A0A6P3J3L6_BISBB Loading...

MOB-like protein phocein

Part of the striatin-interacting phosphatase and kinase (STRIPAK) complexes. STRIPAK complexes have critical roles in protein (de)phosphorylation and are regulators of multiple signaling pathways including Hippo, MAPK, nuclear receptor and cytoskeleton remodeling. Different types of STRIPAK complexes are involved in a variety of biological processes such as cell growth, differentiation, apoptosis, metabolism and immune regulation.

AlphaFold DB , UniProt , Accession A0A6P3J3L6, Species BISBB (Bison bison bison, North American plains bison), Gene MOB4, Length 193 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	51.3	Low	85.1	Confident	192 Å²	192	73.2 Å²	73.2	95%	0.946	39%	0.389	S	S	*	.				0	88.5	0	-80.9	-177.9	-135.9	0	0	106.8	S3 A6	M1-S3 PolarHBondContact O-N 3.11Å; M1-A6 HydrophobicContact CB-CB 4.43Å
2	D	58.3	Low	86.2	Confident	172 Å²	172	70 Å²	70	92%	0.92	37%	0.37	S	S	*	.			trans	-95.6	21	-168.2	-67.2	-17.3	0	0	0	113.9
3	S	79.6	Confident	87.1	Confident	59 Å²	59	74 Å²	74	41%	0.413	39%	0.386	S	S	.	.			trans	-89	130.3	174.7	174.2	0	0	0	0	110.4	M1 L5 A6	M1-S3 PolarHBondContact O-N 3.11Å; S3-L5 PolarHBondContact O-N 3.26Å; S3-L5 PolarHBondContact OG-N 3.37Å; S3-A6 WeakPolarHBondContact O-CB 3.19Å; S3-A6 PolarHBondContact O-N 2.75Å
4	T	82.2	Confident	87.9	Confident	85 Å²	85	70.6 Å²	70.6	52%	0.521	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.5	175.5	54.4	0	0	0	0	114	V114	T4-V114 HydrophobicContact CG2-CG1 4.03Å
5	L	88.9	Confident	88.6	Confident	64 Å²	64	67.3 Å²	67.3	34%	0.335	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	0.3	-179.7	-55.4	-177.4	0	0	0	113.3	S3 V7 Q8 Q9	S3-L5 PolarHBondContact O-N 3.26Å; S3-L5 PolarHBondContact OG-N 3.37Å; L5-V7 PolarHBondContact O-N 3.12Å; L5-Q8 PolarHBondContact O-N 3.45Å; L5-Q9 HydrophobicContact CB-CG 4.36Å; L5-Q9 WeakPolarHBondContact O-CB 3.45Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.22Å
6	A	92.1	Very high	89.1	Confident	22 Å²	22	75.3 Å²	75.3	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-56.4	-48	-172.3	0	0	0	0	0	112.4	M1 S3 Q9 Y10	M1-A6 HydrophobicContact CB-CB 4.43Å; S3-A6 WeakPolarHBondContact O-CB 3.19Å; S3-A6 PolarHBondContact O-N 2.75Å; A6-Q9 PolarHBondContact O-N 3.04Å; A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.35Å
7	V	95.6	Very high	89.6	Confident	16 Å²	16	75.9 Å²	75.9	10%	0.097	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-43.9	-179.6	179.7	0	0	0	0	111.4	L5 Q9 Y10 I11 V36 W37 E40	L5-V7 PolarHBondContact O-N 3.12Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 3.35Å; V7-Y10 PolarHBondContact O-N 2.7Å; V7-I11 HydrophobicContact CG1-CD1 3.95Å; V7-I11 VanDerWaalsContact O-CG1 3.31Å; V7-I11 WeakPolarHBondContact O-CG1 3.15Å; V7-I11 PolarHBondContact O-N 3.11Å; V7-V36 HydrophobicContact CB-CG1 4.35Å; V7-V36 HydrophobicContact CG1-CG1 4.49Å; V7-V36 HydrophobicContact CG2-CG1 3.87Å; V7-W37 HydrophobicContact CG1-CE3 3.63Å; V7-W37 HydrophobicContact CG1-CZ3 3.94Å; V7-E40 HydrophobicContact CB-CB 4.39Å; V7-E40 HydrophobicContact CB-CG 4.1Å; V7-E40 HydrophobicContact CG1-CB 3.71Å; V7-E40 HydrophobicContact CG1-CG 3.93Å
8	Q	96.1	Very high	90.1	Very high	44 Å²	44	75.4 Å²	75.4	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-58.7	-47.8	176	-179.7	179.6	16.6	0	0	111.4	L5 Y10 I11 Q12	L5-Q8 PolarHBondContact O-N 3.45Å; Q8-Y10 VanDerWaalsContact C-N 3.34Å; Q8-I11 PolarHBondContact O-N 3.23Å; Q8-Q12 WeakPolarHBondContact O-CB 3.32Å; Q8-Q12 VanDerWaalsContact O-CG 3.32Å; Q8-Q12 WeakPolarHBondContact O-CG 3.04Å; Q8-Q12 PolarHBondContact O-N 3.35Å
9	Q	96.5	Very high	90.4	Very high	93 Å²	93	73.4 Å²	73.4	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-42.3	179.6	-72.5	173.2	-28.3	0	0	111.2	L5 A6 V7 Q12 Q13	L5-Q9 HydrophobicContact CB-CG 4.36Å; L5-Q9 WeakPolarHBondContact O-CB 3.45Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.22Å; A6-Q9 PolarHBondContact O-N 3.04Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 3.35Å; Q9-Q12 PolarHBondContact O-N 3.06Å; Q9-Q13 WeakPolarHBondContact O-CB 3.42Å; Q9-Q13 WeakPolarHBondContact O-CG 3.45Å; Q9-Q13 PolarHBondContact O-N 2.99Å
10	Y	97.2	Very high	90.7	Very high	58 Å²	58	72.6 Å²	72.6	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-59.2	-48.9	176.7	-179.6	-95.3	0	0	0	111.6	A6 V7 Q8 Q12 Q13 N14 P29 W37	A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.35Å; V7-Y10 PolarHBondContact O-N 2.7Å; Q8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-Q12 PolarHBondContact O-N 3.22Å; Y10-Q13 PolarHBondContact O-N 3.32Å; Y10-N14 VanDerWaalsContact CE1-ND2 3.32Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.4Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.34Å; Y10-N14 PolarHBondContact O-N 2.96Å; Y10-N14 PolarHBondContact O-ND2 3.01Å; Y10-P29 HydrophobicContact CD1-CG 3.93Å; Y10-P29 HydrophobicContact CD2-CG 4.17Å; Y10-P29 HydrophobicContact CE1-CG 3.77Å; Y10-P29 HydrophobicContact CE2-CG 4.03Å; Y10-P29 HydrophobicContact CG-CG 4.12Å; Y10-W37 AromaticContact CD1-CH2 3.9Å; Y10-W37 HydrophobicContact CD1-CH2 3.9Å; Y10-W37 AromaticContact CD1-CZ3 3.89Å; Y10-W37 HydrophobicContact CD1-CZ3 3.89Å; Y10-W37 AromaticContact CE1-CH2 3.89Å; Y10-W37 HydrophobicContact CE1-CH2 3.89Å; Y10-W37 HydrophobicContact CE1-CZ3 4.22Å
11	I	98.3	Very high	91	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-59.5	-48.8	177.6	-64.8	164.8	0	0	0	110.1	V7 Q8 Q13 N14 I15 I25 W37 E40 Q44	V7-I11 HydrophobicContact CG1-CD1 3.95Å; V7-I11 VanDerWaalsContact O-CG1 3.31Å; V7-I11 WeakPolarHBondContact O-CG1 3.15Å; V7-I11 PolarHBondContact O-N 3.11Å; Q8-I11 PolarHBondContact O-N 3.23Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.96Å; I11-N14 PolarHBondContact O-N 3.5Å; I11-I15 HydrophobicContact CG2-CD1 3.74Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.33Å; I11-I25 HydrophobicContact CG2-CG2 4.49Å; I11-W37 HydrophobicContact CD1-CE3 4.4Å; I11-W37 HydrophobicContact CD1-CH2 4.45Å; I11-W37 HydrophobicContact CD1-CZ3 4.09Å; I11-W37 HydrophobicContact CG1-CH2 3.82Å; I11-W37 HydrophobicContact CG1-CZ3 3.74Å; I11-E40 HydrophobicContact CD1-CB 3.97Å; I11-Q44 HydrophobicContact CG2-CB 4.31Å; I11-Q44 HydrophobicContact CG2-CG 3.82Å
12	Q	98.1	Very high	93.2	Very high	35 Å²	35	63.8 Å²	63.8	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-34.8	-178.9	-71.9	179.7	-5	0	0	113.1	Q8 Q9 Y10 R16 Q44	Q8-Q12 WeakPolarHBondContact O-CB 3.32Å; Q8-Q12 VanDerWaalsContact O-CG 3.32Å; Q8-Q12 WeakPolarHBondContact O-CG 3.04Å; Q8-Q12 PolarHBondContact O-N 3.35Å; Q9-Q12 PolarHBondContact O-N 3.06Å; Y10-Q12 PolarHBondContact O-N 3.22Å; Q12-R16 WeakPolarHBondContact O-CB 3.36Å; Q12-R16 WeakPolarHBondContact O-CG 3.15Å; Q12-R16 PolarHBondContact O-N 3.36Å; Q12-Q44 VanDerWaalsContact CG-OE1 3.26Å
13	Q	97.9	Very high	95	Very high	122 Å²	122	60.6 Å²	60.6	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-66.3	-44	175.5	-77.6	170.3	-11.6	0	0	111.3	Q9 Y10 I11 R16 A17	Q9-Q13 WeakPolarHBondContact O-CB 3.42Å; Q9-Q13 WeakPolarHBondContact O-CG 3.45Å; Q9-Q13 PolarHBondContact O-N 2.99Å; Y10-Q13 PolarHBondContact O-N 3.32Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.96Å; Q13-R16 PolarHBondContact O-N 3.34Å; Q13-A17 WeakPolarHBondContact O-CB 3.38Å; Q13-A17 PolarHBondContact O-N 3.19Å
14	N	98.2	Very high	95.8	Very high	27 Å²	27	61.7 Å²	61.7	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-43.8	176.6	-74.5	-78.3	0	0	0	111.6	Y10 I11 R16 A17 D18 I25	Y10-N14 VanDerWaalsContact CE1-ND2 3.32Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.4Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.34Å; Y10-N14 PolarHBondContact O-N 2.96Å; Y10-N14 PolarHBondContact O-ND2 3.01Å; I11-N14 PolarHBondContact O-N 3.5Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.41Å; N14-A17 PolarHBondContact O-N 3.3Å; N14-D18 PolarHBondContact O-N 2.68Å; N14-I25 HydrophobicContact CB-CG1 4.03Å
15	I	98.2	Very high	96.6	Very high	20 Å²	20	57.7 Å²	57.7	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-42.5	175.8	-66.6	166.7	0	0	0	111.3	I11 D18 C19 I25 Q44	I11-I15 HydrophobicContact CG2-CD1 3.74Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.33Å; I15-D18 CarbonylContact O-C 2.93Å; I15-C19 HydrophobicContact CG2-CB 4.31Å; I15-C19 WeakPolarHBondContact O-CA 3.34Å; I15-C19 PolarHBondContact O-N 3.2Å; I15-C19 VanDerWaalsContact O-N 3.14Å; I15-I25 HydrophobicContact CD1-CG2 4.33Å; I15-I25 HydrophobicContact CG1-CD1 4.02Å; I15-I25 HydrophobicContact CG1-CG1 4.22Å; I15-I25 HydrophobicContact CG1-CG2 3.69Å; I15-Q44 HydrophobicContact CD1-CG 3.76Å
16	R	97.7	Very high	97	Very high	195 Å²	195	54.9 Å²	54.9	74%	0.736	28%	0.284	S	S	*	.	H	α-helix	trans	-72.2	-29.8	179.4	-73.9	173.1	-171.7	167.3	5.8	113.3	Q12 Q13 N14	Q12-R16 WeakPolarHBondContact O-CB 3.36Å; Q12-R16 WeakPolarHBondContact O-CG 3.15Å; Q12-R16 PolarHBondContact O-N 3.36Å; Q13-R16 PolarHBondContact O-N 3.34Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.41Å
17	A	97.8	Very high	97.3	Very high	86 Å²	86	58.4 Å²	58.4	71%	0.711	30%	0.296	S	S	*	.	H	α-helix	trans	-69.5	-47.5	177.3	0	0	0	0	0	110.4	Q13 N14	Q13-A17 WeakPolarHBondContact O-CB 3.38Å; Q13-A17 PolarHBondContact O-N 3.19Å; N14-A17 PolarHBondContact O-N 3.3Å
18	D	97.6	Very high	97.3	Very high	68 Å²	68	59.9 Å²	59.9	36%	0.364	31%	0.307	S	S	.	.			trans	-161.7	106.2	176	-178.3	-4.4	0	0	0	109.6	N14 I15 S20 N21 I25	N14-D18 PolarHBondContact O-N 2.68Å; I15-D18 CarbonylContact O-C 2.93Å; D18-S20 VanDerWaalsContact C-N 3.25Å; D18-S20 PolarHBondContact O-N 3.21Å; D18-S20 WeakPolarHBondContact OD1-CA 3.47Å; D18-S20 WeakPolarHBondContact OD1-CB 3.19Å; D18-S20 PolarHBondContact OD1-N 3.31Å; D18-S20 PolarHBondContact OD1-OG 3.34Å; D18-N21 HydrophobicContact CB-CB 4.13Å; D18-N21 PolarHBondContact O-N 3.45Å; D18-N21 PolarHBondContact OD1-N 3.38Å; D18-N21 WeakPolarHBondContact OD2-CB 3.5Å; D18-I25 WeakPolarHBondContact O-CD1 3.35Å
19	C	96.8	Very high	97.2	Very high	36 Å²	36	59.1 Å²	59.1	24%	0.243	31%	0.305	C	S	.	.	S	Bend	trans	-71.5	-20	180	59.6	0	0	0	0	113.4	I15	I15-C19 HydrophobicContact CG2-CB 4.31Å; I15-C19 WeakPolarHBondContact O-CA 3.34Å; I15-C19 PolarHBondContact O-N 3.2Å; I15-C19 VanDerWaalsContact O-N 3.14Å
20	S	96.3	Very high	97.1	Very high	58 Å²	58	64.5 Å²	64.5	41%	0.406	33%	0.33	S	S	.	.	S	Bend	trans	-81.2	-23.1	179.9	76.2	0	0	0	0	112.5	D18 I22	D18-S20 VanDerWaalsContact C-N 3.25Å; D18-S20 PolarHBondContact O-N 3.21Å; D18-S20 WeakPolarHBondContact OD1-CA 3.47Å; D18-S20 WeakPolarHBondContact OD1-CB 3.19Å; D18-S20 PolarHBondContact OD1-N 3.31Å; D18-S20 PolarHBondContact OD1-OG 3.34Å; S20-I22 PolarHBondContact O-N 3.2Å
21	N	96.8	Very high	96.9	Very high	72 Å²	72	65.8 Å²	65.8	39%	0.385	36%	0.361	S	S	.	.			trans	-79.7	68.9	176.8	-165.4	-20.9	0	0	0	112	D18 D23 K24 I25	D18-N21 HydrophobicContact CB-CB 4.13Å; D18-N21 PolarHBondContact O-N 3.45Å; D18-N21 PolarHBondContact OD1-N 3.38Å; D18-N21 WeakPolarHBondContact OD2-CB 3.5Å; N21-D23 VanDerWaalsContact C-N 3.3Å; N21-D23 PolarHBondContact O-N 2.81Å; N21-K24 HydrophobicContact CB-CB 4.25Å; N21-K24 VanDerWaalsContact CG-CB 3.41Å; N21-K24 PolarHBondContact O-N 3.1Å; N21-K24 WeakPolarHBondContact OD1-CB 3.47Å; N21-K24 PolarHBondContact OD1-N 3.36Å; N21-K24 VanDerWaalsContact OD1-N 3.11Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.48Å
