A0A2K5P8T1_CERAT Loading...

Chloride intracellular channel protein

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Reduced in a glutathione-dependent way and secreted into the extracellular matrix where it activates TGM2 and promotes blood vessel growth during tissue remodeling as occurs in tumorigenesis. Can reduce specific cysteines in TGM2 and regulate cofactor binding. Can insert into membranes and form outwardly rectifying chloride ion channels. May participate in cellular growth control.

AlphaFold DB , UniProt , Accession A0A2K5P8T1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene CLIC3, Length 236 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	43.3	Very low	81.8	Confident	237 Å²	237	79.7 Å²	79.7	100%	1.167	41%	0.413	S	S	*	.				0	131.4	0	-67.5	-178.7	-72.2	0	0	106.2	E3	M1-E3 PolarHBondContact O-N 2.92Å
2	A	51.7	Low	82.7	Confident	100 Å²	100	73.2 Å²	73.2	83%	0.826	38%	0.379	S	S	*	.			trans	-60.5	133.7	174.4	0	0	0	0	0	108	T4	A2-T4 PolarHBondContact O-N 3.42Å
3	E	64.3	Low	83.4	Confident	165 Å²	165	68.4 Å²	68.4	77%	0.771	36%	0.356	S	S	*	.			trans	-66.7	114.3	177.4	-165.4	171.2	-165.8	0	0	107.9	M1 K5	M1-E3 PolarHBondContact O-N 2.92Å; E3-K5 PolarHBondContact O-N 3.41Å
4	T	74.6	Confident	83.5	Confident	67 Å²	67	71.4 Å²	71.4	41%	0.411	37%	0.367	S	S	.	.			trans	-54.1	125.3	177.2	-60.5	0	0	0	0	109.3	A2 L6 Y67 D68	A2-T4 PolarHBondContact O-N 3.42Å; T4-L6 PolarHBondContact O-N 2.87Å; T4-Y67 HydrophobicContact CG2-CD2 4.05Å; T4-Y67 HydrophobicContact CG2-CE1 4.08Å; T4-Y67 HydrophobicContact CG2-CE2 3.38Å; T4-D68 WeakPolarHBondContact CA-OD1 3.31Å
5	K	89.5	Confident	83.5	Confident	148 Å²	148	71.8 Å²	71.8	64%	0.643	37%	0.37	S	S	*	.			trans	-92.3	100.9	-178.5	-69.8	-174.5	-177.2	178.9	0	109.7	E3 D68	E3-K5 PolarHBondContact O-N 3.41Å; K5-D68 PolarHBondContact N-OD1 3.44Å; K5-D68 PolarHBondContact O-N 3.2Å; K5-D68 VanDerWaalsContact O-N 3.12Å
6	L	95.7	Very high	83.4	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.9	174.1	-164.7	66.7	0	0	0	110.3	T4 L32 V37 F39 T40 L65 Y67 L82 L86	T4-L6 PolarHBondContact O-N 2.87Å; L6-L32 HydrophobicContact CD2-CD2 3.51Å; L6-L32 HydrophobicContact CG-CD2 4.42Å; L6-V37 HydrophobicContact CD2-CG1 3.55Å; L6-V37 HydrophobicContact CD2-CG2 4.29Å; L6-F39 HydrophobicContact CB-CB 3.92Å; L6-F39 HydrophobicContact CD2-CB 3.96Å; L6-F39 HydrophobicContact CG-CB 3.95Å; L6-F39 CarbonylContact O-C 3.12Å; L6-F39 VanDerWaalsContact O-CA 3.27Å; L6-F39 WeakPolarHBondContact O-CA 3.42Å; L6-F39 WeakPolarHBondContact O-CB 3.43Å; L6-T40 PolarHBondContact O-N 3.19Å; L6-L65 HydrophobicContact CD1-CD1 3.56Å; L6-L65 HydrophobicContact CD1-CD2 4.04Å; L6-L65 HydrophobicContact CD1-CG 4.03Å; L6-L65 HydrophobicContact CG-CD1 4.02Å; L6-Y67 HydrophobicContact CD1-CD2 3.67Å; L6-Y67 HydrophobicContact CD1-CE2 4.47Å; L6-L82 HydrophobicContact CD1-CD2 4.48Å; L6-L86 HydrophobicContact CD2-CD1 4.37Å
7	Q	96.4	Very high	83.3	Confident	58 Å²	58	74.2 Å²	74.2	27%	0.271	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.6	176.3	-48.1	-178.2	36.1	0	0	110.7	F9 T40 L65 L66	Q7-F9 HydrophobicContact CB-CE2 3.87Å; Q7-F9 HydrophobicContact CB-CZ 4.48Å; Q7-T40 CarbonylContact C-O 3.56Å; Q7-T40 VanDerWaalsContact CA-O 3.26Å; Q7-T40 WeakPolarHBondContact CA-O 3.12Å; Q7-L65 WeakPolarHBondContact O-CA 3.49Å; Q7-L65 WeakPolarHBondContact O-CD1 3.3Å; Q7-L66 HydrophobicContact CB-CB 4.27Å; Q7-L66 PolarHBondContact N-O 2.05Å; Q7-L66 PolarHBondContact O-N 2.7Å
8	L	97.2	Very high	83.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.9	175.5	-176.9	70	0	0	0	109.7	V10 L28 F29 L32 F39 T40 L41 T42 P63 L65	L8-V10 HydrophobicContact CD2-CG1 3.67Å; L8-V10 HydrophobicContact CG-CG1 3.77Å; L8-L28 HydrophobicContact CD1-CB 4.04Å; L8-L28 HydrophobicContact CD1-CD1 4.31Å; L8-L28 HydrophobicContact CD2-CB 4.38Å; L8-F29 HydrophobicContact CD2-CB 3.77Å; L8-F29 HydrophobicContact CD2-CG 4.3Å; L8-L32 HydrophobicContact CB-CD1 3.73Å; L8-L32 HydrophobicContact CD1-CD1 4.4Å; L8-L32 HydrophobicContact CD2-CD1 3.95Å; L8-L32 HydrophobicContact CG-CD1 4.23Å; L8-F39 HydrophobicContact CB-CD2 4.17Å; L8-F39 HydrophobicContact CB-CE2 4.32Å; L8-T40 PolarHBondContact N-O 3.18Å; L8-L41 HydrophobicContact CB-CD1 4.32Å; L8-L41 HydrophobicContact CD2-CD1 4.04Å; L8-L41 HydrophobicContact CG-CD1 4.36Å; L8-T42 PolarHBondContact O-N 2.85Å; L8-P63 HydrophobicContact CD1-CB 4.3Å; L8-L65 HydrophobicContact CD1-CD1 4.4Å
9	F	96.1	Very high	83.9	Confident	16 Å²	16	69.7 Å²	69.7	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.2	173.8	-64.3	-100.7	0	0	0	108.9	Q7 T42 V44 F56 L62 P63 I64 L66	Q7-F9 HydrophobicContact CB-CE2 3.87Å; Q7-F9 HydrophobicContact CB-CZ 4.48Å; F9-T42 CarbonylContact C-O 3.58Å; F9-T42 VanDerWaalsContact CA-O 3.31Å; F9-T42 WeakPolarHBondContact CA-O 3.44Å; F9-T42 HydrophobicContact CD1-CG2 3.74Å; F9-T42 HydrophobicContact CE1-CG2 3.7Å; F9-V44 HydrophobicContact CB-CG2 4.06Å; F9-V44 HydrophobicContact CD1-CG2 3.74Å; F9-V44 HydrophobicContact CG-CG2 4.4Å; F9-F56 HydrophobicContact CD1-CZ 4.06Å; F9-F56 HydrophobicContact CD2-CE2 4.35Å; F9-F56 HydrophobicContact CD2-CZ 4.47Å; F9-F56 AromaticContact CE1-CZ 3.82Å; F9-F56 HydrophobicContact CE1-CZ 3.82Å; F9-F56 HydrophobicContact CE2-CE2 4.33Å; F9-F56 HydrophobicContact CE2-CZ 4.3Å; F9-F56 HydrophobicContact CG-CZ 4.38Å; F9-F56 HydrophobicContact CZ-CE2 4.44Å; F9-F56 AromaticContact CZ-CZ 3.96Å; F9-F56 HydrophobicContact CZ-CZ 3.96Å; F9-L62 HydrophobicContact CB-CD2 3.9Å; F9-P63 VanDerWaalsContact O-CA 3.3Å; F9-P63 WeakPolarHBondContact O-CA 3.31Å; F9-I64 HydrophobicContact CB-CB 4.23Å; F9-I64 PolarHBondContact N-O 2.78Å; F9-I64 PolarHBondContact O-N 3.46Å; F9-I64 VanDerWaalsContact O-N 3.15Å; F9-L66 HydrophobicContact CD2-CD1 4.49Å; F9-L66 HydrophobicContact CD2-CG 4.25Å; F9-L66 HydrophobicContact CE2-CB 4.19Å; F9-L66 HydrophobicContact CE2-CD1 3.42Å; F9-L66 VanDerWaalsContact CE2-CD1 3.42Å; F9-L66 HydrophobicContact CE2-CG 3.55Å; F9-L66 HydrophobicContact CZ-CD1 3.71Å; F9-L66 HydrophobicContact CZ-CG 4.34Å
10	V	95.9	Very high	84.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	161.1	180	-59	0	0	0	0	110.7	L8 A12 C25 L41 T42 T43 V44	L8-V10 HydrophobicContact CD2-CG1 3.67Å; L8-V10 HydrophobicContact CG-CG1 3.77Å; V10-A12 PolarHBondContact O-N 3.28Å; V10-C25 HydrophobicContact CB-CB 3.85Å; V10-C25 HydrophobicContact CG1-CB 3.88Å; V10-L41 HydrophobicContact CB-CD1 4.39Å; V10-L41 HydrophobicContact CG1-CD1 3.73Å; V10-L41 HydrophobicContact CG2-CD1 3.75Å; V10-L41 HydrophobicContact CG2-CG 4.25Å; V10-T42 PolarHBondContact N-O 3.3Å; V10-T43 HydrophobicContact CG2-CG2 3.83Å; V10-T43 CarbonylContact O-C 3.58Å; V10-T43 WeakPolarHBondContact O-CA 3.49Å; V10-V44 PolarHBondContact O-N 3.37Å
11	K	94.6	Very high	84.8	Confident	80 Å²	80	64.4 Å²	64.4	35%	0.348	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.7	176	-177.7	171	177.5	174.9	0	110.6	G20 C22 L62	K11-G20 PolarHBondContact O-N 2.79Å; K11-C22 HydrophobicContact CB-CB 3.89Å; K11-C22 HydrophobicContact CD-CB 4.35Å; K11-L62 HydrophobicContact CB-CD1 4.11Å
12	A	93.3	Very high	87.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-76.4	150	170.1	0	0	0	0	0	111.7	V10 S18 V44 D45	V10-A12 PolarHBondContact O-N 3.28Å; A12-S18 CarbonylContact C-O 3.17Å; A12-S18 WeakPolarHBondContact CA-O 3.04Å; A12-V44 VanDerWaalsContact CB-C 3.48Å; A12-V44 PolarHBondContact N-O 3.25Å; A12-D45 HydrophobicContact CB-CB 4.1Å
13	S	91.6	Very high	89.4	Confident	11 Å²	11	50.8 Å²	50.8	8%	0.077	26%	0.259	C	S	.	.			trans	-67.5	174.9	167.3	170.4	0	0	0	0	110.9	D15 G16 S18 E224	S13-D15 VanDerWaalsContact CB-OD1 3.29Å; S13-D15 WeakPolarHBondContact CB-OD1 3.15Å; S13-D15 PolarHBondContact O-N 3.12Å; S13-D15 PolarHBondContact OG-OD1 3.39Å; S13-G16 PolarHBondContact O-N 2.98Å; S13-S18 WeakPolarHBondContact CB-O 3.39Å; S13-S18 PolarHBondContact N-O 3.15Å; S13-E224 PolarHBondContact OG-OE2 3.28Å
14	E	84.3	Confident	91	Very high	110 Å²	110	45.3 Å²	45.3	51%	0.514	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.5	175.9	-61.1	-159	140	0	0	114.9	G16 R47 R48	E14-G16 PolarHBondContact O-N 2.77Å; E14-R47 IonicContact OE1-NH1 3.09Å; E14-R47 PolarHBondContact OE1-NH1 3.43Å; E14-R48 PolarHBondContact O-NH2 2.68Å; E14-R48 VanDerWaalsContact O-NH2 3.14Å
15	D	84.4	Confident	92.1	Very high	78 Å²	78	42.1 Å²	42.1	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.3	171.1	59.2	19.6	0	0	0	112.7	S13 E17 S18	S13-D15 VanDerWaalsContact CB-OD1 3.29Å; S13-D15 WeakPolarHBondContact CB-OD1 3.15Å; S13-D15 PolarHBondContact O-N 3.12Å; S13-D15 PolarHBondContact OG-OD1 3.39Å; D15-E17 VanDerWaalsContact C-N 3.28Å; D15-E17 PolarHBondContact OD1-N 2.88Å; D15-S18 PolarHBondContact OD1-N 2.8Å; D15-S18 WeakPolarHBondContact OD2-CB 3.39Å; D15-S18 PolarHBondContact OD2-OG 3.47Å
16	G	81.1	Confident	92.5	Very high	24 Å²	24	35.4 Å²	35.4	25%	0.247	19%	0.191	C	C	.	.	S	Bend	trans	81.5	0.9	-177.1	0	0	0	0	0	114.3	S13 E14	S13-G16 PolarHBondContact O-N 2.98Å; E14-G16 PolarHBondContact O-N 2.77Å
17	E	81.4	Confident	92.6	Very high	161 Å²	161	36.5 Å²	36.5	75%	0.752	20%	0.195	S	C	*	.	S	Bend	trans	-120	-47.5	-175.3	-64.9	-171.5	167.5	0	0	111.9	D15 T43	D15-E17 VanDerWaalsContact C-N 3.28Å; D15-E17 PolarHBondContact OD1-N 2.88Å; E17-T43 VanDerWaalsContact O-CG2 3.3Å; E17-T43 WeakPolarHBondContact O-CG2 3.24Å; E17-T43 PolarHBondContact O-OG1 3.02Å
18	S	87.4	Confident	92.7	Very high	40 Å²	40	33.8 Å²	33.8	28%	0.28	18%	0.182	S	C	.	.	S	Bend	trans	-77.3	166.3	-174.9	-54.9	0	0	0	0	112.3	A12 S13 D15 G20	A12-S18 CarbonylContact C-O 3.17Å; A12-S18 WeakPolarHBondContact CA-O 3.04Å; S13-S18 WeakPolarHBondContact CB-O 3.39Å; S13-S18 PolarHBondContact N-O 3.15Å; D15-S18 PolarHBondContact OD1-N 2.8Å; D15-S18 WeakPolarHBondContact OD2-CB 3.39Å; D15-S18 PolarHBondContact OD2-OG 3.47Å; S18-G20 PolarHBondContact O-N 2.92Å
19	V	91.2	Very high	92.8	Very high	23 Å²	23	34.6 Å²	34.6	14%	0.139	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-67.3	124.1	174	180	0	0	0	0	110.1	F29 L41 P220	V19-F29 HydrophobicContact CG2-CE1 4.1Å; V19-L41 HydrophobicContact CG2-CD2 4.27Å; V19-P220 WeakPolarHBondContact O-CB 2.9Å
20	G	92.8	Very high	92.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-88.2	172.1	179.6	0	0	0	0	0	113.9	K11 S18 C22	K11-G20 PolarHBondContact O-N 2.79Å; S18-G20 PolarHBondContact O-N 2.92Å; G20-C22 PolarHBondContact O-N 2.72Å
21	H	93.8	Very high	93	Very high	27 Å²	27	33.9 Å²	33.9	13%	0.125	18%	0.182	C	C	.	.	S	Bend	trans	-67.9	104.2	177.8	172.1	-91.8	0	0	0	112.1	I182 E224 A228 Y229	H21-I182 VanDerWaalsContact NE2-CD1 3.32Å; H21-I182 WeakPolarHBondContact NE2-CD1 3.35Å; H21-E224 HydrophobicContact CB-CG 4.04Å; H21-E224 PolarHBondContact N-OE1 2.94Å; H21-A228 HydrophobicContact CB-CB 3.91Å; H21-Y229 AromaticContact CE1-CE2 3.71Å; H21-Y229 AromaticContact NE2-CE2 3.48Å; H21-Y229 WeakPolarHBondContact NE2-CE2 3.34Å
22	C	95.9	Very high	93.2	Very high	21 Å²	21	30.1 Å²	30.1	14%	0.142	17%	0.166	C	C	.	.			trans	-158	100.7	175.9	174	0	0	0	0	110.7	K11 G20 S24 C25 Q26	K11-C22 HydrophobicContact CB-CB 3.89Å; K11-C22 HydrophobicContact CD-CB 4.35Å; G20-C22 PolarHBondContact O-N 2.72Å; C22-S24 VanDerWaalsContact C-N 3.31Å; C22-S24 PolarHBondContact O-N 3.01Å; C22-C25 HydrophobicContact CB-CB 3.56Å; C22-C25 WeakPolarHBondContact CB-SG 3.44Å; C22-C25 WeakPolarHBondContact O-CB 3.41Å; C22-C25 PolarHBondContact O-N 3.37Å; C22-C25 VanDerWaalsContact O-N 3.11Å; C22-C25 WeakPolarHBondContact SG-CB 3.44Å; C22-C25 PolarHBondContact SG-N 3.27Å; C22-C25 CovalentContact SG-SG 2.05Å; C22-C25 PolarHBondContact SG-SG 2.85Å; C22-Q26 PolarHBondContact O-N 2.92Å
23	P	96.8	Very high	93.4	Very high	29 Å²	29	32.5 Å²	32.5	19%	0.188	18%	0.178	C	C	.	.	H	α-helix	trans	-58.1	-39.7	-177.6	-23.6	30.9	0	0	0	113.8	Q26 R27 P178 K179 I182	P23-Q26 PolarHBondContact O-N 3.29Å; P23-R27 WeakPolarHBondContact O-CB 3.4Å; P23-R27 PolarHBondContact O-N 3.39Å; P23-P178 HydrophobicContact CB-CB 4.18Å; P23-K179 HydrophobicContact CB-CG 4.27Å; P23-I182 HydrophobicContact CB-CD1 4.38Å; P23-I182 HydrophobicContact CG-CD1 3.56Å
24	S	97.3	Very high	93.8	Very high	50 Å²	50	33.5 Å²	33.5	35%	0.35	18%	0.183	S	C	.	.	H	α-helix	trans	-67.6	-36.5	178	-58.6	0	0	0	0	112.4	C22 R27 L28 T75	C22-S24 VanDerWaalsContact C-N 3.31Å; C22-S24 PolarHBondContact O-N 3.01Å; S24-R27 WeakPolarHBondContact O-CB 3.39Å; S24-R27 PolarHBondContact O-N 3.04Å; S24-L28 PolarHBondContact O-N 3.44Å; S24-T75 WeakPolarHBondContact CB-OG1 3.41Å
25	C	97.6	Very high	94.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-45	176.1	-52.3	0	0	0	0	110.7	V10 C22 R27 L28 F29 P63	V10-C25 HydrophobicContact CB-CB 3.85Å; V10-C25 HydrophobicContact CG1-CB 3.88Å; C22-C25 HydrophobicContact CB-CB 3.56Å; C22-C25 WeakPolarHBondContact CB-SG 3.44Å; C22-C25 WeakPolarHBondContact O-CB 3.41Å; C22-C25 PolarHBondContact O-N 3.37Å; C22-C25 VanDerWaalsContact O-N 3.11Å; C22-C25 WeakPolarHBondContact SG-CB 3.44Å; C22-C25 PolarHBondContact SG-N 3.27Å; C22-C25 CovalentContact SG-SG 2.05Å; C22-C25 PolarHBondContact SG-SG 2.85Å; C25-R27 VanDerWaalsContact C-N 3.34Å; C25-R27 PolarHBondContact O-N 3.24Å; C25-L28 PolarHBondContact O-N 3.29Å; C25-F29 WeakPolarHBondContact O-CB 3.46Å; C25-F29 PolarHBondContact O-N 2.94Å; C25-P63 HydrophobicContact CB-CB 4.3Å
26	Q	98.2	Very high	94.9	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-44	175	-174.4	175.9	2.9	0	0	111.4	C22 P23 L28 F29 M30 P178 F215 T218 C219	C22-Q26 PolarHBondContact O-N 2.92Å; P23-Q26 PolarHBondContact O-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.94Å; Q26-F29 PolarHBondContact O-N 3.2Å; Q26-M30 HydrophobicContact CG-CG 4.43Å; Q26-M30 HydrophobicContact CG-SD 4.32Å; Q26-M30 WeakPolarHBondContact O-CG 3.26Å; Q26-M30 PolarHBondContact O-N 2.9Å; Q26-P178 HydrophobicContact CB-CB 4.1Å; Q26-P178 HydrophobicContact CB-CG 4.05Å; Q26-P178 HydrophobicContact CG-CB 4.14Å; Q26-P178 HydrophobicContact CG-CG 3.82Å; Q26-F215 VanDerWaalsContact NE2-CE2 3.3Å; Q26-T218 WeakPolarHBondContact CG-O 3.39Å; Q26-T218 PolarHBondContact NE2-OG1 3.39Å; Q26-C219 PolarHBondContact NE2-SG 3.05Å
27	R	98.2	Very high	95.6	Very high	30 Å²	30	27.7 Å²	27.7	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-51.9	-55.1	176.2	173.6	-179.7	-176.4	179.8	1.8	112	P23 S24 C25 F29 M30 V31 E79 C174	P23-R27 WeakPolarHBondContact O-CB 3.4Å; P23-R27 PolarHBondContact O-N 3.39Å; S24-R27 WeakPolarHBondContact O-CB 3.39Å; S24-R27 PolarHBondContact O-N 3.04Å; C25-R27 VanDerWaalsContact C-N 3.34Å; C25-R27 PolarHBondContact O-N 3.24Å; R27-F29 VanDerWaalsContact C-N 3.33Å; R27-F29 PolarHBondContact O-N 2.69Å; R27-M30 WeakPolarHBondContact O-CB 3.47Å; R27-M30 PolarHBondContact O-N 3.11Å; R27-V31 WeakPolarHBondContact O-CG2 3.36Å; R27-V31 PolarHBondContact O-N 3.15Å; R27-E79 IonicContact CZ-OE1 3.6Å; R27-E79 IonicContact CZ-OE2 3.95Å; R27-E79 IonicContact NE-OE2 3.56Å; R27-E79 PolarHBondContact NE-OE2 3.06Å; R27-E79 IonicContact NH2-OE1 3.38Å; R27-E79 PolarHBondContact NH2-OE1 2.94Å; R27-E79 IonicContact NH2-OE2 3.84Å; R27-E79 PolarHBondContact NH2-OE2 2.92Å; R27-C174 WeakPolarHBondContact CA-O 3.27Å; R27-C174 VanDerWaalsContact CB-O 3.3Å; R27-C174 WeakPolarHBondContact CB-O 3.34Å; R27-C174 HydrophobicContact CG-CB 4.08Å; R27-C174 WeakPolarHBondContact CG-O 3.16Å
28	L	98.5	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.2	-32.5	-178.2	-65.8	-174.2	0	0	0	112.9	L8 S24 C25 Q26 V31 L32 P63 T75 I78 E79	L8-L28 HydrophobicContact CD1-CB 4.04Å; L8-L28 HydrophobicContact CD1-CD1 4.31Å; L8-L28 HydrophobicContact CD2-CB 4.38Å; S24-L28 PolarHBondContact O-N 3.44Å; C25-L28 PolarHBondContact O-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.94Å; L28-V31 PolarHBondContact O-N 3.36Å; L28-L32 PolarHBondContact O-N 3.36Å; L28-P63 HydrophobicContact CD1-CB 3.89Å; L28-P63 HydrophobicContact CD1-CG 3.37Å; L28-P63 HydrophobicContact CG-CG 4.07Å; L28-T75 HydrophobicContact CD1-CG2 4.37Å; L28-T75 HydrophobicContact CD2-CG2 4.17Å; L28-T75 HydrophobicContact CG-CG2 4.06Å; L28-I78 HydrophobicContact CD1-CB 3.84Å; L28-I78 HydrophobicContact CD1-CD1 3.69Å; L28-I78 HydrophobicContact CD1-CG1 4.39Å; L28-I78 HydrophobicContact CD1-CG2 3.61Å; L28-I78 HydrophobicContact CD2-CB 4.34Å; L28-I78 HydrophobicContact CD2-CG2 4.06Å; L28-I78 HydrophobicContact CG-CG2 4.45Å; L28-E79 HydrophobicContact CD2-CB 4.2Å
29	F	98.4	Very high	96.7	Very high	18 Å²	18	25 Å²	25	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-43.1	174.3	-168.2	-176.7	0	0	0	110.6	L8 V19 C25 Q26 R27 V31 L32 L33 F39 L41 T218	L8-F29 HydrophobicContact CD2-CB 3.77Å; L8-F29 HydrophobicContact CD2-CG 4.3Å; V19-F29 HydrophobicContact CG2-CE1 4.1Å; C25-F29 WeakPolarHBondContact O-CB 3.46Å; C25-F29 PolarHBondContact O-N 2.94Å; Q26-F29 PolarHBondContact O-N 3.2Å; R27-F29 VanDerWaalsContact C-N 3.33Å; R27-F29 PolarHBondContact O-N 2.69Å; F29-V31 PolarHBondContact O-N 3.1Å; F29-L32 PolarHBondContact O-N 2.91Å; F29-L33 HydrophobicContact CD2-CD1 4.08Å; F29-L33 HydrophobicContact CD2-CG 3.95Å; F29-L33 HydrophobicContact CE2-CD1 3.8Å; F29-L33 HydrophobicContact CE2-CD2 3.97Å; F29-L33 HydrophobicContact CE2-CG 3.81Å; F29-L33 HydrophobicContact CZ-CD1 4.46Å; F29-L33 WeakPolarHBondContact O-CG 3.25Å; F29-L33 PolarHBondContact O-N 2.98Å; F29-F39 HydrophobicContact CD2-CE2 4Å; F29-F39 AromaticContact CD2-CZ 3.58Å; F29-F39 HydrophobicContact CD2-CZ 3.58Å; F29-F39 HydrophobicContact CE2-CE2 4.05Å; F29-F39 AromaticContact CE2-CZ 3.54Å; F29-F39 HydrophobicContact CE2-CZ 3.54Å; F29-L41 HydrophobicContact CD1-CD1 4.1Å; F29-L41 HydrophobicContact CD1-CD2 4.14Å; F29-L41 HydrophobicContact CD2-CD1 4.44Å; F29-L41 HydrophobicContact CE1-CD1 4.19Å; F29-L41 HydrophobicContact CE1-CD2 3.42Å; F29-L41 VanDerWaalsContact CE1-CD2 3.42Å; F29-L41 HydrophobicContact CE1-CG 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.31Å; F29-L41 HydrophobicContact CG-CD1 4.26Å; F29-L41 HydrophobicContact CZ-CD1 4.42Å; F29-L41 HydrophobicContact CZ-CD2 3.54Å; F29-T218 HydrophobicContact CB-CG2 3.88Å; F29-T218 HydrophobicContact CD1-CG2 3.54Å; F29-T218 HydrophobicContact CD2-CG2 3.75Å; F29-T218 HydrophobicContact CE1-CG2 3.87Å; F29-T218 HydrophobicContact CE2-CG2 4.05Å; F29-T218 HydrophobicContact CG-CG2 3.45Å; F29-T218 VanDerWaalsContact CG-CG2 3.45Å; F29-T218 HydrophobicContact CZ-CG2 4.1Å
30	M	98.6	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-45.5	172.6	-68.5	176.1	68.3	0	0	112	Q26 R27 L32 L33 L34 C174 L177 P178 E214 F215 T218	Q26-M30 HydrophobicContact CG-CG 4.43Å; Q26-M30 HydrophobicContact CG-SD 4.32Å; Q26-M30 WeakPolarHBondContact O-CG 3.26Å; Q26-M30 PolarHBondContact O-N 2.9Å; R27-M30 WeakPolarHBondContact O-CB 3.47Å; R27-M30 PolarHBondContact O-N 3.11Å; M30-L32 PolarHBondContact O-N 3.19Å; M30-L33 PolarHBondContact O-N 2.93Å; M30-L34 WeakPolarHBondContact O-CB 3.43Å; M30-L34 VanDerWaalsContact O-CG 3.32Å; M30-L34 WeakPolarHBondContact O-CG 3.1Å; M30-L34 PolarHBondContact O-N 2.75Å; M30-C174 HydrophobicContact CB-CB 4.29Å; M30-L177 HydrophobicContact CE-CD1 3.99Å; M30-P178 HydrophobicContact SD-CG 4.03Å; M30-E214 WeakPolarHBondContact CG-O 3.5Å; M30-F215 HydrophobicContact CE-CB 4.14Å; M30-F215 HydrophobicContact CE-CD2 3.79Å; M30-F215 HydrophobicContact CE-CG 4.45Å; M30-F215 HydrophobicContact SD-CD2 3.77Å; M30-F215 HydrophobicContact SD-CE2 4.45Å; M30-T218 HydrophobicContact CG-CG2 4.09Å; M30-T218 VanDerWaalsContact CG-OG1 3.24Å; M30-T218 WeakPolarHBondContact CG-OG1 3.45Å
31	V	98.6	Very high	97	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-49.8	178.4	171.4	0	0	0	0	110.7	R27 L28 F29 L33 L34 K35 L82 L94 L171 C174	R27-V31 WeakPolarHBondContact O-CG2 3.36Å; R27-V31 PolarHBondContact O-N 3.15Å; L28-V31 PolarHBondContact O-N 3.36Å; F29-V31 PolarHBondContact O-N 3.1Å; V31-L33 PolarHBondContact O-N 2.56Å; V31-L34 PolarHBondContact O-N 3Å; V31-K35 HydrophobicContact CG1-CG 4.42Å; V31-K35 VanDerWaalsContact O-CG 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.08Å; V31-L82 HydrophobicContact CG1-CB 4.38Å; V31-L82 HydrophobicContact CG1-CD1 3.93Å; V31-L94 HydrophobicContact CG1-CD1 4.16Å; V31-L171 HydrophobicContact CG1-CD2 4.23Å; V31-L171 HydrophobicContact CG2-CD2 3.67Å; V31-C174 HydrophobicContact CG2-CB 3.96Å
