A0A087XTG8_POEFO Loading...

Radial spoke head protein 9 homolog

AlphaFold DB , UniProt , Accession A0A087XTG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	90	Very high	89	Confident	2 Å²	2	38 Å²	38	1%	0.01	20%	0.203	C	C	.	.				0	144.6	0	-60.9	-167.1	172	0	0	110.8	L6 S9 L10 I13 M45 F46 Y249 Y259 I260	M1-L6 HydrophobicContact CB-CD1 3.88Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; M1-S9 VanDerWaalsContact SD-CB 3.56Å; M1-L10 HydrophobicContact SD-CD2 3.95Å; M1-L10 HydrophobicContact SD-CG 4.38Å; M1-I13 HydrophobicContact CE-CB 4.38Å; M1-I13 HydrophobicContact CE-CD1 3.43Å; M1-I13 VanDerWaalsContact CE-CD1 3.43Å; M1-I13 HydrophobicContact CE-CG1 3.83Å; M1-I13 HydrophobicContact CE-CG2 3.7Å; M1-M45 CarbonylContact O-C 3.59Å; M1-M45 WeakPolarHBondContact O-CA 3.5Å; M1-F46 PolarHBondContact N-O 2.96Å; M1-F46 PolarHBondContact O-N 2.86Å; M1-Y249 HydrophobicContact CE-CD1 3.68Å; M1-Y249 HydrophobicContact CE-CE1 3.52Å; M1-Y249 HydrophobicContact CG-CE1 4.24Å; M1-Y249 HydrophobicContact SD-CE1 4.07Å; M1-Y259 WeakPolarHBondContact CG-O 3.48Å; M1-Y259 PolarHBondContact N-O 2.85Å; M1-I260 HydrophobicContact CE-CB 4.05Å; M1-I260 HydrophobicContact CE-CG2 4.19Å
2	D	91.6	Very high	88.9	Confident	20 Å²	20	38.8 Å²	38.8	11%	0.107	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-72.4	136.9	179.9	-165.5	-48	0	0	0	111.7	N4 S5 L6 R43 M45	D2-N4 PolarHBondContact O-N 2.78Å; D2-N4 PolarHBondContact OD1-N 3.16Å; D2-S5 PolarHBondContact O-N 3.32Å; D2-S5 VanDerWaalsContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.37Å; D2-L6 PolarHBondContact O-N 2.76Å; D2-R43 IonicContact OD2-CZ 3.84Å; D2-R43 VanDerWaalsContact OD2-CZ 3.24Å; D2-R43 IonicContact OD2-NE 2.72Å; D2-R43 PolarHBondContact OD2-NE 3.41Å; D2-R43 IonicContact OD2-NH2 3.51Å; D2-R43 PolarHBondContact OD2-NH2 2.77Å; D2-M45 VanDerWaalsContact CA-SD 3.52Å; D2-M45 HydrophobicContact CB-CE 4.1Å; D2-M45 HydrophobicContact CB-SD 3.84Å
3	S	90.9	Very high	88.6	Confident	18 Å²	18	36 Å²	36	13%	0.126	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-39	174.8	58.4	0	0	0	0	113.8	S5 V44	S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 2.99Å; S3-V44 VanDerWaalsContact CB-O 3.3Å; S3-V44 WeakPolarHBondContact CB-O 3.02Å; S3-V44 PolarHBondContact N-O 3.35Å; S3-V44 PolarHBondContact OG-O 3.4Å
4	N	89.6	Confident	88.2	Confident	121 Å²	121	36.4 Å²	36.4	65%	0.647	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.7	-177.4	-68.3	-30.5	0	0	0	112.9	D2	D2-N4 PolarHBondContact O-N 2.78Å; D2-N4 PolarHBondContact OD1-N 3.16Å
5	S	89.8	Confident	87.4	Confident	15 Å²	15	39.8 Å²	39.8	11%	0.105	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.1	-176.8	67.7	0	0	0	0	113.2	D2 S3 S7 Y8 S9	D2-S5 PolarHBondContact O-N 3.32Å; D2-S5 VanDerWaalsContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.37Å; S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 2.99Å; S5-S7 PolarHBondContact O-N 2.9Å; S5-S7 VanDerWaalsContact O-N 3.12Å; S5-Y8 WeakPolarHBondContact CB-OH 3.23Å; S5-Y8 WeakPolarHBondContact O-CD1 3.14Å; S5-Y8 PolarHBondContact O-N 2.93Å; S5-S9 VanDerWaalsContact C-OG 3.25Å; S5-S9 WeakPolarHBondContact CB-OG 3.32Å; S5-S9 VanDerWaalsContact O-CB 3.28Å; S5-S9 WeakPolarHBondContact O-CB 3.5Å; S5-S9 PolarHBondContact O-N 3.16Å; S5-S9 PolarHBondContact O-OG 2.83Å; S5-S9 PolarHBondContact OG-OG 3.45Å; S5-S9 VanDerWaalsContact OG-OG 3.04Å
6	L	88.3	Confident	86.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-36.9	-167.2	-173.6	65.5	0	0	0	113	M1 D2 Y8 S9 L10 L28 M32 F46	M1-L6 HydrophobicContact CB-CD1 3.88Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; D2-L6 PolarHBondContact O-N 2.76Å; L6-Y8 PolarHBondContact O-N 3.13Å; L6-S9 PolarHBondContact O-N 3.4Å; L6-L10 HydrophobicContact CD1-CD1 4.16Å; L6-L10 HydrophobicContact CD1-CD2 4.26Å; L6-L10 HydrophobicContact CD1-CG 4.02Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.12Å; L6-L28 HydrophobicContact CD2-CB 3.84Å; L6-L28 HydrophobicContact CD2-CD1 4.33Å; L6-M32 HydrophobicContact CD2-CE 4.12Å; L6-M32 HydrophobicContact CD2-SD 3.81Å; L6-F46 HydrophobicContact CD1-CB 3.89Å; L6-F46 HydrophobicContact CD1-CD1 4.2Å; L6-F46 HydrophobicContact CD1-CG 4.41Å; L6-F46 HydrophobicContact CD2-CB 4.3Å
7	S	85	Confident	86	Confident	51 Å²	51	40.6 Å²	40.6	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-53.2	-51.8	-177.4	55.3	0	0	0	0	112.7	S5 R25 Q29	S5-S7 PolarHBondContact O-N 2.9Å; S5-S7 VanDerWaalsContact O-N 3.12Å; S7-R25 PolarHBondContact O-NH2 2.68Å; S7-Q29 VanDerWaalsContact CB-NE2 3.27Å
8	Y	86.6	Confident	85.4	Confident	94 Å²	94	43.9 Å²	43.9	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-92.1	-25.4	-179.8	58	-95.4	0	0	0	113	S5 L6 L10 D11 F12	S5-Y8 WeakPolarHBondContact CB-OH 3.23Å; S5-Y8 WeakPolarHBondContact O-CD1 3.14Å; S5-Y8 PolarHBondContact O-N 2.93Å; L6-Y8 PolarHBondContact O-N 3.13Å; Y8-L10 PolarHBondContact O-N 2.65Å; Y8-D11 WeakPolarHBondContact O-CB 3.41Å; Y8-D11 PolarHBondContact O-N 2.96Å; Y8-F12 AromaticContact CD2-CE2 3.94Å; Y8-F12 HydrophobicContact CD2-CE2 3.94Å
9	S	89.6	Confident	85.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-33.4	-179.7	-58.7	0	0	0	0	112.3	M1 S5 L6 D11 F12 Y249	M1-S9 VanDerWaalsContact SD-CB 3.56Å; S5-S9 VanDerWaalsContact C-OG 3.25Å; S5-S9 WeakPolarHBondContact CB-OG 3.32Å; S5-S9 VanDerWaalsContact O-CB 3.28Å; S5-S9 WeakPolarHBondContact O-CB 3.5Å; S5-S9 PolarHBondContact O-N 3.16Å; S5-S9 PolarHBondContact O-OG 2.83Å; S5-S9 PolarHBondContact OG-OG 3.45Å; S5-S9 VanDerWaalsContact OG-OG 3.04Å; L6-S9 PolarHBondContact O-N 3.4Å; S9-D11 VanDerWaalsContact C-N 3.27Å; S9-D11 PolarHBondContact O-N 3.27Å; S9-F12 PolarHBondContact O-N 3.37Å; S9-Y249 WeakPolarHBondContact CB-OH 2.87Å; S9-Y249 PolarHBondContact OG-OH 2.93Å
10	L	89.6	Confident	85.6	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-25.3	176.1	-69.8	172.7	0	0	0	113.1	M1 L6 Y8 I13 A14 L20 R25 I260	M1-L10 HydrophobicContact SD-CD2 3.95Å; M1-L10 HydrophobicContact SD-CG 4.38Å; L6-L10 HydrophobicContact CD1-CD1 4.16Å; L6-L10 HydrophobicContact CD1-CD2 4.26Å; L6-L10 HydrophobicContact CD1-CG 4.02Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.12Å; Y8-L10 PolarHBondContact O-N 2.65Å; L10-I13 HydrophobicContact CD2-CD1 4.03Å; L10-I13 WeakPolarHBondContact O-CG1 3.23Å; L10-I13 PolarHBondContact O-N 2.85Å; L10-A14 PolarHBondContact O-N 2.59Å; L10-L20 HydrophobicContact CD1-CD1 4.01Å; L10-L20 HydrophobicContact CD2-CD1 4.29Å; L10-R25 HydrophobicContact CD1-CG 3.78Å; L10-I260 HydrophobicContact CD2-CD1 3.98Å
11	D	88.4	Confident	85.8	Confident	85 Å²	85	47.1 Å²	47.1	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-74.6	-31.1	179.8	-59.9	-32.4	0	0	0	111	Y8 S9 I13 A14 R25	Y8-D11 WeakPolarHBondContact O-CB 3.41Å; Y8-D11 PolarHBondContact O-N 2.96Å; S9-D11 VanDerWaalsContact C-N 3.27Å; S9-D11 PolarHBondContact O-N 3.27Å; D11-I13 PolarHBondContact O-N 3.19Å; D11-A14 WeakPolarHBondContact O-CB 3.31Å; D11-A14 PolarHBondContact O-N 2.78Å; D11-R25 IonicContact OD1-CZ 3.74Å; D11-R25 IonicContact OD1-NH1 3.47Å; D11-R25 PolarHBondContact OD1-NH1 3.01Å; D11-R25 IonicContact OD1-NH2 2.67Å; D11-R25 PolarHBondContact OD1-NH2 3.42Å; D11-R25 IonicContact OD2-NH2 3.76Å
12	F	87	Confident	85.8	Confident	48 Å²	48	53.8 Å²	53.8	21%	0.211	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-23.2	176.1	-66	-49.9	0	0	0	114	Y8 S9 V235 Y249 V251	Y8-F12 AromaticContact CD2-CE2 3.94Å; Y8-F12 HydrophobicContact CD2-CE2 3.94Å; S9-F12 PolarHBondContact O-N 3.37Å; F12-V235 HydrophobicContact CB-CG1 4.29Å; F12-V235 HydrophobicContact CD1-CG2 3.64Å; F12-V235 HydrophobicContact CE1-CG2 4.1Å; F12-V235 HydrophobicContact CG-CG2 4.41Å; F12-Y249 HydrophobicContact CB-CD2 3.92Å; F12-Y249 HydrophobicContact CB-CE2 4.48Å; F12-Y249 HydrophobicContact CB-CG 4.05Å; F12-Y249 AromaticContact CD2-CD2 3.77Å; F12-Y249 HydrophobicContact CD2-CD2 3.77Å; F12-Y249 AromaticContact CD2-CE2 3.59Å; F12-Y249 HydrophobicContact CD2-CE2 3.59Å; F12-Y249 HydrophobicContact CE2-CE2 4.23Å; F12-Y249 HydrophobicContact CG-CD2 4.12Å; F12-Y249 HydrophobicContact CG-CE2 4.39Å; F12-V251 HydrophobicContact CD1-CG2 4.46Å; F12-V251 HydrophobicContact CD2-CG2 4.27Å; F12-V251 HydrophobicContact CE1-CG2 4.08Å; F12-V251 HydrophobicContact CE2-CG2 3.88Å; F12-V251 HydrophobicContact CZ-CG2 3.77Å
13	I	85.3	Confident	85.9	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-0.6	179.4	60.7	157.9	0	0	0	112.8	M1 L10 D11 C15 S16 T247 Y249 I260	M1-I13 HydrophobicContact CE-CB 4.38Å; M1-I13 HydrophobicContact CE-CD1 3.43Å; M1-I13 VanDerWaalsContact CE-CD1 3.43Å; M1-I13 HydrophobicContact CE-CG1 3.83Å; M1-I13 HydrophobicContact CE-CG2 3.7Å; L10-I13 HydrophobicContact CD2-CD1 4.03Å; L10-I13 WeakPolarHBondContact O-CG1 3.23Å; L10-I13 PolarHBondContact O-N 2.85Å; D11-I13 PolarHBondContact O-N 3.19Å; I13-C15 PolarHBondContact O-N 2.98Å; I13-C15 VanDerWaalsContact O-N 3.15Å; I13-S16 VanDerWaalsContact O-CB 3.23Å; I13-S16 WeakPolarHBondContact O-CB 3.36Å; I13-S16 PolarHBondContact O-N 3.41Å; I13-S16 PolarHBondContact O-OG 3.3Å; I13-T247 HydrophobicContact CB-CG2 4.18Å; I13-T247 HydrophobicContact CG2-CG2 3.87Å; I13-Y249 HydrophobicContact CG2-CD1 3.87Å; I13-Y249 HydrophobicContact CG2-CG 4.3Å; I13-I260 HydrophobicContact CD1-CB 4.2Å; I13-I260 HydrophobicContact CD1-CD1 4.33Å; I13-I260 HydrophobicContact CD1-CG2 3.32Å
14	A	82.7	Confident	86	Confident	41 Å²	41	60.6 Å²	60.6	34%	0.339	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.1	-30.5	-174.2	0	0	0	0	0	112.6	L10 D11 S16 G17 I19	L10-A14 PolarHBondContact O-N 2.59Å; D11-A14 WeakPolarHBondContact O-CB 3.31Å; D11-A14 PolarHBondContact O-N 2.78Å; A14-S16 PolarHBondContact O-N 2.86Å; A14-S16 VanDerWaalsContact O-N 3.15Å; A14-G17 PolarHBondContact O-N 3.23Å; A14-G17 VanDerWaalsContact O-N 3.12Å; A14-I19 HydrophobicContact CB-CG2 4.07Å
15	C	76.4	Confident	86.2	Confident	88 Å²	88	57.9 Å²	57.9	60%	0.595	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63	-17	175.6	-65	0	0	0	0	113.6	I13 G17 E230	I13-C15 PolarHBondContact O-N 2.98Å; I13-C15 VanDerWaalsContact O-N 3.15Å; C15-G17 PolarHBondContact O-N 2.82Å; C15-E230 WeakPolarHBondContact CB-OE2 3.42Å
16	S	73.9	Confident	86.3	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-70.8	-9.1	174.2	70.7	0	0	0	0	114	I13 A14 R18	I13-S16 VanDerWaalsContact O-CB 3.23Å; I13-S16 WeakPolarHBondContact O-CB 3.36Å; I13-S16 PolarHBondContact O-N 3.41Å; I13-S16 PolarHBondContact O-OG 3.3Å; A14-S16 PolarHBondContact O-N 2.86Å; A14-S16 VanDerWaalsContact O-N 3.15Å; S16-R18 PolarHBondContact O-N 3.36Å
17	G	76.7	Confident	86.6	Confident	65 Å²	65	61.4 Å²	61.4	67%	0.67	34%	0.337	S	S	*	.	S	Bend	trans	76	-3.4	-179.4	0	0	0	0	0	114.6	A14 C15	A14-G17 PolarHBondContact O-N 3.23Å; A14-G17 VanDerWaalsContact O-N 3.12Å; C15-G17 PolarHBondContact O-N 2.82Å
18	R	75.1	Confident	87	Confident	99 Å²	99	59 Å²	59	37%	0.374	32%	0.32	S	S	.	.			trans	-106.6	98	175.9	-58.8	-170.9	-171.7	-167.8	1.8	109.1	S16 F244 I262	S16-R18 PolarHBondContact O-N 3.36Å; R18-F244 PolarHBondContact NH1-O 3.49Å; R18-I262 HydrophobicContact CB-CB 4.02Å; R18-I262 HydrophobicContact CB-CD1 3.98Å; R18-I262 HydrophobicContact CB-CG2 4.06Å; R18-I262 WeakPolarHBondContact CD-O 3.32Å; R18-I262 PolarHBondContact NH1-O 3.44Å; R18-I262 WeakPolarHBondContact O-CD1 3.42Å
19	I	85.4	Confident	87.2	Confident	119 Å²	119	58.6 Å²	58.6	61%	0.61	32%	0.322	S	S	*	.			trans	-120	156.6	-176.6	58.6	171.2	0	0	0	111.8	A14	A14-I19 HydrophobicContact CB-CG2 4.07Å
20	L	89.8	Confident	87.4	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	34%	0.344	C	S	.	.			trans	-89.6	145.9	168.5	-59.1	-179.3	0	0	0	109.8	L10 Q24 R25 L28 F46 K49 F58 I262	L10-L20 HydrophobicContact CD1-CD1 4.01Å; L10-L20 HydrophobicContact CD2-CD1 4.29Å; L20-Q24 HydrophobicContact CB-CB 4.28Å; L20-R25 HydrophobicContact CB-CG 3.88Å; L20-L28 HydrophobicContact CD1-CD1 3.47Å; L20-L28 VanDerWaalsContact CD1-CD1 3.47Å; L20-F46 HydrophobicContact CD1-CD1 4.42Å; L20-F46 HydrophobicContact CD1-CE1 3.69Å; L20-F46 HydrophobicContact CD1-CZ 4.15Å; L20-K49 HydrophobicContact CD2-CD 4.42Å; L20-F58 HydrophobicContact CD2-CE1 4.09Å; L20-I262 HydrophobicContact CD2-CD1 4.46Å
21	N	90.6	Very high	87.7	Confident	71 Å²	71	61.9 Å²	61.9	38%	0.38	34%	0.342	S	S	.	.			trans	-71.3	165.4	173.8	72.8	19.2	0	0	0	110.8	E23 Q24 R25	N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact O-N 2.81Å; N21-E23 PolarHBondContact OD1-N 2.85Å; N21-Q24 VanDerWaalsContact CG-CD 3.4Å; N21-Q24 VanDerWaalsContact N-OE1 3.1Å; N21-Q24 PolarHBondContact ND2-NE2 3.28Å; N21-Q24 PolarHBondContact O-N 3.14Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.33Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.27Å; N21-Q24 PolarHBondContact OD1-N 3.2Å; N21-Q24 PolarHBondContact OD1-OE1 2.89Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.37Å; N21-R25 PolarHBondContact O-N 3.26Å
22	I	90.1	Very high	87.9	Confident	142 Å²	142	58 Å²	58	73%	0.728	32%	0.321	S	S	*	.	H	α-helix	trans	-64.1	-36.8	-174.3	-161.9	159.2	0	0	0	112.5	R25 T26	I22-R25 PolarHBondContact O-N 3.38Å; I22-T26 PolarHBondContact O-N 2.84Å; I22-T26 PolarHBondContact O-OG1 2.97Å; I22-T26 VanDerWaalsContact O-OG1 3.12Å
23	E	93	Very high	88.2	Confident	146 Å²	146	61.4 Å²	61.4	68%	0.682	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-49.8	177.5	-176.9	-178.2	-175	0	0	111.4	N21 R25 T26 A27	N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact O-N 2.81Å; N21-E23 PolarHBondContact OD1-N 2.85Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.05Å; E23-T26 PolarHBondContact O-N 2.76Å; E23-A27 VanDerWaalsContact O-CB 3.27Å; E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 2.59Å
24	Q	93.6	Very high	88.7	Confident	36 Å²	36	66 Å²	66	17%	0.168	37%	0.365	C	S	.	.	H	α-helix	trans	-58.4	-44.9	174.4	-72.3	157.1	2.5	0	0	110.6	L20 N21 T26 A27 L28 F58	L20-Q24 HydrophobicContact CB-CB 4.28Å; N21-Q24 VanDerWaalsContact CG-CD 3.4Å; N21-Q24 VanDerWaalsContact N-OE1 3.1Å; N21-Q24 PolarHBondContact ND2-NE2 3.28Å; N21-Q24 PolarHBondContact O-N 3.14Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.33Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.27Å; N21-Q24 PolarHBondContact OD1-N 3.2Å; N21-Q24 PolarHBondContact OD1-OE1 2.89Å; Q24-T26 PolarHBondContact O-N 3.34Å; Q24-A27 PolarHBondContact O-N 2.86Å; Q24-L28 WeakPolarHBondContact O-CB 3.32Å; Q24-L28 WeakPolarHBondContact O-CG 3.27Å; Q24-L28 PolarHBondContact O-N 2.66Å; Q24-F58 HydrophobicContact CG-CE1 4.05Å; Q24-F58 HydrophobicContact CG-CZ 3.93Å
25	R	92.5	Very high	89.3	Confident	63 Å²	63	64.4 Å²	64.4	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-46	178.6	-69.7	177.4	78.4	169.2	4	111.7	S7 L10 D11 L20 N21 I22 E23 Q29	S7-R25 PolarHBondContact O-NH2 2.68Å; L10-R25 HydrophobicContact CD1-CG 3.78Å; D11-R25 IonicContact OD1-CZ 3.74Å; D11-R25 IonicContact OD1-NH1 3.47Å; D11-R25 PolarHBondContact OD1-NH1 3.01Å; D11-R25 IonicContact OD1-NH2 2.67Å; D11-R25 PolarHBondContact OD1-NH2 3.42Å; D11-R25 IonicContact OD2-NH2 3.76Å; L20-R25 HydrophobicContact CB-CG 3.88Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.37Å; N21-R25 PolarHBondContact O-N 3.26Å; I22-R25 PolarHBondContact O-N 3.38Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.05Å; R25-Q29 VanDerWaalsContact O-CG 3.32Å; R25-Q29 WeakPolarHBondContact O-CG 3.14Å; R25-Q29 PolarHBondContact O-N 2.78Å
26	T	91.9	Very high	90.1	Very high	77 Å²	77	63.2 Å²	63.2	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-40.8	179.1	-57.9	0	0	0	0	112.1	I22 E23 Q24 Q29 T30	I22-T26 PolarHBondContact O-N 2.84Å; I22-T26 PolarHBondContact O-OG1 2.97Å; I22-T26 VanDerWaalsContact O-OG1 3.12Å; E23-T26 PolarHBondContact O-N 2.76Å; Q24-T26 PolarHBondContact O-N 3.34Å; T26-Q29 PolarHBondContact O-N 3.19Å; T26-T30 PolarHBondContact O-N 3.06Å; T26-T30 PolarHBondContact O-OG1 3.18Å
27	A	94.9	Very high	91.1	Very high	14 Å²	14	70.5 Å²	70.5	12%	0.116	36%	0.364	C	S	.	.	H	α-helix	trans	-59.7	-48.8	175.4	0	0	0	0	0	111.4	E23 Q24 Q29 T30 S31 C79 M80	E23-A27 VanDerWaalsContact O-CB 3.27Å; E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 2.59Å; Q24-A27 PolarHBondContact O-N 2.86Å; A27-Q29 PolarHBondContact O-N 2.72Å; A27-T30 PolarHBondContact O-N 3.15Å; A27-S31 WeakPolarHBondContact O-CB 3.47Å; A27-S31 PolarHBondContact O-N 3.24Å; A27-S31 PolarHBondContact O-OG 2.74Å; A27-S31 VanDerWaalsContact O-OG 3.06Å; A27-C79 HydrophobicContact CB-CB 3.74Å; A27-M80 HydrophobicContact CB-CG 3.97Å; A27-M80 HydrophobicContact CB-SD 3.63Å
28	L	94.8	Very high	91.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-40.3	179.1	-68.8	170.1	0	0	0	112.6	L6 L20 Q24 T30 M32 F46 C79 W82	L6-L28 HydrophobicContact CD2-CB 3.84Å; L6-L28 HydrophobicContact CD2-CD1 4.33Å; L20-L28 HydrophobicContact CD1-CD1 3.47Å; L20-L28 VanDerWaalsContact CD1-CD1 3.47Å; Q24-L28 WeakPolarHBondContact O-CB 3.32Å; Q24-L28 WeakPolarHBondContact O-CG 3.27Å; Q24-L28 PolarHBondContact O-N 2.66Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 3.12Å; L28-M32 HydrophobicContact CB-CE 4.01Å; L28-M32 HydrophobicContact CD2-CE 3.51Å; L28-M32 HydrophobicContact CG-CE 4.2Å; L28-M32 VanDerWaalsContact O-CB 3.27Å; L28-M32 WeakPolarHBondContact O-CB 3.39Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.1Å; L28-F46 HydrophobicContact CD1-CD1 4.38Å; L28-F46 HydrophobicContact CD1-CD2 4.21Å; L28-F46 HydrophobicContact CD1-CE1 4.15Å; L28-F46 HydrophobicContact CD1-CE2 3.96Å; L28-F46 HydrophobicContact CD1-CG 4.42Å; L28-F46 HydrophobicContact CD1-CZ 3.93Å; L28-F46 HydrophobicContact CD2-CD2 3.97Å; L28-F46 HydrophobicContact CD2-CE2 3.82Å; L28-C79 HydrophobicContact CD2-CB 3.6Å; L28-C79 HydrophobicContact CG-CB 3.8Å; L28-W82 HydrophobicContact CD2-CH2 3.98Å; L28-W82 HydrophobicContact CD2-CZ2 3.73Å
29	Q	91.1	Very high	92.7	Very high	86 Å²	86	71.2 Å²	71.2	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-39.9	177.7	-76.6	170.9	0.5	0	0	112.1	S7 R25 T26 A27	S7-Q29 VanDerWaalsContact CB-NE2 3.27Å; R25-Q29 VanDerWaalsContact O-CG 3.32Å; R25-Q29 WeakPolarHBondContact O-CG 3.14Å; R25-Q29 PolarHBondContact O-N 2.78Å; T26-Q29 PolarHBondContact O-N 3.19Å; A27-Q29 PolarHBondContact O-N 2.72Å
30	T	92.6	Very high	93	Very high	77 Å²	77	72.1 Å²	72.1	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-81.2	-48.1	-178.4	-51.3	0	0	0	0	111.1	T26 A27 L28 M32 L33 I34	T26-T30 PolarHBondContact O-N 3.06Å; T26-T30 PolarHBondContact O-OG1 3.18Å; A27-T30 PolarHBondContact O-N 3.15Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 3.12Å; T30-M32 PolarHBondContact O-N 3.43Å; T30-L33 PolarHBondContact O-N 2.68Å; T30-I34 HydrophobicContact CG2-CD1 4.23Å; T30-I34 WeakPolarHBondContact O-CG1 3.1Å; T30-I34 PolarHBondContact O-N 2.84Å
31	S	95.5	Very high	93.3	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-69.1	-35.1	-173.1	70.9	0	0	0	0	112.9	A27 L33 I34 L35 C79 W82	A27-S31 WeakPolarHBondContact O-CB 3.47Å; A27-S31 PolarHBondContact O-N 3.24Å; A27-S31 PolarHBondContact O-OG 2.74Å; A27-S31 VanDerWaalsContact O-OG 3.06Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 2.94Å; S31-I34 WeakPolarHBondContact O-CB 3.33Å; S31-I34 PolarHBondContact O-N 2.8Å; S31-L35 WeakPolarHBondContact O-CB 3.47Å; S31-L35 WeakPolarHBondContact O-CG 3.23Å; S31-L35 PolarHBondContact O-N 3.11Å; S31-C79 WeakPolarHBondContact CB-O 3.45Å; S31-C79 PolarHBondContact OG-O 3.2Å; S31-W82 PolarHBondContact OG-NE1 2.82Å
32	M	93.8	Very high	93.4	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-66.9	-33.8	176.3	-70.2	179.9	-177	0	0	113.3	L6 L28 T30 I34 L35 K36 V44 F46 W82	L6-M32 HydrophobicContact CD2-CE 4.12Å; L6-M32 HydrophobicContact CD2-SD 3.81Å; L28-M32 HydrophobicContact CB-CE 4.01Å; L28-M32 HydrophobicContact CD2-CE 3.51Å; L28-M32 HydrophobicContact CG-CE 4.2Å; L28-M32 VanDerWaalsContact O-CB 3.27Å; L28-M32 WeakPolarHBondContact O-CB 3.39Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.1Å; T30-M32 PolarHBondContact O-N 3.43Å; M32-I34 VanDerWaalsContact C-N 3.34Å; M32-L35 PolarHBondContact O-N 3.09Å; M32-K36 WeakPolarHBondContact O-CB 3.09Å; M32-K36 PolarHBondContact O-N 3.43Å; M32-V44 HydrophobicContact CB-CG1 4.11Å; M32-V44 HydrophobicContact CG-CG1 4.12Å; M32-F46 HydrophobicContact CE-CB 3.35Å; M32-F46 HydrophobicContact CE-CD2 3.26Å; M32-F46 HydrophobicContact CE-CE2 4.3Å; M32-F46 HydrophobicContact CE-CG 3.58Å; M32-F46 HydrophobicContact SD-CB 4.11Å; M32-W82 HydrophobicContact CE-CZ2 4.45Å
33	L	93.4	Very high	93.6	Very high	121 Å²	121	70.1 Å²	70.1	63%	0.634	35%	0.346	S	S	*	.	H	α-helix	trans	-66.4	-41.7	174.9	-169.7	156.1	0	0	0	110.3	T30 S31 K36 K37	T30-L33 PolarHBondContact O-N 2.68Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 2.94Å; L33-K36 PolarHBondContact O-N 2.84Å; L33-K37 PolarHBondContact O-N 2.77Å
34	I	94.9	Very high	93.7	Very high	98 Å²	98	63.2 Å²	63.2	50%	0.503	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-48.9	174.7	-62.8	167.7	0	0	0	110.1	T30 S31 M32 K36 K37 S38	T30-I34 HydrophobicContact CG2-CD1 4.23Å; T30-I34 WeakPolarHBondContact O-CG1 3.1Å; T30-I34 PolarHBondContact O-N 2.84Å; S31-I34 WeakPolarHBondContact O-CB 3.33Å; S31-I34 PolarHBondContact O-N 2.8Å; M32-I34 VanDerWaalsContact C-N 3.34Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.22Å; I34-K37 PolarHBondContact O-N 2.76Å; I34-K37 VanDerWaalsContact O-N 3.09Å; I34-S38 PolarHBondContact O-N 3.04Å; I34-S38 PolarHBondContact O-OG 3.41Å