22	I	97.3	Very high	96.7	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.036	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-42.2	-175.8	-64.8	171.1	0	0	0	111.7	S20 K24 I25 L26 F154 H157 R158 K161	S20-I22 PolarHBondContact O-N 3.2Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.34Å; I22-I25 PolarHBondContact O-N 3.23Å; I22-L26 HydrophobicContact CG2-CD1 3.73Å; I22-L26 HydrophobicContact CG2-CG 4.13Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 WeakPolarHBondContact O-CG 3.32Å; I22-L26 PolarHBondContact O-N 2.61Å; I22-F154 HydrophobicContact CD1-CB 4.15Å; I22-F154 HydrophobicContact CG1-CB 4.36Å; I22-H157 HydrophobicContact CD1-CB 3.68Å; I22-H157 VanDerWaalsContact CD1-CD2 3.46Å; I22-H157 WeakPolarHBondContact CD1-CD2 3.39Å; I22-H157 WeakPolarHBondContact CD1-ND1 3.24Å; I22-R158 HydrophobicContact CD1-CB 4.45Å; I22-R158 HydrophobicContact CG1-CB 4.22Å; I22-R158 HydrophobicContact CG2-CB 4.11Å; I22-R158 HydrophobicContact CG2-CG 4.08Å; I22-K161 HydrophobicContact CB-CD 4.49Å; I22-K161 HydrophobicContact CG2-CB 4.28Å; I22-K161 HydrophobicContact CG2-CD 3.67Å
23	D	96.1	Very high	96.6	Very high	105 Å²	105	70.5 Å²	70.5	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-63.2	-39.2	-177.4	-64	-31	0	0	0	110.8	N21 L26 E27 K161	N21-D23 VanDerWaalsContact C-N 3.3Å; N21-D23 PolarHBondContact O-N 2.81Å; D23-L26 PolarHBondContact O-N 3.14Å; D23-E27 PolarHBondContact O-N 2.9Å; D23-K161 IonicContact OD1-NZ 3.6Å; D23-K161 PolarHBondContact OD1-NZ 2.86Å; D23-K161 IonicContact OD2-NZ 3.19Å
24	K	96.9	Very high	96.5	Very high	83 Å²	83	69.8 Å²	69.8	36%	0.361	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-43	174.2	-174.1	65.5	-168	167.6	0	112.7	N21 I22 L26 E27	N21-K24 HydrophobicContact CB-CB 4.25Å; N21-K24 VanDerWaalsContact CG-CB 3.41Å; N21-K24 PolarHBondContact O-N 3.1Å; N21-K24 WeakPolarHBondContact OD1-CB 3.47Å; N21-K24 PolarHBondContact OD1-N 3.36Å; N21-K24 VanDerWaalsContact OD1-N 3.11Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.34Å; K24-L26 PolarHBondContact O-N 2.92Å; K24-E27 IonicContact NZ-OE2 2.75Å; K24-E27 PolarHBondContact NZ-OE2 3.06Å; K24-E27 WeakPolarHBondContact O-CB 3.41Å; K24-E27 PolarHBondContact O-N 3.38Å
25	I	98.3	Very high	96.4	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-62	-35.2	179	-62.7	161	0	0	0	111.1	I11 N14 I15 D18 N21 I22 E27 H41	I11-I25 HydrophobicContact CG2-CG2 4.49Å; N14-I25 HydrophobicContact CB-CG1 4.03Å; I15-I25 HydrophobicContact CD1-CG2 4.33Å; I15-I25 HydrophobicContact CG1-CD1 4.02Å; I15-I25 HydrophobicContact CG1-CG1 4.22Å; I15-I25 HydrophobicContact CG1-CG2 3.69Å; D18-I25 WeakPolarHBondContact O-CD1 3.35Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.48Å; I22-I25 PolarHBondContact O-N 3.23Å; I25-E27 VanDerWaalsContact C-N 3.35Å; I25-H41 PolarHBondContact O-CE1 3.44Å; I25-H41 PolarHBondContact O-NE2 3.34Å
26	L	97.9	Very high	96.3	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.026	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.8	-179.3	-61.3	-175.3	0	0	0	113.8	I22 D23 K24 P28 R158 K161 F162 K165	I22-L26 HydrophobicContact CG2-CD1 3.73Å; I22-L26 HydrophobicContact CG2-CG 4.13Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 WeakPolarHBondContact O-CG 3.32Å; I22-L26 PolarHBondContact O-N 2.61Å; D23-L26 PolarHBondContact O-N 3.14Å; K24-L26 PolarHBondContact O-N 2.92Å; L26-P28 WeakPolarHBondContact O-CD 3.36Å; L26-R158 HydrophobicContact CD1-CG 4.32Å; L26-R158 HydrophobicContact CD2-CG 3.88Å; L26-R158 HydrophobicContact CG-CG 4.14Å; L26-K161 HydrophobicContact CD1-CB 3.82Å; L26-F162 HydrophobicContact CD1-CB 4.1Å; L26-F162 HydrophobicContact CD2-CB 4.04Å; L26-F162 HydrophobicContact CD2-CD2 4.1Å; L26-K165 PolarHBondContact O-NZ 3.36Å
27	E	96.9	Very high	96.3	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	34%	0.341	S	S	.	.			trans	-89	109.2	175.7	-171.6	179.6	-146.5	0	0	110.4	D23 K24 I25	D23-E27 PolarHBondContact O-N 2.9Å; K24-E27 IonicContact NZ-OE2 2.75Å; K24-E27 PolarHBondContact NZ-OE2 3.06Å; K24-E27 WeakPolarHBondContact O-CB 3.41Å; K24-E27 PolarHBondContact O-N 3.38Å; I25-E27 VanDerWaalsContact C-N 3.35Å
28	P	96	Very high	96.3	Very high	48 Å²	48	55.9 Å²	55.9	31%	0.312	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-70.2	146.9	178.9	29.5	-34.2	0	0	0	111.2	L26 Q32 W37	L26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-Q32 HydrophobicContact CB-CB 4.15Å; P28-Q32 HydrophobicContact CB-CG 4.35Å; P28-W37 HydrophobicContact CB-CD2 3.85Å; P28-W37 HydrophobicContact CB-CE3 4.21Å; P28-W37 HydrophobicContact CB-CG 4.21Å; P28-W37 HydrophobicContact CB-CZ2 4.14Å
29	P	94.9	Very high	96.3	Very high	27 Å²	27	52.9 Å²	52.9	18%	0.175	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-57.1	153.6	168	-22.4	32.9	0	0	0	112.1	Y10 G31 Q32	Y10-P29 HydrophobicContact CD1-CG 3.93Å; Y10-P29 HydrophobicContact CD2-CG 4.17Å; Y10-P29 HydrophobicContact CE1-CG 3.77Å; Y10-P29 HydrophobicContact CE2-CG 4.03Å; Y10-P29 HydrophobicContact CG-CG 4.12Å; P29-G31 PolarHBondContact O-N 3.3Å; P29-Q32 WeakPolarHBondContact O-CB 3.46Å; P29-Q32 PolarHBondContact O-N 3.48Å; P29-Q32 VanDerWaalsContact O-N 3.1Å
30	E	94	Very high	96.4	Very high	206 Å²	206	51.3 Å²	51.3	96%	0.963	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	131.9	177.7	-170.5	179.1	-177.8	0	0	111.5	Q32	E30-Q32 VanDerWaalsContact C-N 3.26Å; E30-Q32 PolarHBondContact O-N 3.34Å
31	G	92.9	Very high	96.5	Very high	85 Å²	85	48.6 Å²	48.6	88%	0.876	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	7.4	-179.7	0	0	0	0	0	115.3	P29 D33	P29-G31 PolarHBondContact O-N 3.3Å; G31-D33 PolarHBondContact O-N 2.87Å
32	Q	94.8	Very high	96.5	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	25%	0.248	S	C	.	.			trans	-67.8	129.7	178.3	179.1	54.1	56.7	0	0	111.9	P28 P29 E30 E34 W37	P28-Q32 HydrophobicContact CB-CB 4.15Å; P28-Q32 HydrophobicContact CB-CG 4.35Å; P29-Q32 WeakPolarHBondContact O-CB 3.46Å; P29-Q32 PolarHBondContact O-N 3.48Å; P29-Q32 VanDerWaalsContact O-N 3.1Å; E30-Q32 VanDerWaalsContact C-N 3.26Å; E30-Q32 PolarHBondContact O-N 3.34Å; Q32-E34 PolarHBondContact O-N 3.41Å; Q32-W37 HydrophobicContact CG-CB 4.21Å; Q32-W37 HydrophobicContact CG-CE3 4.1Å
33	D	95.1	Very high	96.5	Very high	80 Å²	80	47.1 Å²	47.1	43%	0.428	25%	0.254	S	S	.	.			trans	-61.4	126.5	172.1	177.9	-100.4	0	0	0	111.1	G31 G35 V36 W37	G31-D33 PolarHBondContact O-N 2.87Å; D33-G35 VanDerWaalsContact C-N 3.35Å; D33-G35 PolarHBondContact O-N 3.28Å; D33-G35 WeakPolarHBondContact OD1-CA 3.35Å; D33-G35 PolarHBondContact OD1-N 3.07Å; D33-V36 HydrophobicContact CB-CB 4.25Å; D33-V36 HydrophobicContact CB-CG2 4.11Å; D33-V36 PolarHBondContact O-N 3Å; D33-V36 WeakPolarHBondContact OD1-CG2 3.46Å; D33-V36 PolarHBondContact OD1-N 2.81Å; D33-W37 WeakPolarHBondContact O-CB 3.38Å; D33-W37 PolarHBondContact O-N 3.33Å
34	E	95.6	Very high	96.6	Very high	106 Å²	106	42.8 Å²	42.8	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-33.6	-176.2	-178.1	174.5	119.6	0	0	112.2	Q32 W37 K38 Y166	Q32-E34 PolarHBondContact O-N 3.41Å; E34-W37 PolarHBondContact O-N 2.83Å; E34-K38 HydrophobicContact CG-CD 4.11Å; E34-K38 VanDerWaalsContact CG-CE 3.45Å; E34-K38 HydrophobicContact CG-CG 4.34Å; E34-K38 WeakPolarHBondContact O-CB 2.96Å; E34-K38 VanDerWaalsContact O-CG 3.28Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 2.99Å; E34-K38 WeakPolarHBondContact OE1-CE 3.26Å; E34-K38 IonicContact OE1-NZ 3.3Å; E34-K38 PolarHBondContact OE1-NZ 3.31Å; E34-Y166 HydrophobicContact CG-CD1 4.28Å; E34-Y166 HydrophobicContact CG-CE1 4Å
35	G	96.4	Very high	96.7	Very high	9 Å²	9	38.9 Å²	38.9	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-46.8	176.9	0	0	0	0	0	111.9	D33 Y39	D33-G35 VanDerWaalsContact C-N 3.35Å; D33-G35 PolarHBondContact O-N 3.28Å; D33-G35 WeakPolarHBondContact OD1-CA 3.35Å; D33-G35 PolarHBondContact OD1-N 3.07Å; G35-Y39 VanDerWaalsContact O-CB 3.25Å; G35-Y39 WeakPolarHBondContact O-CB 3.45Å; G35-Y39 PolarHBondContact O-N 3.36Å
36	V	96.7	Very high	96.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-46	172.6	174.7	0	0	0	0	110.7	V7 D33 K38 Y39 E40 R113 V114 I116	V7-V36 HydrophobicContact CB-CG1 4.35Å; V7-V36 HydrophobicContact CG1-CG1 4.49Å; V7-V36 HydrophobicContact CG2-CG1 3.87Å; D33-V36 HydrophobicContact CB-CB 4.25Å; D33-V36 HydrophobicContact CB-CG2 4.11Å; D33-V36 PolarHBondContact O-N 3Å; D33-V36 WeakPolarHBondContact OD1-CG2 3.46Å; D33-V36 PolarHBondContact OD1-N 2.81Å; V36-K38 PolarHBondContact O-N 3.45Å; V36-Y39 PolarHBondContact O-N 3.39Å; V36-E40 HydrophobicContact CG1-CG 4.23Å; V36-E40 WeakPolarHBondContact O-CB 3.35Å; V36-E40 WeakPolarHBondContact O-CG 3.32Å; V36-E40 PolarHBondContact O-N 3.13Å; V36-R113 WeakPolarHBondContact CG1-O 3.31Å; V36-V114 VanDerWaalsContact CG2-C 3.48Å; V36-V114 WeakPolarHBondContact CG2-O 3.44Å; V36-I116 HydrophobicContact CB-CG1 4.25Å; V36-I116 HydrophobicContact CG2-CD1 4.49Å; V36-I116 HydrophobicContact CG2-CG1 3.76Å
37	W	97.6	Very high	96.7	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-50.2	180	-175	-111.3	0	0	0	112.1	V7 Y10 I11 P28 Q32 D33 E34 Y39 E40 H41 Y166	V7-W37 HydrophobicContact CG1-CE3 3.63Å; V7-W37 HydrophobicContact CG1-CZ3 3.94Å; Y10-W37 AromaticContact CD1-CH2 3.9Å; Y10-W37 HydrophobicContact CD1-CH2 3.9Å; Y10-W37 AromaticContact CD1-CZ3 3.89Å; Y10-W37 HydrophobicContact CD1-CZ3 3.89Å; Y10-W37 AromaticContact CE1-CH2 3.89Å; Y10-W37 HydrophobicContact CE1-CH2 3.89Å; Y10-W37 HydrophobicContact CE1-CZ3 4.22Å; I11-W37 HydrophobicContact CD1-CE3 4.4Å; I11-W37 HydrophobicContact CD1-CH2 4.45Å; I11-W37 HydrophobicContact CD1-CZ3 4.09Å; I11-W37 HydrophobicContact CG1-CH2 3.82Å; I11-W37 HydrophobicContact CG1-CZ3 3.74Å; P28-W37 HydrophobicContact CB-CD2 3.85Å; P28-W37 HydrophobicContact CB-CE3 4.21Å; P28-W37 HydrophobicContact CB-CG 4.21Å; P28-W37 HydrophobicContact CB-CZ2 4.14Å; Q32-W37 HydrophobicContact CG-CB 4.21Å; Q32-W37 HydrophobicContact CG-CE3 4.1Å; D33-W37 WeakPolarHBondContact O-CB 3.38Å; D33-W37 PolarHBondContact O-N 3.33Å; E34-W37 PolarHBondContact O-N 2.83Å; W37-Y39 VanDerWaalsContact C-N 3.33Å; W37-Y39 PolarHBondContact O-N 3.41Å; W37-E40 PolarHBondContact O-N 2.95Å; W37-H41 AromaticContact CD2-CD2 3.75Å; W37-H41 AromaticContact CE2-CD2 3.31Å; W37-H41 AromaticContact CE2-NE2 3.26Å; W37-H41 VanDerWaalsContact CE2-NE2 3.26Å; W37-H41 AromaticContact CH2-NE2 3.46Å; W37-H41 WeakPolarHBondContact CH2-NE2 3.28Å; W37-H41 AromaticContact CZ2-CD2 3.57Å; W37-H41 AromaticContact CZ2-NE2 2.96Å; W37-H41 WeakPolarHBondContact CZ2-NE2 3.45Å; W37-H41 AromaticContact NE1-CD2 3.49Å; W37-H41 PolarHBondContact NE1-CD2 3.14Å; W37-H41 AromaticContact NE1-NE2 3.72Å; W37-H41 WeakPolarHBondContact O-CB 3.03Å; W37-H41 PolarHBondContact O-N 3.09Å; W37-Y166 AromaticContact CD1-CE2 3.96Å; W37-Y166 AromaticContact CD1-CZ 3.62Å; W37-Y166 AromaticContact NE1-CZ 3.88Å; W37-Y166 PolarHBondContact NE1-OH 2.84Å; W37-Y166 VanDerWaalsContact NE1-OH 3.08Å
38	K	97.8	Very high	96.8	Very high	23 Å²	23	40.2 Å²	40.2	10%	0.1	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-43	177.7	-71.2	170	-177.5	172.7	0	112	E34 V36 L42 V121 L124 F162 Y166	E34-K38 HydrophobicContact CG-CD 4.11Å; E34-K38 VanDerWaalsContact CG-CE 3.45Å; E34-K38 HydrophobicContact CG-CG 4.34Å; E34-K38 WeakPolarHBondContact O-CB 2.96Å; E34-K38 VanDerWaalsContact O-CG 3.28Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 2.99Å; E34-K38 WeakPolarHBondContact OE1-CE 3.26Å; E34-K38 IonicContact OE1-NZ 3.3Å; E34-K38 PolarHBondContact OE1-NZ 3.31Å; V36-K38 PolarHBondContact O-N 3.45Å; K38-L42 WeakPolarHBondContact O-CB 3.4Å; K38-L42 PolarHBondContact O-N 2.89Å; K38-V121 HydrophobicContact CD-CG1 4.18Å; K38-L124 HydrophobicContact CB-CD1 3.69Å; K38-F162 HydrophobicContact CB-CZ 4.17Å; K38-F162 HydrophobicContact CG-CZ 4.27Å; K38-Y166 HydrophobicContact CD-CD1 4.39Å; K38-Y166 HydrophobicContact CD-CG 4.42Å; K38-Y166 HydrophobicContact CG-CD1 4.23Å; K38-Y166 HydrophobicContact CG-CD2 4.36Å; K38-Y166 HydrophobicContact CG-CG 4.09Å