32	L	98.3	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-39.9	179.6	-70	-179.9	0	0	0	113.2	L6 L8 L28 F29 M30 K35 G36 V37 F39 L65 L82	L6-L32 HydrophobicContact CD2-CD2 3.51Å; L6-L32 HydrophobicContact CG-CD2 4.42Å; L8-L32 HydrophobicContact CB-CD1 3.73Å; L8-L32 HydrophobicContact CD1-CD1 4.4Å; L8-L32 HydrophobicContact CD2-CD1 3.95Å; L8-L32 HydrophobicContact CG-CD1 4.23Å; L28-L32 PolarHBondContact O-N 3.36Å; F29-L32 PolarHBondContact O-N 2.91Å; M30-L32 PolarHBondContact O-N 3.19Å; L32-K35 PolarHBondContact O-N 2.98Å; L32-G36 PolarHBondContact O-N 3.47Å; L32-V37 HydrophobicContact CD2-CG1 4.12Å; L32-F39 HydrophobicContact CB-CD1 3.86Å; L32-F39 HydrophobicContact CB-CE1 3.59Å; L32-F39 HydrophobicContact CB-CE2 4.36Å; L32-F39 HydrophobicContact CB-CG 4.37Å; L32-F39 HydrophobicContact CB-CZ 3.85Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD1 4.23Å; L32-F39 HydrophobicContact CD1-CD2 3.71Å; L32-F39 HydrophobicContact CD1-CE1 4.42Å; L32-F39 HydrophobicContact CD1-CE2 3.91Å; L32-F39 HydrophobicContact CD1-CG 3.88Å; L32-F39 HydrophobicContact CD1-CZ 4.25Å; L32-L65 HydrophobicContact CD1-CD1 4.28Å; L32-L82 HydrophobicContact CD2-CD1 3.79Å; L32-L82 HydrophobicContact CD2-CD2 3.62Å; L32-L82 HydrophobicContact CD2-CG 4.37Å; L32-L82 HydrophobicContact CG-CD1 4.26Å
33	L	98	Very high	97	Very high	52 Å²	52	32.1 Å²	32.1	27%	0.272	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-41.1	175	-69	-179.8	0	0	0	111.9	F29 M30 V31 G36 F39 E214 T218	F29-L33 HydrophobicContact CD2-CD1 4.08Å; F29-L33 HydrophobicContact CD2-CG 3.95Å; F29-L33 HydrophobicContact CE2-CD1 3.8Å; F29-L33 HydrophobicContact CE2-CD2 3.97Å; F29-L33 HydrophobicContact CE2-CG 3.81Å; F29-L33 HydrophobicContact CZ-CD1 4.46Å; F29-L33 WeakPolarHBondContact O-CG 3.25Å; F29-L33 PolarHBondContact O-N 2.98Å; M30-L33 PolarHBondContact O-N 2.93Å; V31-L33 PolarHBondContact O-N 2.56Å; L33-G36 PolarHBondContact O-N 3.15Å; L33-G36 VanDerWaalsContact O-N 3.14Å; L33-F39 HydrophobicContact CD2-CE1 4.03Å; L33-F39 HydrophobicContact CD2-CZ 4.15Å; L33-F39 HydrophobicContact CG-CZ 4.49Å; L33-E214 HydrophobicContact CB-CB 4.22Å; L33-E214 HydrophobicContact CB-CG 3.84Å; L33-E214 HydrophobicContact CD1-CB 4.47Å; L33-T218 HydrophobicContact CD1-CG2 3.46Å; L33-T218 VanDerWaalsContact CD1-CG2 3.46Å
34	L	98.3	Very high	96.7	Very high	32 Å²	32	31 Å²	31	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-69	-32.2	177.5	-72.8	168.7	0	0	0	112.9	M30 V31 G36 P92 L94 L169 C174 E214	M30-L34 WeakPolarHBondContact O-CB 3.43Å; M30-L34 VanDerWaalsContact O-CG 3.32Å; M30-L34 WeakPolarHBondContact O-CG 3.1Å; M30-L34 PolarHBondContact O-N 2.75Å; V31-L34 PolarHBondContact O-N 3Å; L34-G36 PolarHBondContact O-N 2.9Å; L34-P92 WeakPolarHBondContact O-CG 3.29Å; L34-L94 HydrophobicContact CB-CD1 3.66Å; L34-L94 HydrophobicContact CB-CD2 3.9Å; L34-L94 HydrophobicContact CB-CG 4.46Å; L34-L94 HydrophobicContact CD1-CD1 4.33Å; L34-L169 HydrophobicContact CD1-CB 3.77Å; L34-L169 HydrophobicContact CD1-CD1 4.43Å; L34-L169 HydrophobicContact CD2-CB 3.87Å; L34-L169 HydrophobicContact CD2-CD1 4.05Å; L34-L169 HydrophobicContact CG-CB 4.5Å; L34-C174 WeakPolarHBondContact CD1-SG 3.21Å; L34-E214 HydrophobicContact CD2-CB 4.25Å; L34-E214 HydrophobicContact CD2-CG 3.77Å; L34-E214 HydrophobicContact CG-CB 4.28Å; L34-E214 HydrophobicContact CG-CG 4.02Å
35	K	97.6	Very high	96.3	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.022	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-26.6	170.9	-71.1	-62.3	-175.6	179.6	0	112.3	V31 L32 V37 E83 L86 F91 P92 L94	V31-K35 HydrophobicContact CG1-CG 4.42Å; V31-K35 VanDerWaalsContact O-CG 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.08Å; L32-K35 PolarHBondContact O-N 2.98Å; K35-V37 HydrophobicContact CB-CG1 4.18Å; K35-V37 PolarHBondContact O-N 2.83Å; K35-E83 IonicContact NZ-OE2 3.87Å; K35-E83 PolarHBondContact NZ-OE2 2.81Å; K35-L86 HydrophobicContact CB-CD1 4.33Å; K35-L86 HydrophobicContact CD-CB 3.95Å; K35-L86 WeakPolarHBondContact CD-O 3.41Å; K35-L86 WeakPolarHBondContact CE-O 3.03Å; K35-L86 HydrophobicContact CG-CB 4.35Å; K35-L86 HydrophobicContact CG-CD1 4.2Å; K35-L86 PolarHBondContact NZ-O 3.22Å; K35-F91 HydrophobicContact CD-CB 4.48Å; K35-F91 WeakPolarHBondContact O-CD1 3.49Å; K35-P92 PolarHBondContact NZ-O 2.86Å; K35-L94 HydrophobicContact CD-CD1 4.1Å; K35-L94 HydrophobicContact CD-CG 4.38Å; K35-L94 HydrophobicContact CG-CD1 4.19Å
36	G	95.9	Very high	95.5	Very high	62 Å²	62	32.4 Å²	32.4	64%	0.639	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	18.9	-178.9	0	0	0	0	0	113.4	L32 L33 L34	L32-G36 PolarHBondContact O-N 3.47Å; L33-G36 PolarHBondContact O-N 3.15Å; L33-G36 VanDerWaalsContact O-N 3.14Å; L34-G36 PolarHBondContact O-N 2.9Å
37	V	94.5	Very high	94.7	Very high	23 Å²	23	39 Å²	39	14%	0.139	22%	0.221	C	C	.	.			trans	-84	141.6	176.5	67.7	0	0	0	0	109.9	L6 L32 K35 F39 L86 F91	L6-V37 HydrophobicContact CD2-CG1 3.55Å; L6-V37 HydrophobicContact CD2-CG2 4.29Å; L32-V37 HydrophobicContact CD2-CG1 4.12Å; K35-V37 HydrophobicContact CB-CG1 4.18Å; K35-V37 PolarHBondContact O-N 2.83Å; V37-F39 WeakPolarHBondContact O-CD1 3.42Å; V37-L86 HydrophobicContact CB-CD1 4.27Å; V37-L86 HydrophobicContact CG1-CD1 3.81Å; V37-L86 HydrophobicContact CG2-CD2 4.48Å; V37-F91 HydrophobicContact CB-CD1 4.48Å; V37-F91 HydrophobicContact CB-CE1 3.83Å; V37-F91 HydrophobicContact CB-CZ 4.4Å; V37-F91 HydrophobicContact CG2-CE1 4.01Å; V37-F91 HydrophobicContact CG2-CZ 4.1Å
38	P	95.2	Very high	93.9	Very high	97 Å²	97	45.7 Å²	45.7	63%	0.63	25%	0.246	S	C	*	.			trans	-63.5	135	167.8	-20.5	32.9	0	0	0	111.1
39	F	96.6	Very high	92.9	Very high	47 Å²	47	48.6 Å²	48.6	21%	0.206	27%	0.266	C	S	.	.			trans	-152.1	160	173.1	69.2	-80.4	0	0	0	111.1	L6 L8 F29 L32 L33 V37 L41	L6-F39 HydrophobicContact CB-CB 3.92Å; L6-F39 HydrophobicContact CD2-CB 3.96Å; L6-F39 HydrophobicContact CG-CB 3.95Å; L6-F39 CarbonylContact O-C 3.12Å; L6-F39 VanDerWaalsContact O-CA 3.27Å; L6-F39 WeakPolarHBondContact O-CA 3.42Å; L6-F39 WeakPolarHBondContact O-CB 3.43Å; L8-F39 HydrophobicContact CB-CD2 4.17Å; L8-F39 HydrophobicContact CB-CE2 4.32Å; F29-F39 HydrophobicContact CD2-CE2 4Å; F29-F39 AromaticContact CD2-CZ 3.58Å; F29-F39 HydrophobicContact CD2-CZ 3.58Å; F29-F39 HydrophobicContact CE2-CE2 4.05Å; F29-F39 AromaticContact CE2-CZ 3.54Å; F29-F39 HydrophobicContact CE2-CZ 3.54Å; L32-F39 HydrophobicContact CB-CD1 3.86Å; L32-F39 HydrophobicContact CB-CE1 3.59Å; L32-F39 HydrophobicContact CB-CE2 4.36Å; L32-F39 HydrophobicContact CB-CG 4.37Å; L32-F39 HydrophobicContact CB-CZ 3.85Å; L32-F39 HydrophobicContact CD1-CB 4.45Å; L32-F39 HydrophobicContact CD1-CD1 4.23Å; L32-F39 HydrophobicContact CD1-CD2 3.71Å; L32-F39 HydrophobicContact CD1-CE1 4.42Å; L32-F39 HydrophobicContact CD1-CE2 3.91Å; L32-F39 HydrophobicContact CD1-CG 3.88Å; L32-F39 HydrophobicContact CD1-CZ 4.25Å; L33-F39 HydrophobicContact CD2-CE1 4.03Å; L33-F39 HydrophobicContact CD2-CZ 4.15Å; L33-F39 HydrophobicContact CG-CZ 4.49Å; V37-F39 WeakPolarHBondContact O-CD1 3.42Å; F39-L41 HydrophobicContact CE2-CB 4.15Å; F39-L41 HydrophobicContact CE2-CD1 4.34Å
40	T	96.3	Very high	91.8	Very high	78 Å²	78	52 Å²	52	48%	0.479	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.5	170.7	-52.2	0	0	0	0	109.8	L6 Q7 L8	L6-T40 PolarHBondContact O-N 3.19Å; Q7-T40 CarbonylContact C-O 3.56Å; Q7-T40 VanDerWaalsContact CA-O 3.26Å; Q7-T40 WeakPolarHBondContact CA-O 3.12Å; L8-T40 PolarHBondContact N-O 3.18Å
41	L	95.6	Very high	91.1	Very high	59 Å²	59	56 Å²	56	31%	0.309	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.1	169.8	-176	73.3	0	0	0	109.3	L8 V10 V19 F29 F39	L8-L41 HydrophobicContact CB-CD1 4.32Å; L8-L41 HydrophobicContact CD2-CD1 4.04Å; L8-L41 HydrophobicContact CG-CD1 4.36Å; V10-L41 HydrophobicContact CB-CD1 4.39Å; V10-L41 HydrophobicContact CG1-CD1 3.73Å; V10-L41 HydrophobicContact CG2-CD1 3.75Å; V10-L41 HydrophobicContact CG2-CG 4.25Å; V19-L41 HydrophobicContact CG2-CD2 4.27Å; F29-L41 HydrophobicContact CD1-CD1 4.1Å; F29-L41 HydrophobicContact CD1-CD2 4.14Å; F29-L41 HydrophobicContact CD2-CD1 4.44Å; F29-L41 HydrophobicContact CE1-CD1 4.19Å; F29-L41 HydrophobicContact CE1-CD2 3.42Å; F29-L41 VanDerWaalsContact CE1-CD2 3.42Å; F29-L41 HydrophobicContact CE1-CG 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.31Å; F29-L41 HydrophobicContact CG-CD1 4.26Å; F29-L41 HydrophobicContact CZ-CD1 4.42Å; F29-L41 HydrophobicContact CZ-CD2 3.54Å; F39-L41 HydrophobicContact CE2-CB 4.15Å; F39-L41 HydrophobicContact CE2-CD1 4.34Å
42	T	94.2	Very high	90.3	Very high	44 Å²	44	59.1 Å²	59.1	27%	0.27	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.2	174.4	-57.5	0	0	0	0	109.2	L8 F9 V10 V44	L8-T42 PolarHBondContact O-N 2.85Å; F9-T42 CarbonylContact C-O 3.58Å; F9-T42 VanDerWaalsContact CA-O 3.31Å; F9-T42 WeakPolarHBondContact CA-O 3.44Å; F9-T42 HydrophobicContact CD1-CG2 3.74Å; F9-T42 HydrophobicContact CE1-CG2 3.7Å; V10-T42 PolarHBondContact N-O 3.3Å; T42-V44 HydrophobicContact CG2-CG2 4.37Å
43	T	93.9	Very high	89.7	Confident	40 Å²	40	59.8 Å²	59.8	25%	0.245	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.7	171.6	54.1	0	0	0	0	109.7	V10 E17	V10-T43 HydrophobicContact CG2-CG2 3.83Å; V10-T43 CarbonylContact O-C 3.58Å; V10-T43 WeakPolarHBondContact O-CA 3.49Å; E17-T43 VanDerWaalsContact O-CG2 3.3Å; E17-T43 WeakPolarHBondContact O-CG2 3.24Å; E17-T43 PolarHBondContact O-OG1 3.02Å
44	V	92	Very high	89	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.6	-172.8	179.9	0	0	0	0	109.9	F9 V10 A12 T42 T46 V52 L53 L62	F9-V44 HydrophobicContact CB-CG2 4.06Å; F9-V44 HydrophobicContact CD1-CG2 3.74Å; F9-V44 HydrophobicContact CG-CG2 4.4Å; V10-V44 PolarHBondContact O-N 3.37Å; A12-V44 VanDerWaalsContact CB-C 3.48Å; A12-V44 PolarHBondContact N-O 3.25Å; T42-V44 HydrophobicContact CG2-CG2 4.37Å; V44-T46 HydrophobicContact CG1-CG2 3.83Å; V44-T46 PolarHBondContact O-N 3.34Å; V44-V52 HydrophobicContact CG1-CG1 3.36Å; V44-L53 HydrophobicContact CG1-CD2 4.44Å; V44-L62 HydrophobicContact CB-CD1 3.87Å; V44-L62 HydrophobicContact CB-CD2 4.37Å; V44-L62 HydrophobicContact CG1-CD1 4.16Å; V44-L62 HydrophobicContact CG2-CD2 4.37Å
45	D	88.8	Confident	88.4	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.102	38%	0.378	C	S	.	.			trans	-89	90.6	168.7	-170.9	-10.1	0	0	0	110.2	A12 R47 R48 S49	A12-D45 HydrophobicContact CB-CB 4.1Å; D45-R47 PolarHBondContact O-N 3.14Å; D45-R47 VanDerWaalsContact O-N 3.17Å; D45-R47 VanDerWaalsContact OD1-CB 3.31Å; D45-R47 WeakPolarHBondContact OD1-CB 3.48Å; D45-R47 PolarHBondContact OD1-N 3.4Å; D45-R47 IonicContact OD1-NE 2.84Å; D45-R48 HydrophobicContact CB-CB 4.4Å; D45-R48 PolarHBondContact O-N 2.9Å; D45-R48 PolarHBondContact OD1-N 3.23Å; D45-R48 WeakPolarHBondContact OD2-CD 3.47Å; D45-R48 WeakPolarHBondContact OD2-CG 3.1Å; D45-R48 IonicContact OD2-CZ 2.72Å; D45-R48 IonicContact OD2-NE 2.56Å; D45-R48 PolarHBondContact OD2-NE 2.82Å; D45-S49 PolarHBondContact O-N 2.69Å
46	T	80.7	Confident	87.8	Confident	63 Å²	63	71.5 Å²	71.5	39%	0.387	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12	178.8	56.6	0	0	0	0	113.8	V44 P50 L62	V44-T46 HydrophobicContact CG1-CG2 3.83Å; V44-T46 PolarHBondContact O-N 3.34Å; T46-P50 WeakPolarHBondContact O-CA 3.3Å; T46-L62 HydrophobicContact CG2-CD1 3.91Å
47	R	80	Confident	87.4	Confident	143 Å²	143	68.7 Å²	68.7	54%	0.54	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-43	176.3	-59.1	175.1	-69	-170.3	-6.9	111.4	E14 D45	E14-R47 IonicContact OE1-NH1 3.09Å; E14-R47 PolarHBondContact OE1-NH1 3.43Å; D45-R47 PolarHBondContact O-N 3.14Å; D45-R47 VanDerWaalsContact O-N 3.17Å; D45-R47 VanDerWaalsContact OD1-CB 3.31Å; D45-R47 WeakPolarHBondContact OD1-CB 3.48Å; D45-R47 PolarHBondContact OD1-N 3.4Å; D45-R47 IonicContact OD1-NE 2.84Å
48	R	81.3	Confident	87	Confident	171 Å²	171	72 Å²	72	65%	0.645	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-31.8	179.6	-67.3	-178.6	-169.9	168.7	10	112.3	E14 D45	E14-R48 PolarHBondContact O-NH2 2.68Å; E14-R48 VanDerWaalsContact O-NH2 3.14Å; D45-R48 HydrophobicContact CB-CB 4.4Å; D45-R48 PolarHBondContact O-N 2.9Å; D45-R48 PolarHBondContact OD1-N 3.23Å; D45-R48 WeakPolarHBondContact OD2-CD 3.47Å; D45-R48 WeakPolarHBondContact OD2-CG 3.1Å; D45-R48 IonicContact OD2-CZ 2.72Å; D45-R48 IonicContact OD2-NE 2.56Å; D45-R48 PolarHBondContact OD2-NE 2.82Å
49	S	79.2	Confident	86.5	Confident	61 Å²	61	71.5 Å²	71.5	43%	0.427	39%	0.394	S	S	.	.			trans	-130.9	69.2	-175.8	-58.6	0	0	0	0	111.1	D45 D51 V52	D45-S49 PolarHBondContact O-N 2.69Å; S49-D51 PolarHBondContact O-N 2.75Å; S49-D51 VanDerWaalsContact O-N 3.08Å; S49-V52 WeakPolarHBondContact O-CB 3.31Å; S49-V52 WeakPolarHBondContact O-CG1 3.43Å; S49-V52 PolarHBondContact O-N 2.85Å
50	P	74.9	Confident	86	Confident	90 Å²	90	71 Å²	71	58%	0.584	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.3	-178.3	25.3	-34.6	0	0	0	113.4	T46	T46-P50 WeakPolarHBondContact O-CA 3.3Å
51	D	82.7	Confident	85.7	Confident	84 Å²	84	75.5 Å²	75.5	45%	0.449	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.6	-173.2	-70.7	8.2	0	0	0	113.7	S49 L53 K54	S49-D51 PolarHBondContact O-N 2.75Å; S49-D51 VanDerWaalsContact O-N 3.08Å; D51-L53 PolarHBondContact O-N 2.81Å; D51-K54 HydrophobicContact CB-CD 3.81Å; D51-K54 HydrophobicContact CB-CG 4.35Å; D51-K54 WeakPolarHBondContact O-CB 3.38Å; D51-K54 PolarHBondContact O-N 3.44Å; D51-K54 WeakPolarHBondContact OD1-CE 3.31Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 2.93Å; D51-K54 IonicContact OD2-NZ 2.7Å; D51-K54 PolarHBondContact OD2-NZ 3.33Å
52	V	81.9	Confident	85.6	Confident	67 Å²	67	74 Å²	74	41%	0.406	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.9	-173.4	69.1	0	0	0	0	114.3	V44 S49 F56	V44-V52 HydrophobicContact CG1-CG1 3.36Å; S49-V52 WeakPolarHBondContact O-CB 3.31Å; S49-V52 WeakPolarHBondContact O-CG1 3.43Å; S49-V52 PolarHBondContact O-N 2.85Å; V52-F56 WeakPolarHBondContact O-CE1 3.43Å
53	L	85.4	Confident	85.7	Confident	14 Å²	14	72 Å²	72	7%	0.073	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-7.7	178.9	-55.5	177	0	0	0	113.1	V44 D51 D55 F56 A57 L62 I64	V44-L53 HydrophobicContact CG1-CD2 4.44Å; D51-L53 PolarHBondContact O-N 2.81Å; L53-D55 PolarHBondContact O-N 3.35Å; L53-F56 HydrophobicContact CD2-CE1 4.28Å; L53-F56 HydrophobicContact CD2-CE2 3.88Å; L53-F56 HydrophobicContact CD2-CZ 3.44Å; L53-F56 VanDerWaalsContact CD2-CZ 3.44Å; L53-F56 PolarHBondContact O-N 2.98Å; L53-A57 CarbonylContact O-C 3.55Å; L53-A57 WeakPolarHBondContact O-CA 3.48Å; L53-A57 PolarHBondContact O-N 3.39Å; L53-L62 HydrophobicContact CD1-CD2 4.23Å; L53-L62 HydrophobicContact CD1-CG 4.44Å; L53-I64 HydrophobicContact CD1-CD1 3.61Å; L53-I64 HydrophobicContact CD2-CD1 3.82Å; L53-I64 HydrophobicContact CG-CD1 4.18Å
54	K	85.1	Confident	85.8	Confident	115 Å²	115	70.1 Å²	70.1	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.8	-171	-78.8	-178.8	176.7	173.8	0	113.2	D51 F56	D51-K54 HydrophobicContact CB-CD 3.81Å; D51-K54 HydrophobicContact CB-CG 4.35Å; D51-K54 WeakPolarHBondContact O-CB 3.38Å; D51-K54 PolarHBondContact O-N 3.44Å; D51-K54 WeakPolarHBondContact OD1-CE 3.31Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 2.93Å; D51-K54 IonicContact OD2-NZ 2.7Å; D51-K54 PolarHBondContact OD2-NZ 3.33Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.17Å
55	D	83.8	Confident	86.1	Confident	160 Å²	160	69.9 Å²	69.9	86%	0.856	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.4	-173.3	-63.6	-22.3	0	0	0	113.3	L53	L53-D55 PolarHBondContact O-N 3.35Å
56	F	86.1	Confident	86.4	Confident	59 Å²	59	69.9 Å²	69.9	26%	0.259	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-23.2	-174.7	62.3	-91.9	0	0	0	115.1	F9 V52 L53 K54 I64 L66 A71	F9-F56 HydrophobicContact CD1-CZ 4.06Å; F9-F56 HydrophobicContact CD2-CE2 4.35Å; F9-F56 HydrophobicContact CD2-CZ 4.47Å; F9-F56 AromaticContact CE1-CZ 3.82Å; F9-F56 HydrophobicContact CE1-CZ 3.82Å; F9-F56 HydrophobicContact CE2-CE2 4.33Å; F9-F56 HydrophobicContact CE2-CZ 4.3Å; F9-F56 HydrophobicContact CG-CZ 4.38Å; F9-F56 HydrophobicContact CZ-CE2 4.44Å; F9-F56 AromaticContact CZ-CZ 3.96Å; F9-F56 HydrophobicContact CZ-CZ 3.96Å; V52-F56 WeakPolarHBondContact O-CE1 3.43Å; L53-F56 HydrophobicContact CD2-CE1 4.28Å; L53-F56 HydrophobicContact CD2-CE2 3.88Å; L53-F56 HydrophobicContact CD2-CZ 3.44Å; L53-F56 VanDerWaalsContact CD2-CZ 3.44Å; L53-F56 PolarHBondContact O-N 2.98Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.17Å; F56-I64 HydrophobicContact CD2-CG2 4.32Å; F56-I64 HydrophobicContact CE2-CG2 3.96Å; F56-L66 HydrophobicContact CB-CD2 4.34Å; F56-L66 HydrophobicContact CD2-CD1 4.21Å; F56-L66 HydrophobicContact CD2-CD2 3.62Å; F56-L66 HydrophobicContact CD2-CG 4.2Å; F56-L66 HydrophobicContact CE2-CD1 4.28Å; F56-L66 HydrophobicContact CE2-CD2 4.19Å; F56-L66 HydrophobicContact CE2-CG 4.31Å; F56-L66 HydrophobicContact CG-CD1 4.44Å; F56-L66 HydrophobicContact CG-CD2 4.19Å; F56-A71 HydrophobicContact CB-CB 4.46Å; F56-A71 HydrophobicContact CD2-CB 4.26Å; F56-A71 WeakPolarHBondContact O-CB 3.4Å
57	A	87.1	Confident	87	Confident	3 Å²	3	69.4 Å²	69.4	3%	0.025	37%	0.371	C	S	.	.	S	Bend	trans	-147.4	61.6	-179.4	0	0	0	0	0	111.3	L53 G59 S60 I64 T73	L53-A57 CarbonylContact O-C 3.55Å; L53-A57 WeakPolarHBondContact O-CA 3.48Å; L53-A57 PolarHBondContact O-N 3.39Å; A57-G59 PolarHBondContact O-N 2.78Å; A57-S60 WeakPolarHBondContact O-CB 3.41Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 2.92Å; A57-I64 HydrophobicContact CB-CD1 3.6Å; A57-I64 HydrophobicContact CB-CG1 4.28Å; A57-I64 HydrophobicContact CB-CG2 4.17Å; A57-T73 HydrophobicContact CB-CG2 4.3Å
58	P	86	Confident	87.6	Confident	93 Å²	93	66.5 Å²	66.5	60%	0.604	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	124.8	-174.7	25.8	-34	0	0	0	111.8	S60	P58-S60 PolarHBondContact O-N 3.43Å
59	G	84	Confident	87.8	Confident	86 Å²	86	63.8 Å²	63.8	89%	0.887	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-0.6	178.2	0	0	0	0	0	115	A57	A57-G59 PolarHBondContact O-N 2.78Å
60	S	86.9	Confident	88.4	Confident	37 Å²	37	65.1 Å²	65.1	26%	0.259	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-73.3	148.7	179	-55.4	0	0	0	0	112.1	A57 P58 T73	A57-S60 WeakPolarHBondContact O-CB 3.41Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 2.92Å; P58-S60 PolarHBondContact O-N 3.43Å; S60-T73 WeakPolarHBondContact OG-CG2 3.25Å
61	Q	89.9	Confident	89.4	Confident	172 Å²	172	62.2 Å²	62.2	80%	0.804	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-88.1	147.5	171.7	-64	-176.2	-2.9	0	0	110.2
62	L	93.3	Very high	90	Very high	29 Å²	29	60.2 Å²	60.2	15%	0.152	35%	0.346	C	S	.	.	S	Bend	trans	-70.1	149.3	171	-66	166.9	0	0	0	110.5	F9 K11 V44 T46 L53 I64	F9-L62 HydrophobicContact CB-CD2 3.9Å; K11-L62 HydrophobicContact CB-CD1 4.11Å; V44-L62 HydrophobicContact CB-CD1 3.87Å; V44-L62 HydrophobicContact CB-CD2 4.37Å; V44-L62 HydrophobicContact CG1-CD1 4.16Å; V44-L62 HydrophobicContact CG2-CD2 4.37Å; T46-L62 HydrophobicContact CG2-CD1 3.91Å; L53-L62 HydrophobicContact CD1-CD2 4.23Å; L53-L62 HydrophobicContact CD1-CG 4.44Å; L62-I64 HydrophobicContact CD2-CD1 4.1Å; L62-I64 HydrophobicContact CD2-CG1 4.4Å
63	P	96.5	Very high	90.5	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.013	34%	0.342	C	S	.	.	P	Polyproline II helix	cis	-78.7	157.3	1.7	32.9	-37.6	0	0	0	114.3	L8 F9 C25 L28	L8-P63 HydrophobicContact CD1-CB 4.3Å; F9-P63 VanDerWaalsContact O-CA 3.3Å; F9-P63 WeakPolarHBondContact O-CA 3.31Å; C25-P63 HydrophobicContact CB-CB 4.3Å; L28-P63 HydrophobicContact CD1-CB 3.89Å; L28-P63 HydrophobicContact CD1-CG 3.37Å; L28-P63 HydrophobicContact CG-CG 4.07Å
