondContact O-N 3.38Å
311	I	73.4	Confident	68.9	Low	95 Å²	95	92.2 Å²	92.2	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-69.3	-43.8	176.1	-61.8	174	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.99Å; P307-I311 PolarHBondContact O-N 2.81Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 2.93Å; I311-G314 PolarHBondContact O-N 3.26Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.87Å
312	V	75.8	Confident	70	Confident	90 Å²	90	91.2 Å²	91.2	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-43.4	178.1	172.5	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.16Å; V312-L315 PolarHBondContact O-N 3.49Å; V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 2.95Å
313	A	76.3	Confident	71.8	Confident	52 Å²	52	91.1 Å²	91.1	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-63	-43	175.1	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 2.93Å; A313-A316 PolarHBondContact O-N 2.64Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.8Å
314	G	82.1	Confident	73.6	Confident	37 Å²	37	85.1 Å²	85.1	38%	0.381	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-45.5	176.2	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.38Å; I311-G314 PolarHBondContact O-N 3.26Å; G314-V317 PolarHBondContact O-N 3.01Å; G314-L318 WeakPolarHBondContact O-CB 3.37Å; G314-L318 PolarHBondContact O-N 2.86Å
315	L	85.2	Confident	75.5	Confident	111 Å²	111	83.3 Å²	83.3	58%	0.581	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-38.7	177.3	-73.2	171.3	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.87Å; V312-L315 PolarHBondContact O-N 3.49Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.84Å
316	A	83.4	Confident	77.2	Confident	55 Å²	55	81.2 Å²	81.2	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-43.8	176.7	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 2.95Å; A313-A316 PolarHBondContact O-N 2.64Å; A316-A319 PolarHBondContact O-N 3Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.01Å; A316-V320 VanDerWaalsContact O-N 3.07Å
317	V	85.6	Confident	78.5	Confident	95 Å²	95	81.3 Å²	81.3	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-44.1	176	174.1	0	0	0	0	110.7	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.8Å; G314-V317 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.39Å; V317-V320 PolarHBondContact O-N 3.27Å; V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.26Å; V317-V321 PolarHBondContact O-N 3.41Å
318	L	85.8	Confident	79.5	Confident	111 Å²	111	79.9 Å²	79.9	58%	0.581	51%	0.513	S	S	*	.	H	α-helix	trans	-60	-43.4	176.8	-115.4	152.8	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.37Å; G314-L318 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 3.16Å; L318-V320 PolarHBondContact O-N 3.17Å; L318-V321 PolarHBondContact O-N 3.31Å; L318-V322 HydrophobicContact CD2-CG2 4.43Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.95Å
319	A	84.9	Confident	80.3	Confident	50 Å²	50	76.7 Å²	76.7	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.7	0	0	0	0	0	112	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.84Å; A316-A319 PolarHBondContact O-N 3Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.39Å; A319-V321 PolarHBondContact O-N 2.89Å; A319-V322 PolarHBondContact O-N 3.29Å; A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CD1 3.36Å; A319-I323 WeakPolarHBondContact O-CG1 3.23Å; A319-I323 PolarHBondContact O-N 3.19Å