35	L	94.4	Very high	93.8	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-55.4	-45.4	177.5	-81.3	-179.2	0	0	0	112.9	S31 M32 K37 S38 Y39 A60 L74 W82	S31-L35 WeakPolarHBondContact O-CB 3.47Å; S31-L35 WeakPolarHBondContact O-CG 3.23Å; S31-L35 PolarHBondContact O-N 3.11Å; M32-L35 PolarHBondContact O-N 3.09Å; L35-K37 PolarHBondContact O-N 3.29Å; L35-S38 WeakPolarHBondContact CA-OG 3.41Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 PolarHBondContact O-OG 3.29Å; L35-Y39 HydrophobicContact CD2-CD2 3.87Å; L35-Y39 HydrophobicContact CD2-CE2 3.71Å; L35-Y39 PolarHBondContact O-N 2.78Å; L35-Y39 VanDerWaalsContact O-N 3.08Å; L35-A60 HydrophobicContact CD1-CB 4.18Å; L35-L74 HydrophobicContact CD2-CD2 3.92Å; L35-W82 HydrophobicContact CD1-CB 4.33Å; L35-W82 HydrophobicContact CD1-CD2 3.61Å; L35-W82 HydrophobicContact CD1-CE3 4.32Å; L35-W82 HydrophobicContact CD1-CG 3.59Å; L35-W82 HydrophobicContact CD1-CZ2 4.32Å; L35-W82 HydrophobicContact CD2-CB 3.78Å; L35-W82 HydrophobicContact CD2-CG 3.84Å; L35-W82 HydrophobicContact CG-CB 4.46Å; L35-W82 HydrophobicContact CG-CD2 4.49Å; L35-W82 HydrophobicContact CG-CG 3.98Å
36	K	94.3	Very high	94	Very high	63 Å²	63	59.3 Å²	59.3	27%	0.274	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-41.7	178.9	-173.1	176.8	179.9	169.6	0	111.1	M32 L33 I34 N40 F41 K42 V44	M32-K36 WeakPolarHBondContact O-CB 3.09Å; M32-K36 PolarHBondContact O-N 3.43Å; L33-K36 PolarHBondContact O-N 2.84Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.22Å; K36-N40 WeakPolarHBondContact O-CA 3.46Å; K36-N40 PolarHBondContact O-N 3.2Å; K36-F41 VanDerWaalsContact CG-O 3.31Å; K36-F41 WeakPolarHBondContact CG-O 3.44Å; K36-F41 PolarHBondContact O-N 3.02Å; K36-F41 VanDerWaalsContact O-N 3.07Å; K36-K42 WeakPolarHBondContact CE-O 3.35Å; K36-K42 PolarHBondContact NZ-O 3.37Å; K36-V44 HydrophobicContact CB-CG2 3.63Å; K36-V44 HydrophobicContact CG-CG2 4.07Å
37	K	94.1	Very high	94.2	Very high	182 Å²	182	55.7 Å²	55.7	79%	0.791	28%	0.276	S	S	*	.	H	α-helix	trans	-76.9	-42.4	-179.9	-169.7	176.6	-179.5	-178.4	0	112.6	L33 I34 L35 N40	L33-K37 PolarHBondContact O-N 2.77Å; I34-K37 PolarHBondContact O-N 2.76Å; I34-K37 VanDerWaalsContact O-N 3.09Å; L35-K37 PolarHBondContact O-N 3.29Å; K37-N40 PolarHBondContact O-N 3.34Å
38	S	93.5	Very high	94.2	Very high	79 Å²	79	55 Å²	55	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-69.3	-39.3	-174.9	64	0	0	0	0	113	I34 L35	I34-S38 PolarHBondContact O-N 3.04Å; I34-S38 PolarHBondContact O-OG 3.41Å; L35-S38 WeakPolarHBondContact CA-OG 3.41Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 PolarHBondContact O-OG 3.29Å
39	Y	91.9	Very high	94.3	Very high	99 Å²	99	56.5 Å²	56.5	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3	179.1	-71.5	-88.3	0	0	0	113.4	L35 F41 L74	L35-Y39 HydrophobicContact CD2-CD2 3.87Å; L35-Y39 HydrophobicContact CD2-CE2 3.71Å; L35-Y39 PolarHBondContact O-N 2.78Å; L35-Y39 VanDerWaalsContact O-N 3.08Å; Y39-F41 VanDerWaalsContact CB-CZ 3.44Å; Y39-F41 HydrophobicContact CD1-CE2 4.39Å; Y39-F41 HydrophobicContact CD1-CZ 4.15Å; Y39-F41 HydrophobicContact CD2-CE2 4.04Å; Y39-F41 HydrophobicContact CG-CD2 4.4Å; Y39-F41 AromaticContact CG-CE2 3.65Å; Y39-F41 HydrophobicContact CG-CE2 3.65Å; Y39-F41 AromaticContact CG-CZ 3.84Å; Y39-F41 HydrophobicContact CG-CZ 3.84Å; Y39-F41 PolarHBondContact O-N 3.01Å; Y39-L74 HydrophobicContact CD2-CD2 4.34Å; Y39-L74 HydrophobicContact CE1-CD2 4.46Å; Y39-L74 HydrophobicContact CE2-CD2 3.7Å
40	N	93.1	Very high	94.5	Very high	139 Å²	139	52.4 Å²	52.4	74%	0.743	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.5	-178	-164.9	31.3	0	0	0	113.7	K36 K37	K36-N40 WeakPolarHBondContact O-CA 3.46Å; K36-N40 PolarHBondContact O-N 3.2Å; K37-N40 PolarHBondContact O-N 3.34Å
41	F	94.3	Very high	94.7	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	25%	0.251	C	S	.	.			trans	-71.3	141	176.8	-64.5	-50.6	0	0	0	110.9	K36 Y39 V44 T72 L74	K36-F41 VanDerWaalsContact CG-O 3.31Å; K36-F41 WeakPolarHBondContact CG-O 3.44Å; K36-F41 PolarHBondContact O-N 3.02Å; K36-F41 VanDerWaalsContact O-N 3.07Å; Y39-F41 VanDerWaalsContact CB-CZ 3.44Å; Y39-F41 HydrophobicContact CD1-CE2 4.39Å; Y39-F41 HydrophobicContact CD1-CZ 4.15Å; Y39-F41 HydrophobicContact CD2-CE2 4.04Å; Y39-F41 HydrophobicContact CG-CD2 4.4Å; Y39-F41 AromaticContact CG-CE2 3.65Å; Y39-F41 HydrophobicContact CG-CE2 3.65Å; Y39-F41 AromaticContact CG-CZ 3.84Å; Y39-F41 HydrophobicContact CG-CZ 3.84Å; Y39-F41 PolarHBondContact O-N 3.01Å; F41-V44 HydrophobicContact CB-CG2 3.89Å; F41-V44 HydrophobicContact CD2-CG2 3.81Å; F41-V44 HydrophobicContact CG-CG2 4.27Å; F41-T72 HydrophobicContact CE1-CG2 4.42Å; F41-T72 HydrophobicContact CZ-CG2 3.98Å; F41-L74 HydrophobicContact CE2-CD1 4Å; F41-L74 HydrophobicContact CZ-CD1 4.2Å
42	K	93.6	Very high	94.6	Very high	121 Å²	121	52.4 Å²	52.4	53%	0.526	26%	0.258	S	S	.	.	S	Bend	trans	-69.9	-40.4	172	-66.1	-64.6	-175.2	179.2	0	110.6	K36 R63 S64	K36-K42 WeakPolarHBondContact CE-O 3.35Å; K36-K42 PolarHBondContact NZ-O 3.37Å; K42-R63 PolarHBondContact N-O 3.22Å; K42-S64 WeakPolarHBondContact CB-O 3.48Å; K42-S64 WeakPolarHBondContact CG-O 3.5Å
43	R	93.4	Very high	94.6	Very high	45 Å²	45	58 Å²	58	17%	0.17	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.9	174.9	-65.7	178.7	75.5	-163.6	5.5	111	D2 R63 E67	D2-R43 IonicContact OD2-CZ 3.84Å; D2-R43 VanDerWaalsContact OD2-CZ 3.24Å; D2-R43 IonicContact OD2-NE 2.72Å; D2-R43 PolarHBondContact OD2-NE 3.41Å; D2-R43 IonicContact OD2-NH2 3.51Å; D2-R43 PolarHBondContact OD2-NH2 2.77Å; R43-R63 HydrophobicContact CB-CB 4.43Å; R43-R63 PolarHBondContact N-O 3.04Å; R43-R63 PolarHBondContact O-N 3.09Å; R43-E67 WeakPolarHBondContact CD-OE1 3.48Å; R43-E67 IonicContact NH1-OE1 2.79Å; R43-E67 PolarHBondContact NH1-OE1 3.38Å; R43-E67 IonicContact NH1-OE2 2.73Å; R43-E67 PolarHBondContact NH1-OE2 3.47Å
44	V	95.9	Very high	94.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.8	172.8	178.1	0	0	0	0	107.1	S3 M32 K36 F41	S3-V44 VanDerWaalsContact CB-O 3.3Å; S3-V44 WeakPolarHBondContact CB-O 3.02Å; S3-V44 PolarHBondContact N-O 3.35Å; S3-V44 PolarHBondContact OG-O 3.4Å; M32-V44 HydrophobicContact CB-CG1 4.11Å; M32-V44 HydrophobicContact CG-CG1 4.12Å; K36-V44 HydrophobicContact CB-CG2 3.63Å; K36-V44 HydrophobicContact CG-CG2 4.07Å; F41-V44 HydrophobicContact CB-CG2 3.89Å; F41-V44 HydrophobicContact CD2-CG2 3.81Å; F41-V44 HydrophobicContact CG-CG2 4.27Å
45	M	95.4	Very high	94.7	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.3	179.8	-51.6	-63.4	-75.2	0	0	108.5	M1 D2 W47 A60 Q61	M1-M45 CarbonylContact O-C 3.59Å; M1-M45 WeakPolarHBondContact O-CA 3.5Å; D2-M45 VanDerWaalsContact CA-SD 3.52Å; D2-M45 HydrophobicContact CB-CE 4.1Å; D2-M45 HydrophobicContact CB-SD 3.84Å; M45-W47 PolarHBondContact O-N 3.49Å; M45-A60 CarbonylContact O-C 3.5Å; M45-A60 WeakPolarHBondContact O-CA 3.31Å; M45-Q61 HydrophobicContact CB-CB 4.35Å; M45-Q61 PolarHBondContact N-O 3.3Å; M45-Q61 PolarHBondContact O-N 2.84Å
46	F	96.4	Very high	94.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	114.9	159.6	-169.1	-126.8	0	0	0	108.5	M1 L6 L20 L28 M32 G48 F58 I59 I260	M1-F46 PolarHBondContact N-O 2.96Å; M1-F46 PolarHBondContact O-N 2.86Å; L6-F46 HydrophobicContact CD1-CB 3.89Å; L6-F46 HydrophobicContact CD1-CD1 4.2Å; L6-F46 HydrophobicContact CD1-CG 4.41Å; L6-F46 HydrophobicContact CD2-CB 4.3Å; L20-F46 HydrophobicContact CD1-CD1 4.42Å; L20-F46 HydrophobicContact CD1-CE1 3.69Å; L20-F46 HydrophobicContact CD1-CZ 4.15Å; L28-F46 HydrophobicContact CD1-CD1 4.38Å; L28-F46 HydrophobicContact CD1-CD2 4.21Å; L28-F46 HydrophobicContact CD1-CE1 4.15Å; L28-F46 HydrophobicContact CD1-CE2 3.96Å; L28-F46 HydrophobicContact CD1-CG 4.42Å; L28-F46 HydrophobicContact CD1-CZ 3.93Å; L28-F46 HydrophobicContact CD2-CD2 3.97Å; L28-F46 HydrophobicContact CD2-CE2 3.82Å; M32-F46 HydrophobicContact CE-CB 3.35Å; M32-F46 HydrophobicContact CE-CD2 3.26Å; M32-F46 HydrophobicContact CE-CE2 4.3Å; M32-F46 HydrophobicContact CE-CG 3.58Å; M32-F46 HydrophobicContact SD-CB 4.11Å; F46-G48 WeakPolarHBondContact CE2-O 3.36Å; F46-G48 WeakPolarHBondContact CZ-O 3.26Å; F46-F58 HydrophobicContact CE2-CB 4.29Å; F46-F58 HydrophobicContact CE2-CD1 4.4Å; F46-F58 HydrophobicContact CZ-CD1 4.08Å; F46-I59 VanDerWaalsContact CD2-O 3.27Å; F46-I59 WeakPolarHBondContact CD2-O 3.45Å; F46-I59 WeakPolarHBondContact CE2-O 3.22Å; F46-I260 HydrophobicContact CD1-CD1 3.81Å; F46-I260 HydrophobicContact CD1-CG1 4.32Å; F46-I260 HydrophobicContact CE1-CD1 3.54Å; F46-I260 HydrophobicContact CE1-CG1 4.2Å
47	W	96.3	Very high	95	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-44.4	179.3	-178.7	94.2	0	0	0	110.2	M45 L50 I59 Q61 I143 I146 D147 Y261	M45-W47 PolarHBondContact O-N 3.49Å; W47-L50 HydrophobicContact CH2-CD1 4.43Å; W47-L50 HydrophobicContact CZ3-CD1 4.22Å; W47-L50 HydrophobicContact CZ3-CG 4.12Å; W47-I59 HydrophobicContact CB-CB 4.11Å; W47-I59 HydrophobicContact CB-CG2 3.88Å; W47-I59 WeakPolarHBondContact CB-O 3.49Å; W47-I59 HydrophobicContact CD2-CB 4.33Å; W47-I59 HydrophobicContact CD2-CG2 4.2Å; W47-I59 HydrophobicContact CE3-CB 3.77Å; W47-I59 HydrophobicContact CE3-CG1 4.01Å; W47-I59 HydrophobicContact CE3-CG2 4.1Å; W47-I59 HydrophobicContact CG-CG2 4.15Å; W47-I59 HydrophobicContact CZ3-CG1 4.32Å; W47-I59 PolarHBondContact N-O 3.15Å; W47-Q61 HydrophobicContact CB-CB 4.49Å; W47-I143 HydrophobicContact CD2-CG2 4.42Å; W47-I143 HydrophobicContact CH2-CG1 4.37Å; W47-I143 HydrophobicContact CZ2-CG2 4.19Å; W47-I146 HydrophobicContact CH2-CB 4.17Å; W47-I146 HydrophobicContact CH2-CD1 3.9Å; W47-I146 HydrophobicContact CH2-CG2 3.85Å; W47-I146 HydrophobicContact CZ2-CB 3.71Å; W47-I146 HydrophobicContact CZ2-CD1 4.33Å; W47-I146 HydrophobicContact CZ2-CG2 3.4Å; W47-I146 VanDerWaalsContact CZ2-CG2 3.4Å; W47-D147 PolarHBondContact NE1-OD1 3.38Å; W47-Y261 AromaticContact CH2-CD1 3.52Å; W47-Y261 HydrophobicContact CH2-CD1 3.52Å; W47-Y261 HydrophobicContact CH2-CE1 4.31Å; W47-Y261 AromaticContact CH2-CG 3.74Å; W47-Y261 HydrophobicContact CH2-CG 3.74Å; W47-Y261 HydrophobicContact CZ2-CG 4.41Å; W47-Y261 AromaticContact CZ3-CD1 3.57Å; W47-Y261 HydrophobicContact CZ3-CD1 3.57Å; W47-Y261 AromaticContact CZ3-CG 4Å; W47-Y261 HydrophobicContact CZ3-CG 4Å; W47-Y261 PolarHBondContact O-N 2.92Å
48	G	95.5	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-158.4	-178.8	0	0	0	0	0	115.4	F46 I59 Y261	F46-G48 WeakPolarHBondContact CE2-O 3.36Å; F46-G48 WeakPolarHBondContact CZ-O 3.26Å; G48-I59 PolarHBondContact N-O 2.86Å; G48-I59 PolarHBondContact O-N 3.45Å; G48-Y261 CarbonylContact C-O 3.39Å; G48-Y261 WeakPolarHBondContact CA-O 3.27Å
49	K	95.8	Very high	95.3	Very high	30 Å²	30	46.4 Å²	46.4	13%	0.13	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124	-176.1	-176.3	-174.5	180	-170.5	0	110.2	L20 L51 D56 Y57 F58 Y261 I262 G263	L20-K49 HydrophobicContact CD2-CD 4.42Å; K49-L51 HydrophobicContact CD-CD2 4.1Å; K49-L51 HydrophobicContact CG-CD2 4.33Å; K49-D56 HydrophobicContact CD-CB 4.41Å; K49-D56 WeakPolarHBondContact CE-OD2 3.43Å; K49-D56 HydrophobicContact CG-CB 4.25Å; K49-D56 IonicContact NZ-OD2 2.65Å; K49-D56 PolarHBondContact NZ-OD2 3.46Å; K49-Y57 CarbonylContact C-O 3.56Å; K49-Y57 VanDerWaalsContact CA-O 3.26Å; K49-Y57 WeakPolarHBondContact CA-O 3.23Å; K49-F58 HydrophobicContact CB-CD1 4.43Å; K49-F58 HydrophobicContact CD-CE1 3.83Å; K49-F58 HydrophobicContact CD-CZ 4.13Å; K49-F58 HydrophobicContact CG-CD1 4.27Å; K49-F58 HydrophobicContact CG-CE1 4.04Å; K49-F58 HydrophobicContact CG-CZ 4.45Å; K49-Y261 PolarHBondContact N-O 3.26Å; K49-I262 HydrophobicContact CB-CG1 4.25Å; K49-I262 HydrophobicContact CB-CG2 4.32Å; K49-I262 HydrophobicContact CD-CG2 4.48Å; K49-I262 VanDerWaalsContact O-CA 3.31Å; K49-I262 WeakPolarHBondContact O-CA 3.44Å; K49-G263 PolarHBondContact O-N 3.27Å; K49-G263 VanDerWaalsContact O-N 3.1Å
50	L	96.6	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.5	170.9	-82	163.2	0	0	0	109.8	W47 D56 Y57 I59 F104 L139 I143 Y261 G263	W47-L50 HydrophobicContact CH2-CD1 4.43Å; W47-L50 HydrophobicContact CZ3-CD1 4.22Å; W47-L50 HydrophobicContact CZ3-CG 4.12Å; L50-D56 WeakPolarHBondContact O-CA 3.22Å; L50-Y57 PolarHBondContact N-O 3.28Å; L50-Y57 PolarHBondContact O-N 2.87Å; L50-I59 HydrophobicContact CD1-CG1 4.45Å; L50-F104 HydrophobicContact CD2-CE2 4.47Å; L50-L139 HydrophobicContact CD1-CD1 3.34Å; L50-I143 HydrophobicContact CD1-CD1 4.21Å; L50-I143 HydrophobicContact CD1-CG1 3.7Å; L50-Y261 HydrophobicContact CD2-CD1 4.24Å; L50-Y261 HydrophobicContact CD2-CE1 3.63Å; L50-Y261 HydrophobicContact CG-CE1 4.4Å; L50-G263 CarbonylContact C-O 3.49Å; L50-G263 WeakPolarHBondContact CA-O 3.37Å
51	L	95.6	Very high	95.7	Very high	63 Å²	63	35.1 Å²	35.1	33%	0.33	17%	0.168	S	C	.	.			trans	-85.2	123	-176	-57.8	178.1	0	0	0	110.5	K49 D56 G263	K49-L51 HydrophobicContact CD-CD2 4.1Å; K49-L51 HydrophobicContact CG-CD2 4.33Å; L51-D56 VanDerWaalsContact CA-OD1 3.32Å; L51-D56 WeakPolarHBondContact CA-OD1 3.36Å; L51-G263 PolarHBondContact N-O 2.89Å
52	G	94.8	Very high	95.8	Very high	17 Å²	17	34.4 Å²	34.4	18%	0.175	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-110.7	167.5	173.2	0	0	0	0	0	111.8	Q55 D56 F104	G52-Q55 VanDerWaalsContact CA-O 3.23Å; G52-Q55 WeakPolarHBondContact CA-O 3.44Å; G52-Q55 PolarHBondContact N-O 3.32Å; G52-D56 PolarHBondContact N-OD1 3.35Å; G52-D56 VanDerWaalsContact N-OD1 3.16Å; G52-F104 CarbonylContact C-O 3.59Å; G52-F104 VanDerWaalsContact CA-O 3.3Å; G52-F104 WeakPolarHBondContact CA-O 3.47Å
53	I	94.2	Very high	95.8	Very high	120 Å²	120	28.9 Å²	28.9	62%	0.615	14%	0.141	S	C	*	.	S	Bend	trans	-71.3	-44.8	179.9	-66.3	172.5	0	0	0	111.1	H103 F104 I105	I53-H103 HydrophobicContact CD1-CB 4.11Å; I53-H103 HydrophobicContact CG1-CB 4.07Å; I53-F104 WeakPolarHBondContact CG1-O 3.3Å; I53-F104 PolarHBondContact N-O 3.45Å; I53-I105 HydrophobicContact CD1-CD1 4.01Å; I53-I105 PolarHBondContact N-O 3.32Å
54	K	94.7	Very high	95.7	Very high	149 Å²	149	28.9 Å²	28.9	65%	0.648	15%	0.147	S	C	*	.	S	Bend	trans	-92.3	-46.1	-179.3	-61	-178.4	-179.3	174.8	0	111.9	I105	K54-I105 WeakPolarHBondContact CA-O 3.5Å; K54-I105 VanDerWaalsContact CB-O 3.23Å; K54-I105 WeakPolarHBondContact CB-O 3.27Å; K54-I105 HydrophobicContact CD-CG2 3.88Å; K54-I105 HydrophobicContact CG-CG2 4.19Å; K54-I105 WeakPolarHBondContact CG-O 3.37Å; K54-I105 PolarHBondContact N-O 3.09Å
55	Q	94.9	Very high	95.3	Very high	106 Å²	106	35.3 Å²	35.3	50%	0.495	18%	0.177	S	C	.	.			trans	-146.9	153.3	-176.5	-64.9	-170.5	4.8	0	0	110.7	G52 F77 G106	G52-Q55 VanDerWaalsContact CA-O 3.23Å; G52-Q55 WeakPolarHBondContact CA-O 3.44Å; G52-Q55 PolarHBondContact N-O 3.32Å; Q55-F77 HydrophobicContact CB-CD1 4.13Å; Q55-F77 HydrophobicContact CB-CE1 4.41Å; Q55-G106 VanDerWaalsContact O-CA 3.32Å; Q55-G106 WeakPolarHBondContact O-CA 3.35Å
56	D	96.4	Very high	95.2	Very high	46 Å²	46	35.2 Å²	35.2	25%	0.246	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-97.6	147.9	179.7	-59.5	-41.5	0	0	0	111.3	K49 L50 L51 G52	K49-D56 HydrophobicContact CD-CB 4.41Å; K49-D56 WeakPolarHBondContact CE-OD2 3.43Å; K49-D56 HydrophobicContact CG-CB 4.25Å; K49-D56 IonicContact NZ-OD2 2.65Å; K49-D56 PolarHBondContact NZ-OD2 3.46Å; L50-D56 WeakPolarHBondContact O-CA 3.22Å; L51-D56 VanDerWaalsContact CA-OD1 3.32Å; L51-D56 WeakPolarHBondContact CA-OD1 3.36Å; G52-D56 PolarHBondContact N-OD1 3.35Å; G52-D56 VanDerWaalsContact N-OD1 3.16Å
57	Y	97.6	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.2	176	-64.2	-86	0	0	0	110.8	K49 L50 Y75 F77 F104 G106 D107 P108 E135 L139	K49-Y57 CarbonylContact C-O 3.56Å; K49-Y57 VanDerWaalsContact CA-O 3.26Å; K49-Y57 WeakPolarHBondContact CA-O 3.23Å; L50-Y57 PolarHBondContact N-O 3.28Å; L50-Y57 PolarHBondContact O-N 2.87Å; Y57-Y75 AromaticContact CD1-CD2 3.84Å; Y57-Y75 HydrophobicContact CD1-CD2 3.84Å; Y57-Y75 HydrophobicContact CD1-CE2 4.48Å; Y57-Y75 HydrophobicContact CD1-CG 4.48Å; Y57-Y75 HydrophobicContact CE1-CD2 4.13Å; Y57-Y75 HydrophobicContact CE1-CE2 4.31Å; Y57-F77 HydrophobicContact CD1-CD1 4.41Å; Y57-F77 AromaticContact CD1-CE1 3.6Å; Y57-F77 HydrophobicContact CD1-CE1 3.6Å; Y57-F77 AromaticContact CD1-CZ 3.89Å; Y57-F77 HydrophobicContact CD1-CZ 3.89Å; Y57-F77 HydrophobicContact CE1-CD1 4.5Å; Y57-F77 AromaticContact CE1-CE1 3.35Å; Y57-F77 HydrophobicContact CE1-CE1 3.35Å; Y57-F77 AromaticContact CE1-CZ 3.36Å; Y57-F77 HydrophobicContact CE1-CZ 3.36Å; Y57-F77 HydrophobicContact CG-CE1 4.37Å; Y57-F77 AromaticContact CZ-CE1 3.91Å; Y57-F104 HydrophobicContact CE2-CB 4.43Å; Y57-F104 HydrophobicContact CE2-CD1 4.38Å; Y57-G106 VanDerWaalsContact OH-C 3.25Å; Y57-D107 VanDerWaalsContact OH-C 3.24Å; Y57-D107 PolarHBondContact OH-N 3.37Å; Y57-P108 HydrophobicContact CE1-CG 4.19Å; Y57-E135 PolarHBondContact OH-OE1 3.35Å; Y57-L139 HydrophobicContact CD1-CD2 3.49Å; Y57-L139 VanDerWaalsContact CD1-CD2 3.49Å; Y57-L139 HydrophobicContact CD2-CD1 4.42Å; Y57-L139 HydrophobicContact CD2-CD2 4.42Å; Y57-L139 HydrophobicContact CE1-CD2 3.72Å; Y57-L139 HydrophobicContact CG-CD1 4.3Å; Y57-L139 HydrophobicContact CG-CD2 3.86Å
58	F	97.7	Very high	94.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.5	170	-62.3	-88.6	0	0	0	109.3	L20 Q24 F46 K49 Y75 S76 F77 C79 W82	L20-F58 HydrophobicContact CD2-CE1 4.09Å; Q24-F58 HydrophobicContact CG-CE1 4.05Å; Q24-F58 HydrophobicContact CG-CZ 3.93Å; F46-F58 HydrophobicContact CE2-CB 4.29Å; F46-F58 HydrophobicContact CE2-CD1 4.4Å; F46-F58 HydrophobicContact CZ-CD1 4.08Å; K49-F58 HydrophobicContact CB-CD1 4.43Å; K49-F58 HydrophobicContact CD-CE1 3.83Å; K49-F58 HydrophobicContact CD-CZ 4.13Å; K49-F58 HydrophobicContact CG-CD1 4.27Å; K49-F58 HydrophobicContact CG-CE1 4.04Å; K49-F58 HydrophobicContact CG-CZ 4.45Å; F58-Y75 CarbonylContact O-C 3.39Å; F58-Y75 VanDerWaalsContact O-CA 3.22Å; F58-Y75 WeakPolarHBondContact O-CA 3.19Å; F58-S76 WeakPolarHBondContact CD2-O 3.15Å; F58-S76 PolarHBondContact N-O 3.32Å; F58-S76 PolarHBondContact O-N 3.39Å; F58-F77 WeakPolarHBondContact CE2-O 3.44Å; F58-C79 WeakPolarHBondContact CD1-SG 3.43Å; F58-C79 WeakPolarHBondContact CG-SG 3.4Å; F58-W82 HydrophobicContact CB-CH2 4.37Å; F58-W82 WeakPolarHBondContact O-CZ3 3.27Å
59	I	97.9	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.3	-172.5	-49.5	-56.3	0	0	0	110.3	F46 W47 G48 L50 Y73 L74 L139 I143	F46-I59 VanDerWaalsContact CD2-O 3.27Å; F46-I59 WeakPolarHBondContact CD2-O 3.45Å; F46-I59 WeakPolarHBondContact CE2-O 3.22Å; W47-I59 HydrophobicContact CB-CB 4.11Å; W47-I59 HydrophobicContact CB-CG2 3.88Å; W47-I59 WeakPolarHBondContact CB-O 3.49Å; W47-I59 HydrophobicContact CD2-CB 4.33Å; W47-I59 HydrophobicContact CD2-CG2 4.2Å; W47-I59 HydrophobicContact CE3-CB 3.77Å; W47-I59 HydrophobicContact CE3-CG1 4.01Å; W47-I59 HydrophobicContact CE3-CG2 4.1Å; W47-I59 HydrophobicContact CG-CG2 4.15Å; W47-I59 HydrophobicContact CZ3-CG1 4.32Å; W47-I59 PolarHBondContact N-O 3.15Å; G48-I59 PolarHBondContact N-O 2.86Å; G48-I59 PolarHBondContact O-N 3.45Å; L50-I59 HydrophobicContact CD1-CG1 4.45Å; I59-Y73 HydrophobicContact CG2-CD1 4.36Å; I59-L74 WeakPolarHBondContact CA-O 3.24Å; I59-L139 HydrophobicContact CD1-CD1 4.35Å; I59-L139 HydrophobicContact CD1-CD2 4.45Å; I59-I143 HydrophobicContact CB-CD1 4.48Å; I59-I143 HydrophobicContact CD1-CD1 3.54Å; I59-I143 HydrophobicContact CG1-CD1 3.76Å; I59-I143 HydrophobicContact CG1-CG1 4.32Å; I59-I143 HydrophobicContact CG2-CD1 3.87Å; I59-I143 HydrophobicContact CG2-CG1 4.45Å; I59-I143 HydrophobicContact CG2-CG2 4.28Å
60	A	97.2	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147	169.3	0	0	0	0	0	109.8	L35 M45 Y73 L74 W82	L35-A60 HydrophobicContact CD1-CB 4.18Å; M45-A60 CarbonylContact O-C 3.5Å; M45-A60 WeakPolarHBondContact O-CA 3.31Å; A60-Y73 WeakPolarHBondContact O-CA 3.1Å; A60-L74 PolarHBondContact N-O 3.26Å; A60-L74 PolarHBondContact O-N 3.03Å; A60-W82 HydrophobicContact CB-CD2 4.49Å; A60-W82 HydrophobicContact CB-CE3 3.85Å; A60-W82 HydrophobicContact CB-CH2 3.56Å; A60-W82 HydrophobicContact CB-CZ2 4.2Å; A60-W82 HydrophobicContact CB-CZ3 3.35Å; A60-W82 VanDerWaalsContact N-CZ3 3.34Å
61	Q	96.3	Very high	93.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.7	176.6	-178.4	-172.2	82.9	0	0	108.5	M45 W47 R71 T72 Y73 D147	M45-Q61 HydrophobicContact CB-CB 4.35Å; M45-Q61 PolarHBondContact N-O 3.3Å; M45-Q61 PolarHBondContact O-N 2.84Å; W47-Q61 HydrophobicContact CB-CB 4.49Å; Q61-R71 HydrophobicContact CG-CB 4.27Å; Q61-T72 CarbonylContact C-O 3.56Å; Q61-T72 WeakPolarHBondContact CA-O 3.4Å; Q61-Y73 HydrophobicContact CB-CD1 4.15Å; Q61-Y73 HydrophobicContact CB-CE1 4.13Å; Q61-Y73 HydrophobicContact CG-CD1 4.18Å; Q61-Y73 HydrophobicContact CG-CE1 3.83Å; Q61-Y73 PolarHBondContact NE2-OH 2.93Å; Q61-D147 PolarHBondContact NE2-OD1 3.2Å; Q61-D147 PolarHBondContact NE2-OD2 2.63Å
62	G	95.6	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.1	169.5	0	0	0	0	0	111.1	T72	G62-T72 PolarHBondContact N-O 2.93Å; G62-T72 PolarHBondContact O-N 3.38Å
63	R	94	Very high	93.8	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.8	176	-60.3	-175.9	-177.4	-171.9	-5.7	110.7	K42 R43 E67 F189	K42-R63 PolarHBondContact N-O 3.22Å; R43-R63 HydrophobicContact CB-CB 4.43Å; R43-R63 PolarHBondContact N-O 3.04Å; R43-R63 PolarHBondContact O-N 3.09Å; R63-E67 WeakPolarHBondContact CD-OE2 3.16Å; R63-E67 IonicContact CZ-OE2 3.17Å; R63-E67 IonicContact NE-OE2 3.58Å; R63-E67 IonicContact NH1-OE2 3.87Å; R63-E67 PolarHBondContact NH1-OE2 2.65Å; R63-F189 VanDerWaalsContact NH1-CE1 3.31Å