64	I	96.4	Very high	91	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.5	173.1	-64.6	157.2	0	0	0	108.5	F9 L53 F56 A57 L62 T73	F9-I64 HydrophobicContact CB-CB 4.23Å; F9-I64 PolarHBondContact N-O 2.78Å; F9-I64 PolarHBondContact O-N 3.46Å; F9-I64 VanDerWaalsContact O-N 3.15Å; L53-I64 HydrophobicContact CD1-CD1 3.61Å; L53-I64 HydrophobicContact CD2-CD1 3.82Å; L53-I64 HydrophobicContact CG-CD1 4.18Å; F56-I64 HydrophobicContact CD2-CG2 4.32Å; F56-I64 HydrophobicContact CE2-CG2 3.96Å; A57-I64 HydrophobicContact CB-CD1 3.6Å; A57-I64 HydrophobicContact CB-CG1 4.28Å; A57-I64 HydrophobicContact CB-CG2 4.17Å; L62-I64 HydrophobicContact CD2-CD1 4.1Å; L62-I64 HydrophobicContact CD2-CG1 4.4Å; I64-T73 HydrophobicContact CG1-CG2 4.48Å
65	L	97.2	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	173.1	-176.3	73	0	0	0	109.1	L6 Q7 L8 L32 K72 I78 F81 L82	L6-L65 HydrophobicContact CD1-CD1 3.56Å; L6-L65 HydrophobicContact CD1-CD2 4.04Å; L6-L65 HydrophobicContact CD1-CG 4.03Å; L6-L65 HydrophobicContact CG-CD1 4.02Å; Q7-L65 WeakPolarHBondContact O-CA 3.49Å; Q7-L65 WeakPolarHBondContact O-CD1 3.3Å; L8-L65 HydrophobicContact CD1-CD1 4.4Å; L32-L65 HydrophobicContact CD1-CD1 4.28Å; L65-K72 HydrophobicContact CB-CB 4.38Å; L65-K72 PolarHBondContact N-O 2.89Å; L65-K72 PolarHBondContact O-N 3.29Å; L65-I78 HydrophobicContact CB-CD1 4.23Å; L65-I78 HydrophobicContact CB-CG1 4.2Å; L65-I78 HydrophobicContact CB-CG2 3.73Å; L65-I78 HydrophobicContact CD2-CG2 3.68Å; L65-I78 HydrophobicContact CG-CG2 4.27Å; L65-F81 HydrophobicContact CD2-CD1 3.98Å; L65-F81 HydrophobicContact CD2-CE1 4.13Å; L65-L82 HydrophobicContact CD2-CD1 4.41Å; L65-L82 HydrophobicContact CD2-CD2 3.72Å; L65-L82 HydrophobicContact CD2-CG 4.03Å
66	L	95.5	Very high	92	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.3	163.9	-67	-176.2	0	0	0	108.9	Q7 F9 F56 D70 A71	Q7-L66 HydrophobicContact CB-CB 4.27Å; Q7-L66 PolarHBondContact N-O 2.05Å; Q7-L66 PolarHBondContact O-N 2.7Å; F9-L66 HydrophobicContact CD2-CD1 4.49Å; F9-L66 HydrophobicContact CD2-CG 4.25Å; F9-L66 HydrophobicContact CE2-CB 4.19Å; F9-L66 HydrophobicContact CE2-CD1 3.42Å; F9-L66 VanDerWaalsContact CE2-CD1 3.42Å; F9-L66 HydrophobicContact CE2-CG 3.55Å; F9-L66 HydrophobicContact CZ-CD1 3.71Å; F9-L66 HydrophobicContact CZ-CG 4.34Å; F56-L66 HydrophobicContact CB-CD2 4.34Å; F56-L66 HydrophobicContact CD2-CD1 4.21Å; F56-L66 HydrophobicContact CD2-CD2 3.62Å; F56-L66 HydrophobicContact CD2-CG 4.2Å; F56-L66 HydrophobicContact CE2-CD1 4.28Å; F56-L66 HydrophobicContact CE2-CD2 4.19Å; F56-L66 HydrophobicContact CE2-CG 4.31Å; F56-L66 HydrophobicContact CG-CD1 4.44Å; F56-L66 HydrophobicContact CG-CD2 4.19Å; L66-D70 WeakPolarHBondContact CA-O 3.19Å; L66-A71 HydrophobicContact CD2-CB 3.55Å
67	Y	94.6	Very high	92.5	Very high	53 Å²	53	58 Å²	58	21%	0.208	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	108.9	173.2	-175.3	-84.7	0	0	0	108.3	T4 L6 S69 D70 F81 T85	T4-Y67 HydrophobicContact CG2-CD2 4.05Å; T4-Y67 HydrophobicContact CG2-CE1 4.08Å; T4-Y67 HydrophobicContact CG2-CE2 3.38Å; L6-Y67 HydrophobicContact CD1-CD2 3.67Å; L6-Y67 HydrophobicContact CD1-CE2 4.47Å; Y67-S69 PolarHBondContact O-N 3.01Å; Y67-S69 VanDerWaalsContact O-N 3.15Å; Y67-D70 PolarHBondContact N-O 3.03Å; Y67-D70 WeakPolarHBondContact O-CB 3.3Å; Y67-D70 PolarHBondContact O-N 3.43Å; Y67-F81 HydrophobicContact CD1-CE1 4.48Å; Y67-F81 AromaticContact CD1-CZ 3.84Å; Y67-F81 HydrophobicContact CD1-CZ 3.84Å; Y67-F81 AromaticContact CD2-CE1 3.66Å; Y67-F81 HydrophobicContact CD2-CE1 3.66Å; Y67-F81 AromaticContact CD2-CZ 3.72Å; Y67-F81 HydrophobicContact CD2-CZ 3.72Å; Y67-F81 HydrophobicContact CE1-CZ 4.17Å; Y67-F81 HydrophobicContact CE2-CE1 4.27Å; Y67-F81 HydrophobicContact CE2-CZ 4.08Å; Y67-F81 AromaticContact CG-CE1 3.8Å; Y67-F81 HydrophobicContact CG-CE1 3.8Å; Y67-F81 AromaticContact CG-CZ 3.61Å; Y67-F81 HydrophobicContact CG-CZ 3.61Å; Y67-T85 HydrophobicContact CE2-CG2 3.94Å
68	D	91	Very high	93.1	Very high	82 Å²	82	57.9 Å²	57.9	44%	0.439	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	40.1	-177.1	-68.9	-24.5	0	0	0	113.8	T4 K5 D70	T4-D68 WeakPolarHBondContact CA-OD1 3.31Å; K5-D68 PolarHBondContact N-OD1 3.44Å; K5-D68 PolarHBondContact O-N 3.2Å; K5-D68 VanDerWaalsContact O-N 3.12Å; D68-D70 VanDerWaalsContact C-N 3.25Å; D68-D70 PolarHBondContact O-N 3.47Å
69	S	86.5	Confident	93.6	Very high	113 Å²	113	54.1 Å²	54.1	79%	0.79	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	0	-177.7	-32.7	0	0	0	0	115.7	Y67	Y67-S69 PolarHBondContact O-N 3.01Å; Y67-S69 VanDerWaalsContact O-N 3.15Å
70	D	92.4	Very high	94.3	Very high	89 Å²	89	54.5 Å²	54.5	48%	0.476	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.1	168.7	-177.2	36.3	0	0	0	110.2	L66 Y67 D68 K72	L66-D70 WeakPolarHBondContact CA-O 3.19Å; Y67-D70 PolarHBondContact N-O 3.03Å; Y67-D70 WeakPolarHBondContact O-CB 3.3Å; Y67-D70 PolarHBondContact O-N 3.43Å; D68-D70 VanDerWaalsContact C-N 3.25Å; D68-D70 PolarHBondContact O-N 3.47Å; D70-K72 IonicContact OD2-NZ 2.78Å; D70-K72 PolarHBondContact OD2-NZ 3.11Å
71	A	94.3	Very high	94.8	Very high	30 Å²	30	54.5 Å²	54.5	25%	0.248	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.5	-177.6	0	0	0	0	0	111.1	F56 L66	F56-A71 HydrophobicContact CB-CB 4.46Å; F56-A71 HydrophobicContact CD2-CB 4.26Å; F56-A71 WeakPolarHBondContact O-CB 3.4Å; L66-A71 HydrophobicContact CD2-CB 3.55Å
72	K	95.8	Very high	95.2	Very high	41 Å²	41	46.3 Å²	46.3	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	175.3	-56.2	-172.8	-168.2	-61.1	0	109.2	L65 D70 I78 F81	L65-K72 HydrophobicContact CB-CB 4.38Å; L65-K72 PolarHBondContact N-O 2.89Å; L65-K72 PolarHBondContact O-N 3.29Å; D70-K72 IonicContact OD2-NZ 2.78Å; D70-K72 PolarHBondContact OD2-NZ 3.11Å; K72-I78 HydrophobicContact CB-CG1 3.82Å; K72-I78 WeakPolarHBondContact O-CD1 3.43Å; K72-F81 HydrophobicContact CD-CB 4.08Å; K72-F81 HydrophobicContact CD-CD1 3.43Å; K72-F81 VanDerWaalsContact CD-CD1 3.43Å; K72-F81 HydrophobicContact CD-CD2 3.9Å; K72-F81 HydrophobicContact CD-CE1 3.8Å; K72-F81 HydrophobicContact CD-CE2 4.23Å; K72-F81 HydrophobicContact CD-CG 3.48Å; K72-F81 VanDerWaalsContact CD-CG 3.48Å; K72-F81 HydrophobicContact CD-CZ 4.19Å; K72-F81 VanDerWaalsContact CE-CD2 3.43Å
73	T	92.9	Very high	95.4	Very high	50 Å²	50	46.4 Å²	46.4	31%	0.307	25%	0.251	S	S	.	.			trans	-126.2	166.6	-176.9	72.5	0	0	0	0	108.1	A57 S60 I64	A57-T73 HydrophobicContact CB-CG2 4.3Å; S60-T73 WeakPolarHBondContact OG-CG2 3.25Å; I64-T73 HydrophobicContact CG1-CG2 4.48Å
74	D	94.8	Very high	95.4	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	70	126.4	-167.2	-175.3	-88.8	0	0	0	113.3	L76 Q77 I78	D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.46Å; D74-L76 WeakPolarHBondContact OD1-CA 3.38Å; D74-L76 WeakPolarHBondContact OD1-CB 3.46Å; D74-L76 PolarHBondContact OD1-N 3.07Å; D74-Q77 HydrophobicContact CB-CB 4.2Å; D74-Q77 HydrophobicContact CB-CG 4.1Å; D74-Q77 PolarHBondContact OD1-N 3.47Å; D74-I78 WeakPolarHBondContact O-CD1 3.06Å; D74-I78 WeakPolarHBondContact O-CG1 3.02Å; D74-I78 PolarHBondContact O-N 3.37Å
75	T	95.9	Very high	95.4	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-34.8	-173.2	-55.7	0	0	0	0	112.8	S24 L28 E79	S24-T75 WeakPolarHBondContact CB-OG1 3.41Å; L28-T75 HydrophobicContact CD1-CG2 4.37Å; L28-T75 HydrophobicContact CD2-CG2 4.17Å; L28-T75 HydrophobicContact CG-CG2 4.06Å; T75-E79 WeakPolarHBondContact O-CB 3.49Å; T75-E79 PolarHBondContact O-N 3.44Å; T75-E79 VanDerWaalsContact O-N 3.15Å
76	L	95.6	Very high	95.3	Very high	92 Å²	92	57 Å²	57	48%	0.482	30%	0.304	S	S	.	.	H	α-helix	trans	-75.9	-43.8	-179	-63.4	177	0	0	0	110.3	D74 I78 E79 D80	D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.46Å; D74-L76 WeakPolarHBondContact OD1-CA 3.38Å; D74-L76 WeakPolarHBondContact OD1-CB 3.46Å; D74-L76 PolarHBondContact OD1-N 3.07Å; L76-I78 VanDerWaalsContact C-N 3.3Å; L76-I78 PolarHBondContact O-N 3.27Å; L76-E79 PolarHBondContact O-N 3.41Å; L76-E79 VanDerWaalsContact O-N 3.11Å; L76-D80 PolarHBondContact O-N 3.02Å
77	Q	96.8	Very high	95.2	Very high	127 Å²	127	56.8 Å²	56.8	59%	0.593	31%	0.307	S	S	*	.	H	α-helix	trans	-60.7	-39.5	176.1	-66.1	-178.2	25.2	0	0	112.3	D74 F81	D74-Q77 HydrophobicContact CB-CB 4.2Å; D74-Q77 HydrophobicContact CB-CG 4.1Å; D74-Q77 PolarHBondContact OD1-N 3.47Å; Q77-F81 VanDerWaalsContact O-CB 3.3Å; Q77-F81 WeakPolarHBondContact O-CB 3.3Å; Q77-F81 PolarHBondContact O-N 3.25Å
78	I	98.1	Very high	95.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-42.9	174.9	-64.6	162.1	0	0	0	111	L28 L65 K72 D74 L76 F81 L82	L28-I78 HydrophobicContact CD1-CB 3.84Å; L28-I78 HydrophobicContact CD1-CD1 3.69Å; L28-I78 HydrophobicContact CD1-CG1 4.39Å; L28-I78 HydrophobicContact CD1-CG2 3.61Å; L28-I78 HydrophobicContact CD2-CB 4.34Å; L28-I78 HydrophobicContact CD2-CG2 4.06Å; L28-I78 HydrophobicContact CG-CG2 4.45Å; L65-I78 HydrophobicContact CB-CD1 4.23Å; L65-I78 HydrophobicContact CB-CG1 4.2Å; L65-I78 HydrophobicContact CB-CG2 3.73Å; L65-I78 HydrophobicContact CD2-CG2 3.68Å; L65-I78 HydrophobicContact CG-CG2 4.27Å; K72-I78 HydrophobicContact CB-CG1 3.82Å; K72-I78 WeakPolarHBondContact O-CD1 3.43Å; D74-I78 WeakPolarHBondContact O-CD1 3.06Å; D74-I78 WeakPolarHBondContact O-CG1 3.02Å; D74-I78 PolarHBondContact O-N 3.37Å; L76-I78 VanDerWaalsContact C-N 3.3Å; L76-I78 PolarHBondContact O-N 3.27Å; I78-F81 PolarHBondContact O-N 3.44Å; I78-L82 HydrophobicContact CG2-CD1 3.9Å; I78-L82 HydrophobicContact CG2-CG 4.25Å; I78-L82 WeakPolarHBondContact O-CB 3.36Å; I78-L82 VanDerWaalsContact O-CG 3.25Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 3.22Å
79	E	97.8	Very high	95.4	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.065	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-47.3	178.5	-177.5	174.1	102.3	0	0	112	R27 L28 T75 L76 F81 L82 E83 L171	R27-E79 IonicContact CZ-OE1 3.6Å; R27-E79 IonicContact CZ-OE2 3.95Å; R27-E79 IonicContact NE-OE2 3.56Å; R27-E79 PolarHBondContact NE-OE2 3.06Å; R27-E79 IonicContact NH2-OE1 3.38Å; R27-E79 PolarHBondContact NH2-OE1 2.94Å; R27-E79 IonicContact NH2-OE2 3.84Å; R27-E79 PolarHBondContact NH2-OE2 2.92Å; L28-E79 HydrophobicContact CD2-CB 4.2Å; T75-E79 WeakPolarHBondContact O-CB 3.49Å; T75-E79 PolarHBondContact O-N 3.44Å; T75-E79 VanDerWaalsContact O-N 3.15Å; L76-E79 PolarHBondContact O-N 3.41Å; L76-E79 VanDerWaalsContact O-N 3.11Å; E79-F81 VanDerWaalsContact C-N 3.34Å; E79-F81 PolarHBondContact O-N 3.32Å; E79-L82 PolarHBondContact O-N 3.32Å; E79-E83 PolarHBondContact O-N 2.89Å; E79-L171 HydrophobicContact CG-CD1 3.97Å; E79-L171 HydrophobicContact CG-CD2 3.76Å; E79-L171 HydrophobicContact CG-CG 4.37Å
80	D	97.6	Very high	95.8	Very high	93 Å²	93	61.7 Å²	61.7	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-47	177.1	-68.9	-22	0	0	0	110.3	L76 L82 E83 E84	L76-D80 PolarHBondContact O-N 3.02Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.43Å; D80-E83 PolarHBondContact O-N 3.06Å; D80-E84 WeakPolarHBondContact O-CG 3.32Å; D80-E84 PolarHBondContact O-N 3.24Å
81	F	97.9	Very high	96	Very high	37 Å²	37	60.2 Å²	60.2	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-43.3	176	171.1	-98.7	0	0	0	112.7	L65 Y67 K72 Q77 I78 E79 E83 T85	L65-F81 HydrophobicContact CD2-CD1 3.98Å; L65-F81 HydrophobicContact CD2-CE1 4.13Å; Y67-F81 HydrophobicContact CD1-CE1 4.48Å; Y67-F81 AromaticContact CD1-CZ 3.84Å; Y67-F81 HydrophobicContact CD1-CZ 3.84Å; Y67-F81 AromaticContact CD2-CE1 3.66Å; Y67-F81 HydrophobicContact CD2-CE1 3.66Å; Y67-F81 AromaticContact CD2-CZ 3.72Å; Y67-F81 HydrophobicContact CD2-CZ 3.72Å; Y67-F81 HydrophobicContact CE1-CZ 4.17Å; Y67-F81 HydrophobicContact CE2-CE1 4.27Å; Y67-F81 HydrophobicContact CE2-CZ 4.08Å; Y67-F81 AromaticContact CG-CE1 3.8Å; Y67-F81 HydrophobicContact CG-CE1 3.8Å; Y67-F81 AromaticContact CG-CZ 3.61Å; Y67-F81 HydrophobicContact CG-CZ 3.61Å; K72-F81 HydrophobicContact CD-CB 4.08Å; K72-F81 HydrophobicContact CD-CD1 3.43Å; K72-F81 VanDerWaalsContact CD-CD1 3.43Å; K72-F81 HydrophobicContact CD-CD2 3.9Å; K72-F81 HydrophobicContact CD-CE1 3.8Å; K72-F81 HydrophobicContact CD-CE2 4.23Å; K72-F81 HydrophobicContact CD-CG 3.48Å; K72-F81 VanDerWaalsContact CD-CG 3.48Å; K72-F81 HydrophobicContact CD-CZ 4.19Å; K72-F81 VanDerWaalsContact CE-CD2 3.43Å; Q77-F81 VanDerWaalsContact O-CB 3.3Å; Q77-F81 WeakPolarHBondContact O-CB 3.3Å; Q77-F81 PolarHBondContact O-N 3.25Å; I78-F81 PolarHBondContact O-N 3.44Å; E79-F81 VanDerWaalsContact C-N 3.34Å; E79-F81 PolarHBondContact O-N 3.32Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-T85 WeakPolarHBondContact CD2-OG1 3.47Å; F81-T85 HydrophobicContact CE2-CG2 4.4Å; F81-T85 WeakPolarHBondContact CE2-OG1 3.32Å; F81-T85 HydrophobicContact CZ-CG2 3.99Å; F81-T85 VanDerWaalsContact CZ-OG1 3.31Å; F81-T85 WeakPolarHBondContact CZ-OG1 3.45Å; F81-T85 WeakPolarHBondContact O-CB 3.5Å; F81-T85 PolarHBondContact O-N 3.28Å; F81-T85 PolarHBondContact O-OG1 3.42Å
82	L	97.8	Very high	96.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-35.8	179.1	-73.1	172.3	0	0	0	111.9	L6 V31 L32 L65 I78 E79 D80 L86	L6-L82 HydrophobicContact CD1-CD2 4.48Å; V31-L82 HydrophobicContact CG1-CB 4.38Å; V31-L82 HydrophobicContact CG1-CD1 3.93Å; L32-L82 HydrophobicContact CD2-CD1 3.79Å; L32-L82 HydrophobicContact CD2-CD2 3.62Å; L32-L82 HydrophobicContact CD2-CG 4.37Å; L32-L82 HydrophobicContact CG-CD1 4.26Å; L65-L82 HydrophobicContact CD2-CD1 4.41Å; L65-L82 HydrophobicContact CD2-CD2 3.72Å; L65-L82 HydrophobicContact CD2-CG 4.03Å; I78-L82 HydrophobicContact CG2-CD1 3.9Å; I78-L82 HydrophobicContact CG2-CG 4.25Å; I78-L82 WeakPolarHBondContact O-CB 3.36Å; I78-L82 VanDerWaalsContact O-CG 3.25Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 3.22Å; E79-L82 PolarHBondContact O-N 3.32Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.43Å; L82-L86 HydrophobicContact CD2-CD1 3.79Å; L82-L86 WeakPolarHBondContact O-CA 3.47Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 PolarHBondContact O-N 3.3Å
83	E	97.3	Very high	96.3	Very high	31 Å²	31	62.6 Å²	62.6	15%	0.145	35%	0.347	C	S	.	.	H	α-helix	trans	-73.6	-37.5	177.4	-176	59.4	132.8	0	0	112.2	K35 E79 D80 F81 S93 L94 A95 L171	K35-E83 IonicContact NZ-OE2 3.87Å; K35-E83 PolarHBondContact NZ-OE2 2.81Å; E79-E83 PolarHBondContact O-N 2.89Å; D80-E83 PolarHBondContact O-N 3.06Å; F81-E83 VanDerWaalsContact C-N 3.35Å; E83-S93 WeakPolarHBondContact OE1-CA 3.46Å; E83-S93 PolarHBondContact OE1-OG 3.08Å; E83-L94 PolarHBondContact OE1-N 3.33Å; E83-A95 PolarHBondContact OE1-N 3.3Å; E83-L171 HydrophobicContact CB-CD1 4.49Å; E83-L171 HydrophobicContact CG-CD1 4.46Å
84	E	96.8	Very high	96.5	Very high	163 Å²	163	60.8 Å²	60.8	76%	0.762	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-42.2	174.4	-71.1	178.7	175.5	0	0	112.5	D80	D80-E84 WeakPolarHBondContact O-CG 3.32Å; D80-E84 PolarHBondContact O-N 3.24Å
85	T	96	Very high	96.6	Very high	51 Å²	51	59.5 Å²	59.5	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-84.9	-35.6	-173	-53.8	0	0	0	0	112.5	Y67 F81	Y67-T85 HydrophobicContact CE2-CG2 3.94Å; F81-T85 WeakPolarHBondContact CD2-OG1 3.47Å; F81-T85 HydrophobicContact CE2-CG2 4.4Å; F81-T85 WeakPolarHBondContact CE2-OG1 3.32Å; F81-T85 HydrophobicContact CZ-CG2 3.99Å; F81-T85 VanDerWaalsContact CZ-OG1 3.31Å; F81-T85 WeakPolarHBondContact CZ-OG1 3.45Å; F81-T85 WeakPolarHBondContact O-CB 3.5Å; F81-T85 PolarHBondContact O-N 3.28Å; F81-T85 PolarHBondContact O-OG1 3.42Å
86	L	95.9	Very high	96.7	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.047	34%	0.337	C	S	.	.	S	Bend	trans	-110.8	53.7	-178.4	-51.2	175.8	0	0	0	109.8	L6 K35 V37 L82 F91	L6-L86 HydrophobicContact CD2-CD1 4.37Å; K35-L86 HydrophobicContact CB-CD1 4.33Å; K35-L86 HydrophobicContact CD-CB 3.95Å; K35-L86 WeakPolarHBondContact CD-O 3.41Å; K35-L86 WeakPolarHBondContact CE-O 3.03Å; K35-L86 HydrophobicContact CG-CB 4.35Å; K35-L86 HydrophobicContact CG-CD1 4.2Å; K35-L86 PolarHBondContact NZ-O 3.22Å; V37-L86 HydrophobicContact CB-CD1 4.27Å; V37-L86 HydrophobicContact CG1-CD1 3.81Å; V37-L86 HydrophobicContact CG2-CD2 4.48Å; L82-L86 HydrophobicContact CD2-CD1 3.79Å; L82-L86 WeakPolarHBondContact O-CA 3.47Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 PolarHBondContact O-N 3.3Å; L86-F91 HydrophobicContact CB-CB 4.15Å; L86-F91 HydrophobicContact CB-CD2 3.83Å; L86-F91 HydrophobicContact CB-CE2 4.4Å; L86-F91 HydrophobicContact CB-CG 3.95Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CE2 3.61Å; L86-F91 HydrophobicContact CD2-CZ 3.99Å; L86-F91 WeakPolarHBondContact O-CB 3.46Å
87	G	93.9	Very high	96.8	Very high	16 Å²	16	63.7 Å²	63.7	17%	0.165	35%	0.346	C	S	.	.			trans	-98.3	-179.8	178.5	0	0	0	0	0	114.2	D90 F91	G87-D90 PolarHBondContact O-N 3.43Å; G87-F91 CarbonylContact C-O 3.52Å; G87-F91 PolarHBondContact O-N 2.95Å; G87-F91 VanDerWaalsContact O-N 3.1Å
88	P	94.8	Very high	96.8	Very high	90 Å²	90	58.9 Å²	58.9	58%	0.584	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	149.8	173	-23.9	34.6	0	0	0	112.7	F91	P88-F91 VanDerWaalsContact CA-O 3.24Å; P88-F91 WeakPolarHBondContact CA-O 3.41Å
89	P	94.9	Very high	96.7	Very high	124 Å²	124	69.5 Å²	69.5	81%	0.805	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.9	-14.2	6.8	33.9	-36.1	0	0	0	115
90	D	94.8	Very high	96.7	Very high	136 Å²	136	74.4 Å²	74.4	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.5	-169.6	-62.1	-43.5	0	0	0	113	G87	G87-D90 PolarHBondContact O-N 3.43Å
91	F	96.8	Very high	96.7	Very high	58 Å²	58	70 Å²	70	25%	0.254	36%	0.362	S	S	.	.	S	Bend	trans	-136.3	155.7	-178.4	-61	-76.2	0	0	0	111.3	K35 V37 L86 G87 P88	K35-F91 HydrophobicContact CD-CB 4.48Å; K35-F91 WeakPolarHBondContact O-CD1 3.49Å; V37-F91 HydrophobicContact CB-CD1 4.48Å; V37-F91 HydrophobicContact CB-CE1 3.83Å; V37-F91 HydrophobicContact CB-CZ 4.4Å; V37-F91 HydrophobicContact CG2-CE1 4.01Å; V37-F91 HydrophobicContact CG2-CZ 4.1Å; L86-F91 HydrophobicContact CB-CB 4.15Å; L86-F91 HydrophobicContact CB-CD2 3.83Å; L86-F91 HydrophobicContact CB-CE2 4.4Å; L86-F91 HydrophobicContact CB-CG 3.95Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CE2 3.61Å; L86-F91 HydrophobicContact CD2-CZ 3.99Å; L86-F91 WeakPolarHBondContact O-CB 3.46Å; G87-F91 CarbonylContact C-O 3.52Å; G87-F91 PolarHBondContact O-N 2.95Å; G87-F91 VanDerWaalsContact O-N 3.1Å; P88-F91 VanDerWaalsContact CA-O 3.24Å; P88-F91 WeakPolarHBondContact CA-O 3.41Å
92	P	97.3	Very high	96.5	Very high	57 Å²	57	72.6 Å²	72.6	37%	0.37	38%	0.378	S	S	.	.			trans	-70.8	139.9	178.6	29.3	-34.4	0	0	0	111.3	L34 K35 L94	L34-P92 WeakPolarHBondContact O-CG 3.29Å; K35-P92 PolarHBondContact NZ-O 2.86Å; P92-L94 HydrophobicContact CG-CD2 4.46Å
93	S	97.8	Very high	96.4	Very high	65 Å²	65	75.9 Å²	75.9	46%	0.455	40%	0.398	S	S	.	.			trans	-72	135.4	161.5	178.2	0	0	0	0	109.5	E83 A95	E83-S93 WeakPolarHBondContact OE1-CA 3.46Å; E83-S93 PolarHBondContact OE1-OG 3.08Å; S93-A95 PolarHBondContact OG-N 2.6Å
94	L	98.4	Very high	96.5	Very high	11 Å²	11	75.1 Å²	75.1	6%	0.058	40%	0.397	C	S	.	.			trans	-108.1	-4.1	176.9	-56.4	-179.4	0	0	0	111.9	V31 L34 K35 E83 P92 T170 L171	V31-L94 HydrophobicContact CG1-CD1 4.16Å; L34-L94 HydrophobicContact CB-CD1 3.66Å; L34-L94 HydrophobicContact CB-CD2 3.9Å; L34-L94 HydrophobicContact CB-CG 4.46Å; L34-L94 HydrophobicContact CD1-CD1 4.33Å; K35-L94 HydrophobicContact CD-CD1 4.1Å; K35-L94 HydrophobicContact CD-CG 4.38Å; K35-L94 HydrophobicContact CG-CD1 4.19Å; E83-L94 PolarHBondContact OE1-N 3.33Å; P92-L94 HydrophobicContact CG-CD2 4.46Å; L94-T170 CarbonylContact O-C 3.46Å; L94-T170 VanDerWaalsContact O-CA 3.3Å; L94-T170 WeakPolarHBondContact O-CA 3.42Å; L94-T170 VanDerWaalsContact O-CB 3.25Å; L94-T170 WeakPolarHBondContact O-CB 3.27Å; L94-L171 HydrophobicContact CB-CD2 3.81Å; L94-L171 HydrophobicContact CB-CG 3.8Å; L94-L171 HydrophobicContact CD1-CD2 4.24Å; L94-L171 PolarHBondContact O-N 2.83Å