39	Y	97.6	Very high	96.9	Very high	4 Å²	4	38 Å²	38	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-48.8	179.8	167.6	-105.6	0	0	0	111.8	G35 V36 W37 L42 R43 L104 F110 R113 I116	G35-Y39 VanDerWaalsContact O-CB 3.25Å; G35-Y39 WeakPolarHBondContact O-CB 3.45Å; G35-Y39 PolarHBondContact O-N 3.36Å; V36-Y39 PolarHBondContact O-N 3.39Å; W37-Y39 VanDerWaalsContact C-N 3.33Å; W37-Y39 PolarHBondContact O-N 3.41Å; Y39-L42 PolarHBondContact O-N 2.93Å; Y39-R43 HydrophobicContact CE2-CG 4.29Å; Y39-R43 VanDerWaalsContact CZ-CD 3.45Å; Y39-R43 WeakPolarHBondContact O-CG 3.4Å; Y39-R43 PolarHBondContact O-N 2.98Å; Y39-R43 VanDerWaalsContact O-N 3.07Å; Y39-R43 WeakPolarHBondContact OH-CD 3.34Å; Y39-R43 PolarHBondContact OH-NH1 2.89Å; Y39-L104 HydrophobicContact CD2-CD2 3.89Å; Y39-L104 HydrophobicContact CE2-CB 4.12Å; Y39-L104 HydrophobicContact CE2-CD2 3.89Å; Y39-L104 VanDerWaalsContact CE2-O 3.32Å; Y39-L104 WeakPolarHBondContact CE2-O 3.36Å; Y39-L104 PolarHBondContact OH-O 3.5Å; Y39-F110 AromaticContact CD2-CD1 3.4Å; Y39-F110 HydrophobicContact CD2-CD1 3.4Å; Y39-F110 VanDerWaalsContact CD2-CD1 3.4Å; Y39-F110 AromaticContact CD2-CE1 3.46Å; Y39-F110 HydrophobicContact CD2-CE1 3.46Å; Y39-F110 VanDerWaalsContact CD2-CE1 3.46Å; Y39-F110 HydrophobicContact CD2-CG 4.09Å; Y39-F110 HydrophobicContact CD2-CZ 4.21Å; Y39-F110 HydrophobicContact CE2-CB 4.02Å; Y39-F110 AromaticContact CE2-CD1 3.41Å; Y39-F110 HydrophobicContact CE2-CD1 3.41Å; Y39-F110 VanDerWaalsContact CE2-CD1 3.41Å; Y39-F110 HydrophobicContact CE2-CD2 4.24Å; Y39-F110 AromaticContact CE2-CE1 3.87Å; Y39-F110 HydrophobicContact CE2-CE1 3.87Å; Y39-F110 AromaticContact CE2-CG 3.62Å; Y39-F110 HydrophobicContact CE2-CG 3.62Å; Y39-F110 HydrophobicContact CE2-CZ 4.47Å; Y39-F110 HydrophobicContact CG-CD1 4.23Å; Y39-F110 HydrophobicContact CG-CE1 4.35Å; Y39-R113 HydrophobicContact CE1-CB 4.41Å; Y39-R113 HydrophobicContact CE1-CG 4.06Å; Y39-I116 HydrophobicContact CD1-CD1 3.79Å; Y39-I116 HydrophobicContact CD1-CG1 4.34Å; Y39-I116 HydrophobicContact CE1-CD1 4.26Å; Y39-I116 HydrophobicContact CG-CD1 3.98Å; Y39-I116 HydrophobicContact CG-CG1 4.27Å
40	E	97.7	Very high	97	Very high	4 Å²	4	40 Å²	40	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-38	-178.1	-70.6	-61.3	159.2	0	0	112.4	V7 I11 V36 W37 L42 R43 Q44 R113	V7-E40 HydrophobicContact CB-CB 4.39Å; V7-E40 HydrophobicContact CB-CG 4.1Å; V7-E40 HydrophobicContact CG1-CB 3.71Å; V7-E40 HydrophobicContact CG1-CG 3.93Å; I11-E40 HydrophobicContact CD1-CB 3.97Å; V36-E40 HydrophobicContact CG1-CG 4.23Å; V36-E40 WeakPolarHBondContact O-CB 3.35Å; V36-E40 WeakPolarHBondContact O-CG 3.32Å; V36-E40 PolarHBondContact O-N 3.13Å; W37-E40 PolarHBondContact O-N 2.95Å; E40-L42 PolarHBondContact O-N 3.46Å; E40-R43 PolarHBondContact O-N 3.49Å; E40-R43 IonicContact OE1-NH1 2.72Å; E40-Q44 WeakPolarHBondContact O-CB 3.47Å; E40-Q44 PolarHBondContact O-N 3.46Å; E40-R113 IonicContact OE1-CZ 2.59Å; E40-R113 VanDerWaalsContact OE1-CZ 3.24Å; E40-R113 IonicContact OE1-NE 2.68Å; E40-R113 PolarHBondContact OE1-NE 3.12Å; E40-R113 IonicContact OE1-NH2 3.87Å; E40-R113 PolarHBondContact OE1-NH2 3.31Å; E40-R113 IonicContact OE2-CZ 3.31Å; E40-R113 IonicContact OE2-NH2 3.81Å; E40-R113 PolarHBondContact OE2-NH2 3.33Å
41	H	98.3	Very high	97.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-45.4	170.3	-97.2	-65.4	0	0	0	112.4	I25 W37 R43 Q44 F45 F162	I25-H41 PolarHBondContact O-CE1 3.44Å; I25-H41 PolarHBondContact O-NE2 3.34Å; W37-H41 AromaticContact CD2-CD2 3.75Å; W37-H41 AromaticContact CE2-CD2 3.31Å; W37-H41 AromaticContact CE2-NE2 3.26Å; W37-H41 VanDerWaalsContact CE2-NE2 3.26Å; W37-H41 AromaticContact CH2-NE2 3.46Å; W37-H41 WeakPolarHBondContact CH2-NE2 3.28Å; W37-H41 AromaticContact CZ2-CD2 3.57Å; W37-H41 AromaticContact CZ2-NE2 2.96Å; W37-H41 WeakPolarHBondContact CZ2-NE2 3.45Å; W37-H41 AromaticContact NE1-CD2 3.49Å; W37-H41 PolarHBondContact NE1-CD2 3.14Å; W37-H41 AromaticContact NE1-NE2 3.72Å; W37-H41 WeakPolarHBondContact O-CB 3.03Å; W37-H41 PolarHBondContact O-N 3.09Å; H41-R43 VanDerWaalsContact C-N 3.26Å; H41-R43 PolarHBondContact O-N 3.45Å; H41-Q44 CarbonylContact O-C 3.53Å; H41-Q44 WeakPolarHBondContact O-CA 3.23Å; H41-Q44 WeakPolarHBondContact O-CB 3.2Å; H41-Q44 PolarHBondContact O-N 3.08Å; H41-F45 HydrophobicContact CB-CD2 4.36Å; H41-F45 HydrophobicContact CB-CE2 3.98Å; H41-F45 WeakPolarHBondContact O-CD2 3.32Å; H41-F45 WeakPolarHBondContact O-CG 3.33Å; H41-F45 PolarHBondContact O-N 2.96Å; H41-F162 HydrophobicContact CB-CD2 4.06Å; H41-F162 HydrophobicContact CB-CE2 3.47Å; H41-F162 VanDerWaalsContact CB-CE2 3.47Å; H41-F162 HydrophobicContact CB-CZ 3.75Å; H41-F162 AromaticContact CG-CE2 3.86Å
42	L	98.1	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-37.3	179.6	-171.9	59.7	0	0	0	112.3	K38 Y39 E40 F45 C46 L104 L124 V127 I131 F159	K38-L42 WeakPolarHBondContact O-CB 3.4Å; K38-L42 PolarHBondContact O-N 2.89Å; Y39-L42 PolarHBondContact O-N 2.93Å; E40-L42 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 3.36Å; L42-C46 PolarHBondContact O-N 3.36Å; L42-C46 PolarHBondContact O-SG 3.25Å; L42-L104 HydrophobicContact CD2-CD1 4.35Å; L42-L104 HydrophobicContact CD2-CD2 4.13Å; L42-L104 HydrophobicContact CG-CD1 4.14Å; L42-L124 HydrophobicContact CD2-CB 4.01Å; L42-L124 HydrophobicContact CD2-CD2 3.6Å; L42-L124 HydrophobicContact CD2-CG 4.35Å; L42-V127 HydrophobicContact CD1-CG1 4.26Å; L42-V127 HydrophobicContact CD2-CB 3.91Å; L42-V127 HydrophobicContact CD2-CG1 3.85Å; L42-V127 HydrophobicContact CG-CG1 4.27Å; L42-I131 HydrophobicContact CD1-CD1 3.73Å; L42-F159 HydrophobicContact CD1-CE2 4.33Å
43	R	97.8	Very high	97.5	Very high	46 Å²	46	25.4 Å²	25.4	17%	0.174	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-42.3	172.4	-71.8	-172.8	68	-172.9	0.3	112.3	Y39 E40 H41 C46 L47 L104 N105	Y39-R43 HydrophobicContact CE2-CG 4.29Å; Y39-R43 VanDerWaalsContact CZ-CD 3.45Å; Y39-R43 WeakPolarHBondContact O-CG 3.4Å; Y39-R43 PolarHBondContact O-N 2.98Å; Y39-R43 VanDerWaalsContact O-N 3.07Å; Y39-R43 WeakPolarHBondContact OH-CD 3.34Å; Y39-R43 PolarHBondContact OH-NH1 2.89Å; E40-R43 PolarHBondContact O-N 3.49Å; E40-R43 IonicContact OE1-NH1 2.72Å; H41-R43 VanDerWaalsContact C-N 3.26Å; H41-R43 PolarHBondContact O-N 3.45Å; R43-C46 PolarHBondContact O-N 3.14Å; R43-L47 PolarHBondContact O-N 3.42Å; R43-L104 HydrophobicContact CG-CB 3.99Å; R43-L104 HydrophobicContact CG-CD1 3.88Å; R43-L104 HydrophobicContact CG-CG 4.37Å; R43-N105 PolarHBondContact NH2-OD1 3.47Å
44	Q	98.4	Very high	97.7	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.3	-176.7	56.8	39.6	0	0	111.4	I11 Q12 I15 E40 H41 C46 L47 E48	I11-Q44 HydrophobicContact CG2-CB 4.31Å; I11-Q44 HydrophobicContact CG2-CG 3.82Å; Q12-Q44 VanDerWaalsContact CG-OE1 3.26Å; I15-Q44 HydrophobicContact CD1-CG 3.76Å; E40-Q44 WeakPolarHBondContact O-CB 3.47Å; E40-Q44 PolarHBondContact O-N 3.46Å; H41-Q44 CarbonylContact O-C 3.53Å; H41-Q44 WeakPolarHBondContact O-CA 3.23Å; H41-Q44 WeakPolarHBondContact O-CB 3.2Å; H41-Q44 PolarHBondContact O-N 3.08Å; Q44-C46 PolarHBondContact O-N 3.37Å; Q44-L47 WeakPolarHBondContact O-CB 3.37Å; Q44-L47 PolarHBondContact O-N 3.49Å; Q44-L47 VanDerWaalsContact O-N 3.17Å; Q44-E48 WeakPolarHBondContact CG-OE2 3.33Å; Q44-E48 VanDerWaalsContact NE2-CD 3.32Å; Q44-E48 PolarHBondContact NE2-OE2 3.15Å; Q44-E48 PolarHBondContact O-N 3.47Å
45	F	98.6	Very high	97.7	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-44.3	172.7	-69.1	-57.4	0	0	0	112.5	H41 L42 L47 E48 L49 L155 R158 F159 F162	H41-F45 HydrophobicContact CB-CD2 4.36Å; H41-F45 HydrophobicContact CB-CE2 3.98Å; H41-F45 WeakPolarHBondContact O-CD2 3.32Å; H41-F45 WeakPolarHBondContact O-CG 3.33Å; H41-F45 PolarHBondContact O-N 2.96Å; L42-F45 PolarHBondContact O-N 3.36Å; F45-L47 VanDerWaalsContact C-N 3.29Å; F45-L47 PolarHBondContact O-N 3.13Å; F45-E48 PolarHBondContact O-N 2.81Å; F45-L49 WeakPolarHBondContact O-CB 3.35Å; F45-L49 PolarHBondContact O-N 3.15Å; F45-L155 HydrophobicContact CD1-CD1 3.68Å; F45-L155 HydrophobicContact CE1-CD1 4.28Å; F45-R158 HydrophobicContact CE1-CB 4.15Å; F45-R158 HydrophobicContact CE1-CG 3.82Å; F45-R158 HydrophobicContact CZ-CG 3.95Å; F45-F159 HydrophobicContact CB-CD2 4.01Å; F45-F159 HydrophobicContact CB-CE2 4.45Å; F45-F159 HydrophobicContact CD1-CB 4.05Å; F45-F159 AromaticContact CD1-CD2 3.92Å; F45-F159 HydrophobicContact CD1-CD2 3.92Å; F45-F159 AromaticContact CD2-CD2 3.75Å; F45-F159 HydrophobicContact CD2-CD2 3.75Å; F45-F159 HydrophobicContact CD2-CE2 4.29Å; F45-F159 HydrophobicContact CE1-CB 3.86Å; F45-F159 HydrophobicContact CE1-CD2 4.31Å; F45-F159 HydrophobicContact CE2-CD2 4.17Å; F45-F159 AromaticContact CG-CD2 3.64Å; F45-F159 HydrophobicContact CG-CD2 3.64Å; F45-F159 HydrophobicContact CG-CE2 4.39Å; F45-F159 HydrophobicContact CZ-CB 4.27Å; F45-F159 HydrophobicContact CZ-CD2 4.44Å; F45-F162 HydrophobicContact CD2-CD1 4.32Å; F45-F162 HydrophobicContact CE2-CB 3.91Å; F45-F162 AromaticContact CE2-CD1 3.53Å; F45-F162 HydrophobicContact CE2-CD1 3.53Å; F45-F162 HydrophobicContact CE2-CD2 4.13Å; F45-F162 HydrophobicContact CE2-CE1 4.02Å; F45-F162 AromaticContact CE2-CG 3.59Å; F45-F162 HydrophobicContact CE2-CG 3.59Å; F45-F162 HydrophobicContact CZ-CB 3.83Å; F45-F162 HydrophobicContact CZ-CD1 4.31Å; F45-F162 HydrophobicContact CZ-CG 4.03Å
46	C	97.9	Very high	97.8	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.068	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-39.9	175.6	-64.4	0	0	0	0	111.7	L42 R43 Q44 N50 I131	L42-C46 PolarHBondContact O-N 3.36Å; L42-C46 PolarHBondContact O-SG 3.25Å; R43-C46 PolarHBondContact O-N 3.14Å; Q44-C46 PolarHBondContact O-N 3.37Å; C46-N50 PolarHBondContact O-N 2.59Å; C46-N50 PolarHBondContact O-ND2 3Å; C46-I131 WeakPolarHBondContact SG-CD1 3.32Å
47	L	97.6	Very high	97.7	Very high	93 Å²	93	27.7 Å²	27.7	49%	0.487	15%	0.147	S	C	.	.	H	α-helix	trans	-62	-51.1	179.4	178.7	64.6	0	0	0	110.9	R43 Q44 F45 N50	R43-L47 PolarHBondContact O-N 3.42Å; Q44-L47 WeakPolarHBondContact O-CB 3.37Å; Q44-L47 PolarHBondContact O-N 3.49Å; Q44-L47 VanDerWaalsContact O-N 3.17Å; F45-L47 VanDerWaalsContact C-N 3.29Å; F45-L47 PolarHBondContact O-N 3.13Å; L47-N50 WeakPolarHBondContact O-CB 3.48Å; L47-N50 PolarHBondContact O-N 3.16Å; L47-N50 PolarHBondContact O-ND2 3.02Å
48	E	98.4	Very high	97.4	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-41.1	179.3	-69.8	172.8	93.9	0	0	111.4	Q44 F45 N50 G51 Y149 L155 R158	Q44-E48 WeakPolarHBondContact CG-OE2 3.33Å; Q44-E48 VanDerWaalsContact NE2-CD 3.32Å; Q44-E48 PolarHBondContact NE2-OE2 3.15Å; Q44-E48 PolarHBondContact O-N 3.47Å; F45-E48 PolarHBondContact O-N 2.81Å; E48-N50 PolarHBondContact O-N 3.44Å; E48-G51 WeakPolarHBondContact O-CA 3.46Å; E48-G51 PolarHBondContact O-N 3.01Å; E48-Y149 PolarHBondContact O-OH 3.04Å; E48-L155 HydrophobicContact CB-CD1 3.63Å; E48-L155 HydrophobicContact CB-CD2 3.79Å; E48-L155 HydrophobicContact CB-CG 4.36Å; E48-L155 HydrophobicContact CG-CD1 4.34Å; E48-R158 IonicContact OE1-CZ 2.68Å; E48-R158 IonicContact OE1-NH2 3.52Å; E48-R158 PolarHBondContact OE1-NH2 3.34Å; E48-R158 IonicContact OE2-CZ 3.59Å; E48-R158 IonicContact OE2-NH2 3.93Å; E48-R158 PolarHBondContact OE2-NH2 3.3Å