64	S	90.6	Very high	94	Very high	45 Å²	45	41.9 Å²	41.9	32%	0.315	20%	0.203	S	C	.	.			trans	-94.1	-147.3	-179	-63	0	0	0	0	110.3	K42	K42-S64 WeakPolarHBondContact CB-O 3.48Å; K42-S64 WeakPolarHBondContact CG-O 3.5Å
65	E	88.7	Confident	94.1	Very high	136 Å²	136	35.2 Å²	35.2	64%	0.636	17%	0.174	S	C	*	.	S	Bend	trans	-67.1	-38.1	179.1	-61.5	-165.3	150.5	0	0	113.3	H167	E65-H167 PolarHBondContact O-CE1 2.78Å; E65-H167 VanDerWaalsContact O-CE1 3.25Å; E65-H167 PolarHBondContact O-ND1 2.95Å; E65-H167 VanDerWaalsContact O-ND1 3.13Å
66	D	92.6	Very high	94.3	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.07	15%	0.151	C	C	.	.	S	Bend	trans	-89.1	127.7	171.5	-165.4	-50.8	0	0	0	109.3	L68 K69 L165	D66-L68 VanDerWaalsContact C-N 3.34Å; D66-L68 WeakPolarHBondContact OD1-CA 3.23Å; D66-L68 WeakPolarHBondContact OD1-CB 3.19Å; D66-L68 PolarHBondContact OD1-N 3.19Å; D66-K69 HydrophobicContact CB-CB 4.14Å; D66-K69 PolarHBondContact OD1-N 3.27Å; D66-L165 HydrophobicContact CB-CD2 4.32Å
67	E	92.6	Very high	94.3	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.051	15%	0.152	C	C	.	.	S	Bend	trans	-77.3	-21.2	-179.9	-68.2	-82.8	164.6	0	0	113.1	R43 R63 R71 F158 V166 V168 F189	R43-E67 WeakPolarHBondContact CD-OE1 3.48Å; R43-E67 IonicContact NH1-OE1 2.79Å; R43-E67 PolarHBondContact NH1-OE1 3.38Å; R43-E67 IonicContact NH1-OE2 2.73Å; R43-E67 PolarHBondContact NH1-OE2 3.47Å; R63-E67 WeakPolarHBondContact CD-OE2 3.16Å; R63-E67 IonicContact CZ-OE2 3.17Å; R63-E67 IonicContact NE-OE2 3.58Å; R63-E67 IonicContact NH1-OE2 3.87Å; R63-E67 PolarHBondContact NH1-OE2 2.65Å; E67-R71 PolarHBondContact O-NE 3.44Å; E67-R71 PolarHBondContact O-NH2 3.02Å; E67-F158 HydrophobicContact CB-CD1 4.08Å; E67-F158 HydrophobicContact CB-CE1 3.85Å; E67-F158 HydrophobicContact CG-CD1 4.12Å; E67-F158 HydrophobicContact CG-CE1 3.78Å; E67-V166 HydrophobicContact CB-CG1 4.37Å; E67-V166 PolarHBondContact N-O 2.85Å; E67-V168 HydrophobicContact CG-CG2 4.3Å; E67-F189 HydrophobicContact CB-CE1 4.36Å; E67-F189 HydrophobicContact CB-CZ 3.77Å; E67-F189 WeakPolarHBondContact O-CE1 3.28Å
68	L	90	Very high	94.1	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.079	17%	0.172	C	C	.	.	S	Bend	trans	-93.9	-42.7	-178	-160.2	66.5	0	0	0	111.4	D66 R71 V166 F189 R190 E191	D66-L68 VanDerWaalsContact C-N 3.34Å; D66-L68 WeakPolarHBondContact OD1-CA 3.23Å; D66-L68 WeakPolarHBondContact OD1-CB 3.19Å; D66-L68 PolarHBondContact OD1-N 3.19Å; L68-R71 VanDerWaalsContact CD1-NH2 3.27Å; L68-R71 PolarHBondContact O-NE 3.41Å; L68-V166 HydrophobicContact CB-CB 4.09Å; L68-V166 HydrophobicContact CB-CG2 4Å; L68-V166 HydrophobicContact CD2-CG2 4.15Å; L68-F189 HydrophobicContact CD1-CD2 4.36Å; L68-F189 HydrophobicContact CD1-CE1 4.43Å; L68-F189 HydrophobicContact CD1-CE2 4.29Å; L68-F189 HydrophobicContact CD1-CG 4.45Å; L68-F189 HydrophobicContact CD1-CZ 4.3Å; L68-R190 VanDerWaalsContact CD1-CA 3.47Å; L68-E191 HydrophobicContact CD2-CG 4.02Å
69	K	88.9	Confident	94	Very high	95 Å²	95	34.6 Å²	34.6	41%	0.413	17%	0.171	S	C	.	.	S	Bend	trans	-94.2	158.9	-174.5	-65.1	177.7	179.5	171.1	0	113.2	D66 R71 E191	D66-K69 HydrophobicContact CB-CB 4.14Å; D66-K69 PolarHBondContact OD1-N 3.27Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.46Å; K69-E191 WeakPolarHBondContact CE-OE1 3.42Å; K69-E191 IonicContact NZ-OE1 3.76Å
70	N	86.3	Confident	93.8	Very high	133 Å²	133	38.9 Å²	38.9	71%	0.711	19%	0.192	S	C	*	.	S	Bend	trans	53.9	42.6	172.8	-57.3	-28.8	0	0	0	114
71	R	92.5	Very high	93.7	Very high	41 Å²	41	44.2 Å²	44.2	16%	0.155	22%	0.221	C	C	.	.			trans	-69.6	130.4	173.5	-65.3	173.7	-178.6	169.8	9.8	109.4	Q61 E67 L68 K69 Y73 D147 F189	Q61-R71 HydrophobicContact CG-CB 4.27Å; E67-R71 PolarHBondContact O-NE 3.44Å; E67-R71 PolarHBondContact O-NH2 3.02Å; L68-R71 VanDerWaalsContact CD1-NH2 3.27Å; L68-R71 PolarHBondContact O-NE 3.41Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.46Å; R71-Y73 HydrophobicContact CB-CE2 4.08Å; R71-D147 IonicContact CZ-OD2 2.89Å; R71-D147 IonicContact NH1-OD2 3.34Å; R71-D147 PolarHBondContact NH1-OD2 3.42Å; R71-F189 PolarHBondContact NH1-O 3.42Å; R71-F189 PolarHBondContact NH2-O 2.94Å
72	T	94.9	Very high	93.7	Very high	40 Å²	40	45.5 Å²	45.5	25%	0.245	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.3	176.3	-52.4	0	0	0	0	109	F41 Q61 G62 L74 L84	F41-T72 HydrophobicContact CE1-CG2 4.42Å; F41-T72 HydrophobicContact CZ-CG2 3.98Å; Q61-T72 CarbonylContact C-O 3.56Å; Q61-T72 WeakPolarHBondContact CA-O 3.4Å; G62-T72 PolarHBondContact N-O 2.93Å; G62-T72 PolarHBondContact O-N 3.38Å; T72-L74 HydrophobicContact CG2-CD1 4.35Å; T72-L84 HydrophobicContact CG2-CD1 3.25Å
73	Y	96.8	Very high	93.8	Very high	37 Å²	37	49.7 Å²	49.7	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.1	178.4	-61.4	-86.3	0	0	0	110.6	I59 A60 Q61 R71 L85 I143 D147	I59-Y73 HydrophobicContact CG2-CD1 4.36Å; A60-Y73 WeakPolarHBondContact O-CA 3.1Å; Q61-Y73 HydrophobicContact CB-CD1 4.15Å; Q61-Y73 HydrophobicContact CB-CE1 4.13Å; Q61-Y73 HydrophobicContact CG-CD1 4.18Å; Q61-Y73 HydrophobicContact CG-CE1 3.83Å; Q61-Y73 PolarHBondContact NE2-OH 2.93Å; R71-Y73 HydrophobicContact CB-CE2 4.08Å; Y73-L85 PolarHBondContact O-N 3.49Å; Y73-I143 HydrophobicContact CD1-CG2 3.51Å; Y73-I143 HydrophobicContact CE1-CG2 3.58Å; Y73-I143 HydrophobicContact CG-CG2 4.1Å; Y73-D147 VanDerWaalsContact OH-CG 3.29Å; Y73-D147 PolarHBondContact OH-OD2 2.81Å
74	L	97.6	Very high	93.9	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.1	174.4	-57.6	96.5	0	0	0	109.2	L35 Y39 F41 I59 A60 T72 W82 L83 L84	L35-L74 HydrophobicContact CD2-CD2 3.92Å; Y39-L74 HydrophobicContact CD2-CD2 4.34Å; Y39-L74 HydrophobicContact CE1-CD2 4.46Å; Y39-L74 HydrophobicContact CE2-CD2 3.7Å; F41-L74 HydrophobicContact CE2-CD1 4Å; F41-L74 HydrophobicContact CZ-CD1 4.2Å; I59-L74 WeakPolarHBondContact CA-O 3.24Å; A60-L74 PolarHBondContact N-O 3.26Å; A60-L74 PolarHBondContact O-N 3.03Å; T72-L74 HydrophobicContact CG2-CD1 4.35Å; L74-W82 HydrophobicContact CB-CB 4.31Å; L74-W82 HydrophobicContact CB-CE3 3.87Å; L74-W82 HydrophobicContact CD2-CB 4.05Å; L74-L83 CarbonylContact C-O 3.52Å; L74-L83 WeakPolarHBondContact CA-O 3.47Å; L74-L83 WeakPolarHBondContact CB-O 3.16Å; L74-L84 HydrophobicContact CG-CD1 4.47Å
75	Y	97.9	Very high	94.2	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	156.6	173.3	74.6	-82.8	0	0	0	111.6	Y57 F58 F77 W82 L83 L85 P108 E136 L139	Y57-Y75 AromaticContact CD1-CD2 3.84Å; Y57-Y75 HydrophobicContact CD1-CD2 3.84Å; Y57-Y75 HydrophobicContact CD1-CE2 4.48Å; Y57-Y75 HydrophobicContact CD1-CG 4.48Å; Y57-Y75 HydrophobicContact CE1-CD2 4.13Å; Y57-Y75 HydrophobicContact CE1-CE2 4.31Å; F58-Y75 CarbonylContact O-C 3.39Å; F58-Y75 VanDerWaalsContact O-CA 3.22Å; F58-Y75 WeakPolarHBondContact O-CA 3.19Å; Y75-F77 HydrophobicContact CD2-CE2 4.22Å; Y75-F77 HydrophobicContact CD2-CZ 4.31Å; Y75-F77 AromaticContact CE2-CE2 3.78Å; Y75-F77 HydrophobicContact CE2-CE2 3.78Å; Y75-F77 AromaticContact CE2-CZ 4Å; Y75-F77 HydrophobicContact CE2-CZ 4Å; Y75-W82 WeakPolarHBondContact O-CA 3.18Å; Y75-L83 HydrophobicContact CD1-CB 3.91Å; Y75-L83 WeakPolarHBondContact CD1-O 3.28Å; Y75-L83 HydrophobicContact CE1-CB 3.52Å; Y75-L83 HydrophobicContact CE1-CD1 4.37Å; Y75-L83 HydrophobicContact CE2-CB 4.13Å; Y75-L83 HydrophobicContact CE2-CD1 3.67Å; Y75-L83 HydrophobicContact CE2-CG 4.48Å; Y75-L83 HydrophobicContact CG-CB 4.43Å; Y75-L83 PolarHBondContact N-O 3.27Å; Y75-L83 PolarHBondContact O-N 2.91Å; Y75-L85 HydrophobicContact CD1-CD2 3.43Å; Y75-L85 VanDerWaalsContact CD1-CD2 3.43Å; Y75-L85 HydrophobicContact CD1-CG 3.72Å; Y75-L85 HydrophobicContact CE1-CD2 3.83Å; Y75-L85 HydrophobicContact CE1-CG 4.43Å; Y75-L85 HydrophobicContact CG-CD2 4.28Å; Y75-P108 HydrophobicContact CE2-CG 3.84Å; Y75-E136 HydrophobicContact CE1-CG 4.36Å; Y75-E136 VanDerWaalsContact CE1-OE1 3.24Å; Y75-E136 WeakPolarHBondContact CE1-OE1 3.49Å; Y75-E136 PolarHBondContact OH-OE1 3.33Å; Y75-L139 HydrophobicContact CG-CD2 4.21Å
76	S	97.6	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.2	176.8	-176.9	0	0	0	0	109.8	F58 N78 C79 D81	F58-S76 WeakPolarHBondContact CD2-O 3.15Å; F58-S76 PolarHBondContact N-O 3.32Å; F58-S76 PolarHBondContact O-N 3.39Å; S76-N78 PolarHBondContact OG-N 3.43Å; S76-N78 PolarHBondContact OG-OD1 3.06Å; S76-N78 VanDerWaalsContact OG-OD1 3.13Å; S76-C79 WeakPolarHBondContact OG-CA 3.49Å; S76-C79 PolarHBondContact OG-N 3.48Å; S76-D81 WeakPolarHBondContact CA-O 3.31Å; S76-D81 WeakPolarHBondContact CB-O 3.36Å; S76-D81 PolarHBondContact OG-O 3.44Å
77	F	96.3	Very high	94.5	Very high	64 Å²	64	51.6 Å²	51.6	28%	0.281	27%	0.273	S	S	.	.	S	Bend	trans	-99.3	-24.3	171.1	-63.4	-73.2	0	0	0	112.7	Q55 Y57 F58 Y75 P108	Q55-F77 HydrophobicContact CB-CD1 4.13Å; Q55-F77 HydrophobicContact CB-CE1 4.41Å; Y57-F77 HydrophobicContact CD1-CD1 4.41Å; Y57-F77 AromaticContact CD1-CE1 3.6Å; Y57-F77 HydrophobicContact CD1-CE1 3.6Å; Y57-F77 AromaticContact CD1-CZ 3.89Å; Y57-F77 HydrophobicContact CD1-CZ 3.89Å; Y57-F77 HydrophobicContact CE1-CD1 4.5Å; Y57-F77 AromaticContact CE1-CE1 3.35Å; Y57-F77 HydrophobicContact CE1-CE1 3.35Å; Y57-F77 AromaticContact CE1-CZ 3.36Å; Y57-F77 HydrophobicContact CE1-CZ 3.36Å; Y57-F77 HydrophobicContact CG-CE1 4.37Å; Y57-F77 AromaticContact CZ-CE1 3.91Å; F58-F77 WeakPolarHBondContact CE2-O 3.44Å; Y75-F77 HydrophobicContact CD2-CE2 4.22Å; Y75-F77 HydrophobicContact CD2-CZ 4.31Å; Y75-F77 AromaticContact CE2-CE2 3.78Å; Y75-F77 HydrophobicContact CE2-CE2 3.78Å; Y75-F77 AromaticContact CE2-CZ 4Å; Y75-F77 HydrophobicContact CE2-CZ 4Å; F77-P108 HydrophobicContact CE2-CG 4.05Å; F77-P108 HydrophobicContact CZ-CG 3.63Å
78	N	94.3	Very high	94.6	Very high	79 Å²	79	52.8 Å²	52.8	42%	0.422	28%	0.281	S	S	.	.	S	Bend	trans	-121.4	6.6	-172.3	65.2	3.1	0	0	0	113.2	S76 M80 D81	S76-N78 PolarHBondContact OG-N 3.43Å; S76-N78 PolarHBondContact OG-OD1 3.06Å; S76-N78 VanDerWaalsContact OG-OD1 3.13Å; N78-M80 PolarHBondContact O-N 2.97Å; N78-M80 VanDerWaalsContact O-N 3.16Å; N78-M80 PolarHBondContact OD1-N 3.33Å; N78-D81 PolarHBondContact ND2-OD2 2.72Å; N78-D81 PolarHBondContact OD1-N 2.96Å
79	C	95.3	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	61.7	12	-175.3	-57.6	0	0	0	0	115	A27 L28 S31 F58 S76	A27-C79 HydrophobicContact CB-CB 3.74Å; L28-C79 HydrophobicContact CD2-CB 3.6Å; L28-C79 HydrophobicContact CG-CB 3.8Å; S31-C79 WeakPolarHBondContact CB-O 3.45Å; S31-C79 PolarHBondContact OG-O 3.2Å; F58-C79 WeakPolarHBondContact CD1-SG 3.43Å; F58-C79 WeakPolarHBondContact CG-SG 3.4Å; S76-C79 WeakPolarHBondContact OG-CA 3.49Å; S76-C79 PolarHBondContact OG-N 3.48Å
80	M	93.7	Very high	94.8	Very high	91 Å²	91	58.6 Å²	58.6	45%	0.448	31%	0.314	S	S	.	.	S	Bend	trans	-120.3	-50.1	-178	-66.7	-64.8	-72.2	0	0	111.6	A27 N78	A27-M80 HydrophobicContact CB-CG 3.97Å; A27-M80 HydrophobicContact CB-SD 3.63Å; N78-M80 PolarHBondContact O-N 2.97Å; N78-M80 VanDerWaalsContact O-N 3.16Å; N78-M80 PolarHBondContact OD1-N 3.33Å
81	D	95.1	Very high	95	Very high	112 Å²	112	56.5 Å²	56.5	60%	0.599	31%	0.306	S	S	*	.	S	Bend	trans	-94.9	118	-179.8	-57	-53.6	0	0	0	109.2	S76 N78	S76-D81 WeakPolarHBondContact CA-O 3.31Å; S76-D81 WeakPolarHBondContact CB-O 3.36Å; S76-D81 PolarHBondContact OG-O 3.44Å; N78-D81 PolarHBondContact ND2-OD2 2.72Å; N78-D81 PolarHBondContact OD1-N 2.96Å
82	W	97	Very high	94.9	Very high	28 Å²	28	55.6 Å²	55.6	11%	0.106	30%	0.304	C	S	.	.			trans	-112.8	131.4	-173.6	-66.6	92	0	0	0	111.3	L28 S31 M32 L35 F58 A60 L74 Y75	L28-W82 HydrophobicContact CD2-CH2 3.98Å; L28-W82 HydrophobicContact CD2-CZ2 3.73Å; S31-W82 PolarHBondContact OG-NE1 2.82Å; M32-W82 HydrophobicContact CE-CZ2 4.45Å; L35-W82 HydrophobicContact CD1-CB 4.33Å; L35-W82 HydrophobicContact CD1-CD2 3.61Å; L35-W82 HydrophobicContact CD1-CE3 4.32Å; L35-W82 HydrophobicContact CD1-CG 3.59Å; L35-W82 HydrophobicContact CD1-CZ2 4.32Å; L35-W82 HydrophobicContact CD2-CB 3.78Å; L35-W82 HydrophobicContact CD2-CG 3.84Å; L35-W82 HydrophobicContact CG-CB 4.46Å; L35-W82 HydrophobicContact CG-CD2 4.49Å; L35-W82 HydrophobicContact CG-CG 3.98Å; F58-W82 HydrophobicContact CB-CH2 4.37Å; F58-W82 WeakPolarHBondContact O-CZ3 3.27Å; A60-W82 HydrophobicContact CB-CD2 4.49Å; A60-W82 HydrophobicContact CB-CE3 3.85Å; A60-W82 HydrophobicContact CB-CH2 3.56Å; A60-W82 HydrophobicContact CB-CZ2 4.2Å; A60-W82 HydrophobicContact CB-CZ3 3.35Å; A60-W82 VanDerWaalsContact N-CZ3 3.34Å; L74-W82 HydrophobicContact CB-CB 4.31Å; L74-W82 HydrophobicContact CB-CE3 3.87Å; L74-W82 HydrophobicContact CD2-CB 4.05Å; Y75-W82 WeakPolarHBondContact O-CA 3.18Å
83	L	97.1	Very high	94.7	Very high	87 Å²	87	56.8 Å²	56.8	46%	0.455	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.4	179.6	-61.9	170.7	0	0	0	109	L74 Y75	L74-L83 CarbonylContact C-O 3.52Å; L74-L83 WeakPolarHBondContact CA-O 3.47Å; L74-L83 WeakPolarHBondContact CB-O 3.16Å; Y75-L83 HydrophobicContact CD1-CB 3.91Å; Y75-L83 WeakPolarHBondContact CD1-O 3.28Å; Y75-L83 HydrophobicContact CE1-CB 3.52Å; Y75-L83 HydrophobicContact CE1-CD1 4.37Å; Y75-L83 HydrophobicContact CE2-CB 4.13Å; Y75-L83 HydrophobicContact CE2-CD1 3.67Å; Y75-L83 HydrophobicContact CE2-CG 4.48Å; Y75-L83 HydrophobicContact CG-CB 4.43Å; Y75-L83 PolarHBondContact N-O 3.27Å; Y75-L83 PolarHBondContact O-N 2.91Å
84	L	97	Very high	94.4	Very high	93 Å²	93	60.2 Å²	60.2	49%	0.487	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.1	-179.4	179.6	65	0	0	0	109.9	T72 L74	T72-L84 HydrophobicContact CG2-CD1 3.25Å; L74-L84 HydrophobicContact CG-CD1 4.47Å
85	L	96.3	Very high	94	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-77.2	145.8	171.5	-74.6	168.8	0	0	0	111.2	Y73 Y75 E136 L139 A140 I143	Y73-L85 PolarHBondContact O-N 3.49Å; Y75-L85 HydrophobicContact CD1-CD2 3.43Å; Y75-L85 VanDerWaalsContact CD1-CD2 3.43Å; Y75-L85 HydrophobicContact CD1-CG 3.72Å; Y75-L85 HydrophobicContact CE1-CD2 3.83Å; Y75-L85 HydrophobicContact CE1-CG 4.43Å; Y75-L85 HydrophobicContact CG-CD2 4.28Å; L85-E136 HydrophobicContact CD2-CG 4.18Å; L85-L139 HydrophobicContact CD2-CB 4.49Å; L85-L139 HydrophobicContact CD2-CD2 3.94Å; L85-L139 HydrophobicContact CD2-CG 4.14Å; L85-A140 HydrophobicContact CB-CB 4.32Å; L85-A140 HydrophobicContact CD2-CB 4.39Å; L85-I143 HydrophobicContact CD1-CD1 3.41Å; L85-I143 VanDerWaalsContact CD1-CD1 3.41Å
86	P	94.9	Very high	93.6	Very high	45 Å²	45	63.9 Å²	63.9	29%	0.292	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-62.4	148	173.7	26.6	-33.6	0	0	0	111	V88 M92 E136 A140	P86-V88 PolarHBondContact O-N 3.31Å; P86-M92 HydrophobicContact CB-CE 4.44Å; P86-M92 HydrophobicContact CG-CE 4.25Å; P86-E136 HydrophobicContact CG-CG 4.4Å; P86-A140 HydrophobicContact CG-CB 4.1Å
87	A	92.9	Very high	93.1	Very high	89 Å²	89	67.5 Å²	67.5	74%	0.736	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.9	131	171.3	0	0	0	0	0	109.2
88	V	93.6	Very high	92.5	Very high	37 Å²	37	69.5 Å²	69.5	22%	0.224	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79.5	130.8	-177.2	177.2	0	0	0	0	110.3	P86 I93 A140 V141 Q144	P86-V88 PolarHBondContact O-N 3.31Å; V88-I93 HydrophobicContact CG1-CD1 3.83Å; V88-I93 HydrophobicContact CG1-CG1 3.52Å; V88-A140 HydrophobicContact CG2-CB 3.74Å; V88-V141 HydrophobicContact CG1-CG2 3.69Å; V88-V141 HydrophobicContact CG2-CG2 4.28Å; V88-Q144 HydrophobicContact CG2-CB 4.4Å; V88-Q144 VanDerWaalsContact CG2-OE1 3.32Å
89	T	92.9	Very high	92	Very high	66 Å²	66	66.1 Å²	66.1	41%	0.405	36%	0.357	S	S	.	.			trans	-107.1	160.3	171.9	64.2	0	0	0	0	111	T91 M92 I93	T89-T91 PolarHBondContact O-N 3.47Å; T89-T91 PolarHBondContact OG1-OG1 3.38Å; T89-M92 HydrophobicContact CG2-SD 4.32Å; T89-M92 WeakPolarHBondContact O-CB 3.06Å; T89-M92 PolarHBondContact O-N 2.91Å; T89-M92 VanDerWaalsContact O-N 3.12Å; T89-M92 WeakPolarHBondContact OG1-CG 3.32Å; T89-M92 PolarHBondContact OG1-N 3.46Å; T89-M92 PolarHBondContact OG1-SD 2.94Å; T89-I93 WeakPolarHBondContact O-CG1 3.29Å; T89-I93 PolarHBondContact O-N 2.94Å; T89-I93 VanDerWaalsContact O-N 3.13Å
90	E	90.9	Very high	91.2	Very high	165 Å²	165	66.8 Å²	66.8	77%	0.771	36%	0.362	S	S	*	.	H	α-helix	trans	-57.9	-38.2	176.4	-67.4	178.4	-178.4	0	0	112	M92 I93 E94	E90-M92 PolarHBondContact O-N 3.26Å; E90-I93 WeakPolarHBondContact O-CB 3.46Å; E90-I93 PolarHBondContact O-N 3.27Å; E90-E94 PolarHBondContact O-N 3.01Å; E90-E94 VanDerWaalsContact O-N 3.09Å
91	T	90	Very high	90.7	Very high	89 Å²	89	69.7 Å²	69.7	55%	0.546	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-43	175.6	57.2	0	0	0	0	112.3	T89 I93 E94 E95	T89-T91 PolarHBondContact O-N 3.47Å; T89-T91 PolarHBondContact OG1-OG1 3.38Å; T91-I93 VanDerWaalsContact C-N 3.31Å; T91-I93 PolarHBondContact O-N 3.42Å; T91-E94 PolarHBondContact O-N 2.71Å; T91-E95 WeakPolarHBondContact O-CG 3.48Å; T91-E95 PolarHBondContact O-N 3.12Å
92	M	90.6	Very high	90.4	Very high	23 Å²	23	65.9 Å²	65.9	11%	0.113	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-39.2	176.6	-70.1	167.8	70.4	0	0	111.4	P86 T89 E90 E95 V96 N137 V141	P86-M92 HydrophobicContact CB-CE 4.44Å; P86-M92 HydrophobicContact CG-CE 4.25Å; T89-M92 HydrophobicContact CG2-SD 4.32Å; T89-M92 WeakPolarHBondContact O-CB 3.06Å; T89-M92 PolarHBondContact O-N 2.91Å; T89-M92 VanDerWaalsContact O-N 3.12Å; T89-M92 WeakPolarHBondContact OG1-CG 3.32Å; T89-M92 PolarHBondContact OG1-N 3.46Å; T89-M92 PolarHBondContact OG1-SD 2.94Å; E90-M92 PolarHBondContact O-N 3.26Å; M92-E95 PolarHBondContact O-N 2.88Å; M92-V96 VanDerWaalsContact O-CB 3.29Å; M92-V96 WeakPolarHBondContact O-CB 3.42Å; M92-V96 WeakPolarHBondContact O-CG2 3.38Å; M92-V96 PolarHBondContact O-N 3.45Å; M92-N137 HydrophobicContact CE-CB 3.83Å; M92-V141 HydrophobicContact CB-CG2 4.12Å
93	I	91.3	Very high	90.1	Very high	65 Å²	65	69.3 Å²	69.3	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-45.6	178	-63.6	170.6	0	0	0	110.3	V88 T89 E90 T91 T97 V141	V88-I93 HydrophobicContact CG1-CD1 3.83Å; V88-I93 HydrophobicContact CG1-CG1 3.52Å; T89-I93 WeakPolarHBondContact O-CG1 3.29Å; T89-I93 PolarHBondContact O-N 2.94Å; T89-I93 VanDerWaalsContact O-N 3.13Å; E90-I93 WeakPolarHBondContact O-CB 3.46Å; E90-I93 PolarHBondContact O-N 3.27Å; T91-I93 VanDerWaalsContact C-N 3.31Å; T91-I93 PolarHBondContact O-N 3.42Å; I93-T97 VanDerWaalsContact O-CB 3.27Å; I93-T97 WeakPolarHBondContact O-CB 3.25Å; I93-T97 PolarHBondContact O-N 3.34Å; I93-T97 PolarHBondContact O-OG1 2.77Å; I93-V141 HydrophobicContact CB-CG1 4.46Å; I93-V141 HydrophobicContact CG1-CG1 4.13Å; I93-V141 HydrophobicContact CG1-CG2 4.12Å
94	E	90.3	Very high	90	Very high	108 Å²	108	65.2 Å²	65.2	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-46.5	178.9	-72.4	-169.2	-160.9	0	0	112.6	E90 T91 T97 K98	E90-E94 PolarHBondContact O-N 3.01Å; E90-E94 VanDerWaalsContact O-N 3.09Å; T91-E94 PolarHBondContact O-N 2.71Å; E94-T97 PolarHBondContact O-N 2.74Å; E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 WeakPolarHBondContact O-CD 3.48Å; E94-K98 VanDerWaalsContact O-CG 3.24Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 2.81Å; E94-K98 IonicContact OE2-NZ 2.74Å; E94-K98 PolarHBondContact OE2-NZ 2.88Å; E94-K98 VanDerWaalsContact OE2-NZ 3.13Å
95	E	88.6	Confident	89.9	Confident	78 Å²	78	62.2 Å²	62.2	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-48.1	179.1	-71.4	173.5	-175.9	0	0	111.2	T91 M92 T97 K98 T99 V133	T91-E95 WeakPolarHBondContact O-CG 3.48Å; T91-E95 PolarHBondContact O-N 3.12Å; M92-E95 PolarHBondContact O-N 2.88Å; E95-T97 VanDerWaalsContact C-N 3.33Å; E95-T97 PolarHBondContact O-N 2.97Å; E95-K98 PolarHBondContact O-N 3.11Å; E95-T99 WeakPolarHBondContact O-CB 3.41Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 3.06Å; E95-V133 HydrophobicContact CB-CG2 3.78Å
96	V	89.1	Confident	89.8	Confident	10 Å²	10	62 Å²	62	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-44.4	177.4	168.7	0	0	0	0	110.9	M92 K98 T99 A100 V133 R138 V141	M92-V96 VanDerWaalsContact O-CB 3.29Å; M92-V96 WeakPolarHBondContact O-CB 3.42Å; M92-V96 WeakPolarHBondContact O-CG2 3.38Å; M92-V96 PolarHBondContact O-N 3.45Å; V96-K98 VanDerWaalsContact C-N 3.29Å; V96-K98 PolarHBondContact O-N 3.28Å; V96-T99 PolarHBondContact O-N 3.22Å; V96-A100 HydrophobicContact CG1-CB 4.25Å; V96-A100 WeakPolarHBondContact O-CB 3.17Å; V96-A100 PolarHBondContact O-N 2.93Å; V96-V133 HydrophobicContact CG2-CG1 3.53Å; V96-R138 HydrophobicContact CG1-CB 4.38Å; V96-R138 HydrophobicContact CG1-CG 4.04Å; V96-R138 HydrophobicContact CG2-CB 4.37Å; V96-V141 HydrophobicContact CB-CB 4.27Å; V96-V141 HydrophobicContact CB-CG1 4.06Å; V96-V141 HydrophobicContact CB-CG2 4.31Å; V96-V141 HydrophobicContact CG1-CB 4.1Å; V96-V141 HydrophobicContact CG1-CG1 3.82Å; V96-V141 HydrophobicContact CG2-CB 4.1Å; V96-V141 HydrophobicContact CG2-CG1 4.44Å; V96-V141 HydrophobicContact CG2-CG2 3.86Å
97	T	86.9	Confident	89.8	Confident	77 Å²	77	62.8 Å²	62.8	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-34.9	-178.6	-58.3	0	0	0	0	112.2	I93 E94 E95	I93-T97 VanDerWaalsContact O-CB 3.27Å; I93-T97 WeakPolarHBondContact O-CB 3.25Å; I93-T97 PolarHBondContact O-N 3.34Å; I93-T97 PolarHBondContact O-OG1 2.77Å; E94-T97 PolarHBondContact O-N 2.74Å; E95-T97 VanDerWaalsContact C-N 3.33Å; E95-T97 PolarHBondContact O-N 2.97Å