320	V	86.4	Confident	80.9	Confident	105 Å²	105	74.8 Å²	74.8	64%	0.636	49%	0.494	S	S	*	.	H	α-helix	trans	-63.4	-42.3	177.4	173.5	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.01Å; A316-V320 VanDerWaalsContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 3.27Å; L318-V320 PolarHBondContact O-N 3.17Å; V320-I323 PolarHBondContact O-N 3.37Å; V320-G324 PolarHBondContact O-N 3.25Å
321	V	87.4	Confident	81.3	Confident	92 Å²	92	78.9 Å²	78.9	56%	0.558	50%	0.503	S	S	*	.	H	α-helix	trans	-63.9	-44.1	177.8	172.7	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.26Å; V317-V321 PolarHBondContact O-N 3.41Å; L318-V321 PolarHBondContact O-N 3.31Å; A319-V321 PolarHBondContact O-N 2.89Å; V321-G324 PolarHBondContact O-N 3.42Å; V321-A325 WeakPolarHBondContact O-CB 3.26Å; V321-A325 PolarHBondContact O-N 3.1Å
322	V	85.3	Confident	81	Confident	79 Å²	79	78.7 Å²	78.7	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-45.3	178.4	172.3	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 HydrophobicContact CD2-CG2 4.43Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.95Å; A319-V322 PolarHBondContact O-N 3.29Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.88Å; V322-A325 PolarHBondContact O-N 2.96Å; V322-V326 HydrophobicContact CG1-CG2 4.41Å; V322-V326 VanDerWaalsContact O-CG2 3.27Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 2.97Å
323	I	84.5	Confident	80.5	Confident	109 Å²	109	84 Å²	84	56%	0.559	52%	0.519	S	S	*	.	H	α-helix	trans	-61.4	-45	176.7	-67.1	165.1	0	0	0	110.2	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CD1 3.36Å; A319-I323 WeakPolarHBondContact O-CG1 3.23Å; A319-I323 PolarHBondContact O-N 3.19Å; V320-I323 PolarHBondContact O-N 3.37Å; I323-A325 PolarHBondContact O-N 3.23Å; I323-V326 PolarHBondContact O-N 2.69Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.17Å; I323-V327 PolarHBondContact O-N 2.88Å
324	G	83.6	Confident	79.6	Confident	41 Å²	41	91.3 Å²	91.3	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-59	-44.5	176.3	0	0	0	0	0	112.8	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.25Å; V321-G324 PolarHBondContact O-N 3.42Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.88Å; G324-V327 PolarHBondContact O-N 2.95Å; G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 2.71Å
325	A	82.1	Confident	78.3	Confident	57 Å²	57	98.5 Å²	98.5	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-41.3	177.4	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.26Å; V321-A325 PolarHBondContact O-N 3.1Å; V322-A325 PolarHBondContact O-N 2.96Å; I323-A325 PolarHBondContact O-N 3.23Å; A325-A328 PolarHBondContact O-N 3.38Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.32Å
326	V	82.8	Confident	76.8	Confident	82 Å²	82	97.5 Å²	97.5	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-45.3	176.3	171.7	0	0	0	0	110.7	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.41Å; V322-V326 VanDerWaalsContact O-CG2 3.27Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 2.97Å; I323-V326 PolarHBondContact O-N 2.69Å; V326-A328 PolarHBondContact O-N 3.42Å; V326-A329 PolarHBondContact O-N 2.88Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.46Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 2.73Å
327	V	81.5	Confident	75.2	Confident	76 Å²	76	99.5 Å²	99.5	46%	0.461	57%	0.57	S	S	.	*	H	α-helix	trans	-62	-45	177.1	172.5	0	0	0	0	110.9	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.17Å; I323-V327 PolarHBondContact O-N 2.88Å; G324-V327 PolarHBondContact O-N 2.95Å; V327-A329 PolarHBondContact O-N 2.93Å; V327-V330 PolarHBondContact O-N 2.96Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.19Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 3.41Å