49	L	98.1	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-22.7	179.5	-170.7	63	0	0	0	113.8	F45 G51 L52 A53 L97 I131 I134 F135 L155	F45-L49 WeakPolarHBondContact O-CB 3.35Å; F45-L49 PolarHBondContact O-N 3.15Å; L49-G51 PolarHBondContact O-N 3.37Å; L49-L52 HydrophobicContact CD1-CB 4.1Å; L49-L52 HydrophobicContact CD1-CD2 3.8Å; L49-L52 HydrophobicContact CD1-CG 4.49Å; L49-L52 PolarHBondContact O-N 2.77Å; L49-A53 PolarHBondContact O-N 3.09Å; L49-L97 HydrophobicContact CB-CD2 4.09Å; L49-L97 HydrophobicContact CD2-CD2 3.83Å; L49-L97 HydrophobicContact CG-CD2 4.02Å; L49-I131 HydrophobicContact CD2-CB 4.27Å; L49-I131 HydrophobicContact CD2-CG1 4.19Å; L49-I131 HydrophobicContact CD2-CG2 3.62Å; L49-I134 HydrophobicContact CD1-CG2 4.14Å; L49-I134 HydrophobicContact CD2-CB 4.38Å; L49-I134 HydrophobicContact CD2-CD1 3.82Å; L49-I134 HydrophobicContact CD2-CG2 4.48Å; L49-I134 HydrophobicContact CG-CG2 4.5Å; L49-F135 HydrophobicContact CD1-CD1 4.15Å; L49-F135 HydrophobicContact CD1-CE1 3.58Å; L49-F135 HydrophobicContact CD1-CE2 4.4Å; L49-F135 HydrophobicContact CD1-CZ 3.71Å; L49-L155 HydrophobicContact CB-CD2 4.28Å; L49-L155 HydrophobicContact CD1-CD2 4.39Å
50	N	97.8	Very high	97.3	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	19%	0.19	S	C	.	.	H	α-helix	trans	-59.1	-33.2	169.4	-67	-57.5	0	0	0	112.1	C46 L47 E48 A53 V54	C46-N50 PolarHBondContact O-N 2.59Å; C46-N50 PolarHBondContact O-ND2 3Å; L47-N50 WeakPolarHBondContact O-CB 3.48Å; L47-N50 PolarHBondContact O-N 3.16Å; L47-N50 PolarHBondContact O-ND2 3.02Å; E48-N50 PolarHBondContact O-N 3.44Å; N50-A53 PolarHBondContact O-N 2.68Å; N50-V54 WeakPolarHBondContact O-CG2 3.17Å; N50-V54 PolarHBondContact O-N 3.33Å
51	G	97.6	Very high	97.2	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-47	174.8	0	0	0	0	0	112.1	E48 L49 A53 V54 K55	E48-G51 WeakPolarHBondContact O-CA 3.46Å; E48-G51 PolarHBondContact O-N 3.01Å; L49-G51 PolarHBondContact O-N 3.37Å; G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.15Å; G51-V54 PolarHBondContact O-N 3.49Å; G51-K55 PolarHBondContact O-N 3.15Å; G51-K55 VanDerWaalsContact O-N 3.08Å
52	L	97.8	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-43.1	173.5	-177.9	60.1	0	0	0	111.3	L49 V54 K55 L56 F135 A138 I145 Y149	L49-L52 HydrophobicContact CD1-CB 4.1Å; L49-L52 HydrophobicContact CD1-CD2 3.8Å; L49-L52 HydrophobicContact CD1-CG 4.49Å; L49-L52 PolarHBondContact O-N 2.77Å; L52-V54 VanDerWaalsContact C-N 3.27Å; L52-V54 PolarHBondContact O-N 3.22Å; L52-K55 PolarHBondContact O-N 2.89Å; L52-K55 VanDerWaalsContact O-N 3.15Å; L52-L56 HydrophobicContact CD1-CG 4.45Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.42Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-F135 HydrophobicContact CD2-CD1 4.06Å; L52-F135 HydrophobicContact CD2-CE1 4.25Å; L52-A138 HydrophobicContact CD2-CB 4.04Å; L52-I145 HydrophobicContact CD1-CG2 3.8Å; L52-Y149 HydrophobicContact CB-CD1 3.83Å; L52-Y149 HydrophobicContact CB-CE1 3.85Å; L52-Y149 HydrophobicContact CB-CG 4.21Å; L52-Y149 HydrophobicContact CD1-CD1 4.07Å; L52-Y149 HydrophobicContact CD1-CG 3.98Å; L52-Y149 HydrophobicContact CG-CD1 4.36Å
53	A	97.4	Very high	96.9	Very high	8 Å²	8	48.3 Å²	48.3	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-33.7	177.3	0	0	0	0	0	112.7	L49 N50 G51 Q57 T93 L97	L49-A53 PolarHBondContact O-N 3.09Å; N50-A53 PolarHBondContact O-N 2.68Å; G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.15Å; A53-Q57 WeakPolarHBondContact O-CG 3.28Å; A53-Q57 PolarHBondContact O-N 2.72Å; A53-Q57 PolarHBondContact O-NE2 3.22Å; A53-T93 HydrophobicContact CB-CG2 3.78Å; A53-L97 HydrophobicContact CB-CD1 3.61Å
54	V	97.7	Very high	96.7	Very high	96 Å²	96	50.8 Å²	50.8	58%	0.582	28%	0.283	S	S	*	.	H	α-helix	trans	-67.5	-45.2	172.9	168.9	0	0	0	0	110.9	N50 G51 L52 L56 Q57	N50-V54 WeakPolarHBondContact O-CG2 3.17Å; N50-V54 PolarHBondContact O-N 3.33Å; G51-V54 PolarHBondContact O-N 3.49Å; L52-V54 VanDerWaalsContact C-N 3.27Å; L52-V54 PolarHBondContact O-N 3.22Å; V54-L56 VanDerWaalsContact C-N 3.35Å; V54-L56 PolarHBondContact O-N 3.33Å; V54-Q57 WeakPolarHBondContact O-CB 3.19Å; V54-Q57 PolarHBondContact O-N 3.02Å
55	K	97.2	Very high	96.6	Very high	62 Å²	62	50.9 Å²	50.9	27%	0.27	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-45.6	176	-68.2	-166.8	176.1	-152.8	0	111.3	G51 L52 Q57 S58 I145 Y149 E152	G51-K55 PolarHBondContact O-N 3.15Å; G51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 2.89Å; L52-K55 VanDerWaalsContact O-N 3.15Å; K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 3.45Å; K55-S58 PolarHBondContact O-N 3.22Å; K55-S58 PolarHBondContact O-OG 2.82Å; K55-I145 HydrophobicContact CB-CG2 3.68Å; K55-Y149 HydrophobicContact CD-CD2 3.94Å; K55-E152 IonicContact NZ-OE1 3.73Å; K55-E152 IonicContact NZ-OE2 2.8Å; K55-E152 PolarHBondContact NZ-OE2 3.01Å
56	L	97.4	Very high	96.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-30.9	177.8	-73.3	171.6	0	0	0	113.6	L52 V54 S58 E59 C60 I90 A138 H142 I145	L52-L56 HydrophobicContact CD1-CG 4.45Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.42Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 3.33Å; V54-L56 VanDerWaalsContact C-N 3.35Å; V54-L56 PolarHBondContact O-N 3.33Å; L56-S58 PolarHBondContact O-N 2.86Å; L56-E59 PolarHBondContact O-N 3.4Å; L56-E59 VanDerWaalsContact O-N 3.11Å; L56-C60 HydrophobicContact CB-CB 4.26Å; L56-C60 WeakPolarHBondContact O-CB 3.21Å; L56-C60 PolarHBondContact O-N 3.33Å; L56-I90 HydrophobicContact CB-CD1 4.32Å; L56-A138 HydrophobicContact CD1-CB 4.34Å; L56-A138 HydrophobicContact CD2-CB 4.32Å; L56-H142 HydrophobicContact CD2-CB 3.69Å; L56-I145 HydrophobicContact CD2-CD1 4.38Å; L56-I145 HydrophobicContact CD2-CG2 4.13Å; L56-I145 HydrophobicContact CG-CG2 4.37Å
57	Q	94.8	Very high	96.5	Very high	90 Å²	90	57 Å²	57	42%	0.421	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.5	-179.8	-78.7	172.9	61	0	0	114	A53 V54 K55 I90	A53-Q57 WeakPolarHBondContact O-CG 3.28Å; A53-Q57 PolarHBondContact O-N 2.72Å; A53-Q57 PolarHBondContact O-NE2 3.22Å; V54-Q57 WeakPolarHBondContact O-CB 3.19Å; V54-Q57 PolarHBondContact O-N 3.02Å; K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 3.45Å; Q57-I90 HydrophobicContact CG-CD1 3.85Å; Q57-I90 HydrophobicContact CG-CG1 4.33Å
58	S	92.4	Very high	96.4	Very high	80 Å²	80	52.7 Å²	52.7	56%	0.559	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.5	178.6	64.7	0	0	0	0	114.1	K55 L56 H61	K55-S58 PolarHBondContact O-N 3.22Å; K55-S58 PolarHBondContact O-OG 2.82Å; L56-S58 PolarHBondContact O-N 2.86Å; S58-H61 PolarHBondContact O-NE2 3.48Å
59	E	94.5	Very high	96.3	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-27.4	-173	-65.8	-174.7	-170.7	0	0	114.4	L56 H61 I145	L56-E59 PolarHBondContact O-N 3.4Å; L56-E59 VanDerWaalsContact O-N 3.11Å; E59-H61 PolarHBondContact O-CD2 2.95Å; E59-H61 PolarHBondContact O-N 2.84Å; E59-I145 HydrophobicContact CB-CD1 3.98Å; E59-I145 HydrophobicContact CG-CD1 3.96Å; E59-I145 WeakPolarHBondContact OE2-CD1 3.44Å
60	C	97.1	Very high	95.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.02	30%	0.299	C	S	.	.			trans	-84.5	100.3	178.9	-177.2	0	0	0	0	109.7	L56 I90 H142	L56-C60 HydrophobicContact CB-CB 4.26Å; L56-C60 WeakPolarHBondContact O-CB 3.21Å; L56-C60 PolarHBondContact O-N 3.33Å; C60-I90 HydrophobicContact CB-CB 4.44Å; C60-I90 HydrophobicContact CB-CD1 4.36Å; C60-H142 WeakPolarHBondContact CB-NE2 3.5Å
61	H	96.6	Very high	95.3	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.389	30%	0.295	S	S	.	.			trans	-111.4	154.2	-177.9	-60.7	-53.5	0	0	0	112	S58 E59 D63 T64 C65	S58-H61 PolarHBondContact O-NE2 3.48Å; E59-H61 PolarHBondContact O-CD2 2.95Å; E59-H61 PolarHBondContact O-N 2.84Å; H61-D63 PolarHBondContact O-N 3.02Å; H61-D63 VanDerWaalsContact O-N 3.16Å; H61-T64 PolarHBondContact N-OG1 3.5Å; H61-T64 PolarHBondContact O-N 2.88Å; H61-T64 PolarHBondContact O-OG1 2.7Å; H61-C65 PolarHBondContact O-N 3.07Å
62	P	96.1	Very high	94.5	Very high	57 Å²	57	60.2 Å²	60.2	37%	0.37	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.2	176.7	-26.8	36.4	0	0	0	114.8	T66 P88 I90	P62-T66 VanDerWaalsContact O-CA 3.28Å; P62-T66 WeakPolarHBondContact O-CA 3.15Å; P62-T66 WeakPolarHBondContact O-CG2 3.29Å; P62-P88 HydrophobicContact CB-CB 4.04Å; P62-P88 HydrophobicContact CB-CG 3.98Å; P62-P88 HydrophobicContact CG-CB 4.41Å; P62-I90 HydrophobicContact CG-CG2 4.25Å
63	D	94.5	Very high	93.7	Very high	150 Å²	150	67.5 Å²	67.5	80%	0.802	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-26.6	-178.5	-53.6	-37.3	0	0	0	112.6	H61	H61-D63 PolarHBondContact O-N 3.02Å; H61-D63 VanDerWaalsContact O-N 3.16Å
64	T	93.4	Very high	93.2	Very high	98 Å²	98	75.9 Å²	75.9	60%	0.601	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-42.8	179.5	52.7	0	0	0	0	111.8	H61	H61-T64 PolarHBondContact N-OG1 3.5Å; H61-T64 PolarHBondContact O-N 2.88Å; H61-T64 PolarHBondContact O-OG1 2.7Å
65	C	96.7	Very high	92.8	Very high	16 Å²	16	74.7 Å²	74.7	11%	0.108	38%	0.38	C	S	.	.			trans	-112.7	64.9	179.4	-56.7	0	0	0	0	109.6	H61 Q67 P88 A89 H142	H61-C65 PolarHBondContact O-N 3.07Å; C65-Q67 PolarHBondContact O-N 3.07Å; C65-P88 CarbonylContact O-C 3.48Å; C65-P88 VanDerWaalsContact O-CA 3.26Å; C65-P88 WeakPolarHBondContact O-CA 3.35Å; C65-A89 HydrophobicContact CB-CB 3.78Å; C65-A89 PolarHBondContact O-N 2.87Å; C65-H142 PolarHBondContact SG-NE2 3.45Å
66	T	96.4	Very high	92.7	Very high	82 Å²	82	73.4 Å²	73.4	50%	0.503	38%	0.375	S	S	.	.			trans	-62.8	-21.5	-175.3	57.5	0	0	0	0	113.5	P62 C87 P88	P62-T66 VanDerWaalsContact O-CA 3.28Å; P62-T66 WeakPolarHBondContact O-CA 3.15Å; P62-T66 WeakPolarHBondContact O-CG2 3.29Å; T66-C87 CarbonylContact O-C 3.59Å; T66-P88 VanDerWaalsContact O-CA 3.31Å; T66-P88 WeakPolarHBondContact O-CA 3.39Å
67	Q	96.1	Very high	92.6	Very high	59 Å²	59	77.2 Å²	77.2	28%	0.276	40%	0.395	S	S	.	.	S	Bend	trans	-136.9	151.9	-179.4	-66.3	171.5	-30.8	0	0	110.7	C65 T69 I75 E86 C87	C65-Q67 PolarHBondContact O-N 3.07Å; Q67-T69 HydrophobicContact CB-CG2 4.31Å; Q67-T69 PolarHBondContact O-N 2.91Å; Q67-I75 HydrophobicContact CB-CG2 4.34Å; Q67-E86 VanDerWaalsContact NE2-CD 3.34Å; Q67-E86 PolarHBondContact NE2-OE2 3.43Å; Q67-C87 CarbonylContact C-O 3.56Å; Q67-C87 WeakPolarHBondContact CA-O 3.47Å
68	M	97.1	Very high	92.6	Very high	1 Å²	1	73 Å²	73	1%	0.005	38%	0.375	C	S	.	.			trans	-79.8	96.8	172.9	-173.9	71.9	-178.6	0	0	110.8	F76 C87 A89 Y92 R133 I134 H137	M68-F76 HydrophobicContact CB-CB 4.25Å; M68-F76 HydrophobicContact CG-CB 3.89Å; M68-F76 HydrophobicContact CG-CD2 4.05Å; M68-F76 HydrophobicContact CG-CG 4.49Å; M68-F76 WeakPolarHBondContact O-CB 3.24Å; M68-F76 PolarHBondContact O-N 3.46Å; M68-C87 PolarHBondContact N-O 3.29Å; M68-C87 VanDerWaalsContact N-O 3.13Å; M68-A89 HydrophobicContact SD-CB 3.83Å; M68-Y92 HydrophobicContact CB-CD1 4.27Å; M68-Y92 HydrophobicContact CB-CD2 3.63Å; M68-Y92 HydrophobicContact CB-CE2 4.3Å; M68-Y92 HydrophobicContact CB-CG 3.63Å; M68-Y92 HydrophobicContact CE-CD1 3.66Å; M68-Y92 HydrophobicContact CE-CE1 3.95Å; M68-Y92 HydrophobicContact CE-CG 4.44Å; M68-Y92 HydrophobicContact CG-CD1 3.5Å; M68-Y92 HydrophobicContact CG-CD2 3.67Å; M68-Y92 HydrophobicContact CG-CE1 3.93Å; M68-Y92 HydrophobicContact CG-CE2 4.06Å; M68-Y92 HydrophobicContact CG-CG 3.4Å; M68-Y92 HydrophobicContact SD-CD1 3.56Å; M68-Y92 VanDerWaalsContact SD-CD1 3.56Å; M68-Y92 HydrophobicContact SD-CE1 4.32Å; M68-Y92 HydrophobicContact SD-CG 3.76Å; M68-R133 HydrophobicContact CE-CB 3.84Å; M68-R133 WeakPolarHBondContact CE-O 3.38Å; M68-I134 HydrophobicContact CE-CG1 4.19Å; M68-H137 HydrophobicContact CE-CB 3.65Å; M68-H137 HydrophobicContact SD-CB 4.12Å
69	T	95.8	Very high	92.6	Very high	27 Å²	27	72 Å²	72	17%	0.166	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.7	177.8	55.4	0	0	0	0	111.1	Q67 I75 H137 H141	Q67-T69 HydrophobicContact CB-CG2 4.31Å; Q67-T69 PolarHBondContact O-N 2.91Å; T69-I75 HydrophobicContact CG2-CG1 4Å; T69-H137 WeakPolarHBondContact O-CB 3.48Å; T69-H137 PolarHBondContact O-ND1 3.25Å; T69-H141 PolarHBondContact O-CD2 3.45Å; T69-H141 PolarHBondContact O-NE2 3.32Å; T69-H141 PolarHBondContact OG1-NE2 2.94Å