98	K	84.3	Confident	89.8	Confident	105 Å²	105	59.6 Å²	59.6	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-74.5	-47.2	178.7	-71.9	165.6	-172	162.4	0	111.2	E94 E95 V96 Q114	E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 WeakPolarHBondContact O-CD 3.48Å; E94-K98 VanDerWaalsContact O-CG 3.24Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 2.81Å; E94-K98 IonicContact OE2-NZ 2.74Å; E94-K98 PolarHBondContact OE2-NZ 2.88Å; E94-K98 VanDerWaalsContact OE2-NZ 3.13Å; E95-K98 PolarHBondContact O-N 3.11Å; V96-K98 VanDerWaalsContact C-N 3.29Å; V96-K98 PolarHBondContact O-N 3.28Å; K98-Q114 PolarHBondContact O-OE1 3.08Å
99	T	83.7	Confident	89.8	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-96.9	-40.9	-164.6	-58.7	0	0	0	0	114.3	E95 V96 Y112 Q114 T131 V133	E95-T99 WeakPolarHBondContact O-CB 3.41Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 3.06Å; V96-T99 PolarHBondContact O-N 3.22Å; T99-Y112 WeakPolarHBondContact CG2-O 3.42Å; T99-Q114 HydrophobicContact CG2-CB 3.85Å; T99-T131 PolarHBondContact OG1-OG1 3.07Å; T99-V133 HydrophobicContact CG2-CB 4.5Å; T99-V133 HydrophobicContact CG2-CG2 4.31Å
100	A	79.1	Confident	89.8	Confident	14 Å²	14	64.1 Å²	64.1	12%	0.116	34%	0.335	C	S	.	.			trans	-96.5	112.6	-167.3	0	0	0	0	0	112.1	V96 Y112 R138	V96-A100 HydrophobicContact CG1-CB 4.25Å; V96-A100 WeakPolarHBondContact O-CB 3.17Å; V96-A100 PolarHBondContact O-N 2.93Å; A100-Y112 HydrophobicContact CB-CD1 4.38Å; A100-Y112 HydrophobicContact CB-CD2 4.41Å; A100-Y112 HydrophobicContact CB-CG 4.16Å; A100-R138 HydrophobicContact CB-CB 4.47Å; A100-R138 HydrophobicContact CB-CG 3.82Å
101	K	82.7	Confident	89.9	Confident	151 Å²	151	59.1 Å²	59.1	66%	0.657	32%	0.315	S	S	*	.			trans	-132.9	155.5	176.6	-62.5	179.4	-173.3	171.3	0	110.9
102	G	88.1	Confident	89.8	Confident	33 Å²	33	55.8 Å²	55.8	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	90.7	-158	176	0	0	0	0	0	113.7	R138 L266	G102-R138 PolarHBondContact O-NH2 3.42Å; G102-L266 WeakPolarHBondContact O-CD2 3.37Å
103	H	91.7	Very high	89.5	Confident	100 Å²	100	59.7 Å²	59.7	46%	0.463	31%	0.311	S	S	.	.			trans	-77.8	160.1	-177.3	-64.9	89.2	0	0	0	111.8	I53 R138	I53-H103 HydrophobicContact CD1-CB 4.11Å; I53-H103 HydrophobicContact CG1-CB 4.07Å; H103-R138 PolarHBondContact O-NH1 3.03Å
104	F	95.4	Very high	88.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-73.5	146.6	168.4	-77.6	-91.7	0	0	0	110	L50 G52 I53 Y57 E135 R138 L139 T142	L50-F104 HydrophobicContact CD2-CE2 4.47Å; G52-F104 CarbonylContact C-O 3.59Å; G52-F104 VanDerWaalsContact CA-O 3.3Å; G52-F104 WeakPolarHBondContact CA-O 3.47Å; I53-F104 WeakPolarHBondContact CG1-O 3.3Å; I53-F104 PolarHBondContact N-O 3.45Å; Y57-F104 HydrophobicContact CE2-CB 4.43Å; Y57-F104 HydrophobicContact CE2-CD1 4.38Å; F104-E135 HydrophobicContact CD1-CG 3.83Å; F104-E135 HydrophobicContact CE1-CG 4.35Å; F104-R138 HydrophobicContact CE1-CB 4.42Å; F104-R138 HydrophobicContact CE1-CG 3.89Å; F104-R138 HydrophobicContact CZ-CG 4.07Å; F104-L139 HydrophobicContact CE1-CB 4.11Å; F104-L139 HydrophobicContact CE1-CD1 4.18Å; F104-L139 HydrophobicContact CZ-CD1 4.45Å; F104-T142 HydrophobicContact CE2-CG2 4.23Å; F104-T142 HydrophobicContact CZ-CG2 4.13Å
105	I	94.9	Very high	87	Confident	31 Å²	31	58.5 Å²	58.5	16%	0.159	31%	0.307	C	S	.	.			trans	-80.8	-36.5	175.9	-58	-54.4	0	0	0	110.5	I53 K54 Y110 E135	I53-I105 HydrophobicContact CD1-CD1 4.01Å; I53-I105 PolarHBondContact N-O 3.32Å; K54-I105 WeakPolarHBondContact CA-O 3.5Å; K54-I105 VanDerWaalsContact CB-O 3.23Å; K54-I105 WeakPolarHBondContact CB-O 3.27Å; K54-I105 HydrophobicContact CD-CG2 3.88Å; K54-I105 HydrophobicContact CG-CG2 4.19Å; K54-I105 WeakPolarHBondContact CG-O 3.37Å; K54-I105 PolarHBondContact N-O 3.09Å; I105-Y110 HydrophobicContact CB-CD1 4.41Å; I105-Y110 HydrophobicContact CB-CG 4.33Å; I105-Y110 HydrophobicContact CG1-CD1 3.65Å; I105-Y110 HydrophobicContact CG1-CD2 4.23Å; I105-Y110 HydrophobicContact CG1-CE1 3.72Å; I105-Y110 HydrophobicContact CG1-CE2 4.3Å; I105-Y110 HydrophobicContact CG1-CG 3.92Å; I105-E135 WeakPolarHBondContact CB-OE2 3.43Å; I105-E135 PolarHBondContact N-OE1 3.36Å; I105-E135 PolarHBondContact N-OE2 3.07Å
106	G	94.1	Very high	85.4	Confident	6 Å²	6	57.5 Å²	57.5	6%	0.062	30%	0.304	C	S	.	.	S	Bend	trans	93	26	-170.6	0	0	0	0	0	113.2	Q55 Y57 E135	Q55-G106 VanDerWaalsContact O-CA 3.32Å; Q55-G106 WeakPolarHBondContact O-CA 3.35Å; Y57-G106 VanDerWaalsContact OH-C 3.25Å; G106-E135 PolarHBondContact N-OE1 3.18Å
107	D	94.3	Very high	83.5	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	33%	0.332	S	S	.	.			trans	-135.9	112.7	174.1	-178.9	-6.9	0	0	0	109.5	Y57 S109 Y110 E135	Y57-D107 VanDerWaalsContact OH-C 3.24Å; Y57-D107 PolarHBondContact OH-N 3.37Å; D107-S109 PolarHBondContact O-N 2.88Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.46Å; D107-S109 PolarHBondContact OD1-N 3.15Å; D107-Y110 VanDerWaalsContact O-CB 3.27Å; D107-Y110 WeakPolarHBondContact O-CB 3.21Å; D107-Y110 PolarHBondContact O-N 2.95Å; D107-E135 VanDerWaalsContact O-CB 3.23Å; D107-E135 WeakPolarHBondContact O-CB 3.39Å
108	P	93.6	Very high	81.8	Confident	23 Å²	23	66.7 Å²	66.7	15%	0.149	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.9	-178.5	-21.7	32.8	0	0	0	113.7	Y57 Y75 F77 Y110 E136	Y57-P108 HydrophobicContact CE1-CG 4.19Å; Y75-P108 HydrophobicContact CE2-CG 3.84Å; F77-P108 HydrophobicContact CE2-CG 4.05Å; F77-P108 HydrophobicContact CZ-CG 3.63Å; P108-Y110 VanDerWaalsContact C-N 3.32Å; P108-E136 HydrophobicContact CB-CB 4.1Å; P108-E136 PolarHBondContact O-N 2.93Å
109	S	93.6	Very high	79.7	Confident	98 Å²	98	67.4 Å²	67.4	69%	0.685	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.7	-178.1	-58.3	0	0	0	0	113	D107	D107-S109 PolarHBondContact O-N 2.88Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.46Å; D107-S109 PolarHBondContact OD1-N 3.15Å
110	Y	92.8	Very high	78	Confident	100 Å²	100	70.8 Å²	70.8	39%	0.392	37%	0.365	S	S	.	.			trans	-64.5	137.4	177	-177.5	-99.8	0	0	0	110.6	I105 D107 P108 Y112 S134 E135	I105-Y110 HydrophobicContact CB-CD1 4.41Å; I105-Y110 HydrophobicContact CB-CG 4.33Å; I105-Y110 HydrophobicContact CG1-CD1 3.65Å; I105-Y110 HydrophobicContact CG1-CD2 4.23Å; I105-Y110 HydrophobicContact CG1-CE1 3.72Å; I105-Y110 HydrophobicContact CG1-CE2 4.3Å; I105-Y110 HydrophobicContact CG1-CG 3.92Å; D107-Y110 VanDerWaalsContact O-CB 3.27Å; D107-Y110 WeakPolarHBondContact O-CB 3.21Å; D107-Y110 PolarHBondContact O-N 2.95Å; P108-Y110 VanDerWaalsContact C-N 3.32Å; Y110-Y112 HydrophobicContact CD1-CD1 4.47Å; Y110-Y112 HydrophobicContact CD1-CD2 4.03Å; Y110-Y112 HydrophobicContact CD1-CE1 4.13Å; Y110-Y112 AromaticContact CD1-CE2 3.61Å; Y110-Y112 HydrophobicContact CD1-CE2 3.61Å; Y110-Y112 HydrophobicContact CD1-CG 4.41Å; Y110-Y112 AromaticContact CD1-CZ 3.64Å; Y110-Y112 AromaticContact CE1-CD1 3.87Å; Y110-Y112 HydrophobicContact CE1-CD1 3.87Å; Y110-Y112 HydrophobicContact CE1-CD2 4.19Å; Y110-Y112 AromaticContact CE1-CE1 3.67Å; Y110-Y112 HydrophobicContact CE1-CE1 3.67Å; Y110-Y112 AromaticContact CE1-CE2 3.97Å; Y110-Y112 HydrophobicContact CE1-CE2 3.97Å; Y110-Y112 HydrophobicContact CE1-CG 4.11Å; Y110-Y112 AromaticContact CE1-CZ 3.68Å; Y110-S134 CarbonylContact O-C 3.5Å; Y110-S134 WeakPolarHBondContact O-CA 3.31Å; Y110-E135 PolarHBondContact O-N 3.45Å
111	V	92.2	Very high	76.8	Confident	60 Å²	60	79.8 Å²	79.8	36%	0.364	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.2	-177.4	-177.8	0	0	0	0	109.4	E113 R132 V133	V111-E113 HydrophobicContact CG1-CG 4.25Å; V111-R132 HydrophobicContact CG1-CB 3.77Å; V111-R132 HydrophobicContact CG1-CG 4.01Å; V111-V133 WeakPolarHBondContact CA-O 3.41Å
112	Y	87.4	Confident	75.2	Confident	18 Å²	18	76.9 Å²	76.9	7%	0.071	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.2	169.5	-62.4	-92.6	0	0	0	108.9	T99 A100 Y110 R132 V133 E135 R138	T99-Y112 WeakPolarHBondContact CG2-O 3.42Å; A100-Y112 HydrophobicContact CB-CD1 4.38Å; A100-Y112 HydrophobicContact CB-CD2 4.41Å; A100-Y112 HydrophobicContact CB-CG 4.16Å; Y110-Y112 HydrophobicContact CD1-CD1 4.47Å; Y110-Y112 HydrophobicContact CD1-CD2 4.03Å; Y110-Y112 HydrophobicContact CD1-CE1 4.13Å; Y110-Y112 AromaticContact CD1-CE2 3.61Å; Y110-Y112 HydrophobicContact CD1-CE2 3.61Å; Y110-Y112 HydrophobicContact CD1-CG 4.41Å; Y110-Y112 AromaticContact CD1-CZ 3.64Å; Y110-Y112 AromaticContact CE1-CD1 3.87Å; Y110-Y112 HydrophobicContact CE1-CD1 3.87Å; Y110-Y112 HydrophobicContact CE1-CD2 4.19Å; Y110-Y112 AromaticContact CE1-CE1 3.67Å; Y110-Y112 HydrophobicContact CE1-CE1 3.67Å; Y110-Y112 AromaticContact CE1-CE2 3.97Å; Y110-Y112 HydrophobicContact CE1-CE2 3.97Å; Y110-Y112 HydrophobicContact CE1-CG 4.11Å; Y110-Y112 AromaticContact CE1-CZ 3.68Å; Y112-R132 WeakPolarHBondContact O-CA 3.49Å; Y112-V133 PolarHBondContact N-O 3.5Å; Y112-V133 PolarHBondContact O-N 2.95Å; Y112-E135 HydrophobicContact CE2-CB 3.82Å; Y112-E135 HydrophobicContact CE2-CG 4.05Å; Y112-E135 PolarHBondContact OH-OE2 3.46Å; Y112-R138 VanDerWaalsContact CE1-NH1 3.33Å; Y112-R138 PolarHBondContact OH-NH1 2.86Å
113	E	84.7	Confident	73.5	Confident	106 Å²	106	85.3 Å²	85.3	50%	0.495	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132	179.3	-53.5	-169.2	153.1	0	0	109.2	V111 R132	V111-E113 HydrophobicContact CG1-CG 4.25Å; E113-R132 HydrophobicContact CG-CG 4.28Å; E113-R132 IonicContact OE1-CZ 3.14Å; E113-R132 IonicContact OE1-NE 2.76Å; E113-R132 PolarHBondContact OE1-NE 2.73Å; E113-R132 IonicContact OE1-NH2 2.68Å; E113-R132 PolarHBondContact OE1-NH2 2.68Å
114	Q	68.9	Low	71.5	Confident	58 Å²	58	88 Å²	88	27%	0.271	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.6	169.5	-174.2	158.2	-25.9	0	0	109.8	K98 T99 L116	K98-Q114 PolarHBondContact O-OE1 3.08Å; T99-Q114 HydrophobicContact CG2-CB 3.85Å; Q114-L116 PolarHBondContact O-N 3.36Å
115	N	60.8	Low	69.3	Low	90 Å²	90	96.9 Å²	96.9	48%	0.481	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	109.8	176.3	-62.3	-14.9	0	0	0	108.2
116	L	54.5	Low	67	Low	56 Å²	56	97.7 Å²	97.7	29%	0.293	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116	170.6	-67.1	171.7	0	0	0	108.4	Q114 F118	Q114-L116 PolarHBondContact O-N 3.36Å; L116-F118 HydrophobicContact CB-CD2 4.48Å; L116-F118 HydrophobicContact CB-CE2 3.88Å; L116-F118 HydrophobicContact CB-CZ 4.28Å; L116-F118 HydrophobicContact CD1-CE2 4.47Å; L116-F118 HydrophobicContact CD1-CZ 4.31Å
117	Y	50.5	Low	64.9	Low	170 Å²	170	104.6 Å²	104.6	67%	0.667	53%	0.527	S	S	*	.			trans	-87.2	114.6	167.6	-69.9	-85	0	0	0	108.3	P119	Y117-P119 WeakPolarHBondContact O-CD 3.34Å
118	F	50.1	Low	63	Low	111 Å²	111	106.1 Å²	106.1	49%	0.487	53%	0.534	S	S	.	.			trans	-93.9	110.1	164.7	-64.8	-81.2	0	0	0	107.5	L116 I120 N129	L116-F118 HydrophobicContact CB-CD2 4.48Å; L116-F118 HydrophobicContact CB-CE2 3.88Å; L116-F118 HydrophobicContact CB-CZ 4.28Å; L116-F118 HydrophobicContact CD1-CE2 4.47Å; L116-F118 HydrophobicContact CD1-CZ 4.31Å; F118-I120 PolarHBondContact O-N 3.23Å; F118-N129 HydrophobicContact CE2-CB 4.44Å
119	P	40.8	Very low	61.4	Low	119 Å²	119	110 Å²	110	77%	0.773	55%	0.554	S	S	*	*			trans	-69.2	103.9	167.7	27.2	-28.4	0	0	0	107.1	Y117	Y117-P119 WeakPolarHBondContact O-CD 3.34Å
120	I	48.3	Very low	60	Low	80 Å²	80	108.3 Å²	108.3	41%	0.41	54%	0.539	S	S	.	.			trans	-74.5	124	166.7	-52.8	175.7	0	0	0	105.3	F118 T122	F118-I120 PolarHBondContact O-N 3.23Å; I120-T122 VanDerWaalsContact CG2-OG1 3.25Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.25Å; I120-T122 PolarHBondContact O-N 3.35Å
121	E	52.5	Low	59.3	Low	203 Å²	203	105.4 Å²	105.4	95%	0.949	53%	0.532	S	S	*	.	S	Bend	trans	-70	9.2	178.9	-75.2	-172.1	158.2	0	0	113.7
122	T	50.3	Low	58.9	Low	91 Å²	91	110.4 Å²	110.4	56%	0.558	54%	0.544	S	S	*	.	S	Bend	trans	-120	143.1	173.7	40	0	0	0	0	109.2	I120 E124	I120-T122 VanDerWaalsContact CG2-OG1 3.25Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.25Å; I120-T122 PolarHBondContact O-N 3.35Å; T122-E124 PolarHBondContact O-N 3.3Å
123	E	51.3	Low	59.1	Low	210 Å²	210	109.7 Å²	109.7	98%	0.981	54%	0.541	S	S	*	.	S	Bend	trans	-62.2	32.1	-175.1	-63.7	178.9	146	0	0	115.4
124	E	50.7	Low	59.6	Low	155 Å²	155	106 Å²	106	72%	0.724	53%	0.527	S	S	*	.	S	Bend	trans	-105.1	133.5	172.4	-68.2	-177.4	168.1	0	0	108.9	T122 A126	T122-E124 PolarHBondContact O-N 3.3Å; E124-A126 PolarHBondContact O-N 3.49Å
125	E	48.1	Very low	60.8	Low	187 Å²	187	103.2 Å²	103.2	87%	0.874	51%	0.514	S	S	*	.			trans	-41.8	123.4	-173.3	-64	175.1	158.2	0	0	112.5	E127	E125-E127 PolarHBondContact O-N 3.07Å
126	A	46.5	Very low	62.5	Low	49 Å²	49	101.6 Å²	101.6	41%	0.405	50%	0.504	S	S	.	.			trans	-57.7	111.8	177.6	0	0	0	0	0	110.5	E124 I128	E124-A126 PolarHBondContact O-N 3.49Å; A126-I128 PolarHBondContact O-N 3.27Å; A126-I128 VanDerWaalsContact O-N 3.09Å
127	E	50.8	Low	64.4	Low	151 Å²	151	101.1 Å²	101.1	71%	0.706	50%	0.502	S	S	*	.			trans	-63	111.4	173.6	-82.8	-173.7	153.3	0	0	110	E125 N129	E125-E127 PolarHBondContact O-N 3.07Å; E127-N129 PolarHBondContact O-N 3.24Å; E127-N129 VanDerWaalsContact O-N 3.11Å
128	I	53.8	Low	66.6	Low	94 Å²	94	93.4 Å²	93.4	48%	0.482	47%	0.471	S	S	.	.			trans	-77.8	94.6	173.9	-53.7	174.9	0	0	0	108	A126 V130	A126-I128 PolarHBondContact O-N 3.27Å; A126-I128 VanDerWaalsContact O-N 3.09Å; I128-V130 HydrophobicContact CG2-CG2 3.69Å; I128-V130 PolarHBondContact O-N 3.48Å
129	N	59.7	Low	68.8	Low	104 Å²	104	88.2 Å²	88.2	56%	0.556	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	102.2	168.3	-107.2	-28.6	0	0	0	109.3	F118 E127	F118-N129 HydrophobicContact CE2-CB 4.44Å; E127-N129 PolarHBondContact O-N 3.24Å; E127-N129 VanDerWaalsContact O-N 3.11Å
130	V	65.6	Low	71.4	Confident	63 Å²	63	82.8 Å²	82.8	38%	0.382	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.4	175	-174.8	0	0	0	0	108.9	I128 R132	I128-V130 HydrophobicContact CG2-CG2 3.69Å; I128-V130 PolarHBondContact O-N 3.48Å; V130-R132 HydrophobicContact CG1-CG 4.11Å
131	T	77.4	Confident	73.7	Confident	38 Å²	38	79.2 Å²	79.2	23%	0.233	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.8	169.6	49.9	0	0	0	0	109.7	T99	T99-T131 PolarHBondContact OG1-OG1 3.07Å
132	R	84.8	Confident	75.8	Confident	166 Å²	166	70 Å²	70	63%	0.626	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.8	179.8	-74.4	-176.6	150.3	156.1	-2.9	110	V111 Y112 E113 V130	V111-R132 HydrophobicContact CG1-CB 3.77Å; V111-R132 HydrophobicContact CG1-CG 4.01Å; Y112-R132 WeakPolarHBondContact O-CA 3.49Å; E113-R132 HydrophobicContact CG-CG 4.28Å; E113-R132 IonicContact OE1-CZ 3.14Å; E113-R132 IonicContact OE1-NE 2.76Å; E113-R132 PolarHBondContact OE1-NE 2.73Å; E113-R132 IonicContact OE1-NH2 2.68Å; E113-R132 PolarHBondContact OE1-NH2 2.68Å; V130-R132 HydrophobicContact CG1-CG 4.11Å
133	V	91.1	Very high	78	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.8	-178.5	175.3	0	0	0	0	109.2	E95 V96 T99 V111 Y112 N137 R138	E95-V133 HydrophobicContact CB-CG2 3.78Å; V96-V133 HydrophobicContact CG2-CG1 3.53Å; T99-V133 HydrophobicContact CG2-CB 4.5Å; T99-V133 HydrophobicContact CG2-CG2 4.31Å; V111-V133 WeakPolarHBondContact CA-O 3.41Å; Y112-V133 PolarHBondContact N-O 3.5Å; Y112-V133 PolarHBondContact O-N 2.95Å; V133-N137 HydrophobicContact CG1-CB 4.37Å; V133-R138 HydrophobicContact CG1-CB 4.4Å
134	S	94.3	Very high	80	Confident	29 Å²	29	58.9 Å²	58.9	20%	0.203	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	151.1	172.6	65.7	0	0	0	0	111.3	Y110 E136 N137 R138	Y110-S134 CarbonylContact O-C 3.5Å; Y110-S134 WeakPolarHBondContact O-CA 3.31Å; S134-E136 PolarHBondContact O-N 3.17Å; S134-N137 PolarHBondContact O-N 3.04Å; S134-N137 WeakPolarHBondContact OG-CB 3.35Å; S134-N137 PolarHBondContact OG-N 3.08Å; S134-N137 PolarHBondContact OG-ND2 2.93Å; S134-N137 PolarHBondContact OG-OD1 2.95Å; S134-R138 PolarHBondContact O-N 3.24Å
135	E	95.1	Very high	82.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-32.5	175.2	-172.3	151.5	149.6	0	0	112	Y57 F104 I105 G106 D107 Y110 Y112 R138 L139	Y57-E135 PolarHBondContact OH-OE1 3.35Å; F104-E135 HydrophobicContact CD1-CG 3.83Å; F104-E135 HydrophobicContact CE1-CG 4.35Å; I105-E135 WeakPolarHBondContact CB-OE2 3.43Å; I105-E135 PolarHBondContact N-OE1 3.36Å; I105-E135 PolarHBondContact N-OE2 3.07Å; G106-E135 PolarHBondContact N-OE1 3.18Å; D107-E135 VanDerWaalsContact O-CB 3.23Å; D107-E135 WeakPolarHBondContact O-CB 3.39Å; Y110-E135 PolarHBondContact O-N 3.45Å; Y112-E135 HydrophobicContact CE2-CB 3.82Å; Y112-E135 HydrophobicContact CE2-CG 4.05Å; Y112-E135 PolarHBondContact OH-OE2 3.46Å; E135-R138 WeakPolarHBondContact O-CB 3.1Å; E135-R138 PolarHBondContact O-N 3.2Å; E135-L139 VanDerWaalsContact O-CB 3.23Å; E135-L139 WeakPolarHBondContact O-CB 3.36Å; E135-L139 PolarHBondContact O-N 3.04Å
136	E	96.1	Very high	84.4	Confident	56 Å²	56	45.9 Å²	45.9	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-43.9	173.1	-170.5	171	-126.3	0	0	112.4	Y75 L85 P86 P108 S134 L139 A140	Y75-E136 HydrophobicContact CE1-CG 4.36Å; Y75-E136 VanDerWaalsContact CE1-OE1 3.24Å; Y75-E136 WeakPolarHBondContact CE1-OE1 3.49Å; Y75-E136 PolarHBondContact OH-OE1 3.33Å; L85-E136 HydrophobicContact CD2-CG 4.18Å; P86-E136 HydrophobicContact CG-CG 4.4Å; P108-E136 HydrophobicContact CB-CB 4.1Å; P108-E136 PolarHBondContact O-N 2.93Å; S134-E136 PolarHBondContact O-N 3.17Å; E136-L139 WeakPolarHBondContact O-CB 3.43Å; E136-L139 PolarHBondContact O-N 2.61Å; E136-A140 PolarHBondContact O-N 2.78Å
137	N	95.2	Very high	86.6	Confident	46 Å²	46	43.7 Å²	43.7	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176.3	-72.4	-6.3	0	0	0	111.1	M92 V133 S134 L139 A140 V141	M92-N137 HydrophobicContact CE-CB 3.83Å; V133-N137 HydrophobicContact CG1-CB 4.37Å; S134-N137 PolarHBondContact O-N 3.04Å; S134-N137 WeakPolarHBondContact OG-CB 3.35Å; S134-N137 PolarHBondContact OG-N 3.08Å; S134-N137 PolarHBondContact OG-ND2 2.93Å; S134-N137 PolarHBondContact OG-OD1 2.95Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 2.88Å; N137-A140 PolarHBondContact O-N 2.84Å; N137-V141 WeakPolarHBondContact O-CG2 3.29Å; N137-V141 PolarHBondContact O-N 3.4Å
138	R	95.2	Very high	88.6	Confident	8 Å²	8	39.9 Å²	39.9	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-43.6	173.7	-178.5	-165.3	177.7	-173	-9	111.4	V96 A100 G102 H103 F104 Y112 V133 S134 E135 V141 T142	V96-R138 HydrophobicContact CG1-CB 4.38Å; V96-R138 HydrophobicContact CG1-CG 4.04Å; V96-R138 HydrophobicContact CG2-CB 4.37Å; A100-R138 HydrophobicContact CB-CB 4.47Å; A100-R138 HydrophobicContact CB-CG 3.82Å; G102-R138 PolarHBondContact O-NH2 3.42Å; H103-R138 PolarHBondContact O-NH1 3.03Å; F104-R138 HydrophobicContact CE1-CB 4.42Å; F104-R138 HydrophobicContact CE1-CG 3.89Å; F104-R138 HydrophobicContact CZ-CG 4.07Å; Y112-R138 VanDerWaalsContact CE1-NH1 3.33Å; Y112-R138 PolarHBondContact OH-NH1 2.86Å; V133-R138 HydrophobicContact CG1-CB 4.4Å; S134-R138 PolarHBondContact O-N 3.24Å; E135-R138 WeakPolarHBondContact O-CB 3.1Å; E135-R138 PolarHBondContact O-N 3.2Å; R138-V141 PolarHBondContact O-N 3.31Å; R138-T142 WeakPolarHBondContact O-CB 3.29Å; R138-T142 PolarHBondContact O-N 3.44Å; R138-T142 PolarHBondContact O-OG1 2.9Å
139	L	96.6	Very high	90.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-49.2	179.8	179.4	61.1	0	0	0	110.5	L50 Y57 I59 Y75 L85 F104 E135 E136 N137 V141 T142 I143	L50-L139 HydrophobicContact CD1-CD1 3.34Å; Y57-L139 HydrophobicContact CD1-CD2 3.49Å; Y57-L139 VanDerWaalsContact CD1-CD2 3.49Å; Y57-L139 HydrophobicContact CD2-CD1 4.42Å; Y57-L139 HydrophobicContact CD2-CD2 4.42Å; Y57-L139 HydrophobicContact CE1-CD2 3.72Å; Y57-L139 HydrophobicContact CG-CD1 4.3Å; Y57-L139 HydrophobicContact CG-CD2 3.86Å; I59-L139 HydrophobicContact CD1-CD1 4.35Å; I59-L139 HydrophobicContact CD1-CD2 4.45Å; Y75-L139 HydrophobicContact CG-CD2 4.21Å; L85-L139 HydrophobicContact CD2-CB 4.49Å; L85-L139 HydrophobicContact CD2-CD2 3.94Å; L85-L139 HydrophobicContact CD2-CG 4.14Å; F104-L139 HydrophobicContact CE1-CB 4.11Å; F104-L139 HydrophobicContact CE1-CD1 4.18Å; F104-L139 HydrophobicContact CZ-CD1 4.45Å; E135-L139 VanDerWaalsContact O-CB 3.23Å; E135-L139 WeakPolarHBondContact O-CB 3.36Å; E135-L139 PolarHBondContact O-N 3.04Å; E136-L139 WeakPolarHBondContact O-CB 3.43Å; E136-L139 PolarHBondContact O-N 2.61Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 2.88Å; L139-V141 PolarHBondContact O-N 3.2Å; L139-T142 PolarHBondContact O-N 3.49Å; L139-I143 HydrophobicContact CD1-CD1 3.73Å; L139-I143 HydrophobicContact CD1-CG1 4.24Å; L139-I143 HydrophobicContact CG-CD1 3.76Å; L139-I143 WeakPolarHBondContact O-CD1 3.46Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 2.94Å; L139-I143 PolarHBondContact O-N 3.33Å
140	A	96.8	Very high	91.9	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-49	177.4	0	0	0	0	0	112.2	L85 P86 V88 E136 N137 T142 I143 Q144	L85-A140 HydrophobicContact CB-CB 4.32Å; L85-A140 HydrophobicContact CD2-CB 4.39Å; P86-A140 HydrophobicContact CG-CB 4.1Å; V88-A140 HydrophobicContact CG2-CB 3.74Å; E136-A140 PolarHBondContact O-N 2.78Å; N137-A140 PolarHBondContact O-N 2.84Å; A140-T142 PolarHBondContact O-N 3.35Å; A140-I143 PolarHBondContact O-N 2.69Å; A140-Q144 PolarHBondContact O-N 3.28Å
141	V	96.1	Very high	93.2	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-45.1	178	168.4	0	0	0	0	111.6	V88 M92 I93 V96 N137 R138 L139 I143 Q144 Q145	V88-V141 HydrophobicContact CG1-CG2 3.69Å; V88-V141 HydrophobicContact CG2-CG2 4.28Å; M92-V141 HydrophobicContact CB-CG2 4.12Å; I93-V141 HydrophobicContact CB-CG1 4.46Å; I93-V141 HydrophobicContact CG1-CG1 4.13Å; I93-V141 HydrophobicContact CG1-CG2 4.12Å; V96-V141 HydrophobicContact CB-CB 4.27Å; V96-V141 HydrophobicContact CB-CG1 4.06Å; V96-V141 HydrophobicContact CB-CG2 4.31Å; V96-V141 HydrophobicContact CG1-CB 4.1Å; V96-V141 HydrophobicContact CG1-CG1 3.82Å; V96-V141 HydrophobicContact CG2-CB 4.1Å; V96-V141 HydrophobicContact CG2-CG1 4.44Å; V96-V141 HydrophobicContact CG2-CG2 3.86Å; N137-V141 WeakPolarHBondContact O-CG2 3.29Å; N137-V141 PolarHBondContact O-N 3.4Å; R138-V141 PolarHBondContact O-N 3.31Å; L139-V141 PolarHBondContact O-N 3.2Å; V141-I143 PolarHBondContact O-N 2.93Å; V141-Q144 PolarHBondContact O-N 2.96Å; V141-Q145 WeakPolarHBondContact O-CB 3.37Å; V141-Q145 PolarHBondContact O-N 3.4Å