95	A	97.7	Very high	96.5	Very high	53 Å²	53	67.8 Å²	67.8	44%	0.438	37%	0.365	S	S	.	.			trans	-56.4	127.2	174.2	0	0	0	0	0	110.5	E83 S93	E83-A95 PolarHBondContact OE1-N 3.3Å; S93-A95 PolarHBondContact OG-N 2.6Å
96	P	97.5	Very high	96.5	Very high	22 Å²	22	70.7 Å²	70.7	14%	0.143	38%	0.379	C	S	.	.			trans	-68.8	146.8	176.7	26.8	-31.3	0	0	0	110.8	N102 D165 T170 A172	P96-N102 VanDerWaalsContact CG-CG 3.5Å; P96-N102 WeakPolarHBondContact CG-ND2 3.25Å; P96-N102 WeakPolarHBondContact CG-OD1 3.43Å; P96-D165 HydrophobicContact CB-CB 4.07Å; P96-D165 WeakPolarHBondContact CB-OD1 3.26Å; P96-T170 HydrophobicContact CB-CG2 4.36Å; P96-A172 HydrophobicContact CG-CB 4.28Å
97	R	97.1	Very high	96.5	Very high	179 Å²	179	72.1 Å²	72.1	68%	0.675	39%	0.387	S	S	*	.	S	Bend	trans	-72.2	-39	177.3	-175.6	-177.6	-60.4	173.3	2.7	111.9	D165	R97-D165 VanDerWaalsContact CB-OD2 3.25Å; R97-D165 WeakPolarHBondContact CB-OD2 3.25Å; R97-D165 VanDerWaalsContact N-CG 3.34Å; R97-D165 PolarHBondContact N-OD1 3.31Å; R97-D165 PolarHBondContact N-OD2 3.04Å
98	Y	97.8	Very high	96.8	Very high	27 Å²	27	71.5 Å²	71.5	11%	0.106	38%	0.379	C	S	.	.	S	Bend	trans	-100.8	126.1	-174.1	-56.3	-77.6	0	0	0	110.7	E100 S101 L146 E147 H148 D165	Y98-E100 PolarHBondContact O-N 3.16Å; Y98-E100 VanDerWaalsContact O-N 3.16Å; Y98-S101 VanDerWaalsContact O-CB 3.26Å; Y98-S101 WeakPolarHBondContact O-CB 3.49Å; Y98-S101 PolarHBondContact O-N 2.76Å; Y98-L146 HydrophobicContact CD2-CB 4.44Å; Y98-L146 HydrophobicContact CD2-CD1 3.69Å; Y98-L146 HydrophobicContact CD2-CD2 4.46Å; Y98-L146 HydrophobicContact CD2-CG 4.42Å; Y98-L146 HydrophobicContact CE2-CB 3.98Å; Y98-L146 HydrophobicContact CE2-CD1 3.83Å; Y98-L146 HydrophobicContact CE2-CG 4.41Å; Y98-L146 HydrophobicContact CG-CD1 4.49Å; Y98-E147 HydrophobicContact CE1-CB 3.91Å; Y98-E147 HydrophobicContact CE1-CG 4.04Å; Y98-H148 AromaticContact CE2-ND1 3.49Å; Y98-H148 WeakPolarHBondContact CE2-ND1 3.13Å; Y98-H148 AromaticContact CZ-ND1 3.74Å; Y98-H148 WeakPolarHBondContact OH-CB 3.32Å; Y98-H148 PolarHBondContact OH-N 2.97Å; Y98-H148 PolarHBondContact OH-ND1 3.31Å; Y98-D165 VanDerWaalsContact CD2-OD1 3.27Å; Y98-D165 WeakPolarHBondContact CD2-OD1 3.33Å; Y98-D165 PolarHBondContact N-OD1 3.25Å
99	R	95.1	Very high	96.9	Very high	222 Å²	222	69.3 Å²	69.3	84%	0.838	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.5	-34.8	178.7	-174	178.1	179.2	179.5	1.3	112.4	S101 N102	R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 3.14Å; R99-N102 WeakPolarHBondContact O-CB 3.37Å; R99-N102 PolarHBondContact O-N 2.87Å
100	E	97.1	Very high	97	Very high	118 Å²	118	69.6 Å²	69.6	55%	0.551	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-64	-34.2	179.6	-165	174.8	-177.4	0	0	112.2	Y98 N102 T103 A104 Y141	Y98-E100 PolarHBondContact O-N 3.16Å; Y98-E100 VanDerWaalsContact O-N 3.16Å; E100-N102 PolarHBondContact O-N 3Å; E100-T103 PolarHBondContact O-N 3.36Å; E100-T103 PolarHBondContact O-OG1 2.85Å; E100-A104 PolarHBondContact O-N 3.31Å; E100-Y141 HydrophobicContact CB-CE2 3.79Å; E100-Y141 VanDerWaalsContact CD-CD2 3.5Å; E100-Y141 VanDerWaalsContact CD-CE2 3.46Å; E100-Y141 HydrophobicContact CG-CD2 3.8Å; E100-Y141 HydrophobicContact CG-CE2 3.49Å; E100-Y141 VanDerWaalsContact CG-CE2 3.49Å
101	S	98.1	Very high	97.2	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.007	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.2	175.7	-62.6	0	0	0	0	112.3	Y98 R99 T103 Y141 L164 D165 A172	Y98-S101 VanDerWaalsContact O-CB 3.26Å; Y98-S101 WeakPolarHBondContact O-CB 3.49Å; Y98-S101 PolarHBondContact O-N 2.76Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 3.14Å; S101-T103 PolarHBondContact O-N 3.42Å; S101-Y141 WeakPolarHBondContact CA-OH 3.29Å; S101-Y141 PolarHBondContact N-OH 3.36Å; S101-Y141 PolarHBondContact OG-OH 3.29Å; S101-L164 PolarHBondContact OG-O 3.12Å; S101-D165 VanDerWaalsContact CB-OD1 3.29Å; S101-D165 WeakPolarHBondContact CB-OD1 3.49Å; S101-D165 PolarHBondContact OG-OD1 3.29Å; S101-A172 WeakPolarHBondContact O-CB 3.19Å
102	N	94.5	Very high	97.3	Very high	90 Å²	90	62.8 Å²	62.8	48%	0.481	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.2	-24.9	178.8	-75.5	-48.9	0	0	0	113.7	P96 R99 E100	P96-N102 VanDerWaalsContact CG-CG 3.5Å; P96-N102 WeakPolarHBondContact CG-ND2 3.25Å; P96-N102 WeakPolarHBondContact CG-OD1 3.43Å; R99-N102 WeakPolarHBondContact O-CB 3.37Å; R99-N102 PolarHBondContact O-N 2.87Å; E100-N102 PolarHBondContact O-N 3Å
103	T	95.7	Very high	97.3	Very high	71 Å²	71	61.3 Å²	61.3	44%	0.436	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-16.7	-173.2	58.4	0	0	0	0	113.3	E100 S101 G105 N106	E100-T103 PolarHBondContact O-N 3.36Å; E100-T103 PolarHBondContact O-OG1 2.85Å; S101-T103 PolarHBondContact O-N 3.42Å; T103-G105 PolarHBondContact O-N 3.48Å; T103-N106 VanDerWaalsContact O-CB 3.3Å; T103-N106 WeakPolarHBondContact O-CB 3.18Å; T103-N106 PolarHBondContact O-N 3.32Å; T103-N106 VanDerWaalsContact O-N 3.12Å; T103-N106 PolarHBondContact O-OD1 3.02Å
104	A	97.9	Very high	97.2	Very high	15 Å²	15	60 Å²	60	12%	0.124	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	122.5	178.5	0	0	0	0	0	111	E100 N106 L138 Y141 L164	E100-A104 PolarHBondContact O-N 3.31Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 2.79Å; A104-L138 HydrophobicContact CB-CD1 4.19Å; A104-Y141 HydrophobicContact CB-CD1 3.41Å; A104-Y141 VanDerWaalsContact CB-CD1 3.41Å; A104-Y141 HydrophobicContact CB-CD2 4.5Å; A104-Y141 HydrophobicContact CB-CE1 3.71Å; A104-Y141 HydrophobicContact CB-CG 3.85Å; A104-L164 HydrophobicContact CB-CD2 3.98Å
105	G	97.9	Very high	97.1	Very high	9 Å²	9	59.6 Å²	59.6	9%	0.093	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	8.5	179	0	0	0	0	0	115.7	T103 D107 V108	T103-G105 PolarHBondContact O-N 3.48Å; G105-D107 PolarHBondContact O-N 3.35Å; G105-D107 VanDerWaalsContact O-N 3.16Å; G105-V108 WeakPolarHBondContact O-CB 3.42Å; G105-V108 WeakPolarHBondContact O-CG2 3.31Å; G105-V108 PolarHBondContact O-N 2.83Å; G105-V108 VanDerWaalsContact O-N 3.14Å
106	N	94.6	Very high	97	Very high	112 Å²	112	57.1 Å²	57.1	60%	0.599	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.2	-176.3	67.5	-3.8	0	0	0	114.2	T103 A104	T103-N106 VanDerWaalsContact O-CB 3.3Å; T103-N106 WeakPolarHBondContact O-CB 3.18Å; T103-N106 PolarHBondContact O-N 3.32Å; T103-N106 VanDerWaalsContact O-N 3.12Å; T103-N106 PolarHBondContact O-OD1 3.02Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 2.79Å
107	D	97.6	Very high	96.9	Very high	39 Å²	39	61.1 Å²	61.1	21%	0.209	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.7	-178.3	80.3	-53.2	0	0	0	113.9	G105 F109 H110 K111 R137	G105-D107 PolarHBondContact O-N 3.35Å; G105-D107 VanDerWaalsContact O-N 3.16Å; D107-F109 VanDerWaalsContact C-N 3.34Å; D107-F109 PolarHBondContact O-N 3.43Å; D107-H110 PolarHBondContact O-N 2.8Å; D107-H110 VanDerWaalsContact O-N 3.17Å; D107-K111 WeakPolarHBondContact O-CG 3.48Å; D107-K111 PolarHBondContact O-N 3.11Å; D107-R137 IonicContact OD1-CZ 3.44Å; D107-R137 IonicContact OD1-NH2 2.68Å; D107-R137 PolarHBondContact OD1-NH2 2.98Å; D107-R137 IonicContact OD2-CZ 2.79Å; D107-R137 IonicContact OD2-NH2 2.82Å; D107-R137 PolarHBondContact OD2-NH2 3.22Å
108	V	98.6	Very high	96.7	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-55.1	-48.4	-178.2	171.5	0	0	0	0	111.1	G105 H110 K111 F112 L131 A134 L135 L180 V183	G105-V108 WeakPolarHBondContact O-CB 3.42Å; G105-V108 WeakPolarHBondContact O-CG2 3.31Å; G105-V108 PolarHBondContact O-N 2.83Å; G105-V108 VanDerWaalsContact O-N 3.14Å; V108-H110 VanDerWaalsContact C-N 3.32Å; V108-H110 PolarHBondContact O-N 3.5Å; V108-K111 PolarHBondContact O-N 2.9Å; V108-F112 WeakPolarHBondContact O-CB 3.24Å; V108-F112 PolarHBondContact O-N 3.29Å; V108-L131 HydrophobicContact CG1-CD1 4.13Å; V108-A134 HydrophobicContact CG2-CB 3.92Å; V108-L135 HydrophobicContact CG1-CD2 3.75Å; V108-L135 HydrophobicContact CG1-CG 4.3Å; V108-L135 HydrophobicContact CG2-CD2 4.4Å; V108-L180 HydrophobicContact CG1-CD1 4.19Å; V108-V183 HydrophobicContact CG1-CG2 4.25Å
109	F	97.9	Very high	96.4	Very high	45 Å²	45	55.8 Å²	55.8	20%	0.197	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-32.1	-176.6	-163.4	-105.7	0	0	0	112.9	D107 F112 S113 K179 I182 V183 Y229	D107-F109 VanDerWaalsContact C-N 3.34Å; D107-F109 PolarHBondContact O-N 3.43Å; F109-F112 AromaticContact CD2-CD1 3.92Å; F109-F112 HydrophobicContact CD2-CD1 3.92Å; F109-F112 HydrophobicContact CD2-CE1 4.41Å; F109-F112 AromaticContact CE2-CD1 3.91Å; F109-F112 HydrophobicContact CE2-CD1 3.91Å; F109-F112 AromaticContact CE2-CE1 3.96Å; F109-F112 HydrophobicContact CE2-CE1 3.96Å; F109-F112 HydrophobicContact CZ-CE1 4.46Å; F109-S113 WeakPolarHBondContact O-CB 3.02Å; F109-S113 PolarHBondContact O-N 3.02Å; F109-S113 PolarHBondContact O-OG 3.37Å; F109-K179 HydrophobicContact CB-CB 4.11Å; F109-K179 HydrophobicContact CB-CD 4.01Å; F109-K179 HydrophobicContact CB-CG 4.32Å; F109-K179 HydrophobicContact CD1-CD 4.46Å; F109-K179 HydrophobicContact CD1-CG 4.42Å; F109-K179 HydrophobicContact CD2-CB 3.51Å; F109-K179 HydrophobicContact CD2-CD 4.49Å; F109-K179 HydrophobicContact CD2-CG 3.89Å; F109-K179 HydrophobicContact CE2-CB 4.08Å; F109-K179 HydrophobicContact CE2-CG 4.25Å; F109-K179 HydrophobicContact CG-CB 3.93Å; F109-K179 HydrophobicContact CG-CD 4.08Å; F109-K179 HydrophobicContact CG-CG 3.96Å; F109-I182 HydrophobicContact CE2-CB 4.24Å; F109-I182 HydrophobicContact CE2-CD1 4.38Å; F109-I182 HydrophobicContact CE2-CG2 4.03Å; F109-V183 HydrophobicContact CD2-CG2 4.14Å; F109-Y229 WeakPolarHBondContact CZ-OH 3.22Å
110	H	98.1	Very high	96.3	Very high	129 Å²	129	48.2 Å²	48.2	60%	0.597	26%	0.261	S	S	*	.	H	α-helix	trans	-68.4	-44.8	174.7	177.2	76.5	0	0	0	111	D107 V108 S113 A114	D107-H110 PolarHBondContact O-N 2.8Å; D107-H110 VanDerWaalsContact O-N 3.17Å; V108-H110 VanDerWaalsContact C-N 3.32Å; V108-H110 PolarHBondContact O-N 3.5Å; H110-S113 PolarHBondContact O-N 3.31Å; H110-A114 PolarHBondContact O-N 3.23Å
111	K	98.4	Very high	96	Very high	52 Å²	52	47.5 Å²	47.5	23%	0.226	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-41.6	175	-61.4	-48.5	-178.3	-173.1	0	112.4	D107 V108 A114 F115 Q130 L131 A134	D107-K111 WeakPolarHBondContact O-CG 3.48Å; D107-K111 PolarHBondContact O-N 3.11Å; V108-K111 PolarHBondContact O-N 2.9Å; K111-A114 PolarHBondContact O-N 3.36Å; K111-F115 WeakPolarHBondContact O-CB 3.4Å; K111-F115 PolarHBondContact O-N 3.06Å; K111-Q130 HydrophobicContact CD-CB 4.21Å; K111-L131 HydrophobicContact CB-CB 4.31Å; K111-L131 HydrophobicContact CB-CD1 4.38Å; K111-A134 HydrophobicContact CG-CB 4.12Å
112	F	97.9	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-47.7	171.9	160.4	-107.4	0	0	0	111.6	V108 F109 A114 F115 I116 L131 I182 V183 V186 C187 Y229	V108-F112 WeakPolarHBondContact O-CB 3.24Å; V108-F112 PolarHBondContact O-N 3.29Å; F109-F112 AromaticContact CD2-CD1 3.92Å; F109-F112 HydrophobicContact CD2-CD1 3.92Å; F109-F112 HydrophobicContact CD2-CE1 4.41Å; F109-F112 AromaticContact CE2-CD1 3.91Å; F109-F112 HydrophobicContact CE2-CD1 3.91Å; F109-F112 AromaticContact CE2-CE1 3.96Å; F109-F112 HydrophobicContact CE2-CE1 3.96Å; F109-F112 HydrophobicContact CZ-CE1 4.46Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.39Å; F112-F115 PolarHBondContact O-N 3.4Å; F112-F115 VanDerWaalsContact O-N 3.16Å; F112-I116 HydrophobicContact CD2-CB 4.18Å; F112-I116 HydrophobicContact CD2-CG2 4.33Å; F112-I116 HydrophobicContact CE1-CG2 4.18Å; F112-I116 HydrophobicContact CE2-CB 3.78Å; F112-I116 HydrophobicContact CE2-CG1 3.97Å; F112-I116 HydrophobicContact CE2-CG2 3.93Å; F112-I116 HydrophobicContact CZ-CB 4.19Å; F112-I116 HydrophobicContact CZ-CG1 4.26Å; F112-I116 HydrophobicContact CZ-CG2 3.86Å; F112-I116 WeakPolarHBondContact O-CB 3.48Å; F112-I116 VanDerWaalsContact O-CG2 3.28Å; F112-I116 WeakPolarHBondContact O-CG2 3.19Å; F112-I116 PolarHBondContact O-N 3.2Å; F112-L131 HydrophobicContact CB-CD1 3.98Å; F112-L131 HydrophobicContact CB-CD2 4.39Å; F112-I182 HydrophobicContact CE1-CG2 3.88Å; F112-I182 HydrophobicContact CZ-CG2 4.04Å; F112-V183 HydrophobicContact CB-CG1 4.25Å; F112-V183 HydrophobicContact CB-CG2 3.66Å; F112-V183 HydrophobicContact CD1-CG2 3.82Å; F112-V183 HydrophobicContact CD2-CB 4.26Å; F112-V183 HydrophobicContact CD2-CG1 4.01Å; F112-V183 HydrophobicContact CD2-CG2 4.06Å; F112-V183 HydrophobicContact CE1-CG2 4.45Å; F112-V183 HydrophobicContact CG-CB 4.27Å; F112-V183 HydrophobicContact CG-CG1 4.24Å; F112-V183 HydrophobicContact CG-CG2 3.57Å; F112-V186 HydrophobicContact CE2-CB 3.99Å; F112-V186 HydrophobicContact CE2-CG1 3.98Å; F112-V186 HydrophobicContact CZ-CB 3.77Å; F112-V186 HydrophobicContact CZ-CG1 3.78Å; F112-V186 HydrophobicContact CZ-CG2 4.24Å; F112-C187 VanDerWaalsContact CD2-SG 3.57Å; F112-Y229 AromaticContact CE1-CE1 3.63Å; F112-Y229 HydrophobicContact CE1-CE1 3.63Å; F112-Y229 AromaticContact CE1-CZ 3.78Å; F112-Y229 HydrophobicContact CZ-CD1 4.25Å; F112-Y229 AromaticContact CZ-CE1 3.68Å; F112-Y229 HydrophobicContact CZ-CE1 3.68Å
113	S	96.9	Very high	95.8	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-40.8	-179.5	-66.1	0	0	0	0	112.3	F109 H110 K117	F109-S113 WeakPolarHBondContact O-CB 3.02Å; F109-S113 PolarHBondContact O-N 3.02Å; F109-S113 PolarHBondContact O-OG 3.37Å; H110-S113 PolarHBondContact O-N 3.31Å; S113-K117 WeakPolarHBondContact O-CB 3.36Å; S113-K117 VanDerWaalsContact O-CG 3.32Å; S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 2.87Å
114	A	96.8	Very high	95.7	Very high	38 Å²	38	50.2 Å²	50.2	31%	0.314	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-45	174.9	0	0	0	0	0	111.7	H110 K111 F112 N118 L127	H110-A114 PolarHBondContact O-N 3.23Å; K111-A114 PolarHBondContact O-N 3.36Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.39Å; A114-N118 PolarHBondContact O-N 3.35Å; A114-L127 HydrophobicContact CB-CD2 4.17Å
115	F	96.1	Very high	95.6	Very high	3 Å²	3	55 Å²	55	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-50.4	179.2	170.5	-120.8	0	0	0	113	K111 F112 K117 N118 L127 Y128 L131 R191	K111-F115 WeakPolarHBondContact O-CB 3.4Å; K111-F115 PolarHBondContact O-N 3.06Å; F112-F115 PolarHBondContact O-N 3.4Å; F112-F115 VanDerWaalsContact O-N 3.16Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.74Å; F115-N118 WeakPolarHBondContact O-CB 3.49Å; F115-N118 PolarHBondContact O-N 2.96Å; F115-L127 HydrophobicContact CB-CB 4.08Å; F115-L127 HydrophobicContact CD2-CB 4.07Å; F115-Y128 HydrophobicContact CD1-CD2 4.35Å; F115-Y128 AromaticContact CE1-CD2 3.79Å; F115-Y128 HydrophobicContact CE1-CD2 3.79Å; F115-Y128 HydrophobicContact CE1-CE2 4.45Å; F115-Y128 HydrophobicContact CE2-CD2 4.11Å; F115-Y128 HydrophobicContact CE2-CG 4.2Å; F115-Y128 AromaticContact CZ-CD2 3.65Å; F115-Y128 HydrophobicContact CZ-CD2 3.65Å; F115-Y128 HydrophobicContact CZ-CE2 4.48Å; F115-Y128 HydrophobicContact CZ-CG 4.12Å; F115-L131 HydrophobicContact CD1-CD2 3.93Å; F115-R191 HydrophobicContact CE1-CB 4.34Å; F115-R191 HydrophobicContact CE1-CG 3.92Å; F115-R191 HydrophobicContact CZ-CB 4.27Å; F115-R191 HydrophobicContact CZ-CG 3.92Å
116	I	95.4	Very high	95.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.8	-29.7	-170.2	-163.3	57.6	0	0	0	112.9	F112 V186 F190 R191 Y229 V233	F112-I116 HydrophobicContact CD2-CB 4.18Å; F112-I116 HydrophobicContact CD2-CG2 4.33Å; F112-I116 HydrophobicContact CE1-CG2 4.18Å; F112-I116 HydrophobicContact CE2-CB 3.78Å; F112-I116 HydrophobicContact CE2-CG1 3.97Å; F112-I116 HydrophobicContact CE2-CG2 3.93Å; F112-I116 HydrophobicContact CZ-CB 4.19Å; F112-I116 HydrophobicContact CZ-CG1 4.26Å; F112-I116 HydrophobicContact CZ-CG2 3.86Å; F112-I116 WeakPolarHBondContact O-CB 3.48Å; F112-I116 VanDerWaalsContact O-CG2 3.28Å; F112-I116 WeakPolarHBondContact O-CG2 3.19Å; F112-I116 PolarHBondContact O-N 3.2Å; I116-V186 HydrophobicContact CD1-CG1 3.88Å; I116-V186 HydrophobicContact CG1-CG1 3.68Å; I116-F190 HydrophobicContact CD1-CB 4.19Å; I116-R191 HydrophobicContact CD1-CG 3.81Å; I116-Y229 HydrophobicContact CG2-CD1 4.31Å; I116-Y229 HydrophobicContact CG2-CE1 4.18Å; I116-V233 HydrophobicContact CD1-CG2 4.07Å; I116-V233 HydrophobicContact CG1-CG2 3.88Å
117	K	94.6	Very high	95.7	Very high	106 Å²	106	53.2 Å²	53.2	46%	0.461	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.1	179.1	-58	-178.6	-179.5	178.1	0	113.3	S113 F115 P119 A232 H234	S113-K117 WeakPolarHBondContact O-CB 3.36Å; S113-K117 VanDerWaalsContact O-CG 3.32Å; S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 2.87Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.74Å; K117-P119 VanDerWaalsContact O-CD 3.31Å; K117-P119 WeakPolarHBondContact O-CD 3.32Å; K117-A232 HydrophobicContact CG-CB 4.2Å; K117-H234 PolarHBondContact O-CD2 3.36Å
118	N	93.3	Very high	95.7	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.059	30%	0.304	C	S	.	.			trans	-65.8	124	-177.1	-179.4	33.8	0	0	0	111.4	A114 F115 V120 D124 L127	A114-N118 PolarHBondContact O-N 3.35Å; F115-N118 WeakPolarHBondContact O-CB 3.49Å; F115-N118 PolarHBondContact O-N 2.96Å; N118-V120 PolarHBondContact ND2-O 2.85Å; N118-V120 PolarHBondContact OD1-N 3.25Å; N118-V120 VanDerWaalsContact OD1-N 3.08Å; N118-D124 PolarHBondContact ND2-OD1 3.45Å; N118-L127 HydrophobicContact CB-CD1 3.57Å; N118-L127 VanDerWaalsContact CG-CD1 3.46Å
119	P	91.8	Very high	95.6	Very high	84 Å²	84	56.8 Å²	56.8	55%	0.545	32%	0.319	S	S	.	.			trans	-90.1	-6.3	174.3	33.6	-31.5	0	0	0	113.5	K117 P121	K117-P119 VanDerWaalsContact O-CD 3.31Å; K117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-P121 WeakPolarHBondContact O-CD 3.42Å
120	V	93.3	Very high	95.7	Very high	62 Å²	62	58 Å²	58	38%	0.376	33%	0.325	S	S	.	.			trans	-108.8	101.7	-170.7	-173.5	0	0	0	0	111.1	N118 A122 Q123	N118-V120 PolarHBondContact ND2-O 2.85Å; N118-V120 PolarHBondContact OD1-N 3.25Å; N118-V120 VanDerWaalsContact OD1-N 3.08Å; V120-A122 HydrophobicContact CG1-CB 4.39Å; V120-A122 PolarHBondContact O-N 3.33Å; V120-A122 VanDerWaalsContact O-N 3.07Å; V120-Q123 HydrophobicContact CB-CG 4.18Å; V120-Q123 HydrophobicContact CG1-CG 4.03Å; V120-Q123 PolarHBondContact O-N 3.12Å
121	P	90.8	Very high	95.7	Very high	104 Å²	104	52 Å²	52	68%	0.675	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55	-34.1	-174.9	-29.1	35.9	0	0	0	114.7	P119 Q123 D124	P119-P121 WeakPolarHBondContact O-CD 3.42Å; P121-Q123 PolarHBondContact O-N 3.23Å; P121-Q123 VanDerWaalsContact O-N 3.14Å; P121-D124 WeakPolarHBondContact O-CB 3.42Å; P121-D124 PolarHBondContact O-N 3.03Å; P121-D124 VanDerWaalsContact O-N 3.13Å
122	A	94.2	Very high	95.7	Very high	100 Å²	100	51.2 Å²	51.2	83%	0.826	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.6	-19.8	178.1	0	0	0	0	0	114.1	V120	V120-A122 HydrophobicContact CG1-CB 4.39Å; V120-A122 PolarHBondContact O-N 3.33Å; V120-A122 VanDerWaalsContact O-N 3.07Å
123	Q	95.1	Very high	95.7	Very high	100 Å²	100	58.8 Å²	58.8	47%	0.467	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-95.7	-9	178.6	-60.2	-177.3	11.8	0	0	113.3	V120 P121 E125 A126 L127	V120-Q123 HydrophobicContact CB-CG 4.18Å; V120-Q123 HydrophobicContact CG1-CG 4.03Å; V120-Q123 PolarHBondContact O-N 3.12Å; P121-Q123 PolarHBondContact O-N 3.23Å; P121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-E125 PolarHBondContact O-N 3.48Å; Q123-A126 PolarHBondContact O-N 2.9Å; Q123-L127 HydrophobicContact CB-CD1 4.2Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 2.95Å
124	D	92.2	Very high	95.8	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.102	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-47.7	-171.6	-88.8	-2.9	0	0	0	112.6	N118 P121 A126 L127 Y128 R236	N118-D124 PolarHBondContact ND2-OD1 3.45Å; P121-D124 WeakPolarHBondContact O-CB 3.42Å; P121-D124 PolarHBondContact O-N 3.03Å; P121-D124 VanDerWaalsContact O-N 3.13Å; D124-A126 PolarHBondContact O-N 3.28Å; D124-L127 PolarHBondContact O-N 2.95Å; D124-Y128 VanDerWaalsContact O-CB 3.28Å; D124-Y128 WeakPolarHBondContact O-CB 3.42Å; D124-Y128 PolarHBondContact O-N 3.21Å; D124-R236 VanDerWaalsContact CG-NH2 3.28Å; D124-R236 IonicContact OD2-CZ 3.14Å; D124-R236 IonicContact OD2-NE 2.62Å; D124-R236 PolarHBondContact OD2-NE 3.1Å; D124-R236 IonicContact OD2-NH2 2.78Å; D124-R236 PolarHBondContact OD2-NH2 2.79Å