70	A	88.8	Confident	92.5	Very high	3 Å²	3	70.6 Å²	70.6	3%	0.025	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	-32.7	165	0	0	0	0	0	111.5	F76 S136 F140 I175	A70-F76 HydrophobicContact CB-CE2 3.8Å; A70-F76 HydrophobicContact CB-CZ 4.28Å; A70-S136 VanDerWaalsContact CB-CB 3.47Å; A70-F140 HydrophobicContact CB-CD2 3.98Å; A70-F140 WeakPolarHBondContact O-CB 3.3Å; A70-F140 VanDerWaalsContact O-CD2 3.3Å; A70-F140 WeakPolarHBondContact O-CD2 3.15Å; A70-F140 WeakPolarHBondContact O-CG 3.2Å; A70-I175 HydrophobicContact CB-CD1 3.64Å
71	T	86.5	Confident	92.3	Very high	49 Å²	49	72.9 Å²	72.9	30%	0.301	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.2	170	68.6	0	0	0	0	108.6	Q73 I175	T71-Q73 PolarHBondContact O-N 3.01Å; T71-Q73 VanDerWaalsContact O-N 3.13Å; T71-I175 HydrophobicContact CG2-CD1 4.41Å
72	E	81	Confident	92	Very high	206 Å²	206	79.5 Å²	79.5	96%	0.963	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.7	178.4	-60.6	-176.3	168.2	0	0	113.7
73	Q	81.1	Confident	91.9	Very high	154 Å²	154	82.1 Å²	82.1	72%	0.72	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-29	-172.2	-66.1	179.8	-14	0	0	113.6	T71	T71-Q73 PolarHBondContact O-N 3.01Å; T71-Q73 VanDerWaalsContact O-N 3.13Å
74	W	85.4	Confident	91.9	Very high	185 Å²	185	78.5 Å²	78.5	70%	0.701	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.7	-169.6	-60.5	102	0	0	0	112.7
75	I	91	Very high	92.1	Very high	70 Å²	70	79.2 Å²	79.2	36%	0.359	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133	173.2	-58.4	165.8	0	0	0	109.4	Q67 T69 E86	Q67-I75 HydrophobicContact CB-CG2 4.34Å; T69-I75 HydrophobicContact CG2-CG1 4Å; I75-E86 HydrophobicContact CG2-CG 4.11Å
76	F	93.6	Very high	92.1	Very high	36 Å²	36	83.1 Å²	83.1	16%	0.158	43%	0.425	C	S	.	.			trans	-89.8	107.7	175.8	-58.8	-50.6	0	0	0	111.5	M68 A70 Y92 R133	M68-F76 HydrophobicContact CB-CB 4.25Å; M68-F76 HydrophobicContact CG-CB 3.89Å; M68-F76 HydrophobicContact CG-CD2 4.05Å; M68-F76 HydrophobicContact CG-CG 4.49Å; M68-F76 WeakPolarHBondContact O-CB 3.24Å; M68-F76 PolarHBondContact O-N 3.46Å; A70-F76 HydrophobicContact CB-CE2 3.8Å; A70-F76 HydrophobicContact CB-CZ 4.28Å; F76-Y92 HydrophobicContact CB-CE2 4.21Å; F76-Y92 WeakPolarHBondContact O-CE2 3.13Å; F76-R133 HydrophobicContact CD1-CG 3.92Å; F76-R133 HydrophobicContact CD2-CB 3.8Å; F76-R133 HydrophobicContact CD2-CG 3.67Å; F76-R133 HydrophobicContact CE1-CG 3.97Å; F76-R133 HydrophobicContact CE2-CB 3.96Å; F76-R133 HydrophobicContact CE2-CG 3.72Å; F76-R133 HydrophobicContact CG-CB 4.27Å; F76-R133 HydrophobicContact CG-CG 3.77Å; F76-R133 HydrophobicContact CZ-CG 3.88Å
77	L	95.2	Very high	92.1	Very high	80 Å²	80	79.6 Å²	79.6	42%	0.419	40%	0.403	S	S	.	.			trans	-70.7	138.4	175.9	-56.2	-178.8	0	0	0	112.1	P84 E86	L77-P84 HydrophobicContact CB-CB 3.92Å; L77-P84 HydrophobicContact CD1-CB 4.35Å; L77-E86 HydrophobicContact CD2-CG 3.74Å
78	C	95.3	Very high	92.2	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.007	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-82.3	122.4	-178.7	-169.7	0	0	0	0	111.5	A80 P84 K85 C87 Y92	C78-A80 VanDerWaalsContact C-N 3.34Å; C78-P84 WeakPolarHBondContact O-CA 3.03Å; C78-K85 WeakPolarHBondContact CB-O 3.48Å; C78-K85 PolarHBondContact N-O 3.48Å; C78-K85 PolarHBondContact O-N 3.03Å; C78-C87 HydrophobicContact CB-CB 4.18Å; C78-C87 VanDerWaalsContact CB-SG 3.58Å; C78-Y92 HydrophobicContact CB-CD2 3.72Å; C78-Y92 HydrophobicContact CB-CE2 4.03Å
79	A	93.3	Very high	92.2	Very high	58 Å²	58	78.2 Å²	78.2	48%	0.479	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.5	-178	0	0	0	0	0	114.2	H81	A79-H81 PolarHBondContact O-N 3.44Å
80	A	92.2	Very high	92.3	Very high	63 Å²	63	77.1 Å²	77.1	52%	0.521	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.7	176.8	0	0	0	0	0	113.2	C78 H95	C78-A80 VanDerWaalsContact C-N 3.34Å; A80-H95 HydrophobicContact CB-CB 3.78Å
81	H	92.7	Very high	92.8	Very high	51 Å²	51	79.1 Å²	79.1	24%	0.236	40%	0.403	C	S	.	.	S	Bend	trans	-104.1	154.6	-178.8	-52	-62.1	0	0	0	111.1	A79 T83 K85 C87 H95	A79-H81 PolarHBondContact O-N 3.44Å; H81-T83 WeakPolarHBondContact CB-O 3.49Å; H81-T83 PolarHBondContact O-N 2.89Å; H81-K85 HydrophobicContact CB-CG 4.12Å; H81-K85 WeakPolarHBondContact CD2-CE 3.42Å; H81-K85 WeakPolarHBondContact CD2-CG 3.46Å; H81-K85 WeakPolarHBondContact CE1-CE 3.49Å; H81-K85 VanDerWaalsContact CG-CE 3.41Å; H81-K85 WeakPolarHBondContact ND1-CE 3.44Å; H81-K85 WeakPolarHBondContact NE2-CE 3.38Å; H81-C87 PolarHBondContact NE2-SG 3.27Å; H81-H95 AromaticContact CE1-CE1 3.74Å; H81-H95 AromaticContact NE2-CE1 3.81Å; H81-H95 AromaticContact NE2-ND1 3.78Å
82	K	90.4	Very high	93.3	Very high	224 Å²	224	76.8 Å²	76.8	97%	0.974	39%	0.389	S	S	*	.	S	Bend	trans	-52.2	-42.9	178.2	-71.7	-173.1	179.3	-179.3	0	112.1
83	T	94.1	Very high	94.1	Very high	112 Å²	112	67 Å²	67	69%	0.687	34%	0.343	S	S	*	.	S	Bend	trans	-114.1	126.1	169.6	-53.8	0	0	0	0	107.3	H81 K85	H81-T83 WeakPolarHBondContact CB-O 3.49Å; H81-T83 PolarHBondContact O-N 2.89Å; T83-K85 PolarHBondContact O-N 2.9Å
84	P	94.9	Very high	94.9	Very high	74 Å²	74	64.6 Å²	64.6	48%	0.481	33%	0.328	S	S	.	.			trans	-52.7	131.2	177.2	-27.1	35	0	0	0	111.2	L77 C78	L77-P84 HydrophobicContact CB-CB 3.92Å; L77-P84 HydrophobicContact CD1-CB 4.35Å; C78-P84 WeakPolarHBondContact O-CA 3.03Å
85	K	95.8	Very high	95.5	Very high	112 Å²	112	58.7 Å²	58.7	49%	0.487	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-141.9	165.5	-178.2	64.5	164	-173.6	167.6	0	111.4	C78 H81 T83	C78-K85 WeakPolarHBondContact CB-O 3.48Å; C78-K85 PolarHBondContact N-O 3.48Å; C78-K85 PolarHBondContact O-N 3.03Å; H81-K85 HydrophobicContact CB-CG 4.12Å; H81-K85 WeakPolarHBondContact CD2-CE 3.42Å; H81-K85 WeakPolarHBondContact CD2-CG 3.46Å; H81-K85 WeakPolarHBondContact CE1-CE 3.49Å; H81-K85 VanDerWaalsContact CG-CE 3.41Å; H81-K85 WeakPolarHBondContact ND1-CE 3.44Å; H81-K85 WeakPolarHBondContact NE2-CE 3.38Å; T83-K85 PolarHBondContact O-N 2.9Å
86	E	96.8	Very high	95.8	Very high	99 Å²	99	55.6 Å²	55.6	46%	0.463	29%	0.292	S	S	.	.			trans	-66.6	144.7	173	-61.1	172.3	-164.7	0	0	110.6	Q67 I75 L77	Q67-E86 VanDerWaalsContact NE2-CD 3.34Å; Q67-E86 PolarHBondContact NE2-OE2 3.43Å; I75-E86 HydrophobicContact CG2-CG 4.11Å; L77-E86 HydrophobicContact CD2-CG 3.74Å
87	C	97.5	Very high	96	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.047	29%	0.287	C	S	.	.			trans	-141.2	149.9	172.1	-70.4	0	0	0	0	107.9	T66 Q67 M68 C78 H81 D91	T66-C87 CarbonylContact O-C 3.59Å; Q67-C87 CarbonylContact C-O 3.56Å; Q67-C87 WeakPolarHBondContact CA-O 3.47Å; M68-C87 PolarHBondContact N-O 3.29Å; M68-C87 VanDerWaalsContact N-O 3.13Å; C78-C87 HydrophobicContact CB-CB 4.18Å; C78-C87 VanDerWaalsContact CB-SG 3.58Å; H81-C87 PolarHBondContact NE2-SG 3.27Å; C87-D91 HydrophobicContact CB-CB 4.46Å
88	P	97.9	Very high	96.1	Very high	31 Å²	31	55.3 Å²	55.3	20%	0.201	29%	0.293	C	S	.	.			trans	-47.8	144	161.9	-28.5	37.1	0	0	0	111.6	P62 C65 T66 I90 D91 Y92	P62-P88 HydrophobicContact CB-CB 4.04Å; P62-P88 HydrophobicContact CB-CG 3.98Å; P62-P88 HydrophobicContact CG-CB 4.41Å; C65-P88 CarbonylContact O-C 3.48Å; C65-P88 VanDerWaalsContact O-CA 3.26Å; C65-P88 WeakPolarHBondContact O-CA 3.35Å; T66-P88 VanDerWaalsContact O-CA 3.31Å; T66-P88 WeakPolarHBondContact O-CA 3.39Å; P88-I90 PolarHBondContact O-N 3.47Å; P88-D91 HydrophobicContact CB-CB 4.38Å; P88-D91 PolarHBondContact O-N 3.04Å; P88-Y92 PolarHBondContact O-N 3.26Å
89	A	97.7	Very high	96.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-36.4	-173.1	0	0	0	0	0	112.6	C65 M68 Y92 T93 H137	C65-A89 HydrophobicContact CB-CB 3.78Å; C65-A89 PolarHBondContact O-N 2.87Å; M68-A89 HydrophobicContact SD-CB 3.83Å; A89-Y92 PolarHBondContact O-N 2.91Å; A89-T93 WeakPolarHBondContact O-CB 3.25Å; A89-T93 PolarHBondContact O-N 3.18Å; A89-T93 PolarHBondContact O-OG1 3.08Å; A89-H137 WeakPolarHBondContact CB-CE1 3.29Å; A89-H137 WeakPolarHBondContact CB-NE2 3.44Å
90	I	97.8	Very high	96.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-38.2	176.6	-165	58.7	0	0	0	112.3	L56 Q57 C60 P62 P88 T93 R94	L56-I90 HydrophobicContact CB-CD1 4.32Å; Q57-I90 HydrophobicContact CG-CD1 3.85Å; Q57-I90 HydrophobicContact CG-CG1 4.33Å; C60-I90 HydrophobicContact CB-CB 4.44Å; C60-I90 HydrophobicContact CB-CD1 4.36Å; P62-I90 HydrophobicContact CG-CG2 4.25Å; P88-I90 PolarHBondContact O-N 3.47Å; I90-T93 WeakPolarHBondContact O-CB 3.42Å; I90-T93 PolarHBondContact O-N 2.87Å; I90-R94 WeakPolarHBondContact O-CG 3.47Å; I90-R94 PolarHBondContact O-N 3.13Å; I90-R94 VanDerWaalsContact O-N 3.08Å
91	D	97.8	Very high	96.5	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-73.2	-38.9	177.1	-65.4	-29.3	0	0	0	111.1	C87 P88 T93 R94 H95	C87-D91 HydrophobicContact CB-CB 4.46Å; P88-D91 HydrophobicContact CB-CB 4.38Å; P88-D91 PolarHBondContact O-N 3.04Å; D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 PolarHBondContact O-N 2.85Å; D91-R94 PolarHBondContact O-N 3.3Å; D91-R94 IonicContact OD1-NH1 3.29Å; D91-R94 PolarHBondContact OD1-NH1 3.29Å; D91-R94 VanDerWaalsContact OD1-NH1 3.1Å; D91-H95 VanDerWaalsContact O-CB 3.31Å; D91-H95 WeakPolarHBondContact O-CB 3.39Å; D91-H95 PolarHBondContact O-N 3.41Å; D91-H95 PolarHBondContact O-ND1 3.22Å
92	Y	98.3	Very high	96.7	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-44.6	170.8	-175.3	-78	0	0	0	111.4	M68 F76 C78 P88 A89 H95 T96 R133	M68-Y92 HydrophobicContact CB-CD1 4.27Å; M68-Y92 HydrophobicContact CB-CD2 3.63Å; M68-Y92 HydrophobicContact CB-CE2 4.3Å; M68-Y92 HydrophobicContact CB-CG 3.63Å; M68-Y92 HydrophobicContact CE-CD1 3.66Å; M68-Y92 HydrophobicContact CE-CE1 3.95Å; M68-Y92 HydrophobicContact CE-CG 4.44Å; M68-Y92 HydrophobicContact CG-CD1 3.5Å; M68-Y92 HydrophobicContact CG-CD2 3.67Å; M68-Y92 HydrophobicContact CG-CE1 3.93Å; M68-Y92 HydrophobicContact CG-CE2 4.06Å; M68-Y92 HydrophobicContact CG-CG 3.4Å; M68-Y92 HydrophobicContact SD-CD1 3.56Å; M68-Y92 VanDerWaalsContact SD-CD1 3.56Å; M68-Y92 HydrophobicContact SD-CE1 4.32Å; M68-Y92 HydrophobicContact SD-CG 3.76Å; F76-Y92 HydrophobicContact CB-CE2 4.21Å; F76-Y92 WeakPolarHBondContact O-CE2 3.13Å; C78-Y92 HydrophobicContact CB-CD2 3.72Å; C78-Y92 HydrophobicContact CB-CE2 4.03Å; P88-Y92 PolarHBondContact O-N 3.26Å; A89-Y92 PolarHBondContact O-N 2.91Å; Y92-H95 PolarHBondContact O-N 3.29Å; Y92-T96 WeakPolarHBondContact CD1-OG1 3.28Å; Y92-T96 WeakPolarHBondContact CE1-OG1 3.36Å; Y92-T96 VanDerWaalsContact O-CB 3.24Å; Y92-T96 WeakPolarHBondContact O-CB 3.47Å; Y92-T96 PolarHBondContact O-N 2.84Å; Y92-T96 PolarHBondContact O-OG1 3.11Å; Y92-R133 HydrophobicContact CE1-CB 4.42Å; Y92-R133 WeakPolarHBondContact OH-CD 3.29Å; Y92-R133 PolarHBondContact OH-NH1 3.05Å
93	T	97.8	Very high	96.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-50.8	179.2	-63.9	0	0	0	0	110.5	A53 A89 I90 D91 T96 L97 I134	A53-T93 HydrophobicContact CB-CG2 3.78Å; A89-T93 WeakPolarHBondContact O-CB 3.25Å; A89-T93 PolarHBondContact O-N 3.18Å; A89-T93 PolarHBondContact O-OG1 3.08Å; I90-T93 WeakPolarHBondContact O-CB 3.42Å; I90-T93 PolarHBondContact O-N 2.87Å; D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 PolarHBondContact O-N 2.85Å; T93-T96 PolarHBondContact O-N 2.96Å; T93-L97 HydrophobicContact CG2-CD1 4.04Å; T93-L97 WeakPolarHBondContact O-CG 3.37Å; T93-L97 PolarHBondContact O-N 3.23Å; T93-I134 HydrophobicContact CG2-CD1 4.07Å; T93-I134 HydrophobicContact CG2-CG1 4.29Å; T93-I134 HydrophobicContact CG2-CG2 3.89Å