142	T	95.9	Very high	94.1	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-42.5	-178	-56.5	0	0	0	0	111.2	F104 R138 L139 A140 Q145 I146	F104-T142 HydrophobicContact CE2-CG2 4.23Å; F104-T142 HydrophobicContact CZ-CG2 4.13Å; R138-T142 WeakPolarHBondContact O-CB 3.29Å; R138-T142 PolarHBondContact O-N 3.44Å; R138-T142 PolarHBondContact O-OG1 2.9Å; L139-T142 PolarHBondContact O-N 3.49Å; A140-T142 PolarHBondContact O-N 3.35Å; T142-Q145 PolarHBondContact O-N 3.05Å; T142-I146 HydrophobicContact CG2-CD1 3.81Å; T142-I146 HydrophobicContact CG2-CG1 4.46Å; T142-I146 WeakPolarHBondContact O-CB 3.18Å; T142-I146 VanDerWaalsContact O-CG1 3.25Å; T142-I146 WeakPolarHBondContact O-CG1 3.25Å; T142-I146 PolarHBondContact O-N 3.48Å
143	I	96.2	Very high	94.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-46.1	176.9	-69.7	160.7	0	0	0	110.5	W47 L50 I59 Y73 L85 L139 A140 V141 Q145 I146 D147	W47-I143 HydrophobicContact CD2-CG2 4.42Å; W47-I143 HydrophobicContact CH2-CG1 4.37Å; W47-I143 HydrophobicContact CZ2-CG2 4.19Å; L50-I143 HydrophobicContact CD1-CD1 4.21Å; L50-I143 HydrophobicContact CD1-CG1 3.7Å; I59-I143 HydrophobicContact CB-CD1 4.48Å; I59-I143 HydrophobicContact CD1-CD1 3.54Å; I59-I143 HydrophobicContact CG1-CD1 3.76Å; I59-I143 HydrophobicContact CG1-CG1 4.32Å; I59-I143 HydrophobicContact CG2-CD1 3.87Å; I59-I143 HydrophobicContact CG2-CG1 4.45Å; I59-I143 HydrophobicContact CG2-CG2 4.28Å; Y73-I143 HydrophobicContact CD1-CG2 3.51Å; Y73-I143 HydrophobicContact CE1-CG2 3.58Å; Y73-I143 HydrophobicContact CG-CG2 4.1Å; L85-I143 HydrophobicContact CD1-CD1 3.41Å; L85-I143 VanDerWaalsContact CD1-CD1 3.41Å; L139-I143 HydrophobicContact CD1-CD1 3.73Å; L139-I143 HydrophobicContact CD1-CG1 4.24Å; L139-I143 HydrophobicContact CG-CD1 3.76Å; L139-I143 WeakPolarHBondContact O-CD1 3.46Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 2.94Å; L139-I143 PolarHBondContact O-N 3.33Å; A140-I143 PolarHBondContact O-N 2.69Å; V141-I143 PolarHBondContact O-N 2.93Å; I143-Q145 PolarHBondContact O-N 3.13Å; I143-I146 PolarHBondContact O-N 3.01Å; I143-D147 WeakPolarHBondContact O-CB 3.36Å; I143-D147 PolarHBondContact O-N 3.21Å
144	Q	94.8	Very high	95	Very high	66 Å²	66	20.1 Å²	20.1	31%	0.308	10%	0.101	S	C	.	.	H	α-helix	trans	-61.9	-44.7	177.5	-176.4	-179.3	6.1	0	0	111.5	V88 A140 V141 I146 D147 E148	V88-Q144 HydrophobicContact CG2-CB 4.4Å; V88-Q144 VanDerWaalsContact CG2-OE1 3.32Å; A140-Q144 PolarHBondContact O-N 3.28Å; V141-Q144 PolarHBondContact O-N 2.96Å; Q144-I146 VanDerWaalsContact C-N 3.34Å; Q144-I146 PolarHBondContact O-N 2.84Å; Q144-D147 PolarHBondContact O-N 3.13Å; Q144-E148 VanDerWaalsContact O-CB 3.27Å; Q144-E148 WeakPolarHBondContact O-CB 3.49Å; Q144-E148 PolarHBondContact O-N 3.49Å
145	Q	94.3	Very high	95	Very high	68 Å²	68	21.2 Å²	21.2	32%	0.318	10%	0.101	S	C	.	.	H	α-helix	trans	-61	-44.3	179.6	-171.6	-178	0.1	0	0	111.6	V141 T142 I143 E148 E149 W243	V141-Q145 WeakPolarHBondContact O-CB 3.37Å; V141-Q145 PolarHBondContact O-N 3.4Å; T142-Q145 PolarHBondContact O-N 3.05Å; I143-Q145 PolarHBondContact O-N 3.13Å; Q145-E148 PolarHBondContact O-N 3.04Å; Q145-E149 PolarHBondContact NE2-OE1 2.68Å; Q145-E149 WeakPolarHBondContact O-CB 3.33Å; Q145-E149 WeakPolarHBondContact O-CG 3.44Å; Q145-E149 PolarHBondContact O-N 3.09Å; Q145-W243 HydrophobicContact CG-CH2 4.16Å; Q145-W243 HydrophobicContact CG-CZ2 3.88Å
146	I	95.7	Very high	94.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-48	176.2	-67	169	0	0	0	109.9	W47 T142 I143 Q144 E148 E149 V150 W243 Y261	W47-I146 HydrophobicContact CH2-CB 4.17Å; W47-I146 HydrophobicContact CH2-CD1 3.9Å; W47-I146 HydrophobicContact CH2-CG2 3.85Å; W47-I146 HydrophobicContact CZ2-CB 3.71Å; W47-I146 HydrophobicContact CZ2-CD1 4.33Å; W47-I146 HydrophobicContact CZ2-CG2 3.4Å; W47-I146 VanDerWaalsContact CZ2-CG2 3.4Å; T142-I146 HydrophobicContact CG2-CD1 3.81Å; T142-I146 HydrophobicContact CG2-CG1 4.46Å; T142-I146 WeakPolarHBondContact O-CB 3.18Å; T142-I146 VanDerWaalsContact O-CG1 3.25Å; T142-I146 WeakPolarHBondContact O-CG1 3.25Å; T142-I146 PolarHBondContact O-N 3.48Å; I143-I146 PolarHBondContact O-N 3.01Å; Q144-I146 VanDerWaalsContact C-N 3.34Å; Q144-I146 PolarHBondContact O-N 2.84Å; I146-E148 PolarHBondContact O-N 3.29Å; I146-E149 PolarHBondContact O-N 3.46Å; I146-E149 VanDerWaalsContact O-N 3.09Å; I146-V150 HydrophobicContact CB-CG2 4.35Å; I146-V150 HydrophobicContact CG2-CG2 3.34Å; I146-V150 WeakPolarHBondContact O-CG2 3.27Å; I146-V150 PolarHBondContact O-N 2.89Å; I146-W243 HydrophobicContact CD1-CE3 3.9Å; I146-W243 HydrophobicContact CD1-CH2 4.46Å; I146-W243 HydrophobicContact CD1-CZ3 3.75Å; I146-W243 HydrophobicContact CG1-CD2 3.86Å; I146-W243 HydrophobicContact CG1-CE3 3.45Å; I146-W243 VanDerWaalsContact CG1-CE3 3.45Å; I146-W243 HydrophobicContact CG1-CH2 3.65Å; I146-W243 HydrophobicContact CG1-CZ2 4.09Å; I146-W243 HydrophobicContact CG1-CZ3 3.32Å; I146-Y261 HydrophobicContact CD1-CD1 4.49Å; I146-Y261 HydrophobicContact CD1-CE1 4.07Å; I146-Y261 HydrophobicContact CD1-CE2 4.3Å; I146-Y261 HydrophobicContact CG2-CD2 3.94Å; I146-Y261 HydrophobicContact CG2-CE2 4.32Å; I146-Y261 HydrophobicContact CG2-CG 4.25Å
147	D	94.3	Very high	94.9	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-60.5	-36.8	-179.9	-156.9	63.8	0	0	0	111.8	W47 Q61 R71 Y73 I143 Q144 S151 Y259	W47-D147 PolarHBondContact NE1-OD1 3.38Å; Q61-D147 PolarHBondContact NE2-OD1 3.2Å; Q61-D147 PolarHBondContact NE2-OD2 2.63Å; R71-D147 IonicContact CZ-OD2 2.89Å; R71-D147 IonicContact NH1-OD2 3.34Å; R71-D147 PolarHBondContact NH1-OD2 3.42Å; Y73-D147 VanDerWaalsContact OH-CG 3.29Å; Y73-D147 PolarHBondContact OH-OD2 2.81Å; I143-D147 WeakPolarHBondContact O-CB 3.36Å; I143-D147 PolarHBondContact O-N 3.21Å; Q144-D147 PolarHBondContact O-N 3.13Å; D147-S151 WeakPolarHBondContact O-CB 3.46Å; D147-S151 PolarHBondContact O-N 2.78Å; D147-Y259 PolarHBondContact OD1-OH 3.29Å
148	E	92.4	Very high	95	Very high	71 Å²	71	17.2 Å²	17.2	33%	0.332	8%	0.084	S	C	.	.	H	α-helix	trans	-68.8	-37.2	175	-163.8	-178.4	150.6	0	0	112.3	Q144 Q145 I146 R190 K193	Q144-E148 VanDerWaalsContact O-CB 3.27Å; Q144-E148 WeakPolarHBondContact O-CB 3.49Å; Q144-E148 PolarHBondContact O-N 3.49Å; Q145-E148 PolarHBondContact O-N 3.04Å; I146-E148 PolarHBondContact O-N 3.29Å; E148-R190 VanDerWaalsContact CG-CD 3.42Å; E148-R190 WeakPolarHBondContact O-CD 3.35Å; E148-R190 PolarHBondContact O-NE 2.67Å; E148-K193 WeakPolarHBondContact OE1-CE 3.4Å; E148-K193 IonicContact OE1-NZ 2.67Å; E148-K193 PolarHBondContact OE1-NZ 3.47Å
149	E	92.2	Very high	95	Very high	39 Å²	39	19.6 Å²	19.6	18%	0.182	10%	0.096	C	C	.	.	H	α-helix	trans	-90.1	-22.3	-176.1	-70.3	-169.1	-155.7	0	0	114.8	Q145 I146 H188 W243 K267	Q145-E149 PolarHBondContact NE2-OE1 2.68Å; Q145-E149 WeakPolarHBondContact O-CB 3.33Å; Q145-E149 WeakPolarHBondContact O-CG 3.44Å; Q145-E149 PolarHBondContact O-N 3.09Å; I146-E149 PolarHBondContact O-N 3.46Å; I146-E149 VanDerWaalsContact O-N 3.09Å; E149-H188 PolarHBondContact O-CE1 3.12Å; E149-H188 PolarHBondContact O-ND1 3.32Å; E149-W243 PolarHBondContact OE2-NE1 2.99Å; E149-K267 IonicContact OE1-NZ 3.2Å; E149-K267 PolarHBondContact OE1-NZ 3.15Å; E149-K267 WeakPolarHBondContact OE2-CE 3.42Å; E149-K267 IonicContact OE2-NZ 3.46Å; E149-K267 PolarHBondContact OE2-NZ 2.73Å
150	V	90.1	Very high	94.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-141.6	9.6	-169.7	-68.8	0	0	0	0	115.7	I146 V152 W225 S240 W243 L246	I146-V150 HydrophobicContact CB-CG2 4.35Å; I146-V150 HydrophobicContact CG2-CG2 3.34Å; I146-V150 WeakPolarHBondContact O-CG2 3.27Å; I146-V150 PolarHBondContact O-N 2.89Å; V150-V152 WeakPolarHBondContact O-CG2 3.25Å; V150-V152 PolarHBondContact O-N 2.86Å; V150-W225 HydrophobicContact CB-CH2 4.05Å; V150-W225 HydrophobicContact CB-CZ2 4.44Å; V150-W225 HydrophobicContact CG1-CH2 3.97Å; V150-W225 HydrophobicContact CG1-CZ2 4.04Å; V150-S240 WeakPolarHBondContact CG1-OG 3.46Å; V150-W243 HydrophobicContact CG1-CB 3.98Å; V150-W243 VanDerWaalsContact CG1-CD1 3.41Å; V150-W243 HydrophobicContact CG1-CG 3.96Å; V150-W243 HydrophobicContact CG2-CB 4.23Å; V150-W243 HydrophobicContact CG2-CG 4.28Å; V150-L246 HydrophobicContact CB-CB 4.49Å; V150-L246 HydrophobicContact CB-CD1 3.9Å; V150-L246 HydrophobicContact CB-CD2 3.84Å; V150-L246 HydrophobicContact CB-CG 4.24Å; V150-L246 HydrophobicContact CG2-CB 4.37Å; V150-L246 HydrophobicContact CG2-CD1 3.66Å; V150-L246 HydrophobicContact CG2-CD2 4.47Å; V150-L246 HydrophobicContact CG2-CG 4.33Å; V150-L246 WeakPolarHBondContact O-CD1 3.08Å; V150-L246 WeakPolarHBondContact O-CD2 3.04Å
151	S	93.9	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	13%	0.125	C	C	.	.			trans	-67.1	118.8	167.2	-166.2	0	0	0	0	109.3	D147 H188 F189 Y259	D147-S151 WeakPolarHBondContact O-CB 3.46Å; D147-S151 PolarHBondContact O-N 2.78Å; S151-H188 CarbonylContact O-C 3.44Å; S151-H188 WeakPolarHBondContact O-CA 3.43Å; S151-F189 PolarHBondContact O-N 2.8Å; S151-Y259 WeakPolarHBondContact OG-CE1 3.08Å; S151-Y259 VanDerWaalsContact OG-CZ 3.28Å; S151-Y259 PolarHBondContact OG-OH 3.02Å
152	V	95.6	Very high	94.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.5	-173.7	-178.7	0	0	0	0	111.6	V150 F186 L187 L216 W225 L238 L246 F248	V150-V152 WeakPolarHBondContact O-CG2 3.25Å; V150-V152 PolarHBondContact O-N 2.86Å; V152-F186 HydrophobicContact CG1-CB 4.08Å; V152-F186 HydrophobicContact CG1-CD1 4.36Å; V152-L187 WeakPolarHBondContact CA-O 3.24Å; V152-L216 HydrophobicContact CG1-CD1 3.78Å; V152-L216 HydrophobicContact CG2-CD1 3.86Å; V152-L216 HydrophobicContact CG2-CD2 4.26Å; V152-W225 HydrophobicContact CG2-CH2 3.32Å; V152-W225 HydrophobicContact CG2-CZ2 4.01Å; V152-W225 HydrophobicContact CG2-CZ3 3.8Å; V152-L238 HydrophobicContact CG1-CD1 4.06Å; V152-L246 HydrophobicContact CG2-CD2 4.42Å; V152-F248 HydrophobicContact CB-CB 4.41Å; V152-F248 HydrophobicContact CB-CD2 3.79Å; V152-F248 HydrophobicContact CB-CE2 4.3Å; V152-F248 HydrophobicContact CB-CG 4.14Å; V152-F248 HydrophobicContact CG1-CD1 4.38Å; V152-F248 HydrophobicContact CG1-CD2 3.87Å; V152-F248 HydrophobicContact CG1-CE2 4.02Å; V152-F248 HydrophobicContact CG1-CG 4.06Å; V152-F248 HydrophobicContact CG1-CZ 4.35Å; V152-F248 WeakPolarHBondContact O-CE2 3.47Å
153	V	96.7	Very high	94	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.9	170.8	-65.7	0	0	0	0	111.2	F158 L187 F189 L213	V153-F158 HydrophobicContact CB-CD2 4.08Å; V153-F158 HydrophobicContact CB-CE2 4.06Å; V153-F158 HydrophobicContact CG1-CD2 3.88Å; V153-F158 HydrophobicContact CG1-CE2 3.43Å; V153-F158 VanDerWaalsContact CG1-CE2 3.43Å; V153-F158 HydrophobicContact CG1-CZ 4.4Å; V153-F158 HydrophobicContact CG2-CD2 4.27Å; V153-L187 HydrophobicContact CG2-CB 4.2Å; V153-L187 PolarHBondContact N-O 3.28Å; V153-L187 PolarHBondContact O-N 3.3Å; V153-F189 HydrophobicContact CB-CB 4.49Å; V153-F189 HydrophobicContact CB-CD2 4.35Å; V153-F189 HydrophobicContact CG1-CB 3.74Å; V153-F189 HydrophobicContact CG1-CD1 4.35Å; V153-F189 HydrophobicContact CG1-CD2 3.71Å; V153-F189 HydrophobicContact CG1-CE2 4.47Å; V153-F189 HydrophobicContact CG1-CG 3.66Å; V153-F189 HydrophobicContact CG2-CB 4.04Å; V153-F189 HydrophobicContact CG2-CD2 3.73Å; V153-F189 HydrophobicContact CG2-CG 4.23Å; V153-L213 HydrophobicContact CG2-CD1 3.86Å
154	P	96.9	Very high	93.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	147.9	170.8	25.3	-22.5	0	0	0	110.8	G156 A157 F172 L175 N185 F186 F248 H257	P154-G156 PolarHBondContact O-N 2.94Å; P154-A157 HydrophobicContact CG-CB 3.91Å; P154-A157 VanDerWaalsContact O-CB 3.3Å; P154-A157 WeakPolarHBondContact O-CB 3.04Å; P154-A157 PolarHBondContact O-N 3.21Å; P154-A157 VanDerWaalsContact O-N 3.13Å; P154-F172 HydrophobicContact CB-CZ 3.92Å; P154-F172 HydrophobicContact CG-CE1 3.88Å; P154-F172 HydrophobicContact CG-CZ 3.74Å; P154-L175 HydrophobicContact CB-CD1 3.66Å; P154-L175 HydrophobicContact CB-CG 3.92Å; P154-N185 CarbonylContact C-O 3.48Å; P154-N185 WeakPolarHBondContact CA-O 3.09Å; P154-F186 HydrophobicContact CB-CD1 4.36Å; P154-F186 HydrophobicContact CB-CE1 4.35Å; P154-F248 HydrophobicContact CG-CZ 4.5Å; P154-H257 WeakPolarHBondContact CD-CD2 3.48Å; P154-H257 HydrophobicContact CG-CB 4Å
155	R	94.9	Very high	93.5	Very high	53 Å²	53	40.6 Å²	40.6	20%	0.2	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.1	175.1	-177.4	-177.2	-178.7	-123.4	-1.9	109.7	F172 N185 L187 D205 I210 D211	R155-F172 VanDerWaalsContact O-CE2 3.26Å; R155-F172 WeakPolarHBondContact O-CE2 3.48Å; R155-N185 HydrophobicContact CB-CB 4.48Å; R155-N185 WeakPolarHBondContact CB-O 3.37Å; R155-N185 PolarHBondContact N-O 3.17Å; R155-L187 HydrophobicContact CB-CD1 4.25Å; R155-L187 HydrophobicContact CB-CG 4.49Å; R155-L187 HydrophobicContact CG-CD1 4.4Å; R155-D205 PolarHBondContact NH2-O 3.35Å; R155-I210 HydrophobicContact CG-CG2 4.06Å; R155-D211 IonicContact CZ-OD1 3.45Å; R155-D211 IonicContact CZ-OD2 3.73Å; R155-D211 IonicContact NE-OD1 2.72Å; R155-D211 PolarHBondContact NE-OD1 2.73Å; R155-D211 IonicContact NE-OD2 3.78Å; R155-D211 IonicContact NH2-OD1 3.29Å; R155-D211 PolarHBondContact NH2-OD1 2.82Å; R155-D211 IonicContact NH2-OD2 2.8Å; R155-D211 PolarHBondContact NH2-OD2 3.19Å
156	G	93.9	Very high	93.5	Very high	10 Å²	10	37.5 Å²	37.5	10%	0.103	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-10.6	-179.6	0	0	0	0	0	115.5	P154 F158 N169	P154-G156 PolarHBondContact O-N 2.94Å; G156-F158 PolarHBondContact O-N 2.87Å; G156-N169 WeakPolarHBondContact O-CB 3.13Å; G156-N169 PolarHBondContact O-ND2 2.84Å
157	A	96.2	Very high	93.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.214	C	C	.	.	S	Bend	trans	-67	-25.5	177.8	0	0	0	0	0	114	P154 N169 F172	P154-A157 HydrophobicContact CG-CB 3.91Å; P154-A157 VanDerWaalsContact O-CB 3.3Å; P154-A157 WeakPolarHBondContact O-CB 3.04Å; P154-A157 PolarHBondContact O-N 3.21Å; P154-A157 VanDerWaalsContact O-N 3.13Å; A157-N169 PolarHBondContact O-N 3.3Å; A157-F172 HydrophobicContact CB-CD1 3.95Å; A157-F172 HydrophobicContact CB-CE1 3.94Å; A157-F172 HydrophobicContact CB-CG 4.38Å; A157-F172 HydrophobicContact CB-CZ 4.37Å
158	F	95.8	Very high	93.5	Very high	7 Å²	7	43 Å²	43	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.4	177.5	-66.8	-94.9	0	0	0	109.8	E67 V153 G156 V166 H167 V168 F189 F212 H257	E67-F158 HydrophobicContact CB-CD1 4.08Å; E67-F158 HydrophobicContact CB-CE1 3.85Å; E67-F158 HydrophobicContact CG-CD1 4.12Å; E67-F158 HydrophobicContact CG-CE1 3.78Å; V153-F158 HydrophobicContact CB-CD2 4.08Å; V153-F158 HydrophobicContact CB-CE2 4.06Å; V153-F158 HydrophobicContact CG1-CD2 3.88Å; V153-F158 HydrophobicContact CG1-CE2 3.43Å; V153-F158 VanDerWaalsContact CG1-CE2 3.43Å; V153-F158 HydrophobicContact CG1-CZ 4.4Å; V153-F158 HydrophobicContact CG2-CD2 4.27Å; G156-F158 PolarHBondContact O-N 2.87Å; F158-V166 HydrophobicContact CB-CG1 4.05Å; F158-V166 HydrophobicContact CD1-CG1 4.2Å; F158-V166 HydrophobicContact CG-CG1 4.5Å; F158-H167 CarbonylContact C-O 3.58Å; F158-H167 VanDerWaalsContact CA-O 3.3Å; F158-H167 WeakPolarHBondContact CA-O 3.48Å; F158-V168 HydrophobicContact CD1-CG2 4.29Å; F158-V168 HydrophobicContact CE1-CG2 3.73Å; F158-V168 HydrophobicContact CZ-CG2 4.36Å; F158-F189 HydrophobicContact CB-CE2 4.09Å; F158-F189 AromaticContact CD1-CE2 3.67Å; F158-F189 HydrophobicContact CD1-CE2 3.67Å; F158-F189 AromaticContact CD1-CZ 3.68Å; F158-F189 HydrophobicContact CD1-CZ 3.68Å; F158-F189 HydrophobicContact CD2-CD2 4.1Å; F158-F189 AromaticContact CD2-CE2 3.63Å; F158-F189 HydrophobicContact CD2-CE2 3.63Å; F158-F189 HydrophobicContact CD2-CZ 4.25Å; F158-F189 HydrophobicContact CE1-CE1 4.38Å; F158-F189 AromaticContact CE1-CE2 3.95Å; F158-F189 HydrophobicContact CE1-CE2 3.95Å; F158-F189 AromaticContact CE1-CZ 3.59Å; F158-F189 HydrophobicContact CE1-CZ 3.59Å; F158-F189 HydrophobicContact CE2-CD2 4.34Å; F158-F189 AromaticContact CE2-CE2 3.95Å; F158-F189 HydrophobicContact CE2-CE2 3.95Å; F158-F189 HydrophobicContact CE2-CZ 4.21Å; F158-F189 HydrophobicContact CG-CD2 4.37Å; F158-F189 AromaticContact CG-CE2 3.49Å; F158-F189 HydrophobicContact CG-CE2 3.49Å; F158-F189 VanDerWaalsContact CG-CE2 3.49Å; F158-F189 HydrophobicContact CG-CZ 4.01Å; F158-F189 HydrophobicContact CZ-CE1 4.37Å; F158-F189 HydrophobicContact CZ-CE2 4.09Å; F158-F189 AromaticContact CZ-CZ 3.88Å; F158-F189 HydrophobicContact CZ-CZ 3.88Å; F158-F212 HydrophobicContact CB-CZ 4.28Å; F158-H257 AromaticContact CE2-NE2 3.94Å
159	I	95	Very high	93.6	Very high	58 Å²	58	41.1 Å²	41.1	30%	0.297	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.4	177.4	-165.2	171.1	0	0	0	109.7	H167 N169 A209	I159-H167 PolarHBondContact N-O 2.92Å; I159-H167 PolarHBondContact O-N 3.36Å; I159-N169 HydrophobicContact CB-CB 4.35Å; I159-N169 HydrophobicContact CG2-CB 4.45Å; I159-A209 CarbonylContact C-O 3.55Å; I159-A209 WeakPolarHBondContact CA-O 3.49Å; I159-A209 HydrophobicContact CD1-CB 4.09Å; I159-A209 HydrophobicContact CG1-CB 3.78Å; I159-A209 WeakPolarHBondContact CG1-O 3.39Å
160	R	93.9	Very high	93.7	Very high	107 Å²	107	50.9 Å²	50.9	40%	0.404	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.8	173.1	179.6	173.6	153.5	176.7	-5.4	109.6	V166 A209 F212	R160-V166 HydrophobicContact CB-CG2 4.44Å; R160-A209 PolarHBondContact N-O 2.97Å; R160-F212 HydrophobicContact CB-CB 4.4Å; R160-F212 HydrophobicContact CB-CD1 3.61Å; R160-F212 HydrophobicContact CB-CD2 4.14Å; R160-F212 HydrophobicContact CB-CE1 3.85Å; R160-F212 HydrophobicContact CB-CE2 4.32Å; R160-F212 HydrophobicContact CB-CG 3.79Å; R160-F212 HydrophobicContact CB-CZ 4.2Å
161	T	91.7	Very high	93.9	Very high	38 Å²	38	55.6 Å²	55.6	23%	0.233	29%	0.289	C	S	.	.			trans	-74.4	161.9	176.7	61.3	0	0	0	0	111.3	L163 G164 L165	T161-L163 PolarHBondContact O-N 3.1Å; T161-L163 VanDerWaalsContact O-N 3.15Å; T161-G164 WeakPolarHBondContact O-CA 3.44Å; T161-G164 PolarHBondContact O-N 3.39Å; T161-L165 PolarHBondContact N-O 3.49Å; T161-L165 WeakPolarHBondContact OG1-CB 3.11Å; T161-L165 PolarHBondContact OG1-N 3.29Å; T161-L165 VanDerWaalsContact OG1-N 3.11Å; T161-L165 PolarHBondContact OG1-O 3.19Å
162	P	89.3	Confident	94	Very high	144 Å²	144	56.6 Å²	56.6	94%	0.935	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.8	172.8	-25.7	35.4	0	0	0	113.9	G164	P162-G164 PolarHBondContact O-N 2.89Å
163	L	89.4	Confident	94	Very high	155 Å²	155	64.1 Å²	64.1	81%	0.812	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.3	174.6	-62.1	175.3	0	0	0	113.1	T161 L165	T161-L163 PolarHBondContact O-N 3.1Å; T161-L163 VanDerWaalsContact O-N 3.15Å; L163-L165 VanDerWaalsContact C-N 3.31Å
164	G	87.8	Confident	93.9	Very high	20 Å²	20	64.6 Å²	64.6	21%	0.206	34%	0.335	C	S	.	.	S	Bend	trans	81.9	3.9	-178.9	0	0	0	0	0	114.8	T161 P162	T161-G164 WeakPolarHBondContact O-CA 3.44Å; T161-G164 PolarHBondContact O-N 3.39Å; P162-G164 PolarHBondContact O-N 2.89Å
165	L	92.7	Very high	93.9	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.335	34%	0.337	S	S	.	.			trans	-78.4	137.6	174.7	-60.7	173.8	0	0	0	110.7	D66 T161 L163	D66-L165 HydrophobicContact CB-CD2 4.32Å; T161-L165 PolarHBondContact N-O 3.49Å; T161-L165 WeakPolarHBondContact OG1-CB 3.11Å; T161-L165 PolarHBondContact OG1-N 3.29Å; T161-L165 VanDerWaalsContact OG1-N 3.11Å; T161-L165 PolarHBondContact OG1-O 3.19Å; L163-L165 VanDerWaalsContact C-N 3.31Å
166	V	95.4	Very high	93.9	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	177.8	-178.1	0	0	0	0	110.7	E67 L68 F158 R160 F189 F212	E67-V166 HydrophobicContact CB-CG1 4.37Å; E67-V166 PolarHBondContact N-O 2.85Å; L68-V166 HydrophobicContact CB-CB 4.09Å; L68-V166 HydrophobicContact CB-CG2 4Å; L68-V166 HydrophobicContact CD2-CG2 4.15Å; F158-V166 HydrophobicContact CB-CG1 4.05Å; F158-V166 HydrophobicContact CD1-CG1 4.2Å; F158-V166 HydrophobicContact CG-CG1 4.5Å; R160-V166 HydrophobicContact CB-CG2 4.44Å; V166-F189 HydrophobicContact CG1-CE2 4.3Å; V166-F189 HydrophobicContact CG1-CZ 4.45Å; V166-F212 HydrophobicContact CB-CZ 4.5Å; V166-F212 HydrophobicContact CG1-CE2 4.11Å; V166-F212 HydrophobicContact CG1-CZ 3.67Å; V166-F212 HydrophobicContact CG2-CE2 3.68Å; V166-F212 HydrophobicContact CG2-CZ 3.99Å
167	H	94.8	Very high	93.9	Very high	66 Å²	66	67.7 Å²	67.7	31%	0.306	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.8	178.6	-59.9	-57.9	0	0	0	111.8	E65 F158 I159 N169	E65-H167 PolarHBondContact O-CE1 2.78Å; E65-H167 VanDerWaalsContact O-CE1 3.25Å; E65-H167 PolarHBondContact O-ND1 2.95Å; E65-H167 VanDerWaalsContact O-ND1 3.13Å; F158-H167 CarbonylContact C-O 3.58Å; F158-H167 VanDerWaalsContact CA-O 3.3Å; F158-H167 WeakPolarHBondContact CA-O 3.48Å; I159-H167 PolarHBondContact N-O 2.92Å; I159-H167 PolarHBondContact O-N 3.36Å; H167-N169 PolarHBondContact O-N 2.88Å
168	V	94.8	Very high	93.8	Very high	56 Å²	56	71.4 Å²	71.4	34%	0.339	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.2	168.7	-177.8	0	0	0	0	109.3	E67 F158 R170	E67-V168 HydrophobicContact CG-CG2 4.3Å; F158-V168 HydrophobicContact CD1-CG2 4.29Å; F158-V168 HydrophobicContact CE1-CG2 3.73Å; F158-V168 HydrophobicContact CZ-CG2 4.36Å; V168-R170 PolarHBondContact O-N 2.85Å