125	E	95.3	Very high	95.9	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-45.1	-179.4	-175.2	56.5	-145.5	0	0	110.8	Q123 L127 Y128 Q129	Q123-E125 PolarHBondContact O-N 3.48Å; E125-L127 PolarHBondContact O-N 2.68Å; E125-Y128 PolarHBondContact O-N 3.42Å; E125-Q129 HydrophobicContact CG-CG 4.49Å; E125-Q129 WeakPolarHBondContact O-CB 3.25Å; E125-Q129 VanDerWaalsContact O-CG 3.22Å; E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.18Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.41Å; E125-Q129 PolarHBondContact OE1-NE2 3.43Å
126	A	97.8	Very high	96.1	Very high	59 Å²	59	57.9 Å²	57.9	49%	0.488	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-42.5	179.6	0	0	0	0	0	112.1	Q123 D124 Q130	Q123-A126 PolarHBondContact O-N 2.9Å; D124-A126 PolarHBondContact O-N 3.28Å; A126-Q130 WeakPolarHBondContact O-CG 3.37Å; A126-Q130 PolarHBondContact O-N 3.07Å; A126-Q130 VanDerWaalsContact O-N 3.11Å
127	L	97.4	Very high	96.2	Very high	23 Å²	23	64.1 Å²	64.1	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-39.1	178.3	-68	172.4	0	0	0	112	A114 F115 N118 Q123 D124 E125 Q130 L131	A114-L127 HydrophobicContact CB-CD2 4.17Å; F115-L127 HydrophobicContact CB-CB 4.08Å; F115-L127 HydrophobicContact CD2-CB 4.07Å; N118-L127 HydrophobicContact CB-CD1 3.57Å; N118-L127 VanDerWaalsContact CG-CD1 3.46Å; Q123-L127 HydrophobicContact CB-CD1 4.2Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 2.95Å; D124-L127 PolarHBondContact O-N 2.95Å; E125-L127 PolarHBondContact O-N 2.68Å; L127-Q130 WeakPolarHBondContact O-CB 3.3Å; L127-Q130 PolarHBondContact O-N 2.96Å; L127-L131 PolarHBondContact O-N 3.44Å
128	Y	96.9	Very high	96.4	Very high	48 Å²	48	59.1 Å²	59.1	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-44.4	174.3	-174.9	-125.7	0	0	0	111.3	F115 D124 E125 Q130 L131 L132 A193	F115-Y128 HydrophobicContact CD1-CD2 4.35Å; F115-Y128 AromaticContact CE1-CD2 3.79Å; F115-Y128 HydrophobicContact CE1-CD2 3.79Å; F115-Y128 HydrophobicContact CE1-CE2 4.45Å; F115-Y128 HydrophobicContact CE2-CD2 4.11Å; F115-Y128 HydrophobicContact CE2-CG 4.2Å; F115-Y128 AromaticContact CZ-CD2 3.65Å; F115-Y128 HydrophobicContact CZ-CD2 3.65Å; F115-Y128 HydrophobicContact CZ-CE2 4.48Å; F115-Y128 HydrophobicContact CZ-CG 4.12Å; D124-Y128 VanDerWaalsContact O-CB 3.28Å; D124-Y128 WeakPolarHBondContact O-CB 3.42Å; D124-Y128 PolarHBondContact O-N 3.21Å; E125-Y128 PolarHBondContact O-N 3.42Å; Y128-Q130 VanDerWaalsContact C-N 3.28Å; Y128-Q130 PolarHBondContact O-N 3.13Å; Y128-L131 WeakPolarHBondContact O-CB 3.36Å; Y128-L131 PolarHBondContact O-N 3.5Å; Y128-L131 VanDerWaalsContact O-N 3.11Å; Y128-L132 HydrophobicContact CD1-CD1 4.02Å; Y128-L132 HydrophobicContact CD1-CG 4.43Å; Y128-L132 HydrophobicContact CE1-CD1 3.63Å; Y128-L132 HydrophobicContact CE1-CD2 4.49Å; Y128-L132 HydrophobicContact CE1-CG 4.13Å; Y128-L132 HydrophobicContact CE2-CD2 4.16Å; Y128-L132 HydrophobicContact CE2-CG 4.2Å; Y128-L132 WeakPolarHBondContact O-CG 3.36Å; Y128-L132 PolarHBondContact O-N 3.42Å; Y128-A193 HydrophobicContact CE2-CB 3.99Å
129	Q	98.2	Very high	96.7	Very high	68 Å²	68	59 Å²	59	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-35	174.5	-70.4	-61.2	-30	0	0	112.6	E125 L132 R133	E125-Q129 HydrophobicContact CG-CG 4.49Å; E125-Q129 WeakPolarHBondContact O-CB 3.25Å; E125-Q129 VanDerWaalsContact O-CG 3.22Å; E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.18Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.41Å; E125-Q129 PolarHBondContact OE1-NE2 3.43Å; Q129-L132 PolarHBondContact O-N 3.45Å; Q129-R133 VanDerWaalsContact O-CG 3.26Å; Q129-R133 WeakPolarHBondContact O-CG 3.33Å; Q129-R133 PolarHBondContact O-N 2.66Å
130	Q	98.5	Very high	97	Very high	72 Å²	72	58.7 Å²	58.7	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-41.5	173.4	-71.1	179.5	29.7	0	0	112.4	K111 A126 L127 Y128 R133 A134	K111-Q130 HydrophobicContact CD-CB 4.21Å; A126-Q130 WeakPolarHBondContact O-CG 3.37Å; A126-Q130 PolarHBondContact O-N 3.07Å; A126-Q130 VanDerWaalsContact O-N 3.11Å; L127-Q130 WeakPolarHBondContact O-CB 3.3Å; L127-Q130 PolarHBondContact O-N 2.96Å; Y128-Q130 VanDerWaalsContact C-N 3.28Å; Y128-Q130 PolarHBondContact O-N 3.13Å; Q130-R133 PolarHBondContact O-N 2.87Å; Q130-A134 PolarHBondContact O-N 3.49Å; Q130-A134 VanDerWaalsContact O-N 3.1Å
131	L	98.6	Very high	97.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-46.1	173.7	174.1	58.9	0	0	0	111.2	V108 K111 F112 F115 L127 Y128 R133 A134 L135 V183	V108-L131 HydrophobicContact CG1-CD1 4.13Å; K111-L131 HydrophobicContact CB-CB 4.31Å; K111-L131 HydrophobicContact CB-CD1 4.38Å; F112-L131 HydrophobicContact CB-CD1 3.98Å; F112-L131 HydrophobicContact CB-CD2 4.39Å; F115-L131 HydrophobicContact CD1-CD2 3.93Å; L127-L131 PolarHBondContact O-N 3.44Å; Y128-L131 WeakPolarHBondContact O-CB 3.36Å; Y128-L131 PolarHBondContact O-N 3.5Å; Y128-L131 VanDerWaalsContact O-N 3.11Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.38Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-A134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.15Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 WeakPolarHBondContact O-CG 3.37Å; L131-L135 PolarHBondContact O-N 3.12Å; L131-V183 HydrophobicContact CD1-CG1 4.26Å; L131-V183 HydrophobicContact CD2-CG1 4.33Å
132	L	98.6	Very high	97.6	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-41.3	177.6	-70.7	-176.6	0	0	0	112.3	Y128 Q129 A134 L135 A136 P196	Y128-L132 HydrophobicContact CD1-CD1 4.02Å; Y128-L132 HydrophobicContact CD1-CG 4.43Å; Y128-L132 HydrophobicContact CE1-CD1 3.63Å; Y128-L132 HydrophobicContact CE1-CD2 4.49Å; Y128-L132 HydrophobicContact CE1-CG 4.13Å; Y128-L132 HydrophobicContact CE2-CD2 4.16Å; Y128-L132 HydrophobicContact CE2-CG 4.2Å; Y128-L132 WeakPolarHBondContact O-CG 3.36Å; Y128-L132 PolarHBondContact O-N 3.42Å; Q129-L132 PolarHBondContact O-N 3.45Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.02Å; L132-L135 PolarHBondContact O-N 3.39Å; L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.93Å; L132-P196 HydrophobicContact CD2-CG 3.63Å
133	R	98.7	Very high	97.9	Very high	159 Å²	159	51.2 Å²	51.2	60%	0.6	25%	0.25	S	C	*	.	H	α-helix	trans	-63.6	-38.7	175.1	-72.3	173.1	-164.8	166.8	5.1	112.3	Q129 Q130 L131 A136 R137	Q129-R133 VanDerWaalsContact O-CG 3.26Å; Q129-R133 WeakPolarHBondContact O-CG 3.33Å; Q129-R133 PolarHBondContact O-N 2.66Å; Q130-R133 PolarHBondContact O-N 2.87Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.38Å; R133-A136 PolarHBondContact O-N 2.95Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.33Å; R133-R137 VanDerWaalsContact O-N 3.13Å
134	A	98.8	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-45.2	176	0	0	0	0	0	111.7	V108 K111 Q130 L131 L132 A136 R137 L138	V108-A134 HydrophobicContact CG2-CB 3.92Å; K111-A134 HydrophobicContact CG-CB 4.12Å; Q130-A134 PolarHBondContact O-N 3.49Å; Q130-A134 VanDerWaalsContact O-N 3.1Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-A134 VanDerWaalsContact O-N 3.14Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.02Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A134-A136 PolarHBondContact O-N 3.5Å; A134-R137 PolarHBondContact O-N 3.27Å; A134-L138 PolarHBondContact O-N 2.98Å; A134-L138 VanDerWaalsContact O-N 3.16Å
135	L	98.8	Very high	98.3	Very high	3 Å²	3	49 Å²	49	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-38.4	174.8	-70.6	167.8	0	0	0	112.2	V108 L131 L132 R137 L138 D139 L180 I195 L199	V108-L135 HydrophobicContact CG1-CD2 3.75Å; V108-L135 HydrophobicContact CG1-CG 4.3Å; V108-L135 HydrophobicContact CG2-CD2 4.4Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.15Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 WeakPolarHBondContact O-CG 3.37Å; L131-L135 PolarHBondContact O-N 3.12Å; L132-L135 PolarHBondContact O-N 3.39Å; L135-R137 PolarHBondContact O-N 3.3Å; L135-L138 PolarHBondContact O-N 2.66Å; L135-D139 WeakPolarHBondContact O-CB 3.49Å; L135-D139 PolarHBondContact O-N 3.06Å; L135-L180 HydrophobicContact CD2-CD1 3.84Å; L135-I195 HydrophobicContact CD1-CG1 4.14Å; L135-I195 HydrophobicContact CD2-CD1 4.12Å; L135-I195 HydrophobicContact CD2-CG1 4.36Å; L135-L199 HydrophobicContact CB-CD1 3.6Å; L135-L199 HydrophobicContact CD1-CD1 4.49Å
136	A	98.8	Very high	98.4	Very high	44 Å²	44	44.2 Å²	44.2	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-35.2	177.2	0	0	0	0	0	112.8	L132 R133 A134 D139 S140 L199	L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.93Å; R133-A136 PolarHBondContact O-N 2.95Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A134-A136 PolarHBondContact O-N 3.5Å; A136-D139 PolarHBondContact O-N 3.21Å; A136-S140 WeakPolarHBondContact O-CB 3.33Å; A136-S140 PolarHBondContact O-N 2.83Å; A136-L199 HydrophobicContact CB-CD2 4.41Å
137	R	98.8	Very high	98.4	Very high	131 Å²	131	48.3 Å²	48.3	49%	0.494	24%	0.236	S	C	.	.	H	α-helix	trans	-66.3	-43.4	172.5	-71.4	-168.3	-54.1	-86.1	-2.8	111.8	D107 R133 A134 L135 D139 S140 Y141	D107-R137 IonicContact OD1-CZ 3.44Å; D107-R137 IonicContact OD1-NH2 2.68Å; D107-R137 PolarHBondContact OD1-NH2 2.98Å; D107-R137 IonicContact OD2-CZ 2.79Å; D107-R137 IonicContact OD2-NH2 2.82Å; D107-R137 PolarHBondContact OD2-NH2 3.22Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.33Å; R133-R137 VanDerWaalsContact O-N 3.13Å; A134-R137 PolarHBondContact O-N 3.27Å; L135-R137 PolarHBondContact O-N 3.3Å; R137-D139 VanDerWaalsContact C-N 3.33Å; R137-S140 PolarHBondContact O-N 2.89Å; R137-Y141 PolarHBondContact O-N 3.15Å
138	L	98.8	Very high	98.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-43	173.4	176	61.7	0	0	0	111.4	A104 A134 L135 S140 Y141 L142 L164 L176 L180 V202	A104-L138 HydrophobicContact CB-CD1 4.19Å; A134-L138 PolarHBondContact O-N 2.98Å; A134-L138 VanDerWaalsContact O-N 3.16Å; L135-L138 PolarHBondContact O-N 2.66Å; L138-S140 PolarHBondContact O-N 2.88Å; L138-Y141 WeakPolarHBondContact O-CB 3.47Å; L138-Y141 PolarHBondContact O-N 2.78Å; L138-L142 HydrophobicContact CD1-CD1 3.99Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 3.89Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-L164 HydrophobicContact CD1-CD2 3.99Å; L138-L176 HydrophobicContact CD1-CD2 3.84Å; L138-L176 HydrophobicContact CD2-CD2 3.94Å; L138-L180 HydrophobicContact CD2-CD1 4.29Å; L138-L180 HydrophobicContact CD2-CD2 4.18Å; L138-V202 HydrophobicContact CB-CG2 4.44Å; L138-V202 HydrophobicContact CD2-CG2 4.22Å; L138-V202 HydrophobicContact CG-CG2 4.1Å
139	D	98.8	Very high	98.4	Very high	8 Å²	8	48 Å²	48	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-46.7	175.8	-170.1	70.1	0	0	0	111.9	L135 A136 R137 Y141 L142 R143 L199 R200 G201 V202	L135-D139 WeakPolarHBondContact O-CB 3.49Å; L135-D139 PolarHBondContact O-N 3.06Å; A136-D139 PolarHBondContact O-N 3.21Å; R137-D139 VanDerWaalsContact C-N 3.33Å; D139-Y141 VanDerWaalsContact C-N 3.31Å; D139-Y141 PolarHBondContact O-N 3.48Å; D139-L142 PolarHBondContact O-N 3.04Å; D139-R143 WeakPolarHBondContact O-CB 3.32Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.17Å; D139-R143 WeakPolarHBondContact OD2-CD 3.18Å; D139-R143 IonicContact OD2-NH1 3.11Å; D139-L199 HydrophobicContact CB-CB 4.26Å; D139-L199 HydrophobicContact CB-CD2 4.02Å; D139-L199 VanDerWaalsContact OD1-CA 3.3Å; D139-L199 WeakPolarHBondContact OD1-CA 3.38Å; D139-R200 PolarHBondContact OD1-N 3.35Å; D139-G201 VanDerWaalsContact OD1-CA 3.28Å; D139-G201 WeakPolarHBondContact OD1-CA 3.45Å; D139-G201 PolarHBondContact OD1-N 3.42Å; D139-V202 HydrophobicContact CB-CG2 3.78Å; D139-V202 PolarHBondContact OD1-N 3Å; D139-V202 VanDerWaalsContact OD1-N 3.12Å
140	S	98.7	Very high	98.4	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	24%	0.236	S	C	*	.	H	α-helix	trans	-58.5	-43.3	176.5	-170.8	0	0	0	0	111.5	A136 R137 L138 R143 A144	A136-S140 WeakPolarHBondContact O-CB 3.33Å; A136-S140 PolarHBondContact O-N 2.83Å; R137-S140 PolarHBondContact O-N 2.89Å; L138-S140 PolarHBondContact O-N 2.88Å; S140-R143 PolarHBondContact O-N 3.33Å; S140-A144 WeakPolarHBondContact O-CB 3.33Å; S140-A144 PolarHBondContact O-N 3.14Å
141	Y	98.8	Very high	98.4	Very high	13 Å²	13	48.3 Å²	48.3	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-50.4	176.1	179	-105.3	0	0	0	111.7	E100 S101 A104 R137 L138 D139 R143 A144 L146 R161 L164	E100-Y141 HydrophobicContact CB-CE2 3.79Å; E100-Y141 VanDerWaalsContact CD-CD2 3.5Å; E100-Y141 VanDerWaalsContact CD-CE2 3.46Å; E100-Y141 HydrophobicContact CG-CD2 3.8Å; E100-Y141 HydrophobicContact CG-CE2 3.49Å; E100-Y141 VanDerWaalsContact CG-CE2 3.49Å; S101-Y141 WeakPolarHBondContact CA-OH 3.29Å; S101-Y141 PolarHBondContact N-OH 3.36Å; S101-Y141 PolarHBondContact OG-OH 3.29Å; A104-Y141 HydrophobicContact CB-CD1 3.41Å; A104-Y141 VanDerWaalsContact CB-CD1 3.41Å; A104-Y141 HydrophobicContact CB-CD2 4.5Å; A104-Y141 HydrophobicContact CB-CE1 3.71Å; A104-Y141 HydrophobicContact CB-CG 3.85Å; R137-Y141 PolarHBondContact O-N 3.15Å; L138-Y141 WeakPolarHBondContact O-CB 3.47Å; L138-Y141 PolarHBondContact O-N 2.78Å; D139-Y141 VanDerWaalsContact C-N 3.31Å; D139-Y141 PolarHBondContact O-N 3.48Å; Y141-R143 PolarHBondContact O-N 3.04Å; Y141-A144 PolarHBondContact O-N 3.13Å; Y141-L146 HydrophobicContact CE2-CD2 4.15Å; Y141-R161 VanDerWaalsContact CE1-NH2 3.26Å; Y141-R161 PolarHBondContact O-NH1 2.68Å; Y141-R161 PolarHBondContact O-NH2 3.38Å; Y141-L164 HydrophobicContact CD1-CD2 4.07Å; Y141-L164 HydrophobicContact CE1-CD2 3.98Å; Y141-L164 WeakPolarHBondContact CE1-O 3.25Å; Y141-L164 PolarHBondContact OH-O 3.31Å
142	L	98.8	Very high	98.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-22.7	-179.7	-72.6	166.4	0	0	0	113.3	L138 D139 S159 L164 V202 R204 Y205	L138-L142 HydrophobicContact CD1-CD1 3.99Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 3.89Å; L138-L142 WeakPolarHBondContact O-CG 3.3Å; L138-L142 PolarHBondContact O-N 3.02Å; D139-L142 PolarHBondContact O-N 3.04Å; L142-S159 WeakPolarHBondContact O-CB 3.45Å; L142-L164 HydrophobicContact CD2-CD2 4.04Å; L142-V202 HydrophobicContact CD1-CG2 4.12Å; L142-R204 PolarHBondContact O-NH2 3.4Å; L142-Y205 HydrophobicContact CD1-CD1 4.19Å; L142-Y205 HydrophobicContact CD1-CG 4.11Å; L142-Y205 HydrophobicContact CD2-CD2 4.28Å; L142-Y205 HydrophobicContact CD2-CG 4.19Å
143	R	98.6	Very high	98.2	Very high	94 Å²	94	57.4 Å²	57.4	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-95.3	-20.9	179	-66.9	174.1	69.3	-154	-6.2	113.3	D139 S140 Y141 P145 E158 S159	D139-R143 WeakPolarHBondContact O-CB 3.32Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.17Å; D139-R143 WeakPolarHBondContact OD2-CD 3.18Å; D139-R143 IonicContact OD2-NH1 3.11Å; S140-R143 PolarHBondContact O-N 3.33Å; Y141-R143 PolarHBondContact O-N 3.04Å; R143-P145 WeakPolarHBondContact O-CD 3.34Å; R143-E158 HydrophobicContact CB-CG 4.35Å; R143-E158 IonicContact CZ-OE1 2.7Å; R143-E158 IonicContact NE-OE1 2.66Å; R143-E158 PolarHBondContact NE-OE1 2.88Å; R143-E158 IonicContact NH2-OE1 2.87Å; R143-E158 PolarHBondContact NH2-OE1 2.6Å; R143-E158 CarbonylContact O-C 3.48Å; R143-E158 WeakPolarHBondContact O-CA 3.35Å; R143-S159 PolarHBondContact O-N 2.95Å
144	A	98.6	Very high	98.1	Very high	44 Å²	44	54.5 Å²	54.5	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-74.3	123	175.6	0	0	0	0	0	110.4	S140 Y141 L146 R161	S140-A144 WeakPolarHBondContact O-CB 3.33Å; S140-A144 PolarHBondContact O-N 3.14Å; Y141-A144 PolarHBondContact O-N 3.13Å; A144-L146 PolarHBondContact O-N 3.16Å; A144-R161 PolarHBondContact O-NH1 3.48Å
145	P	98.4	Very high	98	Very high	29 Å²	29	61.1 Å²	61.1	19%	0.188	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-55.4	134.9	173.5	-27.6	36.8	0	0	0	112.5	R143 L150 L156	R143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-L150 HydrophobicContact CB-CD1 4.34Å; P145-L150 HydrophobicContact CB-CD2 3.73Å; P145-L150 HydrophobicContact CB-CG 3.81Å; P145-L150 HydrophobicContact CG-CD2 4.35Å; P145-L156 HydrophobicContact CB-CD2 4.1Å; P145-L156 HydrophobicContact CB-CG 4.44Å; P145-L156 HydrophobicContact CG-CB 4.36Å; P145-L156 HydrophobicContact CG-CD2 4.15Å; P145-L156 HydrophobicContact CG-CG 4.03Å; P145-L156 WeakPolarHBondContact CG-O 3.49Å
146	L	98	Very high	97.9	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.079	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-85.7	164.1	172.2	-63.9	177.3	0	0	0	111	Y98 Y141 A144 H148 E149 L150	Y98-L146 HydrophobicContact CD2-CB 4.44Å; Y98-L146 HydrophobicContact CD2-CD1 3.69Å; Y98-L146 HydrophobicContact CD2-CD2 4.46Å; Y98-L146 HydrophobicContact CD2-CG 4.42Å; Y98-L146 HydrophobicContact CE2-CB 3.98Å; Y98-L146 HydrophobicContact CE2-CD1 3.83Å; Y98-L146 HydrophobicContact CE2-CG 4.41Å; Y98-L146 HydrophobicContact CG-CD1 4.49Å; Y141-L146 HydrophobicContact CE2-CD2 4.15Å; A144-L146 PolarHBondContact O-N 3.16Å; L146-H148 PolarHBondContact O-N 3.19Å; L146-H148 VanDerWaalsContact O-N 3.13Å; L146-E149 PolarHBondContact N-OE2 2.76Å; L146-E149 VanDerWaalsContact N-OE2 3.11Å; L146-E149 WeakPolarHBondContact O-CB 3.34Å; L146-E149 PolarHBondContact O-N 2.97Å; L146-L150 PolarHBondContact O-N 3.13Å
147	E	97.4	Very high	97.8	Very high	145 Å²	145	69.8 Å²	69.8	68%	0.678	36%	0.355	S	S	*	.	H	α-helix	trans	-55.2	-36.5	-175.2	-61.6	178.8	166	0	0	113.2	Y98 E149 L150 A151	Y98-E147 HydrophobicContact CE1-CB 3.91Å; Y98-E147 HydrophobicContact CE1-CG 4.04Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.27Å; E147-L150 PolarHBondContact O-N 3.11Å; E147-A151 WeakPolarHBondContact O-CB 3.33Å; E147-A151 PolarHBondContact O-N 3.27Å
148	H	96.6	Very high	97.8	Very high	46 Å²	46	67.1 Å²	67.1	21%	0.213	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-31.6	178.8	72.4	-87	0	0	0	112.9	Y98 L146 L152 D165	Y98-H148 AromaticContact CE2-ND1 3.49Å; Y98-H148 WeakPolarHBondContact CE2-ND1 3.13Å; Y98-H148 AromaticContact CZ-ND1 3.74Å; Y98-H148 WeakPolarHBondContact OH-CB 3.32Å; Y98-H148 PolarHBondContact OH-N 2.97Å; Y98-H148 PolarHBondContact OH-ND1 3.31Å; L146-H148 PolarHBondContact O-N 3.19Å; L146-H148 VanDerWaalsContact O-N 3.13Å; H148-L152 WeakPolarHBondContact O-CG 3.41Å; H148-D165 PolarHBondContact CE1-O 3.02Å
149	E	97.9	Very high	97.7	Very high	19 Å²	19	67.1 Å²	67.1	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-72	-42.9	174.2	-64.9	179.3	99.7	0	0	109.9	L146 E147 A151 L152 E153 L156 S159 R160 R161	L146-E149 PolarHBondContact N-OE2 2.76Å; L146-E149 VanDerWaalsContact N-OE2 3.11Å; L146-E149 WeakPolarHBondContact O-CB 3.34Å; L146-E149 PolarHBondContact O-N 2.97Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.27Å; E149-A151 VanDerWaalsContact C-N 3.31Å; E149-A151 PolarHBondContact O-N 2.97Å; E149-L152 PolarHBondContact O-N 3.19Å; E149-L152 VanDerWaalsContact O-N 3.12Å; E149-E153 PolarHBondContact O-N 2.62Å; E149-L156 HydrophobicContact CB-CD2 3.81Å; E149-L156 HydrophobicContact CG-CD2 4.49Å; E149-S159 PolarHBondContact OE1-OG 3.11Å; E149-S159 WeakPolarHBondContact OE2-CB 3.39Å; E149-S159 PolarHBondContact OE2-OG 2.93Å; E149-R160 PolarHBondContact OE1-N 2.78Å; E149-R161 PolarHBondContact OE1-N 3.02Å; E149-R161 IonicContact OE2-NH1 3.72Å
150	L	98	Very high	97.7	Very high	65 Å²	65	74.4 Å²	74.4	34%	0.34	38%	0.375	S	S	.	.	H	α-helix	trans	-67.8	-29.6	178.2	-66.5	174.9	0	0	0	113	P145 L146 E147 L152 E153 P154 L156	P145-L150 HydrophobicContact CB-CD1 4.34Å; P145-L150 HydrophobicContact CB-CD2 3.73Å; P145-L150 HydrophobicContact CB-CG 3.81Å; P145-L150 HydrophobicContact CG-CD2 4.35Å; L146-L150 PolarHBondContact O-N 3.13Å; E147-L150 PolarHBondContact O-N 3.11Å; L150-L152 PolarHBondContact O-N 3.22Å; L150-E153 CarbonylContact O-C 3.58Å; L150-P154 WeakPolarHBondContact O-CA 3.44Å; L150-P154 WeakPolarHBondContact O-CD 3.42Å; L150-P154 WeakPolarHBondContact O-CG 3.42Å; L150-P154 VanDerWaalsContact O-N 3.13Å; L150-L156 HydrophobicContact CD2-CB 4.34Å