94	R	97.4	Very high	97	Very high	103 Å²	103	40.3 Å²	40.3	39%	0.389	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-54.2	175.4	-69.5	171.5	-177.9	146.4	-3.4	111.8	I90 D91 T96 L97 D98	I90-R94 WeakPolarHBondContact O-CG 3.47Å; I90-R94 PolarHBondContact O-N 3.13Å; I90-R94 VanDerWaalsContact O-N 3.08Å; D91-R94 PolarHBondContact O-N 3.3Å; D91-R94 IonicContact OD1-NH1 3.29Å; D91-R94 PolarHBondContact OD1-NH1 3.29Å; D91-R94 VanDerWaalsContact OD1-NH1 3.1Å; R94-T96 PolarHBondContact O-N 2.8Å; R94-L97 PolarHBondContact O-N 2.87Å; R94-D98 WeakPolarHBondContact O-CB 3.26Å; R94-D98 PolarHBondContact O-N 3.25Å
95	H	97.9	Very high	97	Very high	61 Å²	61	41.1 Å²	41.1	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-56.3	-37.1	178.7	-69.7	161.1	0	0	0	113	A80 H81 D91 Y92 G99	A80-H95 HydrophobicContact CB-CB 3.78Å; H81-H95 AromaticContact CE1-CE1 3.74Å; H81-H95 AromaticContact NE2-CE1 3.81Å; H81-H95 AromaticContact NE2-ND1 3.78Å; D91-H95 VanDerWaalsContact O-CB 3.31Å; D91-H95 WeakPolarHBondContact O-CB 3.39Å; D91-H95 PolarHBondContact O-N 3.41Å; D91-H95 PolarHBondContact O-ND1 3.22Å; Y92-H95 PolarHBondContact O-N 3.29Å; H95-G99 PolarHBondContact O-N 3.49Å
96	T	97.7	Very high	97	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-70.9	-46.5	179.3	-67.1	0	0	0	0	111.6	Y92 T93 R94 G99 A100 R130 I134	Y92-T96 WeakPolarHBondContact CD1-OG1 3.28Å; Y92-T96 WeakPolarHBondContact CE1-OG1 3.36Å; Y92-T96 VanDerWaalsContact O-CB 3.24Å; Y92-T96 WeakPolarHBondContact O-CB 3.47Å; Y92-T96 PolarHBondContact O-N 2.84Å; Y92-T96 PolarHBondContact O-OG1 3.11Å; T93-T96 PolarHBondContact O-N 2.96Å; R94-T96 PolarHBondContact O-N 2.8Å; T96-G99 PolarHBondContact O-N 2.97Å; T96-A100 WeakPolarHBondContact O-CB 3.28Å; T96-A100 PolarHBondContact O-N 3.33Å; T96-R130 HydrophobicContact CG2-CB 3.69Å; T96-I134 HydrophobicContact CG2-CD1 3.78Å
97	L	97.8	Very high	96.8	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-45.6	178.3	-73.6	169.9	0	0	0	111.5	L49 A53 T93 R94 G99 A100 A101 I134	L49-L97 HydrophobicContact CB-CD2 4.09Å; L49-L97 HydrophobicContact CD2-CD2 3.83Å; L49-L97 HydrophobicContact CG-CD2 4.02Å; A53-L97 HydrophobicContact CB-CD1 3.61Å; T93-L97 HydrophobicContact CG2-CD1 4.04Å; T93-L97 WeakPolarHBondContact O-CG 3.37Å; T93-L97 PolarHBondContact O-N 3.23Å; R94-L97 PolarHBondContact O-N 2.87Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.38Å; L97-A100 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.2Å; L97-A101 PolarHBondContact O-N 3.42Å; L97-I134 HydrophobicContact CG-CD1 4.32Å
98	D	97.2	Very high	96.7	Very high	100 Å²	100	46.4 Å²	46.4	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.5	-71	-21	0	0	0	111.2	R94 A100 A101 C102	R94-D98 WeakPolarHBondContact O-CB 3.26Å; R94-D98 PolarHBondContact O-N 3.25Å; D98-A100 PolarHBondContact O-N 2.79Å; D98-A101 PolarHBondContact O-N 2.74Å; D98-C102 WeakPolarHBondContact O-CB 3.48Å; D98-C102 PolarHBondContact O-N 3.03Å; D98-C102 PolarHBondContact O-SG 3.11Å
99	G	96.6	Very high	96.4	Very high	26 Å²	26	48.8 Å²	48.8	27%	0.268	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-39.3	177	0	0	0	0	0	112.8	H95 T96 L97 L103	H95-G99 PolarHBondContact O-N 3.49Å; T96-G99 PolarHBondContact O-N 2.97Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.38Å; G99-L103 VanDerWaalsContact O-CB 3.32Å; G99-L103 WeakPolarHBondContact O-CB 3.33Å; G99-L103 PolarHBondContact O-N 3.31Å
100	A	96.9	Very high	96.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-46.6	174.9	0	0	0	0	0	111	T96 L97 D98 C102 L103 L104 V127	T96-A100 WeakPolarHBondContact O-CB 3.28Å; T96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 2.86Å; D98-A100 PolarHBondContact O-N 2.79Å; A100-C102 PolarHBondContact O-N 2.67Å; A100-L103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 VanDerWaalsContact O-CG 3.24Å; A100-L104 WeakPolarHBondContact O-CG 3.38Å; A100-L104 PolarHBondContact O-N 2.82Å; A100-V127 HydrophobicContact CB-CG1 3.8Å
101	A	95.4	Very high	96.1	Very high	44 Å²	44	52.2 Å²	52.2	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-46.9	176.4	0	0	0	0	0	111.7	L97 D98 L103 N105	L97-A101 WeakPolarHBondContact O-CB 3.2Å; L97-A101 PolarHBondContact O-N 3.42Å; D98-A101 PolarHBondContact O-N 2.74Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.46Å; A101-N105 WeakPolarHBondContact O-CB 3.3Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 VanDerWaalsContact O-N 3.07Å; A101-N105 PolarHBondContact O-ND2 2.83Å
102	C	96.2	Very high	95.8	Very high	94 Å²	94	52 Å²	52	64%	0.635	28%	0.283	S	S	*	.	H	α-helix	trans	-59.1	-44.8	176.7	-72.4	0	0	0	0	112	D98 A100 S106	D98-C102 WeakPolarHBondContact O-CB 3.48Å; D98-C102 PolarHBondContact O-N 3.03Å; D98-C102 PolarHBondContact O-SG 3.11Å; A100-C102 PolarHBondContact O-N 2.67Å; C102-S106 WeakPolarHBondContact O-CB 3.22Å; C102-S106 PolarHBondContact O-N 3.17Å
103	L	96.1	Very high	95.5	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-50.1	-179.1	176.2	60.4	0	0	0	111.7	G99 A100 A101 N105 S106 Y109 F110 K123 V127	G99-L103 VanDerWaalsContact O-CB 3.32Å; G99-L103 WeakPolarHBondContact O-CB 3.33Å; G99-L103 PolarHBondContact O-N 3.31Å; A100-L103 PolarHBondContact O-N 2.96Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.46Å; L103-N105 VanDerWaalsContact C-N 3.29Å; L103-N105 PolarHBondContact O-N 2.88Å; L103-S106 VanDerWaalsContact O-CB 3.28Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.07Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-Y109 HydrophobicContact CD1-CD2 3.53Å; L103-Y109 HydrophobicContact CD1-CE2 4.16Å; L103-Y109 HydrophobicContact CD1-CG 3.84Å; L103-F110 HydrophobicContact CD1-CE2 4.27Å; L103-F110 HydrophobicContact CG-CE2 4.16Å; L103-F110 VanDerWaalsContact O-CD2 3.28Å; L103-F110 WeakPolarHBondContact O-CD2 3.49Å; L103-K123 HydrophobicContact CD1-CD 4.38Å; L103-K123 HydrophobicContact CD2-CB 4.5Å; L103-V127 HydrophobicContact CD2-CG2 3.58Å
104	L	95.6	Very high	95.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-71	-23.7	-173.6	-65.2	169.3	0	0	0	112.7	Y39 L42 R43 A100 F110 L124	Y39-L104 HydrophobicContact CD2-CD2 3.89Å; Y39-L104 HydrophobicContact CE2-CB 4.12Å; Y39-L104 HydrophobicContact CE2-CD2 3.89Å; Y39-L104 VanDerWaalsContact CE2-O 3.32Å; Y39-L104 WeakPolarHBondContact CE2-O 3.36Å; Y39-L104 PolarHBondContact OH-O 3.5Å; L42-L104 HydrophobicContact CD2-CD1 4.35Å; L42-L104 HydrophobicContact CD2-CD2 4.13Å; L42-L104 HydrophobicContact CG-CD1 4.14Å; R43-L104 HydrophobicContact CG-CB 3.99Å; R43-L104 HydrophobicContact CG-CD1 3.88Å; R43-L104 HydrophobicContact CG-CG 4.37Å; A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 VanDerWaalsContact O-CG 3.24Å; A100-L104 WeakPolarHBondContact O-CG 3.38Å; A100-L104 PolarHBondContact O-N 2.82Å; L104-F110 HydrophobicContact CD2-CE2 4.16Å; L104-F110 HydrophobicContact CD2-CZ 4.14Å; L104-L124 HydrophobicContact CD2-CD2 3.93Å
105	N	94.2	Very high	94.9	Very high	90 Å²	90	57 Å²	57	48%	0.481	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	6.3	173.6	-62.7	-72.6	0	0	0	113.2	R43 A101 L103 N107	R43-N105 PolarHBondContact NH2-OD1 3.47Å; A101-N105 WeakPolarHBondContact O-CB 3.3Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 VanDerWaalsContact O-N 3.07Å; A101-N105 PolarHBondContact O-ND2 2.83Å; L103-N105 VanDerWaalsContact C-N 3.29Å; L103-N105 PolarHBondContact O-N 2.88Å; N105-N107 PolarHBondContact O-N 3.49Å
106	S	95.6	Very high	94.7	Very high	31 Å²	31	54.9 Å²	54.9	22%	0.217	31%	0.313	C	S	.	.			trans	-78.9	116	-177.8	-176.3	0	0	0	0	111.7	C102 L103 K108 Y109 F110	C102-S106 WeakPolarHBondContact O-CB 3.22Å; C102-S106 PolarHBondContact O-N 3.17Å; L103-S106 VanDerWaalsContact O-CB 3.28Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.07Å; L103-S106 VanDerWaalsContact O-N 3.14Å; S106-K108 PolarHBondContact O-N 2.69Å; S106-K108 PolarHBondContact OG-N 2.93Å; S106-Y109 PolarHBondContact O-N 2.94Å; S106-F110 CarbonylContact O-C 3.51Å; S106-F110 PolarHBondContact O-N 2.77Å
107	N	93.9	Very high	94.5	Very high	133 Å²	133	60.9 Å²	60.9	71%	0.711	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.1	172.6	-70	-22.5	0	0	0	113.7	N105 P111	N105-N107 PolarHBondContact O-N 3.49Å; N107-P111 WeakPolarHBondContact O-CA 3.16Å; N107-P111 WeakPolarHBondContact O-CB 3.4Å
108	K	94.6	Very high	94.2	Very high	165 Å²	165	67.3 Å²	67.3	72%	0.717	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-40.7	174.3	179.9	179.8	178.6	179.6	0	112	S106	S106-K108 PolarHBondContact O-N 2.69Å; S106-K108 PolarHBondContact OG-N 2.93Å
109	Y	92.9	Very high	94.1	Very high	81 Å²	81	66.5 Å²	66.5	32%	0.318	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-33.6	-174.4	-63.9	-64.3	0	0	0	112.4	L103 S106 S120 K123	L103-Y109 HydrophobicContact CD1-CD2 3.53Å; L103-Y109 HydrophobicContact CD1-CE2 4.16Å; L103-Y109 HydrophobicContact CD1-CG 3.84Å; S106-Y109 PolarHBondContact O-N 2.94Å; Y109-S120 VanDerWaalsContact O-CB 3.29Å; Y109-S120 WeakPolarHBondContact O-CB 3.5Å; Y109-S120 PolarHBondContact O-OG 2.85Å; Y109-K123 HydrophobicContact CD1-CD 3.95Å; Y109-K123 HydrophobicContact CG-CD 4.32Å
110	F	94.4	Very high	94	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.026	36%	0.359	C	S	.	.			trans	-128.6	73.1	178.9	-62.9	-88	0	0	0	108.9	Y39 L103 L104 S106 S112 I116 L124	Y39-F110 AromaticContact CD2-CD1 3.4Å; Y39-F110 HydrophobicContact CD2-CD1 3.4Å; Y39-F110 VanDerWaalsContact CD2-CD1 3.4Å; Y39-F110 AromaticContact CD2-CE1 3.46Å; Y39-F110 HydrophobicContact CD2-CE1 3.46Å; Y39-F110 VanDerWaalsContact CD2-CE1 3.46Å; Y39-F110 HydrophobicContact CD2-CG 4.09Å; Y39-F110 HydrophobicContact CD2-CZ 4.21Å; Y39-F110 HydrophobicContact CE2-CB 4.02Å; Y39-F110 AromaticContact CE2-CD1 3.41Å; Y39-F110 HydrophobicContact CE2-CD1 3.41Å; Y39-F110 VanDerWaalsContact CE2-CD1 3.41Å; Y39-F110 HydrophobicContact CE2-CD2 4.24Å; Y39-F110 AromaticContact CE2-CE1 3.87Å; Y39-F110 HydrophobicContact CE2-CE1 3.87Å; Y39-F110 AromaticContact CE2-CG 3.62Å; Y39-F110 HydrophobicContact CE2-CG 3.62Å; Y39-F110 HydrophobicContact CE2-CZ 4.47Å; Y39-F110 HydrophobicContact CG-CD1 4.23Å; Y39-F110 HydrophobicContact CG-CE1 4.35Å; L103-F110 HydrophobicContact CD1-CE2 4.27Å; L103-F110 HydrophobicContact CG-CE2 4.16Å; L103-F110 VanDerWaalsContact O-CD2 3.28Å; L103-F110 WeakPolarHBondContact O-CD2 3.49Å; L104-F110 HydrophobicContact CD2-CE2 4.16Å; L104-F110 HydrophobicContact CD2-CZ 4.14Å; S106-F110 CarbonylContact O-C 3.51Å; S106-F110 PolarHBondContact O-N 2.77Å; F110-S112 PolarHBondContact O-N 3.39Å; F110-I116 HydrophobicContact CD1-CD1 4.33Å; F110-I116 HydrophobicContact CD1-CG2 4.17Å; F110-I116 HydrophobicContact CE1-CG2 4.08Å; F110-L124 HydrophobicContact CE1-CD2 4.09Å; F110-L124 HydrophobicContact CZ-CD2 3.81Å
111	P	93	Very high	93.8	Very high	71 Å²	71	66 Å²	66	46%	0.461	36%	0.362	S	S	.	.	S	Bend	trans	-69.2	-13.2	-177.4	27.7	-35.6	0	0	0	114	N107	N107-P111 WeakPolarHBondContact O-CA 3.16Å; N107-P111 WeakPolarHBondContact O-CB 3.4Å
112	S	92.5	Very high	93.6	Very high	40 Å²	40	67.7 Å²	67.7	28%	0.28	38%	0.376	S	S	.	.			trans	-141.4	150.8	178.8	175.3	0	0	0	0	109.4	F110 V114 S115 I116	F110-S112 PolarHBondContact O-N 3.39Å; S112-V114 WeakPolarHBondContact OG-CG2 3.5Å; S112-V114 PolarHBondContact OG-N 3.07Å; S112-S115 WeakPolarHBondContact CB-O 3.49Å; S112-S115 PolarHBondContact OG-N 2.65Å; S112-I116 WeakPolarHBondContact O-CD1 3.35Å
113	R	91.3	Very high	93.5	Very high	52 Å²	52	66.4 Å²	66.4	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-99	-13.3	172.4	-66	-172.2	66.1	178.7	1.7	113.5	V36 Y39 E40	V36-R113 WeakPolarHBondContact CG1-O 3.31Å; Y39-R113 HydrophobicContact CE1-CB 4.41Å; Y39-R113 HydrophobicContact CE1-CG 4.06Å; E40-R113 IonicContact OE1-CZ 2.59Å; E40-R113 VanDerWaalsContact OE1-CZ 3.24Å; E40-R113 IonicContact OE1-NE 2.68Å; E40-R113 PolarHBondContact OE1-NE 3.12Å; E40-R113 IonicContact OE1-NH2 3.87Å; E40-R113 PolarHBondContact OE1-NH2 3.31Å; E40-R113 IonicContact OE2-CZ 3.31Å; E40-R113 IonicContact OE2-NH2 3.81Å; E40-R113 PolarHBondContact OE2-NH2 3.33Å