169	N	95.5	Very high	93.7	Very high	30 Å²	30	74.6 Å²	74.6	16%	0.16	39%	0.394	C	S	.	.			trans	-76.6	108.6	174.7	-177.6	7.1	0	0	0	109.7	G156 A157 I159 H167 S171 F172	G156-N169 WeakPolarHBondContact O-CB 3.13Å; G156-N169 PolarHBondContact O-ND2 2.84Å; A157-N169 PolarHBondContact O-N 3.3Å; I159-N169 HydrophobicContact CB-CB 4.35Å; I159-N169 HydrophobicContact CG2-CB 4.45Å; H167-N169 PolarHBondContact O-N 2.88Å; N169-S171 PolarHBondContact O-N 2.94Å; N169-S171 PolarHBondContact OD1-N 2.87Å; N169-F172 HydrophobicContact CB-CB 4.18Å; N169-F172 WeakPolarHBondContact O-CB 3.47Å; N169-F172 PolarHBondContact O-N 3.37Å
170	R	93.5	Very high	93.8	Very high	244 Å²	244	71.8 Å²	71.8	92%	0.921	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-17.8	179.6	-63.4	-175.8	-177.4	-175.6	1.3	113.6	V168 F172	V168-R170 PolarHBondContact O-N 2.85Å; R170-F172 VanDerWaalsContact C-N 3.33Å
171	S	94.4	Very high	93.8	Very high	102 Å²	102	72.5 Å²	72.5	71%	0.713	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	4.1	177.5	-52.1	0	0	0	0	112.7	N169 E173	N169-S171 PolarHBondContact O-N 2.94Å; N169-S171 PolarHBondContact OD1-N 2.87Å; S171-E173 PolarHBondContact O-N 3.01Å
172	F	95.6	Very high	93.9	Very high	22 Å²	22	76.7 Å²	76.7	10%	0.096	40%	0.397	C	S	.	.			trans	-75	112	177	-179.5	-117.1	0	0	0	110.2	P154 R155 A157 N169 R170 L175 P255	P154-F172 HydrophobicContact CB-CZ 3.92Å; P154-F172 HydrophobicContact CG-CE1 3.88Å; P154-F172 HydrophobicContact CG-CZ 3.74Å; R155-F172 VanDerWaalsContact O-CE2 3.26Å; R155-F172 WeakPolarHBondContact O-CE2 3.48Å; A157-F172 HydrophobicContact CB-CD1 3.95Å; A157-F172 HydrophobicContact CB-CE1 3.94Å; A157-F172 HydrophobicContact CB-CG 4.38Å; A157-F172 HydrophobicContact CB-CZ 4.37Å; N169-F172 HydrophobicContact CB-CB 4.18Å; N169-F172 WeakPolarHBondContact O-CB 3.47Å; N169-F172 PolarHBondContact O-N 3.37Å; R170-F172 VanDerWaalsContact C-N 3.33Å; F172-L175 HydrophobicContact CE2-CD2 4.39Å; F172-L175 HydrophobicContact CZ-CG 4.38Å; F172-P255 HydrophobicContact CD1-CB 4.16Å; F172-P255 WeakPolarHBondContact O-CB 3.4Å
173	E	95.4	Very high	94.2	Very high	159 Å²	159	71.9 Å²	71.9	74%	0.743	36%	0.363	S	S	*	.			trans	-91	-4	178.2	-64.2	-174	168.5	0	0	112.9	S171 N253 T254	S171-E173 PolarHBondContact O-N 3.01Å; E173-N253 CarbonylContact O-C 3.51Å; E173-T254 CarbonylContact O-C 2.96Å; E173-T254 WeakPolarHBondContact O-CA 3.43Å; E173-T254 PolarHBondContact O-N 3.05Å
174	G	95.8	Very high	94.3	Very high	17 Å²	17	67.9 Å²	67.9	18%	0.175	34%	0.343	C	S	.	.			trans	106.6	159.8	-173.2	0	0	0	0	0	112.7	T254	G174-T254 WeakPolarHBondContact CA-O 3.32Å
175	L	96.3	Very high	94.6	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.037	34%	0.337	C	S	.	.			trans	-74.3	141.4	168.8	-59.2	175.7	0	0	0	108.8	P154 F172 E179 A180 N185 F186 H250 P252 N253	P154-L175 HydrophobicContact CB-CD1 3.66Å; P154-L175 HydrophobicContact CB-CG 3.92Å; F172-L175 HydrophobicContact CE2-CD2 4.39Å; F172-L175 HydrophobicContact CZ-CG 4.38Å; L175-E179 HydrophobicContact CB-CB 4.03Å; L175-E179 HydrophobicContact CD2-CB 4.39Å; L175-A180 HydrophobicContact CB-CB 4.16Å; L175-N185 HydrophobicContact CD1-CB 3.78Å; L175-N185 HydrophobicContact CD2-CB 4.17Å; L175-F186 HydrophobicContact CD1-CE1 3.97Å; L175-F186 HydrophobicContact CD1-CZ 3.96Å; L175-H250 WeakPolarHBondContact CB-NE2 3.49Å; L175-H250 PolarHBondContact N-NE2 2.9Å; L175-P252 CarbonylContact O-C 3.12Å; L175-P252 VanDerWaalsContact O-CA 3.25Å; L175-P252 WeakPolarHBondContact O-CA 3.01Å; L175-P252 WeakPolarHBondContact O-CB 3.48Å; L175-N253 PolarHBondContact O-N 3.34Å
176	S	95.4	Very high	94.8	Very high	32 Å²	32	64.6 Å²	64.6	22%	0.224	32%	0.321	C	S	.	.			trans	-63.7	164.6	167	64.8	0	0	0	0	111.1	S178 E179 A180 N253	S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 2.82Å; S176-S178 PolarHBondContact OG-OG 3.05Å; S176-E179 WeakPolarHBondContact CB-OE2 3.38Å; S176-E179 PolarHBondContact N-OE2 2.83Å; S176-E179 PolarHBondContact O-N 3.41Å; S176-E179 WeakPolarHBondContact OG-CB 3.41Å; S176-E179 WeakPolarHBondContact OG-CG 3.39Å; S176-E179 PolarHBondContact OG-N 2.72Å; S176-E179 PolarHBondContact OG-OE2 3.02Å; S176-A180 VanDerWaalsContact O-CB 3.32Å; S176-A180 WeakPolarHBondContact O-CB 3.35Å; S176-A180 PolarHBondContact O-N 3.21Å; S176-N253 WeakPolarHBondContact CA-OD1 3.21Å
177	E	93.6	Very high	94.7	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-38.6	179.5	-167	-170.7	153.2	0	0	112.3	R181 F229	E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.06Å; E177-R181 IonicContact OE1-CZ 2.68Å; E177-R181 IonicContact OE1-NE 3.13Å; E177-R181 PolarHBondContact OE1-NE 3.25Å; E177-R181 IonicContact OE1-NH2 3.61Å; E177-R181 PolarHBondContact OE1-NH2 2.89Å; E177-F229 HydrophobicContact CG-CE1 4.06Å; E177-F229 HydrophobicContact CG-CZ 4.35Å
178	S	93.9	Very high	94.8	Very high	78 Å²	78	61.7 Å²	61.7	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-35.3	178.4	58	0	0	0	0	112.2	S176	S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 2.82Å; S176-S178 PolarHBondContact OG-OG 3.05Å
179	E	94.4	Very high	94.8	Very high	74 Å²	74	59 Å²	59	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-71.3	-44.8	174.2	-73.4	166.8	143.7	0	0	111.8	L175 S176 R181 K182 N185	L175-E179 HydrophobicContact CB-CB 4.03Å; L175-E179 HydrophobicContact CD2-CB 4.39Å; S176-E179 WeakPolarHBondContact CB-OE2 3.38Å; S176-E179 PolarHBondContact N-OE2 2.83Å; S176-E179 PolarHBondContact O-N 3.41Å; S176-E179 WeakPolarHBondContact OG-CB 3.41Å; S176-E179 WeakPolarHBondContact OG-CG 3.39Å; S176-E179 PolarHBondContact OG-N 2.72Å; S176-E179 PolarHBondContact OG-OE2 3.02Å; E179-R181 PolarHBondContact O-N 2.78Å; E179-R181 VanDerWaalsContact O-N 3.13Å; E179-K182 PolarHBondContact O-N 2.67Å; E179-N185 VanDerWaalsContact CA-ND2 3.3Å; E179-N185 WeakPolarHBondContact CA-ND2 3.13Å; E179-N185 WeakPolarHBondContact CB-ND2 3.49Å; E179-N185 PolarHBondContact O-ND2 2.83Å
180	A	95.6	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-16.1	-179.5	0	0	0	0	0	113.4	L175 S176 K182 F186 F229 C236 P252	L175-A180 HydrophobicContact CB-CB 4.16Å; S176-A180 VanDerWaalsContact O-CB 3.32Å; S176-A180 WeakPolarHBondContact O-CB 3.35Å; S176-A180 PolarHBondContact O-N 3.21Å; A180-K182 VanDerWaalsContact C-N 3.32Å; A180-F186 WeakPolarHBondContact O-CE2 3.29Å; A180-F229 HydrophobicContact CB-CZ 3.95Å; A180-C236 HydrophobicContact CB-CB 4.24Å; A180-C236 PolarHBondContact O-SG 3.37Å; A180-P252 HydrophobicContact CB-CG 4.18Å
181	R	94.8	Very high	94.5	Very high	121 Å²	121	51.6 Å²	51.6	46%	0.457	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.5	171.8	-74.1	173.7	-173.3	-74.4	-0.8	113.8	E177 E179 F229	E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.06Å; E177-R181 IonicContact OE1-CZ 2.68Å; E177-R181 IonicContact OE1-NE 3.13Å; E177-R181 PolarHBondContact OE1-NE 3.25Å; E177-R181 IonicContact OE1-NH2 3.61Å; E177-R181 PolarHBondContact OE1-NH2 2.89Å; E179-R181 PolarHBondContact O-N 2.78Å; E179-R181 VanDerWaalsContact O-N 3.13Å; R181-F229 HydrophobicContact CB-CE2 4.27Å; R181-F229 HydrophobicContact CG-CD2 4.16Å; R181-F229 HydrophobicContact CG-CE2 3.32Å; R181-F229 HydrophobicContact CG-CZ 3.67Å
182	K	94.6	Very high	94.2	Very high	127 Å²	127	48.7 Å²	48.7	55%	0.552	24%	0.243	S	C	*	.			trans	-104.3	124.8	-178.5	-60.6	179.3	-176.4	178.6	0	109.9	E179 A180 D184 N185 F186	E179-K182 PolarHBondContact O-N 2.67Å; A180-K182 VanDerWaalsContact C-N 3.32Å; K182-D184 PolarHBondContact O-N 3.24Å; K182-N185 PolarHBondContact O-N 2.86Å; K182-N185 VanDerWaalsContact O-N 3.16Å; K182-F186 WeakPolarHBondContact O-CD2 3.47Å
183	L	94.3	Very high	93.7	Very high	42 Å²	42	53.4 Å²	53.4	22%	0.22	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62	-24.6	177.4	-169.8	61.4	0	0	0	112.3	N185 F186 L216 W225 L238	L183-N185 PolarHBondContact O-N 2.79Å; L183-N185 VanDerWaalsContact O-N 3.15Å; L183-F186 HydrophobicContact CD1-CD2 4.47Å; L183-F186 PolarHBondContact O-N 2.84Å; L183-F186 VanDerWaalsContact O-N 3.07Å; L183-L216 HydrophobicContact CD1-CB 3.84Å; L183-L216 HydrophobicContact CD1-CD1 3.98Å; L183-L216 HydrophobicContact CD2-CB 4.4Å; L183-L216 HydrophobicContact CG-CB 3.92Å; L183-W225 HydrophobicContact CD1-CB 4.13Å; L183-W225 HydrophobicContact CD1-CG 4.47Å; L183-W225 HydrophobicContact CD2-CB 4.05Å; L183-L238 HydrophobicContact CD1-CD2 3.82Å
184	D	91.7	Very high	92.5	Very high	71 Å²	71	51.3 Å²	51.3	38%	0.38	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.2	-21.6	176.9	-61.4	-20.3	0	0	0	113.9	K182 F186 V215 S217	K182-D184 PolarHBondContact O-N 3.24Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 3.09Å; D184-V215 HydrophobicContact CB-CG1 4.44Å; D184-S217 WeakPolarHBondContact OD1-CB 3.27Å; D184-S217 PolarHBondContact OD1-OG 3.15Å
185	N	94.5	Very high	90.9	Very high	16 Å²	16	54.2 Å²	54.2	9%	0.086	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-89.3	9.7	178.5	-69.7	-46.7	0	0	0	113.4	P154 R155 L175 E179 K182 L183	P154-N185 CarbonylContact C-O 3.48Å; P154-N185 WeakPolarHBondContact CA-O 3.09Å; R155-N185 HydrophobicContact CB-CB 4.48Å; R155-N185 WeakPolarHBondContact CB-O 3.37Å; R155-N185 PolarHBondContact N-O 3.17Å; L175-N185 HydrophobicContact CD1-CB 3.78Å; L175-N185 HydrophobicContact CD2-CB 4.17Å; E179-N185 VanDerWaalsContact CA-ND2 3.3Å; E179-N185 WeakPolarHBondContact CA-ND2 3.13Å; E179-N185 WeakPolarHBondContact CB-ND2 3.49Å; E179-N185 PolarHBondContact O-ND2 2.83Å; K182-N185 PolarHBondContact O-N 2.86Å; K182-N185 VanDerWaalsContact O-N 3.16Å; L183-N185 PolarHBondContact O-N 2.79Å; L183-N185 VanDerWaalsContact O-N 3.15Å
186	F	95.9	Very high	89	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.2	175.6	-59.2	-83.3	0	0	0	109.9	V152 P154 L175 A180 K182 L183 D184 L216 L227 L238 F248 H250	V152-F186 HydrophobicContact CG1-CB 4.08Å; V152-F186 HydrophobicContact CG1-CD1 4.36Å; P154-F186 HydrophobicContact CB-CD1 4.36Å; P154-F186 HydrophobicContact CB-CE1 4.35Å; L175-F186 HydrophobicContact CD1-CE1 3.97Å; L175-F186 HydrophobicContact CD1-CZ 3.96Å; A180-F186 WeakPolarHBondContact O-CE2 3.29Å; K182-F186 WeakPolarHBondContact O-CD2 3.47Å; L183-F186 HydrophobicContact CD1-CD2 4.47Å; L183-F186 PolarHBondContact O-N 2.84Å; L183-F186 VanDerWaalsContact O-N 3.07Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 3.09Å; F186-L216 HydrophobicContact CB-CD1 3.7Å; F186-L216 HydrophobicContact CB-CG 4.03Å; F186-L216 WeakPolarHBondContact O-CG 3.45Å; F186-L216 PolarHBondContact O-N 2.99Å; F186-L227 HydrophobicContact CE2-CD1 4.06Å; F186-L238 HydrophobicContact CB-CD1 3.89Å; F186-L238 HydrophobicContact CD1-CD1 3.53Å; F186-L238 HydrophobicContact CD2-CD1 3.8Å; F186-L238 HydrophobicContact CE1-CD1 3.94Å; F186-L238 HydrophobicContact CE2-CD1 4.16Å; F186-L238 HydrophobicContact CG-CD1 3.45Å; F186-L238 VanDerWaalsContact CG-CD1 3.45Å; F186-L238 HydrophobicContact CZ-CD1 4.22Å; F186-F248 AromaticContact CD1-CE1 3.79Å; F186-F248 HydrophobicContact CD1-CE1 3.79Å; F186-F248 HydrophobicContact CD1-CZ 4.04Å; F186-F248 AromaticContact CE1-CE1 3.53Å; F186-F248 HydrophobicContact CE1-CE1 3.53Å; F186-F248 HydrophobicContact CE1-CZ 4Å; F186-H250 HydrophobicContact CE1-CB 4.4Å
187	L	95.1	Very high	86.8	Confident	4 Å²	4	59 Å²	59	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.1	-169.4	-49.7	176.8	0	0	0	110.5	V152 V153 R155 L213 D214 V215	V152-L187 WeakPolarHBondContact CA-O 3.24Å; V153-L187 HydrophobicContact CG2-CB 4.2Å; V153-L187 PolarHBondContact N-O 3.28Å; V153-L187 PolarHBondContact O-N 3.3Å; R155-L187 HydrophobicContact CB-CD1 4.25Å; R155-L187 HydrophobicContact CB-CG 4.49Å; R155-L187 HydrophobicContact CG-CD1 4.4Å; L187-L213 HydrophobicContact CB-CB 3.84Å; L187-L213 HydrophobicContact CB-CD1 4.1Å; L187-L213 HydrophobicContact CD1-CB 4.08Å; L187-L213 HydrophobicContact CD1-CD1 4.28Å; L187-L213 HydrophobicContact CG-CB 4.46Å; L187-D214 CarbonylContact C-O 3.59Å; L187-D214 VanDerWaalsContact CA-O 3.27Å; L187-D214 WeakPolarHBondContact CA-O 3.46Å; L187-V215 HydrophobicContact CD2-CB 4.12Å; L187-V215 HydrophobicContact CD2-CG2 3.25Å
188	H	95.4	Very high	84.8	Confident	3 Å²	3	59.2 Å²	59.2	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.1	168.9	-77.3	-66.9	0	0	0	110.4	E149 S151 R190 L213 D214 L216 D219	E149-H188 PolarHBondContact O-CE1 3.12Å; E149-H188 PolarHBondContact O-ND1 3.32Å; S151-H188 CarbonylContact O-C 3.44Å; S151-H188 WeakPolarHBondContact O-CA 3.43Å; H188-R190 VanDerWaalsContact C-N 3.28Å; H188-R190 HydrophobicContact CB-CG 4.11Å; H188-R190 PolarHBondContact O-N 2.84Å; H188-L213 WeakPolarHBondContact O-CB 3.47Å; H188-D214 HydrophobicContact CB-CB 4.37Å; H188-D214 PolarHBondContact N-O 3.47Å; H188-L216 WeakPolarHBondContact CE1-CD2 3.35Å; H188-L216 VanDerWaalsContact NE2-CD2 3.27Å; H188-L216 WeakPolarHBondContact NE2-CD2 3Å; H188-D219 IonicContact CD2-OD1 3.89Å; H188-D219 IonicContact CE1-OD1 2.69Å; H188-D219 IonicContact CE1-OD2 3.32Å; H188-D219 PolarHBondContact CE1-OD2 2.75Å; H188-D219 IonicContact NE2-OD1 2.75Å; H188-D219 PolarHBondContact NE2-OD1 3.32Å; H188-D219 IonicContact NE2-OD2 3.41Å; H188-D219 PolarHBondContact NE2-OD2 2.71Å
189	F	94.9	Very high	82.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-89.3	63.7	-178.2	-163.3	-116.3	0	0	0	112.4	R63 E67 L68 R71 S151 V153 F158 V166 L213	R63-F189 VanDerWaalsContact NH1-CE1 3.31Å; E67-F189 HydrophobicContact CB-CE1 4.36Å; E67-F189 HydrophobicContact CB-CZ 3.77Å; E67-F189 WeakPolarHBondContact O-CE1 3.28Å; L68-F189 HydrophobicContact CD1-CD2 4.36Å; L68-F189 HydrophobicContact CD1-CE1 4.43Å; L68-F189 HydrophobicContact CD1-CE2 4.29Å; L68-F189 HydrophobicContact CD1-CG 4.45Å; L68-F189 HydrophobicContact CD1-CZ 4.3Å; R71-F189 PolarHBondContact NH1-O 3.42Å; R71-F189 PolarHBondContact NH2-O 2.94Å; S151-F189 PolarHBondContact O-N 2.8Å; V153-F189 HydrophobicContact CB-CB 4.49Å; V153-F189 HydrophobicContact CB-CD2 4.35Å; V153-F189 HydrophobicContact CG1-CB 3.74Å; V153-F189 HydrophobicContact CG1-CD1 4.35Å; V153-F189 HydrophobicContact CG1-CD2 3.71Å; V153-F189 HydrophobicContact CG1-CE2 4.47Å; V153-F189 HydrophobicContact CG1-CG 3.66Å; V153-F189 HydrophobicContact CG2-CB 4.04Å; V153-F189 HydrophobicContact CG2-CD2 3.73Å; V153-F189 HydrophobicContact CG2-CG 4.23Å; F158-F189 HydrophobicContact CB-CE2 4.09Å; F158-F189 AromaticContact CD1-CE2 3.67Å; F158-F189 HydrophobicContact CD1-CE2 3.67Å; F158-F189 AromaticContact CD1-CZ 3.68Å; F158-F189 HydrophobicContact CD1-CZ 3.68Å; F158-F189 HydrophobicContact CD2-CD2 4.1Å; F158-F189 AromaticContact CD2-CE2 3.63Å; F158-F189 HydrophobicContact CD2-CE2 3.63Å; F158-F189 HydrophobicContact CD2-CZ 4.25Å; F158-F189 HydrophobicContact CE1-CE1 4.38Å; F158-F189 AromaticContact CE1-CE2 3.95Å; F158-F189 HydrophobicContact CE1-CE2 3.95Å; F158-F189 AromaticContact CE1-CZ 3.59Å; F158-F189 HydrophobicContact CE1-CZ 3.59Å; F158-F189 HydrophobicContact CE2-CD2 4.34Å; F158-F189 AromaticContact CE2-CE2 3.95Å; F158-F189 HydrophobicContact CE2-CE2 3.95Å; F158-F189 HydrophobicContact CE2-CZ 4.21Å; F158-F189 HydrophobicContact CG-CD2 4.37Å; F158-F189 AromaticContact CG-CE2 3.49Å; F158-F189 HydrophobicContact CG-CE2 3.49Å; F158-F189 VanDerWaalsContact CG-CE2 3.49Å; F158-F189 HydrophobicContact CG-CZ 4.01Å; F158-F189 HydrophobicContact CZ-CE1 4.37Å; F158-F189 HydrophobicContact CZ-CE2 4.09Å; F158-F189 AromaticContact CZ-CZ 3.88Å; F158-F189 HydrophobicContact CZ-CZ 3.88Å; V166-F189 HydrophobicContact CG1-CE2 4.3Å; V166-F189 HydrophobicContact CG1-CZ 4.45Å; F189-L213 HydrophobicContact CD2-CD1 3.9Å
190	R	92.8	Very high	80.6	Confident	28 Å²	28	59.4 Å²	59.4	11%	0.106	30%	0.296	C	S	.	.	S	Bend	trans	-146.8	172.7	176	58	159.7	165.6	83	6.5	110.7	L68 E148 H188 K193 L213 D214	L68-R190 VanDerWaalsContact CD1-CA 3.47Å; E148-R190 VanDerWaalsContact CG-CD 3.42Å; E148-R190 WeakPolarHBondContact O-CD 3.35Å; E148-R190 PolarHBondContact O-NE 2.67Å; H188-R190 VanDerWaalsContact C-N 3.28Å; H188-R190 HydrophobicContact CB-CG 4.11Å; H188-R190 PolarHBondContact O-N 2.84Å; R190-K193 VanDerWaalsContact NH1-CD 3.32Å; R190-L213 WeakPolarHBondContact O-CD2 3.21Å; R190-D214 IonicContact CZ-OD2 3.24Å; R190-D214 IonicContact NH1-OD2 2.89Å; R190-D214 PolarHBondContact NH1-OD2 2.84Å; R190-D214 IonicContact NH2-OD2 2.73Å; R190-D214 PolarHBondContact NH2-OD2 3.42Å
191	E	90.3	Very high	78.4	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	34%	0.336	S	S	.	.			trans	-57.2	136	169.5	-66.8	-73.3	-175.9	0	0	110	L68 K69 K193	L68-E191 HydrophobicContact CD2-CG 4.02Å; K69-E191 WeakPolarHBondContact CE-OE1 3.42Å; K69-E191 IonicContact NZ-OE1 3.76Å; E191-K193 PolarHBondContact O-N 3.06Å
192	P	87.7	Confident	76.5	Confident	41 Å²	41	69.8 Å²	69.8	27%	0.266	34%	0.343	S	S	.	.			trans	-65.6	130.5	-176.6	27	-34	0	0	0	109.9
193	K	84.5	Confident	74.5	Confident	121 Å²	121	68.5 Å²	68.5	53%	0.526	34%	0.34	S	S	.	.	S	Bend	trans	-82.7	-29.7	178.7	-87.7	172.3	-165	-171.2	0	111.7	E148 R190 E191 D214	E148-K193 WeakPolarHBondContact OE1-CE 3.4Å; E148-K193 IonicContact OE1-NZ 2.67Å; E148-K193 PolarHBondContact OE1-NZ 3.47Å; R190-K193 VanDerWaalsContact NH1-CD 3.32Å; E191-K193 PolarHBondContact O-N 3.06Å; K193-D214 PolarHBondContact N-OD2 3.03Å
194	R	71.8	Confident	72.7	Confident	114 Å²	114	70.8 Å²	70.8	43%	0.43	37%	0.374	S	S	.	.	S	Bend	trans	-99.6	135.4	178.8	-64	-179.8	-179.7	159.5	4.9	107.5	N196 D218	R194-N196 PolarHBondContact O-N 3.06Å; R194-D218 PolarHBondContact NH1-O 2.95Å; R194-D218 PolarHBondContact NH2-O 3.05Å
195	A	61.8	Low	71.6	Confident	79 Å²	79	73.7 Å²	73.7	65%	0.653	39%	0.389	S	S	*	.			trans	-59.5	125.3	163.8	0	0	0	0	0	106.8	T197	A195-T197 PolarHBondContact O-N 3.32Å; A195-T197 PolarHBondContact O-OG1 3.29Å
196	N	56.1	Low	70.6	Confident	41 Å²	41	77.5 Å²	77.5	22%	0.219	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-64	25.7	-175.1	-82.5	-4.8	0	0	0	114.5	R194 L198 Y199 D211	R194-N196 PolarHBondContact O-N 3.06Å; N196-L198 PolarHBondContact O-N 2.85Å; N196-L198 VanDerWaalsContact O-N 3.09Å; N196-Y199 HydrophobicContact CB-CD2 3.86Å; N196-Y199 PolarHBondContact O-N 3.28Å; N196-D211 PolarHBondContact ND2-O 3.26Å
197	T	49.5	Very low	70	Confident	98 Å²	98	79.7 Å²	79.7	60%	0.601	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24.2	178.3	-24.1	0	0	0	0	112.3	A195	A195-T197 PolarHBondContact O-N 3.32Å; A195-T197 PolarHBondContact O-OG1 3.29Å
198	L	51	Low	69.5	Low	94 Å²	94	83.1 Å²	83.1	49%	0.492	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-81.4	-14.3	178.6	-74.6	161.9	0	0	0	114.6	N196	N196-L198 PolarHBondContact O-N 2.85Å; N196-L198 VanDerWaalsContact O-N 3.09Å
199	Y	50.8	Low	69.1	Low	32 Å²	32	84.4 Å²	84.4	13%	0.125	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-82	-19.3	-179.1	-78.5	-88.7	0	0	0	113.8	N196 E201 V215	N196-Y199 HydrophobicContact CB-CD2 3.86Å; N196-Y199 PolarHBondContact O-N 3.28Å; Y199-E201 PolarHBondContact O-N 2.72Å; Y199-E201 VanDerWaalsContact O-N 3.1Å; Y199-V215 HydrophobicContact CE1-CG2 3.75Å; Y199-V215 WeakPolarHBondContact OH-CB 3.41Å; Y199-V215 WeakPolarHBondContact OH-CG2 3.19Å; Y199-V215 PolarHBondContact OH-N 2.89Å
200	L	49.2	Very low	68.8	Low	124 Å²	124	86.3 Å²	86.3	65%	0.649	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-61	-20.3	-178.1	-70.5	166.8	0	0	0	113.2
201	E	49.8	Very low	68.6	Low	177 Å²	177	85.5 Å²	85.5	83%	0.827	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-113.6	-14.2	-168.5	-63.2	-178.5	162.8	0	0	115	Y199	Y199-E201 PolarHBondContact O-N 2.72Å; Y199-E201 VanDerWaalsContact O-N 3.1Å
202	R	54.6	Low	68.5	Low	162 Å²	162	81.5 Å²	81.5	61%	0.611	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-20.9	-165.2	-74.7	-175.9	175.3	176.8	0.6	116.4	D218	R202-D218 IonicContact NH1-OD1 3.69Å
203	M	53	Low	68.7	Low	101 Å²	101	79.7 Å²	79.7	50%	0.498	43%	0.428	S	S	.	.			trans	-135.5	115.2	-171.5	-70.3	-85.4	141.5	0	0	109.4	D205 W206	M203-D205 PolarHBondContact O-N 3.46Å; M203-W206 PolarHBondContact O-N 3.19Å
204	G	56.8	Low	69.1	Low	90 Å²	90	74.6 Å²	74.6	93%	0.928	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.5	174.4	0	0	0	0	0	114.2
205	D	67.3	Low	70	Confident	131 Å²	131	69.7 Å²	69.7	70%	0.701	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	32.6	-176.8	-58.7	-35.5	0	0	0	112.9	R155 M203	R155-D205 PolarHBondContact NH2-O 3.35Å; M203-D205 PolarHBondContact O-N 3.46Å
206	W	74.3	Confident	71.5	Confident	96 Å²	96	66 Å²	66	36%	0.364	36%	0.358	S	S	.	.			trans	-68.4	129.8	177.6	-179.9	79.3	0	0	0	111.8	M203 P208 D211	M203-W206 PolarHBondContact O-N 3.19Å; W206-P208 HydrophobicContact CE3-CG 4.24Å; W206-P208 HydrophobicContact CH2-CB 3.4Å; W206-P208 VanDerWaalsContact CH2-CB 3.4Å; W206-P208 HydrophobicContact CH2-CG 3.42Å; W206-P208 VanDerWaalsContact CH2-CG 3.42Å; W206-P208 HydrophobicContact CZ2-CB 3.68Å; W206-P208 HydrophobicContact CZ2-CG 4.11Å; W206-P208 HydrophobicContact CZ3-CB 4.01Å; W206-P208 VanDerWaalsContact CZ3-CD 3.43Å; W206-P208 HydrophobicContact CZ3-CG 3.49Å; W206-P208 VanDerWaalsContact CZ3-CG 3.49Å; W206-D211 HydrophobicContact CG-CB 4.5Å
207	C	83	Confident	73.2	Confident	46 Å²	46	65.2 Å²	65.2	31%	0.311	36%	0.356	S	S	.	.			trans	-128.7	114.6	176.2	-177.6	0	0	0	0	110.3	A209 I210 D211	C207-A209 PolarHBondContact O-N 3.1Å; C207-I210 HydrophobicContact CB-CB 4.22Å; C207-I210 HydrophobicContact CB-CD1 4.2Å; C207-I210 HydrophobicContact CB-CG1 4.39Å; C207-I210 PolarHBondContact O-N 3.45Å; C207-D211 PolarHBondContact N-OD2 3.19Å; C207-D211 WeakPolarHBondContact O-CB 3.44Å; C207-D211 PolarHBondContact O-N 2.62Å