151	A	97.1	Very high	97.6	Very high	82 Å²	82	70.7 Å²	70.7	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-64.5	-29.9	172.5	0	0	0	0	0	112.3	E147 E149	E147-A151 WeakPolarHBondContact O-CB 3.33Å; E147-A151 PolarHBondContact O-N 3.27Å; E149-A151 VanDerWaalsContact C-N 3.31Å; E149-A151 PolarHBondContact O-N 2.97Å
152	L	96.5	Very high	97.6	Very high	151 Å²	151	73.7 Å²	73.7	79%	0.791	36%	0.361	S	S	*	.	H	α-helix	trans	-90.2	-41.1	178	-63.2	173.2	0	0	0	112.2	H148 E149 L150	H148-L152 WeakPolarHBondContact O-CG 3.41Å; E149-L152 PolarHBondContact O-N 3.19Å; E149-L152 VanDerWaalsContact O-N 3.12Å; L150-L152 PolarHBondContact O-N 3.22Å
153	E	97.4	Very high	97.6	Very high	76 Å²	76	73.8 Å²	73.8	36%	0.355	36%	0.361	S	S	.	.			trans	-133.6	84	-179.2	-169.2	179.9	158	0	0	109.7	E149 L150 Q155 L156 R160	E149-E153 PolarHBondContact O-N 2.62Å; L150-E153 CarbonylContact O-C 3.58Å; E153-Q155 PolarHBondContact O-N 3.47Å; E153-L156 HydrophobicContact CB-CB 4.15Å; E153-L156 HydrophobicContact CG-CB 4.07Å; E153-L156 WeakPolarHBondContact O-CB 3.5Å; E153-L156 PolarHBondContact O-N 2.9Å; E153-R160 IonicContact OE1-NH1 3.42Å; E153-R160 IonicContact OE1-NH2 3.91Å; E153-R160 PolarHBondContact OE1-NH2 2.96Å; E153-R160 IonicContact OE2-CZ 2.69Å; E153-R160 IonicContact OE2-NH1 3.36Å; E153-R160 PolarHBondContact OE2-NH1 3.48Å; E153-R160 IonicContact OE2-NH2 3.55Å
154	P	96.8	Very high	97.6	Very high	99 Å²	99	69.3 Å²	69.3	64%	0.643	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	-174	-26.1	33.5	0	0	0	115.4	L150	L150-P154 WeakPolarHBondContact O-CA 3.44Å; L150-P154 WeakPolarHBondContact O-CD 3.42Å; L150-P154 WeakPolarHBondContact O-CG 3.42Å; L150-P154 VanDerWaalsContact O-N 3.13Å
155	Q	96.8	Very high	97.6	Very high	139 Å²	139	68 Å²	68	65%	0.65	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.9	179.2	-62.6	-67.8	-8	0	0	112.9	E153 R157	E153-Q155 PolarHBondContact O-N 3.47Å; Q155-R157 PolarHBondContact O-N 2.72Å
156	L	97.4	Very high	97.6	Very high	18 Å²	18	67 Å²	67	9%	0.094	33%	0.326	C	S	.	.			trans	-59.4	124	-179.3	-171.4	67.5	0	0	0	109.6	P145 E149 L150 E153 E158	P145-L156 HydrophobicContact CB-CD2 4.1Å; P145-L156 HydrophobicContact CB-CG 4.44Å; P145-L156 HydrophobicContact CG-CB 4.36Å; P145-L156 HydrophobicContact CG-CD2 4.15Å; P145-L156 HydrophobicContact CG-CG 4.03Å; P145-L156 WeakPolarHBondContact CG-O 3.49Å; E149-L156 HydrophobicContact CB-CD2 3.81Å; E149-L156 HydrophobicContact CG-CD2 4.49Å; L150-L156 HydrophobicContact CD2-CB 4.34Å; E153-L156 HydrophobicContact CB-CB 4.15Å; E153-L156 HydrophobicContact CG-CB 4.07Å; E153-L156 WeakPolarHBondContact O-CB 3.5Å; E153-L156 PolarHBondContact O-N 2.9Å; L156-E158 VanDerWaalsContact CD1-O 3.3Å; L156-E158 WeakPolarHBondContact CD1-O 3.35Å; L156-E158 WeakPolarHBondContact CG-O 3.45Å
157	R	96.3	Very high	97.6	Very high	210 Å²	210	70.9 Å²	70.9	79%	0.792	35%	0.347	S	S	*	.			trans	-96.6	-25.8	-178.1	-61	-59.3	-178.4	159.6	-3.5	113.2	Q155	Q155-R157 PolarHBondContact O-N 2.72Å
158	E	97.4	Very high	97.6	Very high	76 Å²	76	74.1 Å²	74.1	36%	0.355	35%	0.353	S	S	.	.	S	Bend	trans	-139.7	129.4	-177.7	-173.2	166.3	-138.1	0	0	108.8	R143 L156	R143-E158 HydrophobicContact CB-CG 4.35Å; R143-E158 IonicContact CZ-OE1 2.7Å; R143-E158 IonicContact NE-OE1 2.66Å; R143-E158 PolarHBondContact NE-OE1 2.88Å; R143-E158 IonicContact NH2-OE1 2.87Å; R143-E158 PolarHBondContact NH2-OE1 2.6Å; R143-E158 CarbonylContact O-C 3.48Å; R143-E158 WeakPolarHBondContact O-CA 3.35Å; L156-E158 VanDerWaalsContact CD1-O 3.3Å; L156-E158 WeakPolarHBondContact CD1-O 3.35Å; L156-E158 WeakPolarHBondContact CG-O 3.45Å
159	S	98.4	Very high	97.7	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.007	35%	0.345	C	S	.	.			trans	-62.1	141.9	-179.5	-178.4	0	0	0	0	111	L142 R143 E149 R161 R204	L142-S159 WeakPolarHBondContact O-CB 3.45Å; R143-S159 PolarHBondContact O-N 2.95Å; E149-S159 PolarHBondContact OE1-OG 3.11Å; E149-S159 WeakPolarHBondContact OE2-CB 3.39Å; E149-S159 PolarHBondContact OE2-OG 2.93Å; S159-R161 VanDerWaalsContact CB-NH1 3.3Å; S159-R161 VanDerWaalsContact OG-CG 3.25Å; S159-R161 WeakPolarHBondContact OG-CG 3.48Å; S159-R161 PolarHBondContact OG-N 2.81Å; S159-R161 PolarHBondContact OG-NH1 2.87Å; S159-R204 PolarHBondContact O-NH1 3.38Å; S159-R204 PolarHBondContact O-NH2 2.84Å
160	R	96.8	Very high	97.8	Very high	160 Å²	160	72 Å²	72	60%	0.604	34%	0.344	S	S	*	.			trans	-105.6	-4.8	175.2	-63.4	-179.6	-174	139.2	10.6	112.2	E149 E153	E149-R160 PolarHBondContact OE1-N 2.78Å; E153-R160 IonicContact OE1-NH1 3.42Å; E153-R160 IonicContact OE1-NH2 3.91Å; E153-R160 PolarHBondContact OE1-NH2 2.96Å; E153-R160 IonicContact OE2-CZ 2.69Å; E153-R160 IonicContact OE2-NH1 3.36Å; E153-R160 PolarHBondContact OE2-NH1 3.48Å; E153-R160 IonicContact OE2-NH2 3.55Å
161	R	98.2	Very high	97.8	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.008	33%	0.332	C	S	.	.			trans	-56.2	145.5	-177.8	80.4	-174.1	-177.9	-92	11.9	113.1	Y141 A144 E149 S159 F163 L164 D167 R204	Y141-R161 VanDerWaalsContact CE1-NH2 3.26Å; Y141-R161 PolarHBondContact O-NH1 2.68Å; Y141-R161 PolarHBondContact O-NH2 3.38Å; A144-R161 PolarHBondContact O-NH1 3.48Å; E149-R161 PolarHBondContact OE1-N 3.02Å; E149-R161 IonicContact OE2-NH1 3.72Å; S159-R161 VanDerWaalsContact CB-NH1 3.3Å; S159-R161 VanDerWaalsContact OG-CG 3.25Å; S159-R161 WeakPolarHBondContact OG-CG 3.48Å; S159-R161 PolarHBondContact OG-N 2.81Å; S159-R161 PolarHBondContact OG-NH1 2.87Å; R161-F163 VanDerWaalsContact CD-O 3.25Å; R161-F163 WeakPolarHBondContact CD-O 3.48Å; R161-F163 VanDerWaalsContact CG-O 3.24Å; R161-F163 WeakPolarHBondContact CG-O 3.43Å; R161-F163 PolarHBondContact NE-O 3.45Å; R161-L164 PolarHBondContact NE-O 3.41Å; R161-L164 PolarHBondContact NH2-O 2.92Å; R161-D167 WeakPolarHBondContact CA-OD1 3.19Å; R161-R204 PolarHBondContact O-NE 3.36Å; R161-R204 VanDerWaalsContact O-NE 3.13Å; R161-R204 PolarHBondContact O-NH2 3.33Å; R161-R204 VanDerWaalsContact O-NH2 3.11Å
162	R	98.4	Very high	97.9	Very high	76 Å²	76	66 Å²	66	29%	0.287	30%	0.302	S	S	.	.	S	Bend	trans	-79.3	-36.3	-178.8	-61.2	177	72.7	-143.5	-1.6	113.1	D167 Y205 E212	R162-D167 WeakPolarHBondContact CG-OD1 3.37Å; R162-D167 PolarHBondContact N-OD1 2.96Å; R162-Y205 WeakPolarHBondContact O-CD2 3.35Å; R162-E212 IonicContact CZ-OE1 3.7Å; R162-E212 IonicContact NH1-OE1 3.63Å; R162-E212 PolarHBondContact NH1-OE1 2.8Å; R162-E212 IonicContact NH2-OE1 3.96Å; R162-E212 PolarHBondContact NH2-OE1 3.27Å
163	F	98.8	Very high	98	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	26%	0.264	C	S	.	.	S	Bend	trans	-128.6	-179	-171.7	-53.3	-62.1	0	0	0	112.8	R161 D165 G166 D167 R168 L169 Y205 E212	R161-F163 VanDerWaalsContact CD-O 3.25Å; R161-F163 WeakPolarHBondContact CD-O 3.48Å; R161-F163 VanDerWaalsContact CG-O 3.24Å; R161-F163 WeakPolarHBondContact CG-O 3.43Å; R161-F163 PolarHBondContact NE-O 3.45Å; F163-D165 VanDerWaalsContact C-N 3.3Å; F163-D165 PolarHBondContact O-N 3.1Å; F163-G166 CarbonylContact C-O 3.59Å; F163-G166 WeakPolarHBondContact CA-O 3.37Å; F163-G166 WeakPolarHBondContact CB-O 3.48Å; F163-G166 PolarHBondContact N-O 2.94Å; F163-D167 WeakPolarHBondContact CE2-O 3.5Å; F163-R168 VanDerWaalsContact CD2-C 3.47Å; F163-L169 HydrophobicContact CD1-CD2 3.49Å; F163-L169 VanDerWaalsContact CD1-CD2 3.49Å; F163-L169 HydrophobicContact CD1-CG 4.27Å; F163-L169 HydrophobicContact CD2-CD2 4.24Å; F163-L169 HydrophobicContact CD2-CG 4.23Å; F163-L169 HydrophobicContact CE1-CD2 3.64Å; F163-L169 HydrophobicContact CE1-CG 4.16Å; F163-L169 HydrophobicContact CE2-CD2 4.36Å; F163-L169 HydrophobicContact CE2-CG 4.1Å; F163-L169 HydrophobicContact CG-CD2 3.82Å; F163-L169 HydrophobicContact CG-CG 4.31Å; F163-L169 HydrophobicContact CZ-CD2 4.09Å; F163-L169 HydrophobicContact CZ-CG 4.08Å; F163-Y205 HydrophobicContact CB-CE2 4.15Å; F163-Y205 HydrophobicContact CD1-CD2 4.11Å; F163-Y205 AromaticContact CD1-CE2 3.9Å; F163-Y205 HydrophobicContact CD1-CE2 3.9Å; F163-E212 HydrophobicContact CE1-CG 4.19Å; F163-E212 HydrophobicContact CE2-CG 4.44Å; F163-E212 HydrophobicContact CZ-CG 3.53Å
164	L	98.7	Very high	98	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	25%	0.247	C	C	.	.	S	Bend	trans	-57.4	-42.1	-170.8	-76.2	169.1	0	0	0	113.2	S101 A104 L138 Y141 L142 R161 A172 D173 L176 Y205	S101-L164 PolarHBondContact OG-O 3.12Å; A104-L164 HydrophobicContact CB-CD2 3.98Å; L138-L164 HydrophobicContact CD1-CD2 3.99Å; Y141-L164 HydrophobicContact CD1-CD2 4.07Å; Y141-L164 HydrophobicContact CE1-CD2 3.98Å; Y141-L164 WeakPolarHBondContact CE1-O 3.25Å; Y141-L164 PolarHBondContact OH-O 3.31Å; L142-L164 HydrophobicContact CD2-CD2 4.04Å; R161-L164 PolarHBondContact NE-O 3.41Å; R161-L164 PolarHBondContact NH2-O 2.92Å; L164-A172 HydrophobicContact CD1-CB 3.74Å; L164-D173 WeakPolarHBondContact CB-OD1 3.41Å; L164-D173 WeakPolarHBondContact CD1-OD1 3.41Å; L164-D173 VanDerWaalsContact CG-OD1 3.25Å; L164-D173 WeakPolarHBondContact CG-OD1 3.24Å; L164-D173 PolarHBondContact N-OD1 3.46Å; L164-L176 HydrophobicContact CD1-CB 4.24Å; L164-L176 HydrophobicContact CD1-CD2 3.89Å; L164-L176 HydrophobicContact CD2-CD2 4.04Å; L164-L176 HydrophobicContact CG-CD2 4.38Å; L164-Y205 HydrophobicContact CG-CE2 4.26Å
165	D	98.6	Very high	98.1	Very high	16 Å²	16	52 Å²	52	9%	0.086	23%	0.227	C	C	.	.	S	Bend	trans	-108.4	-7.3	-170	-154.6	73.4	0	0	0	113.9	P96 R97 Y98 S101 H148 F163 T170	P96-D165 HydrophobicContact CB-CB 4.07Å; P96-D165 WeakPolarHBondContact CB-OD1 3.26Å; R97-D165 VanDerWaalsContact CB-OD2 3.25Å; R97-D165 WeakPolarHBondContact CB-OD2 3.25Å; R97-D165 VanDerWaalsContact N-CG 3.34Å; R97-D165 PolarHBondContact N-OD1 3.31Å; R97-D165 PolarHBondContact N-OD2 3.04Å; Y98-D165 VanDerWaalsContact CD2-OD1 3.27Å; Y98-D165 WeakPolarHBondContact CD2-OD1 3.33Å; Y98-D165 PolarHBondContact N-OD1 3.25Å; S101-D165 VanDerWaalsContact CB-OD1 3.29Å; S101-D165 WeakPolarHBondContact CB-OD1 3.49Å; S101-D165 PolarHBondContact OG-OD1 3.29Å; H148-D165 PolarHBondContact CE1-O 3.02Å; F163-D165 VanDerWaalsContact C-N 3.3Å; F163-D165 PolarHBondContact O-N 3.1Å; D165-T170 HydrophobicContact CB-CG2 3.76Å
166	G	98.3	Very high	98.2	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	20%	0.199	C	C	.	.	S	Bend	trans	158.8	-148.1	-175.4	0	0	0	0	0	112.1	F163	F163-G166 CarbonylContact C-O 3.59Å; F163-G166 WeakPolarHBondContact CA-O 3.37Å; F163-G166 WeakPolarHBondContact CB-O 3.48Å; F163-G166 PolarHBondContact N-O 2.94Å
167	D	97.9	Very high	98.2	Very high	97 Å²	97	45 Å²	45	52%	0.519	19%	0.194	S	C	.	.	S	Bend	trans	-94.9	3.4	-177.7	-73.5	-21.4	0	0	0	114.7	R161 R162 F163	R161-D167 WeakPolarHBondContact CA-OD1 3.19Å; R162-D167 WeakPolarHBondContact CG-OD1 3.37Å; R162-D167 PolarHBondContact N-OD1 2.96Å; F163-D167 WeakPolarHBondContact CE2-O 3.5Å
168	R	97.8	Very high	98.3	Very high	212 Å²	212	35 Å²	35	80%	0.8	16%	0.157	S	C	*	.	S	Bend	trans	-118.5	146.2	173.3	-63.2	-173.7	179.1	-162.6	-0.7	110.4	F163	F163-R168 VanDerWaalsContact CD2-C 3.47Å
169	L	98.7	Very high	98.4	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.058	15%	0.153	C	C	.	.			trans	-65.7	140.7	173.4	-71	169.6	0	0	0	110.7	L34 F163 D173 L177 E212 E214	L34-L169 HydrophobicContact CD1-CB 3.77Å; L34-L169 HydrophobicContact CD1-CD1 4.43Å; L34-L169 HydrophobicContact CD2-CB 3.87Å; L34-L169 HydrophobicContact CD2-CD1 4.05Å; L34-L169 HydrophobicContact CG-CB 4.5Å; F163-L169 HydrophobicContact CD1-CD2 3.49Å; F163-L169 VanDerWaalsContact CD1-CD2 3.49Å; F163-L169 HydrophobicContact CD1-CG 4.27Å; F163-L169 HydrophobicContact CD2-CD2 4.24Å; F163-L169 HydrophobicContact CD2-CG 4.23Å; F163-L169 HydrophobicContact CE1-CD2 3.64Å; F163-L169 HydrophobicContact CE1-CG 4.16Å; F163-L169 HydrophobicContact CE2-CD2 4.36Å; F163-L169 HydrophobicContact CE2-CG 4.1Å; F163-L169 HydrophobicContact CG-CD2 3.82Å; F163-L169 HydrophobicContact CG-CG 4.31Å; F163-L169 HydrophobicContact CZ-CD2 4.09Å; F163-L169 HydrophobicContact CZ-CG 4.08Å; L169-D173 HydrophobicContact CD2-CB 3.57Å; L169-L177 HydrophobicContact CD2-CD1 3.66Å; L169-E212 HydrophobicContact CD1-CB 4.13Å; L169-E212 HydrophobicContact CD1-CG 4.11Å; L169-E214 HydrophobicContact CD1-CB 4.42Å
170	T	98.7	Very high	98.4	Very high	11 Å²	11	34.4 Å²	34.4	7%	0.067	15%	0.153	C	C	.	.			trans	-123.9	176.5	178.4	63.2	0	0	0	0	111.2	L94 P96 D165 A172 D173 C174	L94-T170 CarbonylContact O-C 3.46Å; L94-T170 VanDerWaalsContact O-CA 3.3Å; L94-T170 WeakPolarHBondContact O-CA 3.42Å; L94-T170 VanDerWaalsContact O-CB 3.25Å; L94-T170 WeakPolarHBondContact O-CB 3.27Å; P96-T170 HydrophobicContact CB-CG2 4.36Å; D165-T170 HydrophobicContact CB-CG2 3.76Å; T170-A172 PolarHBondContact O-N 2.88Å; T170-A172 PolarHBondContact OG1-N 3.28Å; T170-D173 PolarHBondContact N-OD2 3.25Å; T170-D173 WeakPolarHBondContact O-CB 3.48Å; T170-D173 PolarHBondContact O-N 3.42Å; T170-D173 VanDerWaalsContact O-N 3.08Å; T170-D173 PolarHBondContact OG1-OD2 2.96Å; T170-C174 PolarHBondContact O-N 3.4Å; T170-C174 PolarHBondContact O-SG 3.24Å
171	L	98.6	Very high	98.4	Very high	14 Å²	14	28 Å²	28	7%	0.073	13%	0.129	C	C	.	.	H	α-helix	trans	-57.4	-34.6	171.6	-63.9	-179.7	0	0	0	112.2	V31 E79 E83 L94 D173 C174 S175	V31-L171 HydrophobicContact CG1-CD2 4.23Å; V31-L171 HydrophobicContact CG2-CD2 3.67Å; E79-L171 HydrophobicContact CG-CD1 3.97Å; E79-L171 HydrophobicContact CG-CD2 3.76Å; E79-L171 HydrophobicContact CG-CG 4.37Å; E83-L171 HydrophobicContact CB-CD1 4.49Å; E83-L171 HydrophobicContact CG-CD1 4.46Å; L94-L171 HydrophobicContact CB-CD2 3.81Å; L94-L171 HydrophobicContact CB-CG 3.8Å; L94-L171 HydrophobicContact CD1-CD2 4.24Å; L94-L171 PolarHBondContact O-N 2.83Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 2.96Å; L171-C174 PolarHBondContact O-N 3.49Å; L171-S175 PolarHBondContact O-N 3.41Å
172	A	98.5	Very high	98.4	Very high	7 Å²	7	28 Å²	28	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-41.1	175.6	0	0	0	0	0	111.5	P96 S101 L164 T170 S175 L176	P96-A172 HydrophobicContact CG-CB 4.28Å; S101-A172 WeakPolarHBondContact O-CB 3.19Å; L164-A172 HydrophobicContact CD1-CB 3.74Å; T170-A172 PolarHBondContact O-N 2.88Å; T170-A172 PolarHBondContact OG1-N 3.28Å; A172-S175 PolarHBondContact O-N 3.34Å; A172-L176 PolarHBondContact O-N 3.34Å
173	D	98.8	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-42.7	177.3	-57.9	-68.9	0	0	0	111.7	L164 L169 T170 L171 S175 L176 L177 Y205	L164-D173 WeakPolarHBondContact CB-OD1 3.41Å; L164-D173 WeakPolarHBondContact CD1-OD1 3.41Å; L164-D173 VanDerWaalsContact CG-OD1 3.25Å; L164-D173 WeakPolarHBondContact CG-OD1 3.24Å; L164-D173 PolarHBondContact N-OD1 3.46Å; L169-D173 HydrophobicContact CD2-CB 3.57Å; T170-D173 PolarHBondContact N-OD2 3.25Å; T170-D173 WeakPolarHBondContact O-CB 3.48Å; T170-D173 PolarHBondContact O-N 3.42Å; T170-D173 VanDerWaalsContact O-N 3.08Å; T170-D173 PolarHBondContact OG1-OD2 2.96Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 2.96Å; D173-S175 PolarHBondContact O-N 3.38Å; D173-L176 PolarHBondContact O-N 3.43Å; D173-L177 HydrophobicContact CB-CD1 4Å; D173-L177 VanDerWaalsContact O-CB 3.32Å; D173-L177 WeakPolarHBondContact O-CB 3.28Å; D173-L177 WeakPolarHBondContact O-CG 3.35Å; D173-L177 PolarHBondContact O-N 2.83Å; D173-Y205 WeakPolarHBondContact CA-OH 3.44Å; D173-Y205 WeakPolarHBondContact OD1-CE2 3.4Å; D173-Y205 PolarHBondContact OD1-OH 3.48Å
174	C	98.6	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-31.9	175.7	-60.8	0	0	0	0	112.1	R27 M30 V31 L34 T170 L171 P178	R27-C174 WeakPolarHBondContact CA-O 3.27Å; R27-C174 VanDerWaalsContact CB-O 3.3Å; R27-C174 WeakPolarHBondContact CB-O 3.34Å; R27-C174 HydrophobicContact CG-CB 4.08Å; R27-C174 WeakPolarHBondContact CG-O 3.16Å; M30-C174 HydrophobicContact CB-CB 4.29Å; V31-C174 HydrophobicContact CG2-CB 3.96Å; L34-C174 WeakPolarHBondContact CD1-SG 3.21Å; T170-C174 PolarHBondContact O-N 3.4Å; T170-C174 PolarHBondContact O-SG 3.24Å; L171-C174 PolarHBondContact O-N 3.49Å; C174-P178 WeakPolarHBondContact O-CD 3.23Å; C174-P178 WeakPolarHBondContact O-CG 3.24Å
175	S	98.1	Very high	98.3	Very high	30 Å²	30	26.9 Å²	26.9	21%	0.21	13%	0.13	C	C	.	.	H	α-helix	trans	-77.6	-37.7	176.9	-175.5	0	0	0	0	113.5	L171 A172 D173 K179	L171-S175 PolarHBondContact O-N 3.41Å; A172-S175 PolarHBondContact O-N 3.34Å; D173-S175 PolarHBondContact O-N 3.38Å; S175-K179 WeakPolarHBondContact O-CD 3.36Å
176	L	98.6	Very high	98.2	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-89.7	-45.3	-173	-177.4	61	0	0	0	113.4	L138 L164 A172 D173 K179 L180 Y205	L138-L176 HydrophobicContact CD1-CD2 3.84Å; L138-L176 HydrophobicContact CD2-CD2 3.94Å; L164-L176 HydrophobicContact CD1-CB 4.24Å; L164-L176 HydrophobicContact CD1-CD2 3.89Å; L164-L176 HydrophobicContact CD2-CD2 4.04Å; L164-L176 HydrophobicContact CG-CD2 4.38Å; A172-L176 PolarHBondContact O-N 3.34Å; D173-L176 PolarHBondContact O-N 3.43Å; L176-K179 WeakPolarHBondContact O-CB 3.25Å; L176-K179 PolarHBondContact O-N 3.28Å; L176-K179 VanDerWaalsContact O-N 3.13Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 PolarHBondContact O-N 3.02Å; L176-Y205 HydrophobicContact CD2-CE1 3.95Å; L176-Y205 HydrophobicContact CG-CE1 4.4Å
177	L	98.6	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-45.9	-171.4	-75.2	169.3	0	0	0	114	M30 L169 D173 K179 L180 H181 Y205 L206 A209 F215	M30-L177 HydrophobicContact CE-CD1 3.99Å; L169-L177 HydrophobicContact CD2-CD1 3.66Å; D173-L177 HydrophobicContact CB-CD1 4Å; D173-L177 VanDerWaalsContact O-CB 3.32Å; D173-L177 WeakPolarHBondContact O-CB 3.28Å; D173-L177 WeakPolarHBondContact O-CG 3.35Å; D173-L177 PolarHBondContact O-N 2.83Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 3.24Å; L177-L180 PolarHBondContact O-N 3.16Å; L177-H181 WeakPolarHBondContact O-CB 3.31Å; L177-H181 PolarHBondContact O-N 3.03Å; L177-Y205 HydrophobicContact CD2-CD1 3.98Å; L177-Y205 HydrophobicContact CD2-CE1 3.38Å; L177-Y205 HydrophobicContact CD2-CE2 4Å; L177-Y205 VanDerWaalsContact CD2-CZ 3.43Å; L177-Y205 HydrophobicContact CG-CE1 4Å; L177-Y205 HydrophobicContact CG-CE2 4.36Å; L177-Y205 WeakPolarHBondContact CG-OH 3.43Å; L177-L206 HydrophobicContact CD2-CD2 4.47Å; L177-A209 HydrophobicContact CD1-CB 3.74Å; L177-A209 HydrophobicContact CD2-CB 3.47Å; L177-A209 VanDerWaalsContact CD2-CB 3.47Å; L177-A209 HydrophobicContact CG-CB 4.23Å; L177-F215 HydrophobicContact CB-CD2 3.86Å; L177-F215 HydrophobicContact CB-CE2 3.55Å; L177-F215 HydrophobicContact CB-CZ 4.25Å; L177-F215 HydrophobicContact CD1-CD2 4.27Å
178	P	98.4	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.4	-43.3	176.6	-28.2	37.6	0	0	0	112.3	P23 Q26 M30 C174 I182	P23-P178 HydrophobicContact CB-CB 4.18Å; Q26-P178 HydrophobicContact CB-CB 4.1Å; Q26-P178 HydrophobicContact CB-CG 4.05Å; Q26-P178 HydrophobicContact CG-CB 4.14Å; Q26-P178 HydrophobicContact CG-CG 3.82Å; M30-P178 HydrophobicContact SD-CG 4.03Å; C174-P178 WeakPolarHBondContact O-CD 3.23Å; C174-P178 WeakPolarHBondContact O-CG 3.24Å; P178-I182 WeakPolarHBondContact O-CD1 3.28Å; P178-I182 WeakPolarHBondContact O-CG1 3.34Å; P178-I182 PolarHBondContact O-N 3.37Å
179	K	98.3	Very high	98	Very high	63 Å²	63	18.3 Å²	18.3	27%	0.274	10%	0.101	S	C	.	.	H	α-helix	trans	-68.3	-45.9	179.9	-68.1	172.9	-171.1	160.5	0	111.2	P23 F109 S175 L176 L177 H181 I182 V183	P23-K179 HydrophobicContact CB-CG 4.27Å; F109-K179 HydrophobicContact CB-CB 4.11Å; F109-K179 HydrophobicContact CB-CD 4.01Å; F109-K179 HydrophobicContact CB-CG 4.32Å; F109-K179 HydrophobicContact CD1-CD 4.46Å; F109-K179 HydrophobicContact CD1-CG 4.42Å; F109-K179 HydrophobicContact CD2-CB 3.51Å; F109-K179 HydrophobicContact CD2-CD 4.49Å; F109-K179 HydrophobicContact CD2-CG 3.89Å; F109-K179 HydrophobicContact CE2-CB 4.08Å; F109-K179 HydrophobicContact CE2-CG 4.25Å; F109-K179 HydrophobicContact CG-CB 3.93Å; F109-K179 HydrophobicContact CG-CD 4.08Å; F109-K179 HydrophobicContact CG-CG 3.96Å; S175-K179 WeakPolarHBondContact O-CD 3.36Å; L176-K179 WeakPolarHBondContact O-CB 3.25Å; L176-K179 PolarHBondContact O-N 3.28Å; L176-K179 VanDerWaalsContact O-N 3.13Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 3.24Å; K179-H181 PolarHBondContact O-N 3.37Å; K179-I182 WeakPolarHBondContact O-CB 3.32Å; K179-I182 PolarHBondContact O-N 2.92Å; K179-V183 WeakPolarHBondContact O-CG2 3.28Å; K179-V183 PolarHBondContact O-N 3.2Å