114	V	91.3	Very high	93.5	Very high	82 Å²	82	65.1 Å²	65.1	50%	0.497	35%	0.353	S	S	.	.	S	Bend	trans	-105.1	-8.6	-179	-61.6	0	0	0	0	112.7	T4 V36 S112	T4-V114 HydrophobicContact CG2-CG1 4.03Å; V36-V114 VanDerWaalsContact CG2-C 3.48Å; V36-V114 WeakPolarHBondContact CG2-O 3.44Å; S112-V114 WeakPolarHBondContact OG-CG2 3.5Å; S112-V114 PolarHBondContact OG-N 3.07Å
115	S	91.6	Very high	93.6	Very high	77 Å²	77	65.5 Å²	65.5	54%	0.538	36%	0.357	S	S	.	.	S	Bend	trans	-145.4	111	175.5	178.5	0	0	0	0	108.9	S112	S112-S115 WeakPolarHBondContact CB-O 3.49Å; S112-S115 PolarHBondContact OG-N 2.65Å
116	I	94.6	Very high	93.6	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.082	35%	0.347	C	S	.	.			trans	-103.4	127.8	-178.6	-52	-52	0	0	0	109	V36 Y39 F110 S112 V121	V36-I116 HydrophobicContact CB-CG1 4.25Å; V36-I116 HydrophobicContact CG2-CD1 4.49Å; V36-I116 HydrophobicContact CG2-CG1 3.76Å; Y39-I116 HydrophobicContact CD1-CD1 3.79Å; Y39-I116 HydrophobicContact CD1-CG1 4.34Å; Y39-I116 HydrophobicContact CE1-CD1 4.26Å; Y39-I116 HydrophobicContact CG-CD1 3.98Å; Y39-I116 HydrophobicContact CG-CG1 4.27Å; F110-I116 HydrophobicContact CD1-CD1 4.33Å; F110-I116 HydrophobicContact CD1-CG2 4.17Å; F110-I116 HydrophobicContact CE1-CG2 4.08Å; S112-I116 WeakPolarHBondContact O-CD1 3.35Å; I116-V121 HydrophobicContact CG2-CG2 3.76Å
117	K	93.9	Very high	93.6	Very high	130 Å²	130	61.7 Å²	61.7	57%	0.565	34%	0.337	S	S	*	.			trans	-73.5	146.3	176.3	-62.2	-177.2	179.7	-177.8	0	110.1	S119 S120 V121	K117-S119 PolarHBondContact O-N 2.94Å; K117-S120 WeakPolarHBondContact O-CA 3.35Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 3.16Å; K117-V121 PolarHBondContact O-N 3.36Å; K117-V121 VanDerWaalsContact O-N 3.08Å
118	E	91.6	Very high	93.8	Very high	146 Å²	146	55.3 Å²	55.3	68%	0.682	30%	0.304	S	S	*	.	H	α-helix	trans	-57.1	-38.3	177.5	-170.1	54.7	-142	0	0	112.7	S120 V121 A122	E118-S120 PolarHBondContact O-N 3.03Å; E118-V121 WeakPolarHBondContact O-CB 3.47Å; E118-V121 PolarHBondContact O-N 3.27Å; E118-V121 VanDerWaalsContact O-N 3.1Å; E118-A122 PolarHBondContact O-N 3.27Å
119	S	93.4	Very high	93.9	Very high	83 Å²	83	52.6 Å²	52.6	58%	0.58	29%	0.289	S	S	*	.	H	α-helix	trans	-63	-23	175	59.2	0	0	0	0	113.7	K117	K117-S119 PolarHBondContact O-N 2.94Å
120	S	94.3	Very high	94.1	Very high	5 Å²	5	51.1 Å²	51.1	4%	0.035	28%	0.283	C	S	.	.	H	α-helix	trans	-82.4	-39.8	173.2	-48.7	0	0	0	0	111.2	Y109 K117 E118 A122 K123	Y109-S120 VanDerWaalsContact O-CB 3.29Å; Y109-S120 WeakPolarHBondContact O-CB 3.5Å; Y109-S120 PolarHBondContact O-OG 2.85Å; K117-S120 WeakPolarHBondContact O-CA 3.35Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 3.16Å; E118-S120 PolarHBondContact O-N 3.03Å; S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.21Å; S120-K123 WeakPolarHBondContact O-CB 3.44Å; S120-K123 PolarHBondContact O-N 2.9Å
121	V	93.5	Very high	94.2	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-41.2	174.1	178.8	0	0	0	0	111	K38 I116 K117 E118 K123 L124	K38-V121 HydrophobicContact CD-CG1 4.18Å; I116-V121 HydrophobicContact CG2-CG2 3.76Å; K117-V121 PolarHBondContact O-N 3.36Å; K117-V121 VanDerWaalsContact O-N 3.08Å; E118-V121 WeakPolarHBondContact O-CB 3.47Å; E118-V121 PolarHBondContact O-N 3.27Å; E118-V121 VanDerWaalsContact O-N 3.1Å; V121-K123 PolarHBondContact O-N 3.37Å; V121-L124 HydrophobicContact CG1-CD1 4.24Å; V121-L124 VanDerWaalsContact O-CB 3.32Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 VanDerWaalsContact O-CG 3.31Å; V121-L124 WeakPolarHBondContact O-CG 3.48Å; V121-L124 PolarHBondContact O-N 3.25Å
122	A	92.3	Very high	94.4	Very high	80 Å²	80	47.7 Å²	47.7	66%	0.661	26%	0.26	S	S	*	.	H	α-helix	trans	-56.7	-21.2	176.8	0	0	0	0	0	114.2	E118 S120	E118-A122 PolarHBondContact O-N 3.27Å; S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.21Å
123	K	93.5	Very high	94.7	Very high	67 Å²	67	49 Å²	49	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-81.3	-23.5	177.6	-64.9	169	174.8	-86.6	0	112.9	L103 Y109 S120 V121 G125 S126	L103-K123 HydrophobicContact CD1-CD 4.38Å; L103-K123 HydrophobicContact CD2-CB 4.5Å; Y109-K123 HydrophobicContact CD1-CD 3.95Å; Y109-K123 HydrophobicContact CG-CD 4.32Å; S120-K123 WeakPolarHBondContact O-CB 3.44Å; S120-K123 PolarHBondContact O-N 2.9Å; V121-K123 PolarHBondContact O-N 3.37Å; K123-G125 PolarHBondContact O-N 3.37Å; K123-S126 PolarHBondContact O-N 3.22Å; K123-S126 PolarHBondContact O-OG 3.03Å
124	L	96.5	Very high	95	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-41	-172.4	-58.6	-179.9	0	0	0	112	K38 L42 L104 F110 V121 S126 V127 C128 L168	K38-L124 HydrophobicContact CB-CD1 3.69Å; L42-L124 HydrophobicContact CD2-CB 4.01Å; L42-L124 HydrophobicContact CD2-CD2 3.6Å; L42-L124 HydrophobicContact CD2-CG 4.35Å; L104-L124 HydrophobicContact CD2-CD2 3.93Å; F110-L124 HydrophobicContact CE1-CD2 4.09Å; F110-L124 HydrophobicContact CZ-CD2 3.81Å; V121-L124 HydrophobicContact CG1-CD1 4.24Å; V121-L124 VanDerWaalsContact O-CB 3.32Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 VanDerWaalsContact O-CG 3.31Å; V121-L124 WeakPolarHBondContact O-CG 3.48Å; V121-L124 PolarHBondContact O-N 3.25Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 3.26Å; L124-V127 WeakPolarHBondContact O-CB 3.43Å; L124-V127 PolarHBondContact O-N 2.76Å; L124-C128 PolarHBondContact O-N 2.72Å; L124-C128 PolarHBondContact O-SG 3.01Å; L124-L168 HydrophobicContact CB-CD2 4.47Å
125	G	95.8	Very high	95.3	Very high	9 Å²	9	42.7 Å²	42.7	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-35.6	179.4	0	0	0	0	0	113.4	K123 V127 C128 R129	K123-G125 PolarHBondContact O-N 3.37Å; G125-V127 VanDerWaalsContact C-N 3.31Å; G125-V127 PolarHBondContact O-N 3.43Å; G125-C128 PolarHBondContact O-N 2.94Å; G125-R129 WeakPolarHBondContact O-CG 3.32Å; G125-R129 PolarHBondContact O-N 3.1Å; G125-R129 PolarHBondContact O-NH1 3.18Å
126	S	94.4	Very high	95.6	Very high	40 Å²	40	39 Å²	39	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-67.9	-30.4	176.6	77.1	0	0	0	0	113.3	K123 L124 R130	K123-S126 PolarHBondContact O-N 3.22Å; K123-S126 PolarHBondContact O-OG 3.03Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 3.26Å; S126-R130 WeakPolarHBondContact O-CG 3.33Å; S126-R130 PolarHBondContact O-NE 3.38Å
127	V	96.8	Very high	95.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-76.4	-44.6	175.2	177.9	0	0	0	0	109.1	L42 A100 L103 L124 G125 R129 R130 I131	L42-V127 HydrophobicContact CD1-CG1 4.26Å; L42-V127 HydrophobicContact CD2-CB 3.91Å; L42-V127 HydrophobicContact CD2-CG1 3.85Å; L42-V127 HydrophobicContact CG-CG1 4.27Å; A100-V127 HydrophobicContact CB-CG1 3.8Å; L103-V127 HydrophobicContact CD2-CG2 3.58Å; L124-V127 WeakPolarHBondContact O-CB 3.43Å; L124-V127 PolarHBondContact O-N 2.76Å; G125-V127 VanDerWaalsContact C-N 3.31Å; G125-V127 PolarHBondContact O-N 3.43Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 2.56Å; V127-R130 PolarHBondContact O-N 2.9Å; V127-I131 HydrophobicContact CG1-CD1 3.71Å; V127-I131 HydrophobicContact CG1-CG1 4.34Å; V127-I131 PolarHBondContact O-N 3.2Å
128	C	98	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-48.2	177.7	-64.3	0	0	0	0	111.7	L124 G125 R130 I131 Y132 F159 V163 M169	L124-C128 PolarHBondContact O-N 2.72Å; L124-C128 PolarHBondContact O-SG 3.01Å; G125-C128 PolarHBondContact O-N 2.94Å; C128-R130 VanDerWaalsContact C-N 3.27Å; C128-R130 PolarHBondContact O-N 2.98Å; C128-I131 PolarHBondContact O-N 3.06Å; C128-Y132 WeakPolarHBondContact O-CB 3.42Å; C128-Y132 PolarHBondContact O-N 3.38Å; C128-F159 HydrophobicContact CB-CZ 3.85Å; C128-F159 WeakPolarHBondContact O-CZ 3.47Å; C128-V163 HydrophobicContact CB-CG1 3.97Å; C128-M169 VanDerWaalsContact C-SD 3.58Å; C128-M169 HydrophobicContact CB-CG 4.15Å; C128-M169 HydrophobicContact CB-SD 3.96Å
129	R	96.5	Very high	96.2	Very high	107 Å²	107	26.3 Å²	26.3	40%	0.404	14%	0.142	S	C	.	.	H	α-helix	trans	-58.6	-36.8	176.9	-72.4	-169.9	-63.5	-85.5	8.1	113.4	G125 V127 R133 M169	G125-R129 WeakPolarHBondContact O-CG 3.32Å; G125-R129 PolarHBondContact O-N 3.1Å; G125-R129 PolarHBondContact O-NH1 3.18Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 2.56Å; R129-R133 WeakPolarHBondContact O-CG 3.36Å; R129-R133 PolarHBondContact O-N 3.01Å; R129-M169 HydrophobicContact CB-SD 4.48Å; R129-M169 HydrophobicContact CG-CE 4.03Å; R129-M169 HydrophobicContact CG-CG 3.79Å; R129-M169 HydrophobicContact CG-SD 4Å
130	R	96.6	Very high	96.4	Very high	51 Å²	51	26.4 Å²	26.4	19%	0.192	13%	0.133	C	C	.	.	H	α-helix	trans	-75.4	-40.1	179.8	-71.9	179.9	-74.9	164	-2.8	111.9	T96 S126 V127 C128 Y132 R133	T96-R130 HydrophobicContact CG2-CB 3.69Å; S126-R130 WeakPolarHBondContact O-CG 3.33Å; S126-R130 PolarHBondContact O-NE 3.38Å; V127-R130 PolarHBondContact O-N 2.9Å; C128-R130 VanDerWaalsContact C-N 3.27Å; C128-R130 PolarHBondContact O-N 2.98Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; R130-R133 WeakPolarHBondContact O-CB 3.32Å; R130-R133 PolarHBondContact O-N 3.09Å
131	I	97.3	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-46.2	172.2	-75.8	170.3	0	0	0	110.6	L42 C46 L49 V127 C128 R133 I134 F135 F159	L42-I131 HydrophobicContact CD1-CD1 3.73Å; C46-I131 WeakPolarHBondContact SG-CD1 3.32Å; L49-I131 HydrophobicContact CD2-CB 4.27Å; L49-I131 HydrophobicContact CD2-CG1 4.19Å; L49-I131 HydrophobicContact CD2-CG2 3.62Å; V127-I131 HydrophobicContact CG1-CD1 3.71Å; V127-I131 HydrophobicContact CG1-CG1 4.34Å; V127-I131 PolarHBondContact O-N 3.2Å; C128-I131 PolarHBondContact O-N 3.06Å; I131-R133 PolarHBondContact O-N 3.25Å; I131-I134 WeakPolarHBondContact O-CA 3.36Å; I131-I134 VanDerWaalsContact O-CB 3.29Å; I131-I134 WeakPolarHBondContact O-CB 3.35Å; I131-I134 PolarHBondContact O-N 2.73Å; I131-F135 HydrophobicContact CG2-CD2 4.2Å; I131-F135 HydrophobicContact CG2-CE2 3.72Å; I131-F135 PolarHBondContact O-N 3.23Å; I131-F159 HydrophobicContact CB-CE2 4.22Å; I131-F159 HydrophobicContact CB-CZ 4.13Å; I131-F159 HydrophobicContact CG2-CD2 4.11Å; I131-F159 HydrophobicContact CG2-CE1 4.4Å; I131-F159 HydrophobicContact CG2-CE2 3.52Å; I131-F159 HydrophobicContact CG2-CZ 3.69Å
132	Y	97.8	Very high	96.7	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-33.6	-178.1	-168.7	-101.8	0	0	0	113.1	C128 R130 I134 F135 S136 F159 M169 N173 L174 I175 V176	C128-Y132 WeakPolarHBondContact O-CB 3.42Å; C128-Y132 PolarHBondContact O-N 3.38Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-I134 PolarHBondContact O-N 3.24Å; Y132-F135 HydrophobicContact CD2-CD2 4.41Å; Y132-F135 WeakPolarHBondContact O-CB 3.45Å; Y132-F135 PolarHBondContact O-N 3.48Å; Y132-F135 VanDerWaalsContact O-N 3.13Å; Y132-S136 WeakPolarHBondContact CE1-OG 3.45Å; Y132-S136 PolarHBondContact O-N 3.08Å; Y132-S136 PolarHBondContact O-OG 3.38Å; Y132-S136 VanDerWaalsContact O-OG 3.07Å; Y132-F159 HydrophobicContact CD2-CD1 4.01Å; Y132-F159 AromaticContact CD2-CE1 3.88Å; Y132-F159 HydrophobicContact CD2-CE1 3.88Å; Y132-F159 HydrophobicContact CG-CE1 4.41Å; Y132-M169 HydrophobicContact CD1-CE 3.85Å; Y132-M169 HydrophobicContact CG-CE 3.77Å; Y132-M169 HydrophobicContact CG-SD 4.36Å; Y132-N173 WeakPolarHBondContact CE1-O 3.31Å; Y132-L174 HydrophobicContact CD1-CD2 4.23Å; Y132-L174 HydrophobicContact CD2-CD2 3.88Å; Y132-L174 HydrophobicContact CE1-CB 4.47Å; Y132-L174 HydrophobicContact CE1-CD2 3.91Å; Y132-L174 HydrophobicContact CE2-CD2 3.52Å; Y132-L174 HydrophobicContact CG-CD2 4.2Å; Y132-L174 VanDerWaalsContact OH-CA 3.28Å; Y132-L174 WeakPolarHBondContact OH-CA 3.4Å; Y132-I175 HydrophobicContact CE1-CG1 4.31Å; Y132-I175 PolarHBondContact OH-N 3.29Å; Y132-I175 VanDerWaalsContact OH-N 3.16Å; Y132-V176 HydrophobicContact CE1-CG2 4.41Å; Y132-V176 WeakPolarHBondContact OH-CB 3.31Å; Y132-V176 WeakPolarHBondContact OH-CG2 3.4Å; Y132-V176 PolarHBondContact OH-N 3.11Å