208	P	84.2	Confident	75.2	Confident	77 Å²	77	62 Å²	62	50%	0.5	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	-176.4	7.3	-12	0	0	0	114.5	W206 I210	W206-P208 HydrophobicContact CE3-CG 4.24Å; W206-P208 HydrophobicContact CH2-CB 3.4Å; W206-P208 VanDerWaalsContact CH2-CB 3.4Å; W206-P208 HydrophobicContact CH2-CG 3.42Å; W206-P208 VanDerWaalsContact CH2-CG 3.42Å; W206-P208 HydrophobicContact CZ2-CB 3.68Å; W206-P208 HydrophobicContact CZ2-CG 4.11Å; W206-P208 HydrophobicContact CZ3-CB 4.01Å; W206-P208 VanDerWaalsContact CZ3-CD 3.43Å; W206-P208 HydrophobicContact CZ3-CG 3.49Å; W206-P208 VanDerWaalsContact CZ3-CG 3.49Å; P208-I210 VanDerWaalsContact C-N 3.33Å
209	A	87.6	Confident	77.1	Confident	29 Å²	29	58.9 Å²	58.9	24%	0.24	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.3	175.5	0	0	0	0	0	112.4	I159 R160 C207 F212	I159-A209 CarbonylContact C-O 3.55Å; I159-A209 WeakPolarHBondContact CA-O 3.49Å; I159-A209 HydrophobicContact CD1-CB 4.09Å; I159-A209 HydrophobicContact CG1-CB 3.78Å; I159-A209 WeakPolarHBondContact CG1-O 3.39Å; R160-A209 PolarHBondContact N-O 2.97Å; C207-A209 PolarHBondContact O-N 3.1Å; A209-F212 WeakPolarHBondContact O-CD1 3.42Å
210	I	89.3	Confident	78.9	Confident	41 Å²	41	63.4 Å²	63.4	21%	0.21	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-43.2	-176.3	-63.8	170.3	0	0	0	110.9	R155 C207 P208 F212	R155-I210 HydrophobicContact CG-CG2 4.06Å; C207-I210 HydrophobicContact CB-CB 4.22Å; C207-I210 HydrophobicContact CB-CD1 4.2Å; C207-I210 HydrophobicContact CB-CG1 4.39Å; C207-I210 PolarHBondContact O-N 3.45Å; P208-I210 VanDerWaalsContact C-N 3.33Å; I210-F212 VanDerWaalsContact C-N 3.32Å; I210-F212 WeakPolarHBondContact O-CD1 3.37Å; I210-F212 PolarHBondContact O-N 2.79Å
211	D	87.4	Confident	80.9	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.053	32%	0.321	C	S	.	.			trans	-95.1	54.4	-173.1	-58.6	-47	0	0	0	111.1	R155 N196 W206 C207	R155-D211 IonicContact CZ-OD1 3.45Å; R155-D211 IonicContact CZ-OD2 3.73Å; R155-D211 IonicContact NE-OD1 2.72Å; R155-D211 PolarHBondContact NE-OD1 2.73Å; R155-D211 IonicContact NE-OD2 3.78Å; R155-D211 IonicContact NH2-OD1 3.29Å; R155-D211 PolarHBondContact NH2-OD1 2.82Å; R155-D211 IonicContact NH2-OD2 2.8Å; R155-D211 PolarHBondContact NH2-OD2 3.19Å; N196-D211 PolarHBondContact ND2-O 3.26Å; W206-D211 HydrophobicContact CG-CB 4.5Å; C207-D211 PolarHBondContact N-OD2 3.19Å; C207-D211 WeakPolarHBondContact O-CB 3.44Å; C207-D211 PolarHBondContact O-N 2.62Å
212	F	90.1	Very high	82.8	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.031	31%	0.31	C	S	.	.			trans	-104.7	-0.8	-179.7	69.1	-87	0	0	0	113.8	F158 R160 V166 A209 I210	F158-F212 HydrophobicContact CB-CZ 4.28Å; R160-F212 HydrophobicContact CB-CB 4.4Å; R160-F212 HydrophobicContact CB-CD1 3.61Å; R160-F212 HydrophobicContact CB-CD2 4.14Å; R160-F212 HydrophobicContact CB-CE1 3.85Å; R160-F212 HydrophobicContact CB-CE2 4.32Å; R160-F212 HydrophobicContact CB-CG 3.79Å; R160-F212 HydrophobicContact CB-CZ 4.2Å; V166-F212 HydrophobicContact CB-CZ 4.5Å; V166-F212 HydrophobicContact CG1-CE2 4.11Å; V166-F212 HydrophobicContact CG1-CZ 3.67Å; V166-F212 HydrophobicContact CG2-CE2 3.68Å; V166-F212 HydrophobicContact CG2-CZ 3.99Å; A209-F212 WeakPolarHBondContact O-CD1 3.42Å; I210-F212 VanDerWaalsContact C-N 3.32Å; I210-F212 WeakPolarHBondContact O-CD1 3.37Å; I210-F212 PolarHBondContact O-N 2.79Å
213	L	91.6	Very high	84.5	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	30%	0.302	C	S	.	.	S	Bend	trans	-114	160.5	-176.4	-61.7	174.5	0	0	0	111.5	V153 L187 H188 F189 R190	V153-L213 HydrophobicContact CG2-CD1 3.86Å; L187-L213 HydrophobicContact CB-CB 3.84Å; L187-L213 HydrophobicContact CB-CD1 4.1Å; L187-L213 HydrophobicContact CD1-CB 4.08Å; L187-L213 HydrophobicContact CD1-CD1 4.28Å; L187-L213 HydrophobicContact CG-CB 4.46Å; H188-L213 WeakPolarHBondContact O-CB 3.47Å; F189-L213 HydrophobicContact CD2-CD1 3.9Å; R190-L213 WeakPolarHBondContact O-CD2 3.21Å
214	D	91.3	Very high	86.4	Confident	14 Å²	14	46.4 Å²	46.4	8%	0.075	28%	0.278	C	S	.	.			trans	-74.1	135.1	176.2	-65.1	-35.1	0	0	0	111	L187 H188 R190 K193	L187-D214 CarbonylContact C-O 3.59Å; L187-D214 VanDerWaalsContact CA-O 3.27Å; L187-D214 WeakPolarHBondContact CA-O 3.46Å; H188-D214 HydrophobicContact CB-CB 4.37Å; H188-D214 PolarHBondContact N-O 3.47Å; R190-D214 IonicContact CZ-OD2 3.24Å; R190-D214 IonicContact NH1-OD2 2.89Å; R190-D214 PolarHBondContact NH1-OD2 2.84Å; R190-D214 IonicContact NH2-OD2 2.73Å; R190-D214 PolarHBondContact NH2-OD2 3.42Å; K193-D214 PolarHBondContact N-OD2 3.03Å
215	V	92.1	Very high	88.3	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.067	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-79.8	140.7	176.3	164.2	0	0	0	0	111.8	D184 L187 Y199 S217 D218	D184-V215 HydrophobicContact CB-CG1 4.44Å; L187-V215 HydrophobicContact CD2-CB 4.12Å; L187-V215 HydrophobicContact CD2-CG2 3.25Å; Y199-V215 HydrophobicContact CE1-CG2 3.75Å; Y199-V215 WeakPolarHBondContact OH-CB 3.41Å; Y199-V215 WeakPolarHBondContact OH-CG2 3.19Å; Y199-V215 PolarHBondContact OH-N 2.89Å; V215-S217 VanDerWaalsContact C-N 3.32Å; V215-S217 WeakPolarHBondContact CG1-OG 3.35Å; V215-S217 PolarHBondContact O-N 3.34Å; V215-D218 PolarHBondContact O-N 2.96Å
216	L	93.4	Very high	89.6	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-64.3	-31	179.4	-65.7	-167	0	0	0	114.1	V152 L183 F186 H188 D218 D219 W225 L238	V152-L216 HydrophobicContact CG1-CD1 3.78Å; V152-L216 HydrophobicContact CG2-CD1 3.86Å; V152-L216 HydrophobicContact CG2-CD2 4.26Å; L183-L216 HydrophobicContact CD1-CB 3.84Å; L183-L216 HydrophobicContact CD1-CD1 3.98Å; L183-L216 HydrophobicContact CD2-CB 4.4Å; L183-L216 HydrophobicContact CG-CB 3.92Å; F186-L216 HydrophobicContact CB-CD1 3.7Å; F186-L216 HydrophobicContact CB-CG 4.03Å; F186-L216 WeakPolarHBondContact O-CG 3.45Å; F186-L216 PolarHBondContact O-N 2.99Å; H188-L216 WeakPolarHBondContact CE1-CD2 3.35Å; H188-L216 VanDerWaalsContact NE2-CD2 3.27Å; H188-L216 WeakPolarHBondContact NE2-CD2 3Å; L216-D218 PolarHBondContact O-N 2.86Å; L216-D219 VanDerWaalsContact O-CB 3.28Å; L216-D219 WeakPolarHBondContact O-CB 3Å; L216-D219 PolarHBondContact O-N 2.81Å; L216-D219 VanDerWaalsContact O-N 3.13Å; L216-W225 HydrophobicContact CD1-CD2 3.94Å; L216-W225 HydrophobicContact CD1-CE3 4.23Å; L216-W225 HydrophobicContact CD1-CG 4.39Å; L216-W225 HydrophobicContact CD1-CH2 4.34Å; L216-W225 HydrophobicContact CD1-CZ2 4.08Å; L216-W225 HydrophobicContact CD1-CZ3 4.4Å; L216-W225 HydrophobicContact CD2-CZ2 3.85Å; L216-L238 HydrophobicContact CD1-CD1 4.09Å
217	S	91.6	Very high	90.6	Very high	24 Å²	24	36 Å²	36	17%	0.168	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-64.3	-20.6	180	71.5	0	0	0	0	113	D184 V215 D219 K222	D184-S217 WeakPolarHBondContact OD1-CB 3.27Å; D184-S217 PolarHBondContact OD1-OG 3.15Å; V215-S217 VanDerWaalsContact C-N 3.32Å; V215-S217 WeakPolarHBondContact CG1-OG 3.35Å; V215-S217 PolarHBondContact O-N 3.34Å; S217-D219 VanDerWaalsContact C-N 3.3Å; S217-K222 PolarHBondContact O-NZ 2.79Å
218	D	90.3	Very high	91.2	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-87.1	3.9	177.8	-82	-18.2	0	0	0	114.2	R194 R202 V215 L216 K222	R194-D218 PolarHBondContact NH1-O 2.95Å; R194-D218 PolarHBondContact NH2-O 3.05Å; R202-D218 IonicContact NH1-OD1 3.69Å; V215-D218 PolarHBondContact O-N 2.96Å; L216-D218 PolarHBondContact O-N 2.86Å; D218-K222 IonicContact OD1-NZ 2.83Å
219	D	91	Very high	91.6	Very high	29 Å²	29	36.3 Å²	36.3	16%	0.155	20%	0.199	C	C	.	.			trans	-65.9	150.3	173.9	-76.6	-8.2	0	0	0	112.5	H188 L216 S217 P221 W225	H188-D219 IonicContact CD2-OD1 3.89Å; H188-D219 IonicContact CE1-OD1 2.69Å; H188-D219 IonicContact CE1-OD2 3.32Å; H188-D219 PolarHBondContact CE1-OD2 2.75Å; H188-D219 IonicContact NE2-OD1 2.75Å; H188-D219 PolarHBondContact NE2-OD1 3.32Å; H188-D219 IonicContact NE2-OD2 3.41Å; H188-D219 PolarHBondContact NE2-OD2 2.71Å; L216-D219 VanDerWaalsContact O-CB 3.28Å; L216-D219 WeakPolarHBondContact O-CB 3Å; L216-D219 PolarHBondContact O-N 2.81Å; L216-D219 VanDerWaalsContact O-N 3.13Å; S217-D219 VanDerWaalsContact C-N 3.3Å; D219-P221 CarbonylContact O-C 3.51Å; D219-W225 PolarHBondContact OD2-NE1 3.26Å
220	I	89	Confident	91.7	Very high	128 Å²	128	36.3 Å²	36.3	66%	0.656	19%	0.194	S	C	*	.	S	Bend	trans	-122.5	128.3	179.3	-58.3	173.9	0	0	0	107.6
221	P	91.3	Very high	91.5	Very high	25 Å²	25	37 Å²	37	16%	0.162	20%	0.202	C	C	.	.	S	Bend	cis	-70.9	155	0.3	30.6	-36.4	0	0	0	113.4	D219 G223 S224 L271 P272 L275	D219-P221 CarbonylContact O-C 3.51Å; P221-G223 PolarHBondContact O-N 2.89Å; P221-S224 VanDerWaalsContact CD-OG 3.31Å; P221-S224 WeakPolarHBondContact CD-OG 3.45Å; P221-S224 WeakPolarHBondContact O-CB 3.07Å; P221-S224 PolarHBondContact O-N 3.36Å; P221-S224 PolarHBondContact O-OG 2.69Å; P221-L271 HydrophobicContact CG-CD2 3.85Å; P221-L271 HydrophobicContact CG-CG 4.08Å; P221-P272 HydrophobicContact CG-CG 4.16Å; P221-L275 HydrophobicContact CB-CD1 4.03Å; P221-L275 HydrophobicContact CG-CD1 3.87Å
222	K	90.2	Very high	91.4	Very high	138 Å²	138	40.8 Å²	40.8	60%	0.6	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	135.6	170.4	-68.4	-68.5	-179.4	177.2	0	108.6	S217 D218 L275	S217-K222 PolarHBondContact O-NZ 2.79Å; D218-K222 IonicContact OD1-NZ 2.83Å; K222-L275 WeakPolarHBondContact O-CD1 3.48Å
223	G	90.4	Very high	91.1	Very high	42 Å²	42	43.5 Å²	43.5	43%	0.433	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	11.2	-171.2	0	0	0	0	0	114.2	P221 W225 L241	P221-G223 PolarHBondContact O-N 2.89Å; G223-W225 PolarHBondContact O-N 3.32Å; G223-W225 VanDerWaalsContact O-N 3.1Å; G223-L241 WeakPolarHBondContact O-CD1 3.45Å
224	S	93.3	Very high	91	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	29%	0.286	C	S	.	.			trans	-63.8	-10.9	174.9	-68.2	0	0	0	0	115.3	P221 L241	P221-S224 VanDerWaalsContact CD-OG 3.31Å; P221-S224 WeakPolarHBondContact CD-OG 3.45Å; P221-S224 WeakPolarHBondContact O-CB 3.07Å; P221-S224 PolarHBondContact O-N 3.36Å; P221-S224 PolarHBondContact O-OG 2.69Å; S224-L241 PolarHBondContact O-N 3.28Å
225	W	95.8	Very high	91.1	Very high	22 Å²	22	51.6 Å²	51.6	8%	0.083	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.1	-176.3	-67.4	95.9	0	0	0	110.8	V150 V152 L183 L216 D219 G223 L238 R239 L246	V150-W225 HydrophobicContact CB-CH2 4.05Å; V150-W225 HydrophobicContact CB-CZ2 4.44Å; V150-W225 HydrophobicContact CG1-CH2 3.97Å; V150-W225 HydrophobicContact CG1-CZ2 4.04Å; V152-W225 HydrophobicContact CG2-CH2 3.32Å; V152-W225 HydrophobicContact CG2-CZ2 4.01Å; V152-W225 HydrophobicContact CG2-CZ3 3.8Å; L183-W225 HydrophobicContact CD1-CB 4.13Å; L183-W225 HydrophobicContact CD1-CG 4.47Å; L183-W225 HydrophobicContact CD2-CB 4.05Å; L216-W225 HydrophobicContact CD1-CD2 3.94Å; L216-W225 HydrophobicContact CD1-CE3 4.23Å; L216-W225 HydrophobicContact CD1-CG 4.39Å; L216-W225 HydrophobicContact CD1-CH2 4.34Å; L216-W225 HydrophobicContact CD1-CZ2 4.08Å; L216-W225 HydrophobicContact CD1-CZ3 4.4Å; L216-W225 HydrophobicContact CD2-CZ2 3.85Å; D219-W225 PolarHBondContact OD2-NE1 3.26Å; G223-W225 PolarHBondContact O-N 3.32Å; G223-W225 VanDerWaalsContact O-N 3.1Å; W225-L238 HydrophobicContact CE3-CB 4.31Å; W225-R239 WeakPolarHBondContact CA-O 3.25Å; W225-L246 HydrophobicContact CH2-CD2 3.47Å; W225-L246 VanDerWaalsContact CH2-CD2 3.47Å; W225-L246 HydrophobicContact CZ3-CD2 3.44Å; W225-L246 VanDerWaalsContact CZ3-CD2 3.44Å
226	S	94.9	Very high	91.2	Very high	27 Å²	27	51 Å²	51	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.7	167.3	169.2	0	0	0	0	109.2	Q228 L238 R239	S226-Q228 PolarHBondContact OG-NE2 2.78Å; S226-L238 WeakPolarHBondContact O-CA 3.47Å; S226-R239 PolarHBondContact N-O 2.88Å; S226-R239 PolarHBondContact O-N 2.54Å
227	L	95.7	Very high	91.3	Very high	51 Å²	51	51 Å²	51	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.7	175	-170.6	163.2	0	0	0	109.5	F186 F229 L238	F186-L227 HydrophobicContact CE2-CD1 4.06Å; L227-F229 HydrophobicContact CD2-CD2 4.15Å; L227-F229 HydrophobicContact CD2-CE2 4.01Å; L227-L238 HydrophobicContact CB-CD2 3.6Å; L227-L238 HydrophobicContact CD1-CD2 3.92Å; L227-L238 HydrophobicContact CG-CD2 3.65Å
228	Q	94.1	Very high	91.5	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.2	-177.3	-67.6	177.2	-10.8	0	0	111	S226 V237	S226-Q228 PolarHBondContact OG-NE2 2.78Å; Q228-V237 PolarHBondContact N-O 2.96Å; Q228-V237 PolarHBondContact O-N 3.21Å
229	F	93.3	Very high	91.8	Very high	38 Å²	38	50.5 Å²	50.5	17%	0.167	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.6	172.6	-90.5	-101.8	0	0	0	109	E177 A180 R181 L227 S233 V235 C236 P252	E177-F229 HydrophobicContact CG-CE1 4.06Å; E177-F229 HydrophobicContact CG-CZ 4.35Å; A180-F229 HydrophobicContact CB-CZ 3.95Å; R181-F229 HydrophobicContact CB-CE2 4.27Å; R181-F229 HydrophobicContact CG-CD2 4.16Å; R181-F229 HydrophobicContact CG-CE2 3.32Å; R181-F229 HydrophobicContact CG-CZ 3.67Å; L227-F229 HydrophobicContact CD2-CD2 4.15Å; L227-F229 HydrophobicContact CD2-CE2 4.01Å; F229-S233 WeakPolarHBondContact CD1-O 3.41Å; F229-V235 CarbonylContact C-O 3.49Å; F229-V235 WeakPolarHBondContact CA-O 3.48Å; F229-C236 HydrophobicContact CE1-CB 4.24Å; F229-C236 HydrophobicContact CE2-CB 4.14Å; F229-C236 HydrophobicContact CZ-CB 3.95Å; F229-P252 HydrophobicContact CE1-CG 4.08Å
230	E	90.1	Very high	92	Very high	29 Å²	29	49.3 Å²	49.3	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	175.3	-176.4	-66.7	-174.9	-163.6	0	0	111.1	C15 A232 S233 R234 V235 V237 R239	C15-E230 WeakPolarHBondContact CB-OE2 3.42Å; E230-A232 PolarHBondContact O-N 3.13Å; E230-S233 PolarHBondContact O-N 2.83Å; E230-R234 PolarHBondContact O-N 3.25Å; E230-V235 PolarHBondContact N-O 3.03Å; E230-V235 PolarHBondContact O-N 3.13Å; E230-V237 HydrophobicContact CB-CG2 4.15Å; E230-V237 HydrophobicContact CG-CG2 4.15Å; E230-R239 IonicContact OE1-CZ 3.62Å; E230-R239 IonicContact OE1-NH1 3.45Å; E230-R239 PolarHBondContact OE1-NH1 3.13Å; E230-R239 IonicContact OE1-NH2 3.06Å; E230-R239 PolarHBondContact OE1-NH2 3.02Å; E230-R239 IonicContact OE2-NH2 2.85Å
231	C	84.9	Confident	92.2	Very high	57 Å²	57	45.6 Å²	45.6	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	54	179.1	-60.4	0	0	0	0	113	S233 R234 V235	C231-S233 VanDerWaalsContact C-N 3.35Å; C231-S233 PolarHBondContact O-N 2.83Å; C231-R234 WeakPolarHBondContact O-CB 3.36Å; C231-R234 VanDerWaalsContact O-CG 3.29Å; C231-R234 WeakPolarHBondContact O-CG 3.31Å; C231-R234 PolarHBondContact O-N 3.32Å; C231-V235 HydrophobicContact CB-CG2 4.04Å
232	A	85.3	Confident	92.4	Very high	88 Å²	88	45.5 Å²	45.5	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	45.4	-174.2	0	0	0	0	0	113	E230 R234	E230-A232 PolarHBondContact O-N 3.13Å; A232-R234 PolarHBondContact O-N 3.29Å
233	S	83.9	Confident	92.6	Very high	64 Å²	64	39.1 Å²	39.1	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	24.5	180	-54.5	0	0	0	0	115.3	F229 E230 C231	F229-S233 WeakPolarHBondContact CD1-O 3.41Å; E230-S233 PolarHBondContact O-N 2.83Å; C231-S233 VanDerWaalsContact C-N 3.35Å; C231-S233 PolarHBondContact O-N 2.83Å
234	R	88.7	Confident	92.7	Very high	185 Å²	185	41 Å²	41	70%	0.698	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-16.7	179.6	-62.2	-179.4	-171.3	-175.8	2.7	113.8	E230 C231 A232 P252	E230-R234 PolarHBondContact O-N 3.25Å; C231-R234 WeakPolarHBondContact O-CB 3.36Å; C231-R234 VanDerWaalsContact O-CG 3.29Å; C231-R234 WeakPolarHBondContact O-CG 3.31Å; C231-R234 PolarHBondContact O-N 3.32Å; A232-R234 PolarHBondContact O-N 3.29Å; R234-P252 WeakPolarHBondContact O-CD 3.47Å
235	V	93.6	Very high	92.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.7	-176	-174.2	0	0	0	0	108.4	F12 F229 E230 C231 V237 V251	F12-V235 HydrophobicContact CB-CG1 4.29Å; F12-V235 HydrophobicContact CD1-CG2 3.64Å; F12-V235 HydrophobicContact CE1-CG2 4.1Å; F12-V235 HydrophobicContact CG-CG2 4.41Å; F229-V235 CarbonylContact C-O 3.49Å; F229-V235 WeakPolarHBondContact CA-O 3.48Å; E230-V235 PolarHBondContact N-O 3.03Å; E230-V235 PolarHBondContact O-N 3.13Å; C231-V235 HydrophobicContact CB-CG2 4.04Å; V235-V237 HydrophobicContact CG1-CG2 3.92Å; V235-V251 HydrophobicContact CG2-CG2 4.4Å
236	C	95.4	Very high	92.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.2	167.4	-179.3	0	0	0	0	108.4	A180 F229 Y249 H250	A180-C236 HydrophobicContact CB-CB 4.24Å; A180-C236 PolarHBondContact O-SG 3.37Å; F229-C236 HydrophobicContact CE1-CB 4.24Å; F229-C236 HydrophobicContact CE2-CB 4.14Å; F229-C236 HydrophobicContact CZ-CB 3.95Å; C236-Y249 CarbonylContact O-C 3.52Å; C236-Y249 VanDerWaalsContact O-CA 3.28Å; C236-Y249 WeakPolarHBondContact O-CA 3.32Å; C236-H250 PolarHBondContact N-O 2.94Å; C236-H250 PolarHBondContact O-N 3.13Å
237	V	95.4	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	-178.9	-179.1	0	0	0	0	108.9	Q228 E230 V235 R239 T247 F248	Q228-V237 PolarHBondContact N-O 2.96Å; Q228-V237 PolarHBondContact O-N 3.21Å; E230-V237 HydrophobicContact CB-CG2 4.15Å; E230-V237 HydrophobicContact CG-CG2 4.15Å; V235-V237 HydrophobicContact CG1-CG2 3.92Å; V237-R239 HydrophobicContact CG1-CG 4.38Å; V237-T247 HydrophobicContact CG1-CG2 3.7Å; V237-F248 CarbonylContact C-O 3.55Å; V237-F248 VanDerWaalsContact CA-O 3.29Å; V237-F248 WeakPolarHBondContact CA-O 3.28Å
238	L	95.8	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.8	173	-68	170.7	0	0	0	109.8	V152 L183 F186 L216 W225 S226 L227 F248	V152-L238 HydrophobicContact CG1-CD1 4.06Å; L183-L238 HydrophobicContact CD1-CD2 3.82Å; F186-L238 HydrophobicContact CB-CD1 3.89Å; F186-L238 HydrophobicContact CD1-CD1 3.53Å; F186-L238 HydrophobicContact CD2-CD1 3.8Å; F186-L238 HydrophobicContact CE1-CD1 3.94Å; F186-L238 HydrophobicContact CE2-CD1 4.16Å; F186-L238 HydrophobicContact CG-CD1 3.45Å; F186-L238 VanDerWaalsContact CG-CD1 3.45Å; F186-L238 HydrophobicContact CZ-CD1 4.22Å; L216-L238 HydrophobicContact CD1-CD1 4.09Å; W225-L238 HydrophobicContact CE3-CB 4.31Å; S226-L238 WeakPolarHBondContact O-CA 3.47Å; L227-L238 HydrophobicContact CB-CD2 3.6Å; L227-L238 HydrophobicContact CD1-CD2 3.92Å; L227-L238 HydrophobicContact CG-CD2 3.65Å; L238-F248 HydrophobicContact CB-CB 4.08Å; L238-F248 HydrophobicContact CB-CD1 3.92Å; L238-F248 HydrophobicContact CB-CG 4.42Å; L238-F248 HydrophobicContact CD1-CD1 3.69Å; L238-F248 HydrophobicContact CD1-CE1 4.03Å; L238-F248 HydrophobicContact CD1-CG 4.45Å; L238-F248 HydrophobicContact CG-CD1 3.99Å; L238-F248 PolarHBondContact N-O 3.16Å; L238-F248 PolarHBondContact O-N 3.18Å
239	R	95.1	Very high	92.7	Very high	45 Å²	45	32.9 Å²	32.9	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.7	174.9	-64.4	179.8	175.6	88.4	4.8	110	W225 S226 E230 V237	W225-R239 WeakPolarHBondContact CA-O 3.25Å; S226-R239 PolarHBondContact N-O 2.88Å; S226-R239 PolarHBondContact O-N 2.54Å; E230-R239 IonicContact OE1-CZ 3.62Å; E230-R239 IonicContact OE1-NH1 3.45Å; E230-R239 PolarHBondContact OE1-NH1 3.13Å; E230-R239 IonicContact OE1-NH2 3.06Å; E230-R239 PolarHBondContact OE1-NH2 3.02Å; E230-R239 IonicContact OE2-NH2 2.85Å; V237-R239 HydrophobicContact CG1-CG 4.38Å
240	S	95.2	Very high	92.9	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.028	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.1	171.9	-174.7	0	0	0	0	109.9	V150 L242 W243 L246	V150-S240 WeakPolarHBondContact CG1-OG 3.46Å; S240-L242 PolarHBondContact OG-N 3.19Å; S240-W243 PolarHBondContact OG-N 2.63Å; S240-L246 PolarHBondContact N-O 3.07Å
241	L	94.6	Very high	93.1	Very high	49 Å²	49	30.8 Å²	30.8	26%	0.257	17%	0.167	S	C	.	.	S	Bend	trans	-93.5	-14.3	171.9	-58.5	-177.9	0	0	0	112.3	G223 S224 F244 N268 L271 L275	G223-L241 WeakPolarHBondContact O-CD1 3.45Å; S224-L241 PolarHBondContact O-N 3.28Å; L241-F244 HydrophobicContact CB-CE1 4.37Å; L241-F244 HydrophobicContact CD2-CE1 4.15Å; L241-F244 WeakPolarHBondContact O-CE1 3.27Å; L241-N268 PolarHBondContact O-ND2 3.35Å; L241-L271 HydrophobicContact CB-CD1 3.74Å; L241-L271 HydrophobicContact CB-CD2 4.01Å; L241-L275 HydrophobicContact CD1-CD2 4.49Å
242	L	94.1	Very high	93.7	Very high	23 Å²	23	28.9 Å²	28.9	12%	0.12	15%	0.154	C	C	.	.	S	Bend	trans	-80.4	-41	170.1	-77.4	173.3	0	0	0	111.6	S240 N268 L271	S240-L242 PolarHBondContact OG-N 3.19Å; L242-N268 WeakPolarHBondContact O-CB 3.39Å; L242-N268 PolarHBondContact O-N 2.87Å; L242-L271 HydrophobicContact CB-CD2 4.44Å; L242-L271 HydrophobicContact CD2-CB 4.06Å; L242-L271 HydrophobicContact CD2-CD2 3.49Å; L242-L271 VanDerWaalsContact CD2-CD2 3.49Å; L242-L271 HydrophobicContact CD2-CG 4.42Å; L242-L271 HydrophobicContact CG-CD2 3.55Å