328	A	76.8	Confident	73.3	Confident	53 Å²	53	98.5 Å²	98.5	44%	0.438	58%	0.578	S	S	.	*	H	α-helix	trans	-61.3	-44.1	176.4	0	0	0	0	0	112.1	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 2.71Å; A325-A328 PolarHBondContact O-N 3.38Å; V326-A328 PolarHBondContact O-N 3.42Å; A328-M331 PolarHBondContact O-N 3.38Å; A328-C332 WeakPolarHBondContact O-CB 3.39Å; A328-C332 PolarHBondContact O-N 3.2Å
329	A	75.9	Confident	71.1	Confident	56 Å²	56	96.9 Å²	96.9	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-63.8	-40.8	176.9	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.32Å; V326-A329 PolarHBondContact O-N 2.88Å; V327-A329 PolarHBondContact O-N 2.93Å; A329-C332 PolarHBondContact O-N 2.96Å; A329-R333 WeakPolarHBondContact O-CB 3.13Å; A329-R333 PolarHBondContact O-N 2.77Å
330	V	75.4	Confident	68.8	Low	81 Å²	81	105 Å²	105	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-66	-41.2	175.7	170.6	0	0	0	0	111	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.46Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 2.73Å; V327-V330 PolarHBondContact O-N 2.96Å; V330-R333 PolarHBondContact O-N 3.38Å; V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 2.99Å
331	M	73.5	Confident	66.4	Low	129 Å²	129	103.8 Å²	103.8	64%	0.635	62%	0.623	S	S	*	*	H	α-helix	trans	-65.9	-41.7	175.4	-73.7	-174.8	68.5	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.19Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 3.38Å; M331-R334 PolarHBondContact O-N 3.07Å; M331-K335 WeakPolarHBondContact O-CB 3.29Å; M331-K335 PolarHBondContact O-N 3.24Å
332	C	66.9	Low	63.8	Low	91 Å²	91	103.3 Å²	103.3	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-61.1	-43.6	172.8	-79.9	0	0	0	0	111.6	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.39Å; A328-C332 PolarHBondContact O-N 3.2Å; A329-C332 PolarHBondContact O-N 2.96Å; C332-K335 PolarHBondContact O-N 2.73Å; C332-S336 PolarHBondContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.27Å
333	R	64.6	Low	61.3	Low	202 Å²	202	105.3 Å²	105.3	76%	0.762	65%	0.654	S	S	*	*	H	α-helix	trans	-65.2	-37.8	176.2	-82.8	-170.8	166.9	-176.4	-2.3	113.2	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.13Å; A329-R333 PolarHBondContact O-N 2.77Å; V330-R333 PolarHBondContact O-N 3.38Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.2Å; R333-S336 PolarHBondContact O-N 2.91Å; R333-S336 PolarHBondContact O-OG 3.29Å; R333-S337 PolarHBondContact O-N 3.17Å
334	R	58.3	Low	58.9	Low	206 Å²	206	109.8 Å²	109.8	78%	0.777	67%	0.666	S	S	*	*	H	α-helix	trans	-66.8	-31	173.3	-104.9	-175.6	169.1	-179.9	-2.4	112.7	V330 M331 S337	V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 2.99Å; M331-R334 PolarHBondContact O-N 3.07Å; R334-S337 PolarHBondContact O-OG 2.74Å
335	K	53.9	Low	56.6	Low	187 Å²	187	114 Å²	114	81%	0.813	69%	0.689	S	S	*	*	H	α-helix	trans	-78.5	-25.8	177.5	-161.5	171.1	-179.5	179.2	0	112.7	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.29Å; M331-K335 PolarHBondContact O-N 3.24Å; C332-K335 PolarHBondContact O-N 2.73Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	53.6	Low	54.5	Low	90 Å²	90	119.6 Å²	119.6	63%	0.629	71%	0.705	S	S	*	*	H	α-helix	trans	-86.4	-7.7	176.3	53	0	0	0	0	115.2	C332 R333	C332-S336 PolarHBondContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.27Å; R333-S336 WeakPolarHBondContact CA-OG 3.2Å; R333-S336 PolarHBondContact O-N 2.91Å; R333-S336 PolarHBondContact O-OG 3.29Å
337	S	49.9	Very low	52.1	Low	98 Å²	98	120.6 Å²	120.6	69%	0.685	72%	0.722	S	S	*	*	S	Bend	trans	-95.5	20.9	-179	78.2	0	0	0	0	114.5	R333 R334	R333-S337 PolarHBondContact O-N 3.17Å; R334-S337 PolarHBondContact O-OG 2.74Å