133	R	97.4	Very high	96.9	Very high	67 Å²	67	31 Å²	31	25%	0.253	14%	0.135	S	C	.	.	H	α-helix	trans	-60	-33.3	174.4	-66.4	164.2	178.6	-170.1	-5.1	112.5	M68 F76 Y92 R129 R130 I131 S136 H137	M68-R133 HydrophobicContact CE-CB 3.84Å; M68-R133 WeakPolarHBondContact CE-O 3.38Å; F76-R133 HydrophobicContact CD1-CG 3.92Å; F76-R133 HydrophobicContact CD2-CB 3.8Å; F76-R133 HydrophobicContact CD2-CG 3.67Å; F76-R133 HydrophobicContact CE1-CG 3.97Å; F76-R133 HydrophobicContact CE2-CB 3.96Å; F76-R133 HydrophobicContact CE2-CG 3.72Å; F76-R133 HydrophobicContact CG-CB 4.27Å; F76-R133 HydrophobicContact CG-CG 3.77Å; F76-R133 HydrophobicContact CZ-CG 3.88Å; Y92-R133 HydrophobicContact CE1-CB 4.42Å; Y92-R133 WeakPolarHBondContact OH-CD 3.29Å; Y92-R133 PolarHBondContact OH-NH1 3.05Å; R129-R133 WeakPolarHBondContact O-CG 3.36Å; R129-R133 PolarHBondContact O-N 3.01Å; R130-R133 WeakPolarHBondContact O-CB 3.32Å; R130-R133 PolarHBondContact O-N 3.09Å; I131-R133 PolarHBondContact O-N 3.25Å; R133-S136 PolarHBondContact O-N 2.77Å; R133-H137 WeakPolarHBondContact O-CB 3.47Å; R133-H137 PolarHBondContact O-N 3.03Å
134	I	98	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-46.2	175.6	-57.9	165.8	0	0	0	109.8	L49 M68 T93 T96 L97 I131 Y132 S136 H137 A138	L49-I134 HydrophobicContact CD1-CG2 4.14Å; L49-I134 HydrophobicContact CD2-CB 4.38Å; L49-I134 HydrophobicContact CD2-CD1 3.82Å; L49-I134 HydrophobicContact CD2-CG2 4.48Å; L49-I134 HydrophobicContact CG-CG2 4.5Å; M68-I134 HydrophobicContact CE-CG1 4.19Å; T93-I134 HydrophobicContact CG2-CD1 4.07Å; T93-I134 HydrophobicContact CG2-CG1 4.29Å; T93-I134 HydrophobicContact CG2-CG2 3.89Å; T96-I134 HydrophobicContact CG2-CD1 3.78Å; L97-I134 HydrophobicContact CG-CD1 4.32Å; I131-I134 WeakPolarHBondContact O-CA 3.36Å; I131-I134 VanDerWaalsContact O-CB 3.29Å; I131-I134 WeakPolarHBondContact O-CB 3.35Å; I131-I134 PolarHBondContact O-N 2.73Å; Y132-I134 PolarHBondContact O-N 3.24Å; I134-S136 PolarHBondContact O-N 3.33Å; I134-H137 PolarHBondContact O-N 3.46Å; I134-A138 WeakPolarHBondContact O-CB 3.42Å; I134-A138 PolarHBondContact O-N 3.41Å
135	F	98.1	Very high	97.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-47.3	173.6	-68.9	-58.3	0	0	0	112	L49 L52 I131 Y132 H137 A138 Y139 F146 L155 C156 F159	L49-F135 HydrophobicContact CD1-CD1 4.15Å; L49-F135 HydrophobicContact CD1-CE1 3.58Å; L49-F135 HydrophobicContact CD1-CE2 4.4Å; L49-F135 HydrophobicContact CD1-CZ 3.71Å; L52-F135 HydrophobicContact CD2-CD1 4.06Å; L52-F135 HydrophobicContact CD2-CE1 4.25Å; I131-F135 HydrophobicContact CG2-CD2 4.2Å; I131-F135 HydrophobicContact CG2-CE2 3.72Å; I131-F135 PolarHBondContact O-N 3.23Å; Y132-F135 HydrophobicContact CD2-CD2 4.41Å; Y132-F135 WeakPolarHBondContact O-CB 3.45Å; Y132-F135 PolarHBondContact O-N 3.48Å; Y132-F135 VanDerWaalsContact O-N 3.13Å; F135-H137 PolarHBondContact O-N 3Å; F135-A138 PolarHBondContact O-N 3.39Å; F135-Y139 WeakPolarHBondContact O-CB 3.39Å; F135-Y139 PolarHBondContact O-N 3.36Å; F135-F146 HydrophobicContact CB-CE2 4.46Å; F135-F146 HydrophobicContact CD1-CE2 4.28Å; F135-L155 HydrophobicContact CE1-CB 4.48Å; F135-L155 HydrophobicContact CE1-CD2 3.86Å; F135-L155 HydrophobicContact CE1-CG 4.03Å; F135-L155 HydrophobicContact CZ-CD2 3.76Å; F135-L155 HydrophobicContact CZ-CG 3.75Å; F135-C156 HydrophobicContact CB-CB 4.48Å; F135-C156 WeakPolarHBondContact CB-SG 3.33Å; F135-C156 HydrophobicContact CD1-CB 3.59Å; F135-C156 HydrophobicContact CD2-CB 4.45Å; F135-C156 HydrophobicContact CE1-CB 3.81Å; F135-C156 HydrophobicContact CG-CB 3.95Å; F135-C156 WeakPolarHBondContact CG-SG 3.48Å; F135-C156 HydrophobicContact CZ-CB 4.37Å; F135-F159 HydrophobicContact CD2-CD1 4.26Å; F135-F159 HydrophobicContact CD2-CG 4.43Å; F135-F159 HydrophobicContact CE2-CB 3.95Å; F135-F159 HydrophobicContact CE2-CD1 4.01Å; F135-F159 HydrophobicContact CE2-CD2 4.11Å; F135-F159 AromaticContact CE2-CG 3.75Å; F135-F159 HydrophobicContact CE2-CG 3.75Å; F135-F159 HydrophobicContact CZ-CB 4.42Å
136	S	97.4	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.8	179.1	-48.5	0	0	0	0	111.9	A70 Y132 R133 I134 Y139 F140	A70-S136 VanDerWaalsContact CB-CB 3.47Å; Y132-S136 WeakPolarHBondContact CE1-OG 3.45Å; Y132-S136 PolarHBondContact O-N 3.08Å; Y132-S136 PolarHBondContact O-OG 3.38Å; Y132-S136 VanDerWaalsContact O-OG 3.07Å; R133-S136 PolarHBondContact O-N 2.77Å; I134-S136 PolarHBondContact O-N 3.33Å; S136-Y139 PolarHBondContact O-N 2.87Å; S136-F140 WeakPolarHBondContact O-CD2 3.05Å; S136-F140 PolarHBondContact O-N 3.36Å
137	H	97.9	Very high	97.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-48.5	176.5	179.1	74.4	0	0	0	111.6	M68 T69 A89 R133 I134 F135 Y139 F140 H141 H142	M68-H137 HydrophobicContact CE-CB 3.65Å; M68-H137 HydrophobicContact SD-CB 4.12Å; T69-H137 WeakPolarHBondContact O-CB 3.48Å; T69-H137 PolarHBondContact O-ND1 3.25Å; A89-H137 WeakPolarHBondContact CB-CE1 3.29Å; A89-H137 WeakPolarHBondContact CB-NE2 3.44Å; R133-H137 WeakPolarHBondContact O-CB 3.47Å; R133-H137 PolarHBondContact O-N 3.03Å; I134-H137 PolarHBondContact O-N 3.46Å; F135-H137 PolarHBondContact O-N 3Å; H137-Y139 VanDerWaalsContact C-N 3.33Å; H137-Y139 PolarHBondContact O-N 2.89Å; H137-F140 PolarHBondContact O-N 2.96Å; H137-H141 AromaticContact CE1-CD2 3.64Å; H137-H141 AromaticContact CE1-CG 3.94Å; H137-H141 AromaticContact ND1-CD2 3.3Å; H137-H141 PolarHBondContact ND1-CD2 3.03Å; H137-H141 VanDerWaalsContact ND1-CD2 3.3Å; H137-H141 WeakPolarHBondContact O-CB 3.29Å; H137-H141 PolarHBondContact O-N 2.98Å; H137-H142 AromaticContact CD2-CD2 3.96Å; H137-H142 AromaticContact NE2-CD2 3.53Å; H137-H142 AromaticContact NE2-NE2 3.54Å
138	A	98	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-45.2	177.3	0	0	0	0	0	111.5	L52 L56 I134 F135 H142 R143 F146	L52-A138 HydrophobicContact CD2-CB 4.04Å; L56-A138 HydrophobicContact CD1-CB 4.34Å; L56-A138 HydrophobicContact CD2-CB 4.32Å; I134-A138 WeakPolarHBondContact O-CB 3.42Å; I134-A138 PolarHBondContact O-N 3.41Å; F135-A138 PolarHBondContact O-N 3.39Å; A138-H142 CarbonylContact O-C 3.55Å; A138-H142 WeakPolarHBondContact O-CA 3.21Å; A138-H142 PolarHBondContact O-N 3.43Å; A138-H142 VanDerWaalsContact O-O 3.06Å; A138-R143 PolarHBondContact O-N 3.37Å; A138-F146 HydrophobicContact CB-CB 4.2Å; A138-F146 HydrophobicContact CB-CD2 4Å
139	Y	97.8	Very high	97.5	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.094	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-48.3	179.6	-179.9	-90.3	0	0	0	113.2	F135 S136 H137 R143 F146 V176 P177	F135-Y139 WeakPolarHBondContact O-CB 3.39Å; F135-Y139 PolarHBondContact O-N 3.36Å; S136-Y139 PolarHBondContact O-N 2.87Å; H137-Y139 VanDerWaalsContact C-N 3.33Å; H137-Y139 PolarHBondContact O-N 2.89Å; Y139-R143 VanDerWaalsContact O-CD 3.3Å; Y139-R143 WeakPolarHBondContact O-CD 3.33Å; Y139-R143 PolarHBondContact OH-NH1 3.49Å; Y139-F146 AromaticContact CD2-CD1 3.69Å; Y139-F146 HydrophobicContact CD2-CD1 3.69Å; Y139-F146 AromaticContact CD2-CE1 3.54Å; Y139-F146 HydrophobicContact CD2-CE1 3.54Å; Y139-F146 HydrophobicContact CD2-CG 4.3Å; Y139-F146 AromaticContact CD2-CZ 3.98Å; Y139-F146 HydrophobicContact CD2-CZ 3.98Å; Y139-F146 HydrophobicContact CE2-CE1 4.27Å; Y139-F146 HydrophobicContact CG-CD1 4.48Å; Y139-V176 HydrophobicContact CD1-CG1 4.17Å; Y139-V176 HydrophobicContact CD2-CG1 3.4Å; Y139-V176 VanDerWaalsContact CD2-CG1 3.4Å; Y139-V176 HydrophobicContact CE1-CG1 4.42Å; Y139-V176 HydrophobicContact CE2-CG1 3.64Å; Y139-V176 HydrophobicContact CG-CG1 3.66Å; Y139-V176 HydrophobicContact CG-CG2 4.42Å; Y139-P177 VanDerWaalsContact CZ-CD 3.49Å; Y139-P177 WeakPolarHBondContact OH-CD 3.38Å; Y139-P177 WeakPolarHBondContact OH-CG 3.36Å
140	F	96.4	Very high	97.5	Very high	85 Å²	85	35.4 Å²	35.4	37%	0.373	16%	0.155	S	C	.	.	H	α-helix	trans	-85.7	-25.7	-172.8	-72.7	-70.8	0	0	0	114.3	A70 S136 H137 I175	A70-F140 HydrophobicContact CB-CD2 3.98Å; A70-F140 WeakPolarHBondContact O-CB 3.3Å; A70-F140 VanDerWaalsContact O-CD2 3.3Å; A70-F140 WeakPolarHBondContact O-CD2 3.15Å; A70-F140 WeakPolarHBondContact O-CG 3.2Å; S136-F140 WeakPolarHBondContact O-CD2 3.05Å; S136-F140 PolarHBondContact O-N 3.36Å; H137-F140 PolarHBondContact O-N 2.96Å; F140-I175 HydrophobicContact CD2-CD1 4.43Å; F140-I175 HydrophobicContact CE2-CD1 3.81Å; F140-I175 HydrophobicContact CE2-CG1 4.02Å
141	H	96.6	Very high	97.5	Very high	85 Å²	85	38.7 Å²	38.7	39%	0.394	18%	0.176	S	C	.	.	H	α-helix	trans	-113.4	-22.9	-176.1	-62	-71.5	0	0	0	114	T69 H137	T69-H141 PolarHBondContact O-CD2 3.45Å; T69-H141 PolarHBondContact O-NE2 3.32Å; T69-H141 PolarHBondContact OG1-NE2 2.94Å; H137-H141 AromaticContact CE1-CD2 3.64Å; H137-H141 AromaticContact CE1-CG 3.94Å; H137-H141 AromaticContact ND1-CD2 3.3Å; H137-H141 PolarHBondContact ND1-CD2 3.03Å; H137-H141 VanDerWaalsContact ND1-CD2 3.3Å; H137-H141 WeakPolarHBondContact O-CB 3.29Å; H137-H141 PolarHBondContact O-N 2.98Å
142	H	97.2	Very high	97.5	Very high	16 Å²	16	44.2 Å²	44.2	7%	0.074	20%	0.202	C	C	.	.	S	Bend	trans	-132.2	51	-177.5	-62.4	-77.7	0	0	0	111.1	L56 C60 C65 H137 A138 Q144 I145 F146	L56-H142 HydrophobicContact CD2-CB 3.69Å; C60-H142 WeakPolarHBondContact CB-NE2 3.5Å; C65-H142 PolarHBondContact SG-NE2 3.45Å; H137-H142 AromaticContact CD2-CD2 3.96Å; H137-H142 AromaticContact NE2-CD2 3.53Å; H137-H142 AromaticContact NE2-NE2 3.54Å; A138-H142 CarbonylContact O-C 3.55Å; A138-H142 WeakPolarHBondContact O-CA 3.21Å; A138-H142 PolarHBondContact O-N 3.43Å; A138-H142 VanDerWaalsContact O-O 3.06Å; H142-Q144 VanDerWaalsContact C-N 3.31Å; H142-Q144 PolarHBondContact O-N 3.44Å; H142-I145 HydrophobicContact CB-CB 4.36Å; H142-I145 HydrophobicContact CB-CD1 4.49Å; H142-I145 PolarHBondContact O-N 2.9Å; H142-I145 VanDerWaalsContact O-N 3.09Å; H142-F146 PolarHBondContact O-N 3.13Å
143	R	96.8	Very high	97.5	Very high	91 Å²	91	45.1 Å²	45.1	34%	0.343	21%	0.208	S	C	.	.	H	α-helix	trans	-54.3	-43.5	-166.3	-177.1	61.5	-167.5	-132.1	19.9	113.6	A138 Y139 F146 D147	A138-R143 PolarHBondContact O-N 3.37Å; Y139-R143 VanDerWaalsContact O-CD 3.3Å; Y139-R143 WeakPolarHBondContact O-CD 3.33Å; Y139-R143 PolarHBondContact OH-NH1 3.49Å; R143-F146 WeakPolarHBondContact O-CB 3.08Å; R143-F146 PolarHBondContact O-N 2.87Å; R143-D147 WeakPolarHBondContact CG-OD2 3.33Å; R143-D147 IonicContact CZ-OD1 2.77Å; R143-D147 VanDerWaalsContact CZ-OD1 3.27Å; R143-D147 IonicContact CZ-OD2 3.24Å; R143-D147 IonicContact NE-OD1 3.1Å; R143-D147 PolarHBondContact NE-OD1 3.49Å; R143-D147 IonicContact NE-OD2 2.93Å; R143-D147 PolarHBondContact NE-OD2 2.88Å; R143-D147 IonicContact NH2-OD1 3.95Å; R143-D147 PolarHBondContact NH2-OD1 3.29Å; R143-D147 IonicContact NH2-OD2 2.69Å; R143-D147 PolarHBondContact O-N 2.92Å
144	Q	97.6	Very high	97.5	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	21%	0.209	S	C	*	.	H	α-helix	trans	-60.8	-49	179	-177.5	-178.8	-15.5	0	0	112	H142 F146 D147 E148	H142-Q144 VanDerWaalsContact C-N 3.31Å; H142-Q144 PolarHBondContact O-N 3.44Å; Q144-F146 VanDerWaalsContact C-N 3.27Å; Q144-F146 PolarHBondContact O-N 3.44Å; Q144-D147 PolarHBondContact O-N 3.07Å; Q144-E148 HydrophobicContact CG-CG 4.49Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.32Å; Q144-E148 PolarHBondContact NE2-OE1 3.07Å; Q144-E148 WeakPolarHBondContact O-CB 3.24Å; Q144-E148 WeakPolarHBondContact O-CG 3.39Å; Q144-E148 PolarHBondContact O-N 2.78Å
145	I	98.1	Very high	97.6	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-42.1	176.9	-68.6	176	0	0	0	110.6	L52 K55 L56 E59 H142 Y149	L52-I145 HydrophobicContact CD1-CG2 