180	L	98.3	Very high	97.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-37.6	-176.7	-170.1	65	0	0	0	112	V108 L135 L138 L176 L177 I182 V183 D184 I195 V202 Y205 L206	V108-L180 HydrophobicContact CG1-CD1 4.19Å; L135-L180 HydrophobicContact CD2-CD1 3.84Å; L138-L180 HydrophobicContact CD2-CD1 4.29Å; L138-L180 HydrophobicContact CD2-CD2 4.18Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 PolarHBondContact O-N 3.02Å; L177-L180 PolarHBondContact O-N 3.16Å; L180-I182 VanDerWaalsContact C-N 3.34Å; L180-I182 PolarHBondContact O-N 2.88Å; L180-V183 WeakPolarHBondContact O-CB 3.45Å; L180-V183 PolarHBondContact O-N 2.74Å; L180-D184 PolarHBondContact O-N 3.39Å; L180-I195 HydrophobicContact CD1-CD1 3.86Å; L180-I195 HydrophobicContact CG-CD1 4.28Å; L180-V202 HydrophobicContact CD1-CG1 4.44Å; L180-V202 HydrophobicContact CD2-CG1 4.09Å; L180-Y205 HydrophobicContact CD2-CD1 3.76Å; L180-Y205 HydrophobicContact CD2-CE1 3.92Å; L180-L206 HydrophobicContact CB-CD2 4.37Å; L180-L206 HydrophobicContact CD2-CD1 4.28Å; L180-L206 HydrophobicContact CD2-CD2 3.82Å; L180-L206 HydrophobicContact CD2-CG 3.92Å; L180-L206 HydrophobicContact CG-CD1 4.27Å; L180-L206 HydrophobicContact CG-CD2 3.95Å; L180-L206 HydrophobicContact CG-CG 4.31Å
181	H	97.8	Very high	97.5	Very high	24 Å²	24	20.3 Å²	20.3	11%	0.111	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-37.4	174.8	-178.1	62.4	0	0	0	112.8	L177 K179 D184 T185 F215	L177-H181 WeakPolarHBondContact O-CB 3.31Å; L177-H181 PolarHBondContact O-N 3.03Å; K179-H181 PolarHBondContact O-N 3.37Å; H181-D184 PolarHBondContact O-N 3.36Å; H181-T185 VanDerWaalsContact O-CB 3.28Å; H181-T185 WeakPolarHBondContact O-CB 3.44Å; H181-T185 PolarHBondContact O-N 3.48Å; H181-T185 PolarHBondContact O-OG1 3.14Å; H181-F215 HydrophobicContact CB-CZ 3.78Å
182	I	97.8	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-45.7	171	-68.6	161	0	0	0	110.7	H21 P23 F109 F112 P178 K179 L180 D184 T185 V186 I225 Y229	H21-I182 VanDerWaalsContact NE2-CD1 3.32Å; H21-I182 WeakPolarHBondContact NE2-CD1 3.35Å; P23-I182 HydrophobicContact CB-CD1 4.38Å; P23-I182 HydrophobicContact CG-CD1 3.56Å; F109-I182 HydrophobicContact CE2-CB 4.24Å; F109-I182 HydrophobicContact CE2-CD1 4.38Å; F109-I182 HydrophobicContact CE2-CG2 4.03Å; F112-I182 HydrophobicContact CE1-CG2 3.88Å; F112-I182 HydrophobicContact CZ-CG2 4.04Å; P178-I182 WeakPolarHBondContact O-CD1 3.28Å; P178-I182 WeakPolarHBondContact O-CG1 3.34Å; P178-I182 PolarHBondContact O-N 3.37Å; K179-I182 WeakPolarHBondContact O-CB 3.32Å; K179-I182 PolarHBondContact O-N 2.92Å; L180-I182 VanDerWaalsContact C-N 3.34Å; L180-I182 PolarHBondContact O-N 2.88Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-D184 PolarHBondContact O-N 3.22Å; I182-T185 PolarHBondContact O-N 3.23Å; I182-V186 HydrophobicContact CG2-CG2 3.84Å; I182-V186 VanDerWaalsContact O-CB 3.25Å; I182-V186 WeakPolarHBondContact O-CB 3.4Å; I182-V186 VanDerWaalsContact O-CG2 3.23Å; I182-V186 WeakPolarHBondContact O-CG2 3.48Å; I182-V186 PolarHBondContact O-N 2.94Å; I182-I225 HydrophobicContact CB-CG2 4.46Å; I182-I225 HydrophobicContact CG1-CD1 4.45Å; I182-I225 HydrophobicContact CG1-CG2 4.02Å; I182-I225 HydrophobicContact CG2-CG2 4.22Å; I182-Y229 HydrophobicContact CG2-CD2 4.39Å; I182-Y229 HydrophobicContact CG2-CE2 3.49Å; I182-Y229 VanDerWaalsContact CG2-CE2 3.49Å
183	V	98.2	Very high	97	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-55.3	-50.7	177.3	177.9	0	0	0	0	110.7	V108 F109 F112 L131 K179 L180 C187	V108-V183 HydrophobicContact CG1-CG2 4.25Å; F109-V183 HydrophobicContact CD2-CG2 4.14Å; F112-V183 HydrophobicContact CB-CG1 4.25Å; F112-V183 HydrophobicContact CB-CG2 3.66Å; F112-V183 HydrophobicContact CD1-CG2 3.82Å; F112-V183 HydrophobicContact CD2-CB 4.26Å; F112-V183 HydrophobicContact CD2-CG1 4.01Å; F112-V183 HydrophobicContact CD2-CG2 4.06Å; F112-V183 HydrophobicContact CE1-CG2 4.45Å; F112-V183 HydrophobicContact CG-CB 4.27Å; F112-V183 HydrophobicContact CG-CG1 4.24Å; F112-V183 HydrophobicContact CG-CG2 3.57Å; L131-V183 HydrophobicContact CD1-CG1 4.26Å; L131-V183 HydrophobicContact CD2-CG1 4.33Å; K179-V183 WeakPolarHBondContact O-CG2 3.28Å; K179-V183 PolarHBondContact O-N 3.2Å; L180-V183 WeakPolarHBondContact O-CB 3.45Å; L180-V183 PolarHBondContact O-N 2.74Å; V183-C187 WeakPolarHBondContact O-CB 3.18Å; V183-C187 PolarHBondContact O-N 3.1Å; V183-C187 PolarHBondContact O-SG 3Å
184	D	97.5	Very high	96.8	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-47.3	-178.4	-162	42.1	0	0	0	111.8	L180 H181 I182 A188 I195 R203 L206	L180-D184 PolarHBondContact O-N 3.39Å; H181-D184 PolarHBondContact O-N 3.36Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-D184 PolarHBondContact O-N 3.22Å; D184-A188 WeakPolarHBondContact O-CB 3.28Å; D184-A188 PolarHBondContact O-N 3.4Å; D184-I195 HydrophobicContact CB-CD1 3.83Å; D184-I195 HydrophobicContact CB-CG1 4.12Å; D184-I195 WeakPolarHBondContact OD1-CB 3.31Å; D184-I195 WeakPolarHBondContact OD1-CG1 3.28Å; D184-I195 PolarHBondContact OD1-N 3.29Å; D184-R203 VanDerWaalsContact CG-NH1 3.32Å; D184-R203 IonicContact OD1-CZ 2.69Å; D184-R203 IonicContact OD1-NH1 2.83Å; D184-R203 PolarHBondContact OD1-NH1 3.29Å; D184-R203 IonicContact OD1-NH2 3.2Å; D184-R203 PolarHBondContact OD1-NH2 3.12Å; D184-R203 IonicContact OD2-CZ 2.8Å; D184-R203 IonicContact OD2-NH1 3.65Å; D184-R203 PolarHBondContact OD2-NH1 3.43Å; D184-R203 IonicContact OD2-NH2 3.27Å; D184-L206 HydrophobicContact CB-CD1 4.41Å
185	T	97.2	Very high	96.7	Very high	22 Å²	22	31.9 Å²	31.9	14%	0.135	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-48.7	-177.8	-59.6	0	0	0	0	112.2	H181 I182 H189 I225 L226	H181-T185 VanDerWaalsContact O-CB 3.28Å; H181-T185 WeakPolarHBondContact O-CB 3.44Å; H181-T185 PolarHBondContact O-N 3.48Å; H181-T185 PolarHBondContact O-OG1 3.14Å; I182-T185 PolarHBondContact O-N 3.23Å; T185-H189 PolarHBondContact O-N 2.93Å; T185-H189 VanDerWaalsContact O-N 3.16Å; T185-I225 HydrophobicContact CG2-CG2 4.46Å; T185-L226 HydrophobicContact CG2-CD2 4.12Å; T185-L226 HydrophobicContact CG2-CG 4.35Å
186	V	97.3	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.5	-42.4	-174.8	177.9	0	0	0	0	110.8	F112 I116 I182 H189 F190 I225 Y229	F112-V186 HydrophobicContact CE2-CB 3.99Å; F112-V186 HydrophobicContact CE2-CG1 3.98Å; F112-V186 HydrophobicContact CZ-CB 3.77Å; F112-V186 HydrophobicContact CZ-CG1 3.78Å; F112-V186 HydrophobicContact CZ-CG2 4.24Å; I116-V186 HydrophobicContact CD1-CG1 3.88Å; I116-V186 HydrophobicContact CG1-CG1 3.68Å; I182-V186 HydrophobicContact CG2-CG2 3.84Å; I182-V186 VanDerWaalsContact O-CB 3.25Å; I182-V186 WeakPolarHBondContact O-CB 3.4Å; I182-V186 VanDerWaalsContact O-CG2 3.23Å; I182-V186 WeakPolarHBondContact O-CG2 3.48Å; I182-V186 PolarHBondContact O-N 2.94Å; V186-H189 PolarHBondContact O-N 3.11Å; V186-F190 HydrophobicContact CG1-CD2 3.64Å; V186-F190 HydrophobicContact CG1-CE2 4.17Å; V186-F190 PolarHBondContact O-N 3.05Å; V186-I225 HydrophobicContact CG2-CG2 3.72Å; V186-Y229 HydrophobicContact CG1-CD1 3.94Å; V186-Y229 HydrophobicContact CG1-CG 3.95Å; V186-Y229 HydrophobicContact CG2-CD1 4.41Å; V186-Y229 HydrophobicContact CG2-CD2 3.75Å; V186-Y229 HydrophobicContact CG2-CE2 4.16Å; V186-Y229 HydrophobicContact CG2-CG 3.89Å
187	C	96.3	Very high	96.6	Very high	2 Å²	2	36 Å²	36	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-36.8	177.2	-68.7	0	0	0	0	112.3	F112 V183 R191 Q192 A193	F112-C187 VanDerWaalsContact CD2-SG 3.57Å; V183-C187 WeakPolarHBondContact O-CB 3.18Å; V183-C187 PolarHBondContact O-N 3.1Å; V183-C187 PolarHBondContact O-SG 3Å; C187-R191 CarbonylContact O-C 3.54Å; C187-R191 WeakPolarHBondContact O-CA 3.46Å; C187-R191 WeakPolarHBondContact O-CB 3.4Å; C187-R191 PolarHBondContact O-N 3.44Å; C187-R191 VanDerWaalsContact O-N 3.16Å; C187-Q192 PolarHBondContact O-N 3.16Å; C187-A193 WeakPolarHBondContact CB-O 3.47Å; C187-A193 PolarHBondContact O-N 3.48Å; C187-A193 VanDerWaalsContact O-N 3.08Å
188	A	96.5	Very high	96.5	Very high	44 Å²	44	38.6 Å²	38.6	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-47	173.3	0	0	0	0	0	111.5	D184 Q192 P194	D184-A188 WeakPolarHBondContact O-CB 3.28Å; D184-A188 PolarHBondContact O-N 3.4Å; A188-Q192 WeakPolarHBondContact O-CA 3.44Å; A188-Q192 PolarHBondContact O-N 3.49Å; A188-P194 HydrophobicContact CB-CB 3.98Å
189	H	96.4	Very high	96.5	Very high	107 Å²	107	39.8 Å²	39.8	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-75.5	-51.3	-175.3	-172.3	82.1	0	0	0	113.7	T185 V186 L226	T185-H189 PolarHBondContact O-N 2.93Å; T185-H189 VanDerWaalsContact O-N 3.16Å; V186-H189 PolarHBondContact O-N 3.11Å; H189-L226 HydrophobicContact CB-CD1 4.17Å; H189-L226 HydrophobicContact CB-CD2 3.42Å; H189-L226 VanDerWaalsContact CB-CD2 3.42Å; H189-L226 HydrophobicContact CB-CG 4.44Å
190	F	95.4	Very high	96.5	Very high	44 Å²	44	45.1 Å²	45.1	19%	0.193	25%	0.254	C	S	.	.	H	α-helix	trans	-92.5	-14.6	-169.2	-71.7	-73.3	0	0	0	114.7	I116 V186 L226 R230 V233	I116-F190 HydrophobicContact CD1-CB 4.19Å; V186-F190 HydrophobicContact CG1-CD2 3.64Å; V186-F190 HydrophobicContact CG1-CE2 4.17Å; V186-F190 PolarHBondContact O-N 3.05Å; F190-L226 HydrophobicContact CD2-CD2 4.18Å; F190-L226 HydrophobicContact CE2-CB 4.43Å; F190-L226 HydrophobicContact CE2-CD2 3.74Å; F190-R230 HydrophobicContact CZ-CB 4.26Å; F190-V233 HydrophobicContact CB-CG1 3.91Å; F190-V233 HydrophobicContact CB-CG2 4.3Å; F190-V233 HydrophobicContact CD1-CB 4.08Å; F190-V233 HydrophobicContact CD1-CG1 3.68Å; F190-V233 HydrophobicContact CD1-CG2 4.05Å; F190-V233 HydrophobicContact CD2-CG2 3.92Å; F190-V233 HydrophobicContact CE1-CB 4.32Å; F190-V233 HydrophobicContact CE1-CG1 4.37Å; F190-V233 HydrophobicContact CE1-CG2 4.29Å; F190-V233 HydrophobicContact CE2-CG2 4.15Å; F190-V233 HydrophobicContact CG-CB 4.31Å; F190-V233 HydrophobicContact CG-CG1 3.9Å; F190-V233 HydrophobicContact CG-CG2 3.83Å; F190-V233 HydrophobicContact CZ-CG2 4.33Å
191	R	92.5	Very high	96.5	Very high	20 Å²	20	45 Å²	45	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-129.6	-2.4	-175	-61.8	-67.5	-178.8	-110.1	10.6	113.3	F115 I116 C187 A193 H234 R236	F115-R191 HydrophobicContact CE1-CB 4.34Å; F115-R191 HydrophobicContact CE1-CG 3.92Å; F115-R191 HydrophobicContact CZ-CB 4.27Å; F115-R191 HydrophobicContact CZ-CG 3.92Å; I116-R191 HydrophobicContact CD1-CG 3.81Å; C187-R191 CarbonylContact O-C 3.54Å; C187-R191 WeakPolarHBondContact O-CA 3.46Å; C187-R191 WeakPolarHBondContact O-CB 3.4Å; C187-R191 PolarHBondContact O-N 3.44Å; C187-R191 VanDerWaalsContact O-N 3.16Å; R191-A193 HydrophobicContact CB-CB 4.08Å; R191-A193 PolarHBondContact O-N 3.3Å; R191-A193 VanDerWaalsContact O-N 3.1Å; R191-H234 PolarHBondContact NH1-O 3.14Å; R191-H234 PolarHBondContact NH2-O 3.13Å; R191-H234 VanDerWaalsContact NH2-O 3.08Å; R191-R236 VanDerWaalsContact CD-CZ 3.46Å
192	Q	93.7	Very high	96.6	Very high	180 Å²	180	43.9 Å²	43.9	84%	0.841	25%	0.249	S	C	*	.	S	Bend	trans	51.5	30.8	-174.3	-58.5	171	32.5	0	0	111.8	C187 A188	C187-Q192 PolarHBondContact O-N 3.16Å; A188-Q192 WeakPolarHBondContact O-CA 3.44Å; A188-Q192 PolarHBondContact O-N 3.49Å
193	A	93	Very high	96.6	Very high	19 Å²	19	46.1 Å²	46.1	16%	0.157	26%	0.257	C	S	.	.			trans	-131	64.4	-171	0	0	0	0	0	109.7	Y128 C187 R191	Y128-A193 HydrophobicContact CE2-CB 3.99Å; C187-A193 WeakPolarHBondContact CB-O 3.47Å; C187-A193 PolarHBondContact O-N 3.48Å; C187-A193 VanDerWaalsContact O-N 3.08Å; R191-A193 HydrophobicContact CB-CB 4.08Å; R191-A193 PolarHBondContact O-N 3.3Å; R191-A193 VanDerWaalsContact O-N 3.1Å
194	P	94.1	Very high	96.6	Very high	60 Å²	60	49.2 Å²	49.2	39%	0.39	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-60.1	167.2	174.4	30.8	-36.8	0	0	0	110.4	A188 P196	A188-P194 HydrophobicContact CB-CB 3.98Å; P194-P196 WeakPolarHBondContact O-CD 3.33Å
195	I	96.8	Very high	96.7	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.261	C	S	.	.	S	Bend	trans	-53.6	126.4	174.8	-66.1	175.1	0	0	0	109.3	L135 L180 D184 A197 L199 V202 R203 L206	L135-I195 HydrophobicContact CD1-CG1 4.14Å; L135-I195 HydrophobicContact CD2-CD1 4.12Å; L135-I195 HydrophobicContact CD2-CG1 4.36Å; L180-I195 HydrophobicContact CD1-CD1 3.86Å; L180-I195 HydrophobicContact CG-CD1 4.28Å; D184-I195 HydrophobicContact CB-CD1 3.83Å; D184-I195 HydrophobicContact CB-CG1 4.12Å; D184-I195 WeakPolarHBondContact OD1-CB 3.31Å; D184-I195 WeakPolarHBondContact OD1-CG1 3.28Å; D184-I195 PolarHBondContact OD1-N 3.29Å; I195-A197 PolarHBondContact O-N 3.13Å; I195-L199 HydrophobicContact CG2-CB 4.46Å; I195-L199 HydrophobicContact CG2-CD1 4.12Å; I195-V202 HydrophobicContact CD1-CG1 4.14Å; I195-V202 HydrophobicContact CG2-CB 4.46Å; I195-V202 HydrophobicContact CG2-CG1 3.92Å; I195-R203 PolarHBondContact O-NE 3.45Å; I195-R203 VanDerWaalsContact O-NE 3.1Å; I195-R203 PolarHBondContact O-NH2 3.48Å; I195-L206 HydrophobicContact CD1-CD1 3.83Å
196	P	97.4	Very high	96.7	Very high	44 Å²	44	47 Å²	47	29%	0.286	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-59	137.2	-173.2	-28	34.6	0	0	0	113.1	L132 P194 G198 L199	L132-P196 HydrophobicContact CD2-CG 3.63Å; P194-P196 WeakPolarHBondContact O-CD 3.33Å; P196-G198 PolarHBondContact O-N 2.83Å; P196-G198 VanDerWaalsContact O-N 3.1Å; P196-L199 HydrophobicContact CB-CG 4.39Å; P196-L199 HydrophobicContact CG-CD1 4.49Å; P196-L199 WeakPolarHBondContact O-CB 3.45Å; P196-L199 PolarHBondContact O-N 2.83Å
197	A	96.5	Very high	96.8	Very high	84 Å²	84	51 Å²	51	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.8	178.1	0	0	0	0	0	113.5	I195 L199	I195-A197 PolarHBondContact O-N 3.13Å; A197-L199 PolarHBondContact O-N 3.38Å
198	G	97.8	Very high	96.9	Very high	56 Å²	56	51.5 Å²	51.5	58%	0.577	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.2	173	0	0	0	0	0	114.2	P196 R200	P196-G198 PolarHBondContact O-N 2.83Å; P196-G198 VanDerWaalsContact O-N 3.1Å; G198-R200 VanDerWaalsContact C-N 3.27Å; G198-R200 PolarHBondContact O-N 2.92Å
199	L	98.4	Very high	96.9	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	26%	0.263	C	S	.	.			trans	-84.8	71.4	175	-57.1	-177.2	0	0	0	109.9	L135 A136 D139 I195 P196 A197 G201 V202 R203	L135-L199 HydrophobicContact CB-CD1 3.6Å; L135-L199 HydrophobicContact CD1-CD1 4.49Å; A136-L199 HydrophobicContact CB-CD2 4.41Å; D139-L199 HydrophobicContact CB-CB 4.26Å; D139-L199 HydrophobicContact CB-CD2 4.02Å; D139-L199 VanDerWaalsContact OD1-CA 3.3Å; D139-L199 WeakPolarHBondContact OD1-CA 3.38Å; I195-L199 HydrophobicContact CG2-CB 4.46Å; I195-L199 HydrophobicContact CG2-CD1 4.12Å; P196-L199 HydrophobicContact CB-CG 4.39Å; P196-L199 HydrophobicContact CG-CD1 4.49Å; P196-L199 WeakPolarHBondContact O-CB 3.45Å; P196-L199 PolarHBondContact O-N 2.83Å; A197-L199 PolarHBondContact O-N 3.38Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 3.49Å; L199-V202 HydrophobicContact CB-CB 4.23Å; L199-V202 HydrophobicContact CB-CG2 4.33Å; L199-V202 PolarHBondContact O-N 3.37Å; L199-R203 WeakPolarHBondContact O-CG 3.46Å; L199-R203 PolarHBondContact O-N 3.35Å
200	R	98.2	Very high	96.9	Very high	174 Å²	174	48.2 Å²	48.2	66%	0.657	26%	0.26	S	S	*	.	H	α-helix	trans	-63.8	-34.7	-169.3	-64.4	-178.2	-179.7	-176.3	-0.7	113.7	D139 G198 R204	D139-R200 PolarHBondContact OD1-N 3.35Å; G198-R200 VanDerWaalsContact C-N 3.27Å; G198-R200 PolarHBondContact O-N 2.92Å; R200-R204 VanDerWaalsContact O-CB 3.31Å; R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 PolarHBondContact O-N 2.86Å
201	G	98.6	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-46.3	176.3	0	0	0	0	0	111.2	D139 L199 R203 R204 Y205	D139-G201 VanDerWaalsContact OD1-CA 3.28Å; D139-G201 WeakPolarHBondContact OD1-CA 3.45Å; D139-G201 PolarHBondContact OD1-N 3.42Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 3.49Å; G201-R203 VanDerWaalsContact C-N 3.34Å; G201-R203 PolarHBondContact O-N 3.24Å; G201-R204 PolarHBondContact O-N 3.03Å; G201-Y205 WeakPolarHBondContact O-CB 3.3Å; G201-Y205 PolarHBondContact O-N 2.99Å
202	V	98.8	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-41.2	176.3	-178	0	0	0	0	111.4	L138 D139 L142 L180 I195 L199 Y205 L206	L138-V202 HydrophobicContact CB-CG2 4.44Å; L138-V202 HydrophobicContact CD2-CG2 4.22Å; L138-V202 HydrophobicContact CG-CG2 4.1Å; D139-V202 HydrophobicContact CB-CG2 3.78Å; D139-V202 PolarHBondContact OD1-N 3Å; D139-V202 VanDerWaalsContact OD1-N 3.12Å; L142-V202 HydrophobicContact CD1-CG2 4.12Å; L180-V202 HydrophobicContact CD1-CG1 4.44Å; L180-V202 HydrophobicContact CD2-CG1 4.09Å; I195-V202 HydrophobicContact CD1-CG1 4.14Å; I195-V202 HydrophobicContact CG2-CB 4.46Å; I195-V202 HydrophobicContact CG2-CG1 3.92Å; L199-V202 HydrophobicContact CB-CB 4.23Å; L199-V202 HydrophobicContact CB-CG2 4.33Å; L199-V202 PolarHBondContact O-N 3.37Å; V202-Y205 WeakPolarHBondContact O-CB 3.5Å; V202-Y205 PolarHBondContact O-N 2.81Å; V202-L206 HydrophobicContact CG1-CD1 4.36Å; V202-L206 PolarHBondContact O-N 3.4Å
203	R	98.3	Very high	97.4	Very high	51 Å²	51	51.6 Å²	51.6	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-49.8	176.2	-72.4	-58.6	-175.4	-172.1	0.3	112.1	D184 I195 L199 G201 Y205 L206 D207	D184-R203 VanDerWaalsContact CG-NH1 3.32Å; D184-R203 IonicContact OD1-CZ 2.69Å; D184-R203 IonicContact OD1-NH1 2.83Å; D184-R203 PolarHBondContact OD1-NH1 3.29Å; D184-R203 IonicContact OD1-NH2 3.2Å; D184-R203 PolarHBondContact OD1-NH2 3.12Å; D184-R203 IonicContact OD2-CZ 2.8Å; D184-R203 IonicContact OD2-NH1 3.65Å; D184-R203 PolarHBondContact OD2-NH1 3.43Å; D184-R203 IonicContact OD2-NH2 3.27Å; I195-R203 PolarHBondContact O-NE 3.45Å; I195-R203 VanDerWaalsContact O-NE 3.1Å; I195-R203 PolarHBondContact O-NH2 3.48Å; L199-R203 WeakPolarHBondContact O-CG 3.46Å; L199-R203 PolarHBondContact O-N 3.35Å; G201-R203 VanDerWaalsContact C-N 3.34Å; G201-R203 PolarHBondContact O-N 3.24Å; R203-Y205 PolarHBondContact O-N 3.23Å; R203-L206 PolarHBondContact O-N 3.23Å; R203-D207 WeakPolarHBondContact O-CB 3.14Å; R203-D207 PolarHBondContact O-N 2.93Å
204	R	98.6	Very high	97.6	Very high	66 Å²	66	51.9 Å²	51.9	25%	0.249	27%	0.274	C	S	.	.	H	α-helix	trans	-54.3	-41.2	173.8	-176.1	-178	72	-139.7	1.7	112.2	L142 S159 R161 R200 G201 S208	L142-R204 PolarHBondContact O-NH2 3.4Å; S159-R204 PolarHBondContact O-NH1 3.38Å; S159-R204 PolarHBondContact O-NH2 2.84Å; R161-R204 PolarHBondContact O-NE 3.36Å; R161-R204 VanDerWaalsContact O-NE 3.13Å; R161-R204 PolarHBondContact O-NH2 3.33Å; R161-R204 VanDerWaalsContact O-NH2 3.11Å; R200-R204 VanDerWaalsContact O-CB 3.31Å; R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 PolarHBondContact O-N 2.86Å; G201-R204 PolarHBondContact O-N 3.03Å; R204-S208 VanDerWaalsContact O-CB 3.28Å; R204-S208 WeakPolarHBondContact O-CB 3.41Å; R204-S208 PolarHBondContact O-N 3.16Å; R204-S208 PolarHBondContact O-OG 2.81Å