338	G	47.2	Very low	49.9	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	74%	0.737	S	S	*	*	S	Bend	trans	-125.9	71.5	175	0	0	0	0	0	111.4
339	G	37.8	Very low	47.8	Very low	78 Å²	78	123.7 Å²	123.7	80%	0.804	75%	0.748	S	S	*	*			trans	-177.7	111.9	178.5	0	0	0	0	0	113.4
340	K	38.4	Very low	45.8	Very low	220 Å²	220	126.8 Å²	126.8	96%	0.957	77%	0.767	S	S	*	*			trans	-72.6	160.6	-170.7	-141.5	165.4	-178.9	171.8	0	114.3
341	G	35.2	Very low	44	Very low	79 Å²	79	130 Å²	130	81%	0.814	78%	0.781	S	S	*	*			trans	119.7	118.7	142.4	0	0	0	0	0	116.2
342	G	33.6	Very low	42.6	Very low	83 Å²	83	129.9 Å²	129.9	86%	0.856	79%	0.793	S	S	*	*			trans	-97.7	-178.3	179.7	0	0	0	0	0	115.2
343	S	31.8	Very low	41.3	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	80%	0.802	S	S	*	*			trans	172.5	146.5	139.3	-175.7	0	0	0	0	110.2
344	Y	35.2	Very low	40.2	Very low	203 Å²	203	130.4 Å²	130.4	80%	0.796	81%	0.812	S	S	*	*			trans	-52	151.5	175.3	-87.2	-108.7	0	0	0	115.5
345	S	35.2	Very low	39	Very low	129 Å²	129	123.7 Å²	123.7	90%	0.902	81%	0.807	S	S	*	*			trans	-156	117.8	138.1	-66.9	0	0	0	0	109.8
346	Q	37.3	Very low	38.4	Very low	175 Å²	175	120.1 Å²	120.1	82%	0.818	81%	0.805	S	S	*	*			trans	-93.5	139.4	176	175.8	179.4	0.5	0	0	109.3
347	A	33.2	Very low	37.7	Very low	103 Å²	103	122.6 Å²	122.6	85%	0.851	81%	0.812	S	S	*	*			trans	-156.5	122.3	148.1	0	0	0	0	0	111
348	A	34.6	Very low	37.2	Very low	94 Å²	94	123.8 Å²	123.8	78%	0.777	81%	0.814	S	S	*	*			trans	-48.5	172.5	171.9	0	0	0	0	0	115.1
349	C	32	Very low	37	Very low	100 Å²	100	125.2 Å²	125.2	68%	0.676	81%	0.813	S	S	*	*			cis	171.8	139.4	-11.3	170.4	0	0	0	0	104.2
350	S	35	Very low	37.3	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	82%	0.815	S	S	*	*			trans	-159.9	127.9	144.1	-32.2	0	0	0	0	110.8
351	D	37.6	Very low	37.4	Very low	149 Å²	149	125.5 Å²	125.5	80%	0.797	81%	0.811	S	S	*	*			trans	-65.5	151.7	175.3	-76.7	-47.9	0	0	0	114
352	S	43	Very low	37.9	Very low	127 Å²	127	129.9 Å²	129.9	89%	0.888	84%	0.839	S	S	*	*			trans	-157.6	120.6	137.2	-61.8	0	0	0	0	109.2
353	A	39.1	Very low	38.2	Very low	98 Å²	98	132.2 Å²	132.2	81%	0.81	84%	0.838	S	S	*	*			trans	-85.4	143.2	177.4	0	0	0	0	0	112.3
354	Q	42.2	Very low	38.5	Very low	205 Å²	205	132.8 Å²	132.8	96%	0.958	84%	0.838	S	S	*	*			trans	166.4	130.8	149.9	-101.2	172.8	-3	0	0	106
355	G	33.7	Very low	38.7	Very low	65 Å²	65	128.9 Å²	128.9	67%	0.67	84%	0.841	S	S	*	*			cis	160	137.1	8.2	0	0	0	0	0	106.4
356	S	40.4	Very low	38.9	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	84%	0.837	S	S	*	*			trans	74.5	103	149.6	-49	0	0	0	0	120.8
357	D	39.9	Very low	39	Very low	143 Å²	143	126.1 Å²	126.1	77%	0.765	84%	0.838	S	S	*	*				74	119.9	112.1	-71.3	-25.1	0	0	0	124
358	V	39.6	Very low	39.4	Very low	122 Å²	122	127.6 Å²	127.6	74%	0.739	84%	0.837	S	S	*	*				60.3	118.8	118.8	-176.1	0	0	0	0	115.1
359	S	43.2	Very low	39.7	Very low	104 Å²	104	130 Å²	130	73%	0.727	84%	0.842	S	S	*	*				-174.6	145.8	65.3	-43.5	0	0	0	0	111.3
360	L	42.7	Very low	40.3	Very low	162 Å²	162	132.3 Å²	132.3	85%	0.848	85%	0.854	S	S	*	*			trans	-57.2	152.2	152	-81.8	121.2	0	0	0	111.7
361	T	42	Very low	40.8	Very low	142 Å²	142	133.3 Å²	133.3	87%	0.871	86%	0.855	S	S	*	*			trans	-149.3	148.4	132.1	-6.8	0	0	0	0	110.3
362	A	45.8	Very low	41	Very low	170 Å²	170	131.8 Å²	131.8	100%	1.405	86%	0.86	S	S	*	*			trans	-67.2	0	-169.3	0	0	0	0	0	115.2

Retrieved 362 of 362 residues in 106.2 ms (Link to these results)

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