243	W	94.9	Very high	94.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.015	15%	0.149	C	C	.	.	S	Bend	trans	-118.7	86.8	178.6	-68	92.9	0	0	0	110.4	Q145 I146 E149 V150 S240 G245 L246 Y261 G265 K267	Q145-W243 HydrophobicContact CG-CH2 4.16Å; Q145-W243 HydrophobicContact CG-CZ2 3.88Å; I146-W243 HydrophobicContact CD1-CE3 3.9Å; I146-W243 HydrophobicContact CD1-CH2 4.46Å; I146-W243 HydrophobicContact CD1-CZ3 3.75Å; I146-W243 HydrophobicContact CG1-CD2 3.86Å; I146-W243 HydrophobicContact CG1-CE3 3.45Å; I146-W243 VanDerWaalsContact CG1-CE3 3.45Å; I146-W243 HydrophobicContact CG1-CH2 3.65Å; I146-W243 HydrophobicContact CG1-CZ2 4.09Å; I146-W243 HydrophobicContact CG1-CZ3 3.32Å; E149-W243 PolarHBondContact OE2-NE1 2.99Å; V150-W243 HydrophobicContact CG1-CB 3.98Å; V150-W243 VanDerWaalsContact CG1-CD1 3.41Å; V150-W243 HydrophobicContact CG1-CG 3.96Å; V150-W243 HydrophobicContact CG2-CB 4.23Å; V150-W243 HydrophobicContact CG2-CG 4.28Å; S240-W243 PolarHBondContact OG-N 2.63Å; W243-G245 PolarHBondContact O-N 2.81Å; W243-G245 VanDerWaalsContact O-N 3.09Å; W243-L246 PolarHBondContact O-N 3.37Å; W243-Y261 HydrophobicContact CB-CE2 4.23Å; W243-G265 WeakPolarHBondContact CZ3-O 3.3Å; W243-K267 HydrophobicContact CD2-CB 4.21Å; W243-K267 HydrophobicContact CD2-CG 4.33Å; W243-K267 HydrophobicContact CE3-CB 4.13Å; W243-K267 HydrophobicContact CH2-CB 3.75Å; W243-K267 HydrophobicContact CH2-CG 4.46Å; W243-K267 HydrophobicContact CZ2-CB 3.77Å; W243-K267 HydrophobicContact CZ2-CD 3.77Å; W243-K267 HydrophobicContact CZ2-CG 3.96Å; W243-K267 HydrophobicContact CZ3-CB 3.91Å
244	F	92.3	Very high	94.7	Very high	82 Å²	82	28.9 Å²	28.9	36%	0.36	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	117.3	179.9	-66.8	-44.1	0	0	0	111.4	R18 L241 Y261 N268	R18-F244 PolarHBondContact NH1-O 3.49Å; L241-F244 HydrophobicContact CB-CE1 4.37Å; L241-F244 HydrophobicContact CD2-CE1 4.15Å; L241-F244 WeakPolarHBondContact O-CE1 3.27Å; F244-Y261 PolarHBondContact O-OH 2.68Å; F244-N268 HydrophobicContact CD2-CB 4.23Å; F244-N268 HydrophobicContact CE2-CB 3.84Å; F244-N268 WeakPolarHBondContact CE2-ND2 3.34Å; F244-N268 HydrophobicContact CZ-CB 4.31Å; F244-N268 WeakPolarHBondContact CZ-ND2 3.05Å
245	G	92.6	Very high	95	Very high	9 Å²	9	23.7 Å²	23.7	9%	0.093	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.4	-18.4	-177.6	0	0	0	0	0	113.9	W243 T247 Y261 I262	W243-G245 PolarHBondContact O-N 2.81Å; W243-G245 VanDerWaalsContact O-N 3.09Å; G245-T247 PolarHBondContact O-N 3.49Å; G245-Y261 WeakPolarHBondContact O-CA 3.3Å; G245-I262 WeakPolarHBondContact CA-O 3.25Å; G245-I262 PolarHBondContact O-N 3.21Å
246	L	94.9	Very high	95	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.6	168.7	-170.3	102.1	0	0	0	110.3	V150 V152 W225 S240 W243 Y259 I260 Y261	V150-L246 HydrophobicContact CB-CB 4.49Å; V150-L246 HydrophobicContact CB-CD1 3.9Å; V150-L246 HydrophobicContact CB-CD2 3.84Å; V150-L246 HydrophobicContact CB-CG 4.24Å; V150-L246 HydrophobicContact CG2-CB 4.37Å; V150-L246 HydrophobicContact CG2-CD1 3.66Å; V150-L246 HydrophobicContact CG2-CD2 4.47Å; V150-L246 HydrophobicContact CG2-CG 4.33Å; V150-L246 WeakPolarHBondContact O-CD1 3.08Å; V150-L246 WeakPolarHBondContact O-CD2 3.04Å; V152-L246 HydrophobicContact CG2-CD2 4.42Å; W225-L246 HydrophobicContact CH2-CD2 3.47Å; W225-L246 VanDerWaalsContact CH2-CD2 3.47Å; W225-L246 HydrophobicContact CZ3-CD2 3.44Å; W225-L246 VanDerWaalsContact CZ3-CD2 3.44Å; S240-L246 PolarHBondContact N-O 3.07Å; W243-L246 PolarHBondContact O-N 3.37Å; L246-Y259 HydrophobicContact CD1-CD2 3.66Å; L246-Y259 HydrophobicContact CD1-CE2 4.33Å; L246-Y259 HydrophobicContact CD1-CG 4.22Å; L246-I260 WeakPolarHBondContact CA-O 3.26Å; L246-Y261 HydrophobicContact CB-CD2 4.06Å
247	T	95.3	Very high	95.1	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.4	167.6	-54.7	0	0	0	0	108.8	I13 V237 G245 Y259 I260	I13-T247 HydrophobicContact CB-CG2 4.18Å; I13-T247 HydrophobicContact CG2-CG2 3.87Å; V237-T247 HydrophobicContact CG1-CG2 3.7Å; G245-T247 PolarHBondContact O-N 3.49Å; T247-Y259 VanDerWaalsContact O-CA 3.29Å; T247-Y259 WeakPolarHBondContact O-CA 3.49Å; T247-I260 PolarHBondContact N-O 2.72Å; T247-I260 PolarHBondContact O-N 2.78Å
248	F	96.1	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.9	171.3	166.5	-81.9	0	0	0	109.7	V152 P154 F186 V237 L238 H250 H257 G258	V152-F248 HydrophobicContact CB-CB 4.41Å; V152-F248 HydrophobicContact CB-CD2 3.79Å; V152-F248 HydrophobicContact CB-CE2 4.3Å; V152-F248 HydrophobicContact CB-CG 4.14Å; V152-F248 HydrophobicContact CG1-CD1 4.38Å; V152-F248 HydrophobicContact CG1-CD2 3.87Å; V152-F248 HydrophobicContact CG1-CE2 4.02Å; V152-F248 HydrophobicContact CG1-CG 4.06Å; V152-F248 HydrophobicContact CG1-CZ 4.35Å; V152-F248 WeakPolarHBondContact O-CE2 3.47Å; P154-F248 HydrophobicContact CG-CZ 4.5Å; F186-F248 AromaticContact CD1-CE1 3.79Å; F186-F248 HydrophobicContact CD1-CE1 3.79Å; F186-F248 HydrophobicContact CD1-CZ 4.04Å; F186-F248 AromaticContact CE1-CE1 3.53Å; F186-F248 HydrophobicContact CE1-CE1 3.53Å; F186-F248 HydrophobicContact CE1-CZ 4Å; V237-F248 CarbonylContact C-O 3.55Å; V237-F248 VanDerWaalsContact CA-O 3.29Å; V237-F248 WeakPolarHBondContact CA-O 3.28Å; L238-F248 HydrophobicContact CB-CB 4.08Å; L238-F248 HydrophobicContact CB-CD1 3.92Å; L238-F248 HydrophobicContact CB-CG 4.42Å; L238-F248 HydrophobicContact CD1-CD1 3.69Å; L238-F248 HydrophobicContact CD1-CE1 4.03Å; L238-F248 HydrophobicContact CD1-CG 4.45Å; L238-F248 HydrophobicContact CG-CD1 3.99Å; L238-F248 PolarHBondContact N-O 3.16Å; L238-F248 PolarHBondContact O-N 3.18Å; F248-H250 HydrophobicContact CE1-CB 3.74Å; F248-H250 HydrophobicContact CZ-CB 3.94Å; F248-H257 HydrophobicContact CE2-CB 4.12Å; F248-H257 HydrophobicContact CZ-CB 3.98Å; F248-G258 CarbonylContact C-O 3.57Å; F248-G258 WeakPolarHBondContact CA-O 2.95Å; F248-G258 WeakPolarHBondContact CD2-O 2.82Å
249	Y	95.4	Very high	95	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.7	172.1	77.3	-81.7	0	0	0	110.9	M1 S9 F12 I13 C236 V251 H257 G258	M1-Y249 HydrophobicContact CE-CD1 3.68Å; M1-Y249 HydrophobicContact CE-CE1 3.52Å; M1-Y249 HydrophobicContact CG-CE1 4.24Å; M1-Y249 HydrophobicContact SD-CE1 4.07Å; S9-Y249 WeakPolarHBondContact CB-OH 2.87Å; S9-Y249 PolarHBondContact OG-OH 2.93Å; F12-Y249 HydrophobicContact CB-CD2 3.92Å; F12-Y249 HydrophobicContact CB-CE2 4.48Å; F12-Y249 HydrophobicContact CB-CG 4.05Å; F12-Y249 AromaticContact CD2-CD2 3.77Å; F12-Y249 HydrophobicContact CD2-CD2 3.77Å; F12-Y249 AromaticContact CD2-CE2 3.59Å; F12-Y249 HydrophobicContact CD2-CE2 3.59Å; F12-Y249 HydrophobicContact CE2-CE2 4.23Å; F12-Y249 HydrophobicContact CG-CD2 4.12Å; F12-Y249 HydrophobicContact CG-CE2 4.39Å; I13-Y249 HydrophobicContact CG2-CD1 3.87Å; I13-Y249 HydrophobicContact CG2-CG 4.3Å; C236-Y249 CarbonylContact O-C 3.52Å; C236-Y249 VanDerWaalsContact O-CA 3.28Å; C236-Y249 WeakPolarHBondContact O-CA 3.32Å; Y249-V251 HydrophobicContact CD2-CG2 4.46Å; Y249-H257 WeakPolarHBondContact O-CA 3.13Å; Y249-H257 PolarHBondContact OH-O 3.38Å; Y249-G258 WeakPolarHBondContact CD1-O 3.4Å; Y249-G258 WeakPolarHBondContact CE1-O 3.42Å; Y249-G258 PolarHBondContact N-O 3.15Å; Y249-G258 PolarHBondContact O-N 2.98Å
250	H	96.6	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	135.5	167	178.1	48.7	0	0	0	109.7	L175 F186 C236 F248 P252 T254 Q256 H257	L175-H250 WeakPolarHBondContact CB-NE2 3.49Å; L175-H250 PolarHBondContact N-NE2 2.9Å; F186-H250 HydrophobicContact CE1-CB 4.4Å; C236-H250 PolarHBondContact N-O 2.94Å; C236-H250 PolarHBondContact O-N 3.13Å; F248-H250 HydrophobicContact CE1-CB 3.74Å; F248-H250 HydrophobicContact CZ-CB 3.94Å; H250-P252 WeakPolarHBondContact O-CD 3.3Å; H250-T254 PolarHBondContact CE1-O 2.81Å; H250-Q256 WeakPolarHBondContact CA-O 3.32Å; H250-Q256 PolarHBondContact ND1-O 3.11Å; H250-H257 HydrophobicContact CB-CB 4.25Å
251	V	95.8	Very high	95	Very high	22 Å²	22	27 Å²	27	13%	0.133	15%	0.147	C	C	.	.			trans	-97.1	109.1	173.5	-178.1	0	0	0	0	107.7	F12 V235 Y249 T254 Q256	F12-V251 HydrophobicContact CD1-CG2 4.46Å; F12-V251 HydrophobicContact CD2-CG2 4.27Å; F12-V251 HydrophobicContact CE1-CG2 4.08Å; F12-V251 HydrophobicContact CE2-CG2 3.88Å; F12-V251 HydrophobicContact CZ-CG2 3.77Å; V235-V251 HydrophobicContact CG2-CG2 4.4Å; Y249-V251 HydrophobicContact CD2-CG2 4.46Å; V251-T254 WeakPolarHBondContact CB-OG1 3.15Å; V251-T254 HydrophobicContact CG1-CG2 3.98Å; V251-T254 PolarHBondContact O-N 3.28Å; V251-T254 PolarHBondContact O-OG1 3.24Å; V251-Q256 HydrophobicContact CB-CB 4.22Å; V251-Q256 HydrophobicContact CG2-CB 4.21Å; V251-Q256 PolarHBondContact N-O 3.41Å
252	P	96	Very high	95.1	Very high	17 Å²	17	25.3 Å²	25.3	11%	0.11	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	149.1	-176.5	-24.7	35.3	0	0	0	112.9	L175 A180 F229 R234 H250 T254	L175-P252 CarbonylContact O-C 3.12Å; L175-P252 VanDerWaalsContact O-CA 3.25Å; L175-P252 WeakPolarHBondContact O-CA 3.01Å; L175-P252 WeakPolarHBondContact O-CB 3.48Å; A180-P252 HydrophobicContact CB-CG 4.18Å; F229-P252 HydrophobicContact CE1-CG 4.08Å; R234-P252 WeakPolarHBondContact O-CD 3.47Å; H250-P252 WeakPolarHBondContact O-CD 3.3Å; P252-T254 PolarHBondContact O-N 2.83Å
253	N	95.7	Very high	95.1	Very high	114 Å²	114	24.3 Å²	24.3	61%	0.61	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	22.3	-174.2	-46.4	-64.2	0	0	0	114	E173 L175 S176	E173-N253 CarbonylContact O-C 3.51Å; L175-N253 PolarHBondContact O-N 3.34Å; S176-N253 WeakPolarHBondContact CA-OD1 3.21Å
254	T	95.2	Very high	95.1	Very high	38 Å²	38	26.2 Å²	26.2	23%	0.233	14%	0.143	C	C	.	.	S	Bend	trans	-137	155.6	168.3	79.7	0	0	0	0	110.3	E173 G174 H250 V251 P252 Q256	E173-T254 CarbonylContact O-C 2.96Å; E173-T254 WeakPolarHBondContact O-CA 3.43Å; E173-T254 PolarHBondContact O-N 3.05Å; G174-T254 WeakPolarHBondContact CA-O 3.32Å; H250-T254 PolarHBondContact CE1-O 2.81Å; V251-T254 WeakPolarHBondContact CB-OG1 3.15Å; V251-T254 HydrophobicContact CG1-CG2 3.98Å; V251-T254 PolarHBondContact O-N 3.28Å; V251-T254 PolarHBondContact O-OG1 3.24Å; P252-T254 PolarHBondContact O-N 2.83Å; T254-Q256 PolarHBondContact O-N 2.98Å; T254-Q256 WeakPolarHBondContact OG1-CB 3.45Å; T254-Q256 PolarHBondContact OG1-N 2.87Å
255	P	94.9	Very high	95.1	Very high	77 Å²	77	22.6 Å²	22.6	50%	0.5	13%	0.129	S	C	.	.	S	Bend	trans	-68.2	-3.3	172.7	26.6	-34.3	0	0	0	113.7	F172 H257	F172-P255 HydrophobicContact CD1-CB 4.16Å; F172-P255 WeakPolarHBondContact O-CB 3.4Å; P255-H257 PolarHBondContact O-N 3.21Å; P255-H257 PolarHBondContact O-ND1 2.8Å
256	Q	94.8	Very high	95.1	Very high	66 Å²	66	25.1 Å²	25.1	31%	0.308	14%	0.14	S	C	.	.			trans	-72.2	119.1	-172.1	-58.3	-175.5	4.6	0	0	110.9	H250 V251 T254	H250-Q256 WeakPolarHBondContact CA-O 3.32Å; H250-Q256 PolarHBondContact ND1-O 3.11Å; V251-Q256 HydrophobicContact CB-CB 4.22Å; V251-Q256 HydrophobicContact CG2-CB 4.21Å; V251-Q256 PolarHBondContact N-O 3.41Å; T254-Q256 PolarHBondContact O-N 2.98Å; T254-Q256 WeakPolarHBondContact OG1-CB 3.45Å; T254-Q256 PolarHBondContact OG1-N 2.87Å
257	H	95.8	Very high	95	Very high	36 Å²	36	28.5 Å²	28.5	17%	0.167	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.3	174.8	63.3	-80.2	0	0	0	110.2	P154 F158 F248 Y249 H250 P255	P154-H257 WeakPolarHBondContact CD-CD2 3.48Å; P154-H257 HydrophobicContact CG-CB 4Å; F158-H257 AromaticContact CE2-NE2 3.94Å; F248-H257 HydrophobicContact CE2-CB 4.12Å; F248-H257 HydrophobicContact CZ-CB 3.98Å; Y249-H257 WeakPolarHBondContact O-CA 3.13Å; Y249-H257 PolarHBondContact OH-O 3.38Å; H250-H257 HydrophobicContact CB-CB 4.25Å; P255-H257 PolarHBondContact O-N 3.21Å; P255-H257 PolarHBondContact O-ND1 2.8Å
258	G	94.8	Very high	94.9	Very high	5 Å²	5	29 Å²	29	5%	0.052	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	169.1	171.1	0	0	0	0	0	111.3	F248 Y249	F248-G258 CarbonylContact C-O 3.57Å; F248-G258 WeakPolarHBondContact CA-O 2.95Å; F248-G258 WeakPolarHBondContact CD2-O 2.82Å; Y249-G258 WeakPolarHBondContact CD1-O 3.4Å; Y249-G258 WeakPolarHBondContact CE1-O 3.42Å; Y249-G258 PolarHBondContact N-O 3.15Å; Y249-G258 PolarHBondContact O-N 2.98Å
259	Y	94.9	Very high	94.7	Very high	12 Å²	12	38 Å²	38	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.7	171.2	66.9	-88.2	0	0	0	110.9	M1 D147 S151 L246 T247	M1-Y259 WeakPolarHBondContact CG-O 3.48Å; M1-Y259 PolarHBondContact N-O 2.85Å; D147-Y259 PolarHBondContact OD1-OH 3.29Å; S151-Y259 WeakPolarHBondContact OG-CE1 3.08Å; S151-Y259 VanDerWaalsContact OG-CZ 3.28Å; S151-Y259 PolarHBondContact OG-OH 3.02Å; L246-Y259 HydrophobicContact CD1-CD2 3.66Å; L246-Y259 HydrophobicContact CD1-CE2 4.33Å; L246-Y259 HydrophobicContact CD1-CG 4.22Å; T247-Y259 VanDerWaalsContact O-CA 3.29Å; T247-Y259 WeakPolarHBondContact O-CA 3.49Å
260	I	95.1	Very high	94.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.7	164	-165.5	168.1	0	0	0	108.2	M1 L10 I13 F46 L246 T247 I262	M1-I260 HydrophobicContact CE-CB 4.05Å; M1-I260 HydrophobicContact CE-CG2 4.19Å; L10-I260 HydrophobicContact CD2-CD1 3.98Å; I13-I260 HydrophobicContact CD1-CB 4.2Å; I13-I260 HydrophobicContact CD1-CD1 4.33Å; I13-I260 HydrophobicContact CD1-CG2 3.32Å; F46-I260 HydrophobicContact CD1-CD1 3.81Å; F46-I260 HydrophobicContact CD1-CG1 4.32Å; F46-I260 HydrophobicContact CE1-CD1 3.54Å; F46-I260 HydrophobicContact CE1-CG1 4.2Å; L246-I260 WeakPolarHBondContact CA-O 3.26Å; T247-I260 PolarHBondContact N-O 2.72Å; T247-I260 PolarHBondContact O-N 2.78Å; I260-I262 HydrophobicContact CD1-CD1 3.76Å; I260-I262 HydrophobicContact CD1-CG1 3.85Å; I260-I262 HydrophobicContact CG1-CD1 4.38Å; I260-I262 HydrophobicContact CG1-CG1 3.95Å
261	Y	95.8	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.2	162.8	-177.2	-91.3	0	0	0	109.7	W47 G48 K49 L50 I146 W243 F244 G245 L246 G265	W47-Y261 AromaticContact CH2-CD1 3.52Å; W47-Y261 HydrophobicContact CH2-CD1 3.52Å; W47-Y261 HydrophobicContact CH2-CE1 4.31Å; W47-Y261 AromaticContact CH2-CG 3.74Å; W47-Y261 HydrophobicContact CH2-CG 3.74Å; W47-Y261 HydrophobicContact CZ2-CG 4.41Å; W47-Y261 AromaticContact CZ3-CD1 3.57Å; W47-Y261 HydrophobicContact CZ3-CD1 3.57Å; W47-Y261 AromaticContact CZ3-CG 4Å; W47-Y261 HydrophobicContact CZ3-CG 4Å; W47-Y261 PolarHBondContact O-N 2.92Å; G48-Y261 CarbonylContact C-O 3.39Å; G48-Y261 WeakPolarHBondContact CA-O 3.27Å; K49-Y261 PolarHBondContact N-O 3.26Å; L50-Y261 HydrophobicContact CD2-CD1 4.24Å; L50-Y261 HydrophobicContact CD2-CE1 3.63Å; L50-Y261 HydrophobicContact CG-CE1 4.4Å; I146-Y261 HydrophobicContact CD1-CD1 4.49Å; I146-Y261 HydrophobicContact CD1-CE1 4.07Å; I146-Y261 HydrophobicContact CD1-CE2 4.3Å; I146-Y261 HydrophobicContact CG2-CD2 3.94Å; I146-Y261 HydrophobicContact CG2-CE2 4.32Å; I146-Y261 HydrophobicContact CG2-CG 4.25Å; W243-Y261 HydrophobicContact CB-CE2 4.23Å; F244-Y261 PolarHBondContact O-OH 2.68Å; G245-Y261 WeakPolarHBondContact O-CA 3.3Å; L246-Y261 HydrophobicContact CB-CD2 4.06Å; Y261-G265 VanDerWaalsContact OH-CA 3.31Å; Y261-G265 WeakPolarHBondContact OH-CA 3.13Å; Y261-G265 PolarHBondContact OH-N 2.75Å
262	I	95.7	Very high	94	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107	168.4	-59	179.6	0	0	0	107.1	R18 L20 K49 G245 I260	R18-I262 HydrophobicContact CB-CB 4.02Å; R18-I262 HydrophobicContact CB-CD1 3.98Å; R18-I262 HydrophobicContact CB-CG2 4.06Å; R18-I262 WeakPolarHBondContact CD-O 3.32Å; R18-I262 PolarHBondContact NH1-O 3.44Å; R18-I262 WeakPolarHBondContact O-CD1 3.42Å; L20-I262 HydrophobicContact CD2-CD1 4.46Å; K49-I262 HydrophobicContact CB-CG1 4.25Å; K49-I262 HydrophobicContact CB-CG2 4.32Å; K49-I262 HydrophobicContact CD-CG2 4.48Å; K49-I262 VanDerWaalsContact O-CA 3.31Å; K49-I262 WeakPolarHBondContact O-CA 3.44Å; G245-I262 WeakPolarHBondContact CA-O 3.25Å; G245-I262 PolarHBondContact O-N 3.21Å; I260-I262 HydrophobicContact CD1-CD1 3.76Å; I260-I262 HydrophobicContact CD1-CG1 3.85Å; I260-I262 HydrophobicContact CG1-CD1 4.38Å; I260-I262 HydrophobicContact CG1-CG1 3.95Å
263	G	94.8	Very high	93.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-175.5	-173.8	0	0	0	0	0	113.9	K49 L50 L51	K49-G263 PolarHBondContact O-N 3.27Å; K49-G263 VanDerWaalsContact O-N 3.1Å; L50-G263 CarbonylContact C-O 3.49Å; L50-G263 WeakPolarHBondContact CA-O 3.37Å; L51-G263 PolarHBondContact N-O 2.89Å
264	N	93.9	Very high	93.5	Very high	44 Å²	44	53.5 Å²	53.5	24%	0.235	27%	0.266	C	S	.	.			trans	-89.3	1.5	-177.1	60.8	-0.7	0	0	0	114.1	L266	N264-L266 VanDerWaalsContact C-N 3.29Å; N264-L266 PolarHBondContact O-N 3.22Å; N264-L266 PolarHBondContact OD1-N 3.33Å
265	G	93.1	Very high	92.9	Very high	7 Å²	7	57.9 Å²	57.9	7%	0.072	29%	0.287	C	S	.	.	S	Bend	trans	71.8	20.9	-179.3	0	0	0	0	0	114	W243 Y261	W243-G265 WeakPolarHBondContact CZ3-O 3.3Å; Y261-G265 VanDerWaalsContact OH-CA 3.31Å; Y261-G265 WeakPolarHBondContact OH-CA 3.13Å; Y261-G265 PolarHBondContact OH-N 2.75Å
266	L	92.8	Very high	92.8	Very high	62 Å²	62	57 Å²	57	33%	0.325	28%	0.276	S	S	.	.			trans	-100.9	130.5	177.1	-63.2	-178.2	0	0	0	111.4	G102 N264	G102-L266 WeakPolarHBondContact O-CD2 3.37Å; N264-L266 VanDerWaalsContact C-N 3.29Å; N264-L266 PolarHBondContact O-N 3.22Å; N264-L266 PolarHBondContact OD1-N 3.33Å
267	K	92.5	Very high	92.7	Very high	74 Å²	74	56.5 Å²	56.5	32%	0.322	28%	0.275	S	S	.	.			trans	-79.3	130.5	173	-170.7	172.7	-178.9	168.9	0	110.5	E149 W243 R269	E149-K267 IonicContact OE1-NZ 3.2Å; E149-K267 PolarHBondContact OE1-NZ 3.15Å; E149-K267 WeakPolarHBondContact OE2-CE 3.42Å; E149-K267 IonicContact OE2-NZ 3.46Å; E149-K267 PolarHBondContact OE2-NZ 2.73Å; W243-K267 HydrophobicContact CD2-CB 4.21Å; W243-K267 HydrophobicContact CD2-CG 4.33Å; W243-K267 HydrophobicContact CE3-CB 4.13Å; W243-K267 HydrophobicContact CH2-CB 3.75Å; W243-K267 HydrophobicContact CH2-CG 4.46Å; W243-K267 HydrophobicContact CZ2-CB 3.77Å; W243-K267 HydrophobicContact CZ2-CD 3.77Å; W243-K267 HydrophobicContact CZ2-CG 3.96Å; W243-K267 HydrophobicContact CZ3-CB 3.91Å; K267-R269 PolarHBondContact O-N 3.06Å; K267-R269 VanDerWaalsContact O-N 3.08Å
268	N	93.6	Very high	92.5	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.091	28%	0.281	C	S	.	.			trans	-75.7	92.3	172.7	-176.9	13.5	0	0	0	110.2	L241 L242 F244 D270 L271	L241-N268 PolarHBondContact O-ND2 3.35Å; L242-N268 WeakPolarHBondContact O-CB 3.39Å; L242-N268 PolarHBondContact O-N 2.87Å; F244-N268 HydrophobicContact CD2-CB 4.23Å; F244-N268 HydrophobicContact CE2-CB 3.84Å; F244-N268 WeakPolarHBondContact CE2-ND2 3.34Å; F244-N268 HydrophobicContact CZ-CB 4.31Å; F244-N268 WeakPolarHBondContact CZ-ND2 3.05Å; N268-D270 VanDerWaalsContact C-N 3.26Å; N268-D270 PolarHBondContact OD1-N 3.09Å; N268-L271 PolarHBondContact OD1-N 3.37Å
269	R	91	Very high	92.4	Very high	191 Å²	191	60.7 Å²	60.7	72%	0.721	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.3	177	-64.5	-174.9	178.6	-171.9	-1.3	112.9	K267 L271 P272	K267-R269 PolarHBondContact O-N 3.06Å; K267-R269 VanDerWaalsContact O-N 3.08Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-P272 WeakPolarHBondContact O-CD 3.46Å
270	D	91.8	Very high	92.2	Very high	102 Å²	102	63.8 Å²	63.8	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.1	-177.1	-57.7	-42.1	0	0	0	112.7	N268 P272 F273 M274	N268-D270 VanDerWaalsContact C-N 3.26Å; N268-D270 PolarHBondContact OD1-N 3.09Å; D270-P272 VanDerWaalsContact C-N 3.31Å; D270-F273 WeakPolarHBondContact O-CB 2.85Å; D270-F273 PolarHBondContact O-N 2.7Å; D270-M274 WeakPolarHBondContact O-CG 3.41Å; D270-M274 PolarHBondContact O-N 3.04Å
271	L	91.1	Very high	92	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-49.1	-42.5	-179.5	-175.1	65.9	0	0	0	114.2	P221 L241 L242 N268 R269 F273 M274 L275	P221-L271 HydrophobicContact CG-CD2 3.85Å; P221-L271 HydrophobicContact CG-CG 4.08Å; L241-L271 HydrophobicContact CB-CD1 3.74Å; L241-L271 HydrophobicContact CB-CD2 4.01Å; L242-L271 HydrophobicContact CB-CD2 4.44Å; L242-L271 HydrophobicContact CD2-CB 4.06Å; L242-L271 HydrophobicContact CD2-CD2 3.49Å; L242-L271 VanDerWaalsContact CD2-CD2 3.49Å; L242-L271 HydrophobicContact CD2-CG 4.42Å; L242-L271 HydrophobicContact CG-CD2 3.55Å; N268-L271 PolarHBondContact OD1-N 3.37Å; R269-L271 VanDerWaalsContact C-N 3.32Å; L271-F273 PolarHBondContact O-N 3.3Å; L271-F273 VanDerWaalsContact O-N 3.1Å; L271-M274 PolarHBondContact O-N 3.1Å; L271-L275 HydrophobicContact CD1-CD1 4.11Å; L271-L275 HydrophobicContact CD1-CD2 4.18Å; L271-L275 HydrophobicContact CD1-CG 3.9Å; L271-L275 HydrophobicContact CD2-CD1 4.27Å; L271-L275 HydrophobicContact CG-CD1 3.8Å; L271-L275 HydrophobicContact CG-CG 4.1Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.07Å
272	P	91.1	Very high	91.8	Very high	73 Å²	73	72.7 Å²	72.7	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-22.1	177.2	-24.5	35.6	0	0	0	114.7	P221 R269 D270	P221-P272 HydrophobicContact CG-CG 4.16Å; R269-P272 WeakPolarHBondContact O-CD 3.46Å; D270-P272 VanDerWaalsContact C-N 3.31Å
273	F	91.1	Very high	91.5	Very high	178 Å²	178	77.3 Å²	77.3	78%	0.781	38%	0.375	S	S	*	.	H	α-helix	trans	-94.9	-7.8	177.3	-51.6	-72.5	0	0	0	113	D270 L271	D270-F273 WeakPolarHBondContact O-CB 2.85Å; D270-F273 PolarHBondContact O-N 2.7Å; L271-F273 PolarHBondContact O-N 3.3Å; L271-F273 VanDerWaalsContact O-N 3.1Å
274	M	89.6	Confident	91.2	Very high	122 Å²	122	83.7 Å²	83.7	60%	0.601	41%	0.406	S	S	*	.	H	α-helix	trans	-100.7	-14.6	-178.8	-63.1	176.8	70.2	0	0	113.4	D270 L271	D270-M274 WeakPolarHBondContact O-CG 3.41Å; D270-M274 PolarHBondContact O-N 3.04Å; L271-M274 PolarHBondContact O-N 3.1Å
275	L	82.8	Confident	90.9	Very high	130 Å²	130	87.3 Å²	87.3	68%	0.681	42%	0.421	S	S	*	.			trans	-90.7	0	-177	-70.3	171.7	0	0	0	112.8	P221 K222 L241 L271	P221-L275 HydrophobicContact CB-CD1 4.03Å; P221-L275 HydrophobicContact CG-CD1 3.87Å; K222-L275 WeakPolarHBondContact O-CD1 3.48Å; L241-L275 HydrophobicContact CD1-CD2 4.49Å; L271-L275 HydrophobicContact CD1-CD1 4.11Å; L271-L275 HydrophobicContact CD1-CD2 4.18Å; L271-L275 HydrophobicContact CD1-CG 3.9Å; L271-L275 HydrophobicContact CD2-CD1 4.27Å; L271-L275 HydrophobicContact CG-CD1 3.8Å; L271-L275 HydrophobicContact CG-CG 4.1Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.07Å

Retrieved 275 of 275 residues in 303.6 ms (Link to these results)

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