205	Y	98.8	Very high	97.8	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-49.9	178.9	177.8	-126	0	0	0	112.5	L142 R162 F163 L164 D173 L176 L177 L180 G201 V202 R203 S208 A209	L142-Y205 HydrophobicContact CD1-CD1 4.19Å; L142-Y205 HydrophobicContact CD1-CG 4.11Å; L142-Y205 HydrophobicContact CD2-CD2 4.28Å; L142-Y205 HydrophobicContact CD2-CG 4.19Å; R162-Y205 WeakPolarHBondContact O-CD2 3.35Å; F163-Y205 HydrophobicContact CB-CE2 4.15Å; F163-Y205 HydrophobicContact CD1-CD2 4.11Å; F163-Y205 AromaticContact CD1-CE2 3.9Å; F163-Y205 HydrophobicContact CD1-CE2 3.9Å; L164-Y205 HydrophobicContact CG-CE2 4.26Å; D173-Y205 WeakPolarHBondContact CA-OH 3.44Å; D173-Y205 WeakPolarHBondContact OD1-CE2 3.4Å; D173-Y205 PolarHBondContact OD1-OH 3.48Å; L176-Y205 HydrophobicContact CD2-CE1 3.95Å; L176-Y205 HydrophobicContact CG-CE1 4.4Å; L177-Y205 HydrophobicContact CD2-CD1 3.98Å; L177-Y205 HydrophobicContact CD2-CE1 3.38Å; L177-Y205 HydrophobicContact CD2-CE2 4Å; L177-Y205 VanDerWaalsContact CD2-CZ 3.43Å; L177-Y205 HydrophobicContact CG-CE1 4Å; L177-Y205 HydrophobicContact CG-CE2 4.36Å; L177-Y205 WeakPolarHBondContact CG-OH 3.43Å; L180-Y205 HydrophobicContact CD2-CD1 3.76Å; L180-Y205 HydrophobicContact CD2-CE1 3.92Å; G201-Y205 WeakPolarHBondContact O-CB 3.3Å; G201-Y205 PolarHBondContact O-N 2.99Å; V202-Y205 WeakPolarHBondContact O-CB 3.5Å; V202-Y205 PolarHBondContact O-N 2.81Å; R203-Y205 PolarHBondContact O-N 3.23Å; Y205-S208 PolarHBondContact O-N 2.99Å; Y205-A209 PolarHBondContact O-N 3.08Å
206	L	98.3	Very high	97.7	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-43.6	176.5	-76.2	171.6	0	0	0	112.2	L177 L180 D184 I195 V202 R203 S208 A209 L210	L177-L206 HydrophobicContact CD2-CD2 4.47Å; L180-L206 HydrophobicContact CB-CD2 4.37Å; L180-L206 HydrophobicContact CD2-CD1 4.28Å; L180-L206 HydrophobicContact CD2-CD2 3.82Å; L180-L206 HydrophobicContact CD2-CG 3.92Å; L180-L206 HydrophobicContact CG-CD1 4.27Å; L180-L206 HydrophobicContact CG-CD2 3.95Å; L180-L206 HydrophobicContact CG-CG 4.31Å; D184-L206 HydrophobicContact CB-CD1 4.41Å; I195-L206 HydrophobicContact CD1-CD1 3.83Å; V202-L206 HydrophobicContact CG1-CD1 4.36Å; V202-L206 PolarHBondContact O-N 3.4Å; R203-L206 PolarHBondContact O-N 3.23Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.08Å; L206-A209 PolarHBondContact O-N 3.36Å; L206-L210 WeakPolarHBondContact O-CG 3.14Å; L206-L210 PolarHBondContact O-N 2.93Å
207	D	97.9	Very high	97.5	Very high	84 Å²	84	60.9 Å²	60.9	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-36.3	179.4	-65.5	-20.8	0	0	0	111.4	R203 Q211	R203-D207 WeakPolarHBondContact O-CB 3.14Å; R203-D207 PolarHBondContact O-N 2.93Å; D207-Q211 WeakPolarHBondContact O-CG 3.39Å; D207-Q211 PolarHBondContact O-NE2 3.36Å
208	S	98.4	Very high	97.5	Very high	13 Å²	13	56.9 Å²	56.9	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-43.9	174.1	-61.1	0	0	0	0	111.2	R204 Y205 L206 L210 Q211	R204-S208 VanDerWaalsContact O-CB 3.28Å; R204-S208 WeakPolarHBondContact O-CB 3.41Å; R204-S208 PolarHBondContact O-N 3.16Å; R204-S208 PolarHBondContact O-OG 2.81Å; Y205-S208 PolarHBondContact O-N 2.99Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.08Å; S208-L210 PolarHBondContact O-N 3.05Å; S208-Q211 WeakPolarHBondContact O-CB 3.38Å; S208-Q211 PolarHBondContact O-N 2.79Å
209	A	97.9	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-39.1	178.5	0	0	0	0	0	112.6	L177 Y205 L206 Q211 E212 F215	L177-A209 HydrophobicContact CD1-CB 3.74Å; L177-A209 HydrophobicContact CD2-CB 3.47Å; L177-A209 VanDerWaalsContact CD2-CB 3.47Å; L177-A209 HydrophobicContact CG-CB 4.23Å; Y205-A209 PolarHBondContact O-N 3.08Å; L206-A209 PolarHBondContact O-N 3.36Å; A209-Q211 PolarHBondContact O-N 2.62Å; A209-Q211 VanDerWaalsContact O-N 3.15Å; A209-E212 PolarHBondContact O-N 3.1Å; A209-F215 HydrophobicContact CB-CD1 3.86Å; A209-F215 HydrophobicContact CB-CE1 4.28Å; A209-F215 HydrophobicContact CB-CG 4.15Å; A209-F215 WeakPolarHBondContact O-CB 3.47Å; A209-F215 WeakPolarHBondContact O-CD1 3.48Å
210	L	95.7	Very high	97.1	Very high	83 Å²	83	54.8 Å²	54.8	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.1	177.7	-72.2	170.3	0	0	0	113.8	L206 S208 F215	L206-L210 WeakPolarHBondContact O-CG 3.14Å; L206-L210 PolarHBondContact O-N 2.93Å; S208-L210 PolarHBondContact O-N 3.05Å; L210-F215 HydrophobicContact CD2-CD1 4.34Å; L210-F215 HydrophobicContact CD2-CE1 3.96Å; L210-F215 HydrophobicContact CG-CE1 4.48Å
211	Q	96.9	Very high	96.9	Very high	149 Å²	149	52.9 Å²	52.9	70%	0.696	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.6	173.6	-64.4	172.8	38.6	0	0	112.8	D207 S208 A209	D207-Q211 WeakPolarHBondContact O-CG 3.39Å; D207-Q211 PolarHBondContact O-NE2 3.36Å; S208-Q211 WeakPolarHBondContact O-CB 3.38Å; S208-Q211 PolarHBondContact O-N 2.79Å; A209-Q211 PolarHBondContact O-N 2.62Å; A209-Q211 VanDerWaalsContact O-N 3.15Å
212	E	98	Very high	96.7	Very high	42 Å²	42	55.8 Å²	55.8	20%	0.196	26%	0.263	C	S	.	.			trans	-84.9	131.5	178.3	-62.6	-56.6	148.2	0	0	111.3	R162 F163 L169 A209 E214 F215 K216	R162-E212 IonicContact CZ-OE1 3.7Å; R162-E212 IonicContact NH1-OE1 3.63Å; R162-E212 PolarHBondContact NH1-OE1 2.8Å; R162-E212 IonicContact NH2-OE1 3.96Å; R162-E212 PolarHBondContact NH2-OE1 3.27Å; F163-E212 HydrophobicContact CE1-CG 4.19Å; F163-E212 HydrophobicContact CE2-CG 4.44Å; F163-E212 HydrophobicContact CZ-CG 3.53Å; L169-E212 HydrophobicContact CD1-CB 4.13Å; L169-E212 HydrophobicContact CD1-CG 4.11Å; A209-E212 PolarHBondContact O-N 3.1Å; E212-E214 VanDerWaalsContact C-N 3.27Å; E212-E214 PolarHBondContact O-N 3.07Å; E212-F215 PolarHBondContact O-N 2.77Å; E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 3.47Å
213	K	96.8	Very high	96.5	Very high	124 Å²	124	59.3 Å²	59.3	54%	0.539	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-34.9	-179.5	63.4	178.6	-178.6	177.4	0	111.6	F215 K216 Y217	K213-F215 VanDerWaalsContact C-N 3.28Å; K213-F215 PolarHBondContact O-N 2.69Å; K213-K216 PolarHBondContact O-N 2.92Å; K213-Y217 HydrophobicContact CB-CD2 4.06Å; K213-Y217 HydrophobicContact CB-CE2 3.75Å; K213-Y217 VanDerWaalsContact O-CB 3.31Å; K213-Y217 WeakPolarHBondContact O-CB 3.28Å; K213-Y217 WeakPolarHBondContact O-CD2 3.46Å; K213-Y217 VanDerWaalsContact O-CG 3.27Å; K213-Y217 PolarHBondContact O-N 3.36Å
214	E	97.8	Very high	96.3	Very high	24 Å²	24	57.9 Å²	57.9	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-34.6	-178.6	-63.5	80.1	-174.2	0	0	111.2	M30 L33 L34 L169 E212 T218	M30-E214 WeakPolarHBondContact CG-O 3.5Å; L33-E214 HydrophobicContact CB-CB 4.22Å; L33-E214 HydrophobicContact CB-CG 3.84Å; L33-E214 HydrophobicContact CD1-CB 4.47Å; L34-E214 HydrophobicContact CD2-CB 4.25Å; L34-E214 HydrophobicContact CD2-CG 3.77Å; L34-E214 HydrophobicContact CG-CB 4.28Å; L34-E214 HydrophobicContact CG-CG 4.02Å; L169-E214 HydrophobicContact CD1-CB 4.42Å; E212-E214 VanDerWaalsContact C-N 3.27Å; E212-E214 PolarHBondContact O-N 3.07Å; E214-T218 WeakPolarHBondContact O-CB 3.3Å; E214-T218 WeakPolarHBondContact O-CG2 3.42Å; E214-T218 PolarHBondContact O-OG1 3.39Å
215	F	97.8	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-82	-46.9	173.1	-175.6	-112	0	0	0	111.4	Q26 M30 L177 H181 A209 L210 E212 K213 Y217 T218 C219	Q26-F215 VanDerWaalsContact NE2-CE2 3.3Å; M30-F215 HydrophobicContact CE-CB 4.14Å; M30-F215 HydrophobicContact CE-CD2 3.79Å; M30-F215 HydrophobicContact CE-CG 4.45Å; M30-F215 HydrophobicContact SD-CD2 3.77Å; M30-F215 HydrophobicContact SD-CE2 4.45Å; L177-F215 HydrophobicContact CB-CD2 3.86Å; L177-F215 HydrophobicContact CB-CE2 3.55Å; L177-F215 HydrophobicContact CB-CZ 4.25Å; L177-F215 HydrophobicContact CD1-CD2 4.27Å; H181-F215 HydrophobicContact CB-CZ 3.78Å; A209-F215 HydrophobicContact CB-CD1 3.86Å; A209-F215 HydrophobicContact CB-CE1 4.28Å; A209-F215 HydrophobicContact CB-CG 4.15Å; A209-F215 WeakPolarHBondContact O-CB 3.47Å; A209-F215 WeakPolarHBondContact O-CD1 3.48Å; L210-F215 HydrophobicContact CD2-CD1 4.34Å; L210-F215 HydrophobicContact CD2-CE1 3.96Å; L210-F215 HydrophobicContact CG-CE1 4.48Å; E212-F215 PolarHBondContact O-N 2.77Å; K213-F215 VanDerWaalsContact C-N 3.28Å; K213-F215 PolarHBondContact O-N 2.69Å; F215-Y217 PolarHBondContact O-N 2.85Å; F215-T218 PolarHBondContact O-N 3.34Å; F215-T218 PolarHBondContact O-OG1 2.98Å; F215-C219 WeakPolarHBondContact CE1-SG 3.26Å; F215-C219 WeakPolarHBondContact CZ-SG 3.29Å; F215-C219 PolarHBondContact O-N 2.92Å; F215-C219 PolarHBondContact O-SG 2.74Å; F215-C219 VanDerWaalsContact O-SG 3.39Å
216	K	95	Very high	96	Very high	138 Å²	138	55.8 Å²	55.8	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-61.3	-42.4	-175.6	-174.9	177	179	178.9	0	113.6	E212 K213 T218	E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 3.47Å; K213-K216 PolarHBondContact O-N 2.92Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 2.97Å
217	Y	93.7	Very high	95.8	Very high	160 Å²	160	56.5 Å²	56.5	63%	0.627	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.8	-178.7	-63.9	-22.5	0	0	0	113.6	K213 F215	K213-Y217 HydrophobicContact CB-CD2 4.06Å; K213-Y217 HydrophobicContact CB-CE2 3.75Å; K213-Y217 VanDerWaalsContact O-CB 3.31Å; K213-Y217 WeakPolarHBondContact O-CB 3.28Å; K213-Y217 WeakPolarHBondContact O-CD2 3.46Å; K213-Y217 VanDerWaalsContact O-CG 3.27Å; K213-Y217 PolarHBondContact O-N 3.36Å; F215-Y217 PolarHBondContact O-N 2.85Å
218	T	96.1	Very high	95.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.1	-178.5	63.2	0	0	0	0	112.3	Q26 F29 M30 L33 E214 F215 K216	Q26-T218 WeakPolarHBondContact CG-O 3.39Å; Q26-T218 PolarHBondContact NE2-OG1 3.39Å; F29-T218 HydrophobicContact CB-CG2 3.88Å; F29-T218 HydrophobicContact CD1-CG2 3.54Å; F29-T218 HydrophobicContact CD2-CG2 3.75Å; F29-T218 HydrophobicContact CE1-CG2 3.87Å; F29-T218 HydrophobicContact CE2-CG2 4.05Å; F29-T218 HydrophobicContact CG-CG2 3.45Å; F29-T218 VanDerWaalsContact CG-CG2 3.45Å; F29-T218 HydrophobicContact CZ-CG2 4.1Å; M30-T218 HydrophobicContact CG-CG2 4.09Å; M30-T218 VanDerWaalsContact CG-OG1 3.24Å; M30-T218 WeakPolarHBondContact CG-OG1 3.45Å; L33-T218 HydrophobicContact CD1-CG2 3.46Å; L33-T218 VanDerWaalsContact CD1-CG2 3.46Å; E214-T218 WeakPolarHBondContact O-CB 3.3Å; E214-T218 WeakPolarHBondContact O-CG2 3.42Å; E214-T218 PolarHBondContact O-OG1 3.39Å; F215-T218 PolarHBondContact O-N 3.34Å; F215-T218 PolarHBondContact O-OG1 2.98Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 2.97Å
219	C	94.5	Very high	95.3	Very high	28 Å²	28	55.1 Å²	55.1	19%	0.189	28%	0.284	C	S	.	.	S	Bend	trans	-65.5	128.6	174	-85.2	0	0	0	0	111.6	Q26 F215	Q26-C219 PolarHBondContact NE2-SG 3.05Å; F215-C219 WeakPolarHBondContact CE1-SG 3.26Å; F215-C219 WeakPolarHBondContact CZ-SG 3.29Å; F215-C219 PolarHBondContact O-N 2.92Å; F215-C219 PolarHBondContact O-SG 2.74Å; F215-C219 VanDerWaalsContact O-SG 3.39Å
220	P	94.1	Very high	95.1	Very high	10 Å²	10	62.3 Å²	62.3	7%	0.065	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.7	159.6	166.5	30.8	-34.6	0	0	0	110.4	V19 E224 I225	V19-P220 WeakPolarHBondContact O-CB 2.9Å; P220-E224 HydrophobicContact CB-CB 4.47Å; P220-E224 HydrophobicContact CB-CG 4.28Å; P220-I225 HydrophobicContact CG-CD1 4.08Å; P220-I225 HydrophobicContact CG-CG1 3.8Å
221	H	93.1	Very high	95	Very high	134 Å²	134	63.9 Å²	63.9	62%	0.62	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-58.8	142.4	172.4	-71.2	-67.3	0	0	0	111.2	A223 E224 I225	H221-A223 PolarHBondContact O-N 3.17Å; H221-A223 VanDerWaalsContact O-N 3.12Å; H221-E224 VanDerWaalsContact O-CB 3.3Å; H221-E224 WeakPolarHBondContact O-CB 3.48Å; H221-E224 PolarHBondContact O-N 3.41Å; H221-I225 PolarHBondContact O-N 3.07Å
222	S	94.1	Very high	94.6	Very high	61 Å²	61	58.3 Å²	58.3	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-57.5	-33.1	-179.6	-51.5	0	0	0	0	112.7	E224 I225 L226	S222-E224 VanDerWaalsContact C-N 3.29Å; S222-E224 PolarHBondContact O-N 3.22Å; S222-I225 PolarHBondContact O-N 2.89Å; S222-L226 VanDerWaalsContact O-CG 3.24Å; S222-L226 WeakPolarHBondContact O-CG 3.08Å; S222-L226 PolarHBondContact O-N 2.97Å
223	A	93.8	Very high	94.2	Very high	73 Å²	73	57.1 Å²	57.1	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-59.6	-38.1	175.5	0	0	0	0	0	112.9	H221 L226 A227	H221-A223 PolarHBondContact O-N 3.17Å; H221-A223 VanDerWaalsContact O-N 3.12Å; A223-L226 PolarHBondContact O-N 2.99Å; A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.47Å; A223-A227 PolarHBondContact O-N 3.46Å
224	E	94.3	Very high	93.3	Very high	21 Å²	21	55.2 Å²	55.2	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-43	176.9	176.7	64.7	-167.4	0	0	110.9	S13 H21 P220 H221 S222 L226 A227 A228	S13-E224 PolarHBondContact OG-OE2 3.28Å; H21-E224 HydrophobicContact CB-CG 4.04Å; H21-E224 PolarHBondContact N-OE1 2.94Å; P220-E224 HydrophobicContact CB-CB 4.47Å; P220-E224 HydrophobicContact CB-CG 4.28Å; H221-E224 VanDerWaalsContact O-CB 3.3Å; H221-E224 WeakPolarHBondContact O-CB 3.48Å; H221-E224 PolarHBondContact O-N 3.41Å; S222-E224 VanDerWaalsContact C-N 3.29Å; S222-E224 PolarHBondContact O-N 3.22Å; E224-L226 PolarHBondContact O-N 3.2Å; E224-A227 PolarHBondContact O-N 3.11Å; E224-A228 WeakPolarHBondContact O-CB 3.42Å; E224-A228 PolarHBondContact O-N 3.33Å
225	I	95.4	Very high	91.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-49.3	174.2	-55.8	176.1	0	0	0	110.2	I182 T185 V186 P220 H221 S222 A227 A228 Y229	I182-I225 HydrophobicContact CB-CG2 4.46Å; I182-I225 HydrophobicContact CG1-CD1 4.45Å; I182-I225 HydrophobicContact CG1-CG2 4.02Å; I182-I225 HydrophobicContact CG2-CG2 4.22Å; T185-I225 HydrophobicContact CG2-CG2 4.46Å; V186-I225 HydrophobicContact CG2-CG2 3.72Å; P220-I225 HydrophobicContact CG-CD1 4.08Å; P220-I225 HydrophobicContact CG-CG1 3.8Å; H221-I225 PolarHBondContact O-N 3.07Å; S222-I225 PolarHBondContact O-N 2.89Å; I225-A227 PolarHBondContact O-N 2.88Å; I225-A228 PolarHBondContact O-N 3.16Å; I225-Y229 HydrophobicContact CG2-CD2 4.4Å; I225-Y229 WeakPolarHBondContact O-CD2 3.46Å; I225-Y229 PolarHBondContact O-N 3.38Å
226	L	95.9	Very high	90.3	Very high	22 Å²	22	69.5 Å²	69.5	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-39.4	-178.3	-65.3	176.3	0	0	0	112.1	T185 H189 F190 S222 A223 E224 A228 Y229 R230	T185-L226 HydrophobicContact CG2-CD2 4.12Å; T185-L226 HydrophobicContact CG2-CG 4.35Å; H189-L226 HydrophobicContact CB-CD1 4.17Å; H189-L226 HydrophobicContact CB-CD2 3.42Å; H189-L226 VanDerWaalsContact CB-CD2 3.42Å; H189-L226 HydrophobicContact CB-CG 4.44Å; F190-L226 HydrophobicContact CD2-CD2 4.18Å; F190-L226 HydrophobicContact CE2-CB 4.43Å; F190-L226 HydrophobicContact CE2-CD2 3.74Å; S222-L226 VanDerWaalsContact O-CG 3.24Å; S222-L226 WeakPolarHBondContact O-CG 3.08Å; S222-L226 PolarHBondContact O-N 2.97Å; A223-L226 PolarHBondContact O-N 2.99Å; E224-L226 PolarHBondContact O-N 3.2Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-Y229 PolarHBondContact O-N 3.17Å; L226-R230 PolarHBondContact O-N 2.7Å
227	A	93.6	Very high	90.1	Very high	20 Å²	20	66.1 Å²	66.1	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-43	175	0	0	0	0	0	111.6	A223 E224 I225 Y229 R230 P231	A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.47Å; A223-A227 PolarHBondContact O-N 3.46Å; E224-A227 PolarHBondContact O-N 3.11Å; I225-A227 PolarHBondContact O-N 2.88Å; A227-Y229 VanDerWaalsContact C-N 3.28Å; A227-Y229 PolarHBondContact O-N 2.69Å; A227-R230 PolarHBondContact O-N 2.83Å; A227-P231 WeakPolarHBondContact O-CD 3.39Å
228	A	92.8	Very high	89.9	Confident	48 Å²	48	61.2 Å²	61.2	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-30.4	178.4	0	0	0	0	0	113.7	H21 E224 I225 L226	H21-A228 HydrophobicContact CB-CB 3.91Å; E224-A228 WeakPolarHBondContact O-CB 3.42Å; E224-A228 PolarHBondContact O-N 3.33Å; I225-A228 PolarHBondContact O-N 3.16Å; L226-A228 VanDerWaalsContact C-N 3.34Å
229	Y	94.6	Very high	89.5	Confident	19 Å²	19	64.6 Å²	64.6	8%	0.075	36%	0.356	C	S	.	.	H	α-helix	trans	-90.9	-21	179.2	-84.3	-95.8	0	0	0	114.2	H21 F109 F112 I116 I182 V186 I225 L226 A227 P231 A232 V233	H21-Y229 AromaticContact CE1-CE2 3.71Å; H21-Y229 AromaticContact NE2-CE2 3.48Å; H21-Y229 WeakPolarHBondContact NE2-CE2 3.34Å; F109-Y229 WeakPolarHBondContact CZ-OH 3.22Å; F112-Y229 AromaticContact CE1-CE1 3.63Å; F112-Y229 HydrophobicContact CE1-CE1 3.63Å; F112-Y229 AromaticContact CE1-CZ 3.78Å; F112-Y229 HydrophobicContact CZ-CD1 4.25Å; F112-Y229 AromaticContact CZ-CE1 3.68Å; F112-Y229 HydrophobicContact CZ-CE1 3.68Å; I116-Y229 HydrophobicContact CG2-CD1 4.31Å; I116-Y229 HydrophobicContact CG2-CE1 4.18Å; I182-Y229 HydrophobicContact CG2-CD2 4.39Å; I182-Y229 HydrophobicContact CG2-CE2 3.49Å; I182-Y229 VanDerWaalsContact CG2-CE2 3.49Å; V186-Y229 HydrophobicContact CG1-CD1 3.94Å; V186-Y229 HydrophobicContact CG1-CG 3.95Å; V186-Y229 HydrophobicContact CG2-CD1 4.41Å; V186-Y229 HydrophobicContact CG2-CD2 3.75Å; V186-Y229 HydrophobicContact CG2-CE2 4.16Å; V186-Y229 HydrophobicContact CG2-CG 3.89Å; I225-Y229 HydrophobicContact CG2-CD2 4.4Å; I225-Y229 WeakPolarHBondContact O-CD2 3.46Å; I225-Y229 PolarHBondContact O-N 3.38Å; L226-Y229 PolarHBondContact O-N 3.17Å; A227-Y229 VanDerWaalsContact C-N 3.28Å; A227-Y229 PolarHBondContact O-N 2.69Å; Y229-P231 VanDerWaalsContact C-CD 3.41Å; Y229-P231 VanDerWaalsContact C-N 3.33Å; Y229-A232 PolarHBondContact O-N 2.87Å; Y229-V233 WeakPolarHBondContact O-CG2 3.43Å; Y229-V233 PolarHBondContact O-N 3.08Å; Y229-V233 VanDerWaalsContact O-N 3.1Å
230	R	93.9	Very high	89.2	Confident	151 Å²	151	66.7 Å²	66.7	57%	0.57	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-42.6	-178	-172.3	-179.4	-65.7	119.8	0.3	114.2	F190 L226 A227 A232	F190-R230 HydrophobicContact CZ-CB 4.26Å; L226-R230 PolarHBondContact O-N 2.7Å; A227-R230 PolarHBondContact O-N 2.83Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.1Å
231	P	92.4	Very high	88.9	Confident	116 Å²	116	70.3 Å²	70.3	75%	0.753	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.2	179.1	-17.6	32.3	0	0	0	114.2	A227 Y229	A227-P231 WeakPolarHBondContact O-CD 3.39Å; Y229-P231 VanDerWaalsContact C-CD 3.41Å; Y229-P231 VanDerWaalsContact C-N 3.33Å
232	A	89	Confident	88.7	Confident	32 Å²	32	66 Å²	66	26%	0.264	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-14	-175.1	0	0	0	0	0	113	K117 Y229 R230	K117-A232 HydrophobicContact CG-CB 4.2Å; Y229-A232 PolarHBondContact O-N 2.87Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.1Å
233	V	89.3	Confident	88.3	Confident	17 Å²	17	66.4 Å²	66.4	10%	0.103	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-87.8	119.8	178.9	175.3	0	0	0	0	109.2	I116 F190 Y229	I116-V233 HydrophobicContact CD1-CG2 4.07Å; I116-V233 HydrophobicContact CG1-CG2 3.88Å; F190-V233 HydrophobicContact CB-CG1 3.91Å; F190-V233 HydrophobicContact CB-CG2 4.3Å; F190-V233 HydrophobicContact CD1-CB 4.08Å; F190-V233 HydrophobicContact CD1-CG1 3.68Å; F190-V233 HydrophobicContact CD1-CG2 4.05Å; F190-V233 HydrophobicContact CD2-CG2 3.92Å; F190-V233 HydrophobicContact CE1-CB 4.32Å; F190-V233 HydrophobicContact CE1-CG1 4.37Å; F190-V233 HydrophobicContact CE1-CG2 4.29Å; F190-V233 HydrophobicContact CE2-CG2 4.15Å; F190-V233 HydrophobicContact CG-CB 4.31Å; F190-V233 HydrophobicContact CG-CG1 3.9Å; F190-V233 HydrophobicContact CG-CG2 3.83Å; F190-V233 HydrophobicContact CZ-CG2 4.33Å; Y229-V233 WeakPolarHBondContact O-CG2 3.43Å; Y229-V233 PolarHBondContact O-N 3.08Å; Y229-V233 VanDerWaalsContact O-N 3.1Å
234	H	78.1	Confident	87.8	Confident	84 Å²	84	65.8 Å²	65.8	39%	0.389	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-76.4	133.9	170.2	-66.8	-74.3	0	0	0	110.6	K117 R191	K117-H234 PolarHBondContact O-CD2 3.36Å; R191-H234 PolarHBondContact NH1-O 3.14Å; R191-H234 PolarHBondContact NH2-O 3.13Å; R191-H234 VanDerWaalsContact NH2-O 3.08Å
235	P	67.8	Low	87.3	Confident	123 Å²	123	69.6 Å²	69.6	80%	0.799	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-58.1	148.5	170.8	-18.5	30	0	0	0	110.4
236	R	64.8	Low	86.6	Confident	202 Å²	202	75.8 Å²	75.8	76%	0.762	40%	0.399	S	S	*	.			trans	-103.7	0	168.7	-73.1	-175.3	170.6	174.1	-1.4	109.2	D124 R191	D124-R236 VanDerWaalsContact CG-NH2 3.28Å; D124-R236 IonicContact OD2-CZ 3.14Å; D124-R236 IonicContact OD2-NE 2.62Å; D124-R236 PolarHBondContact OD2-NE 3.1Å; D124-R236 IonicContact OD2-NH2 2.78Å; D124-R236 PolarHBondContact OD2-NH2 2.79Å; R191-R236 VanDerWaalsContact CD-CZ 3.46Å

Retrieved 236 of 236 residues in 152.2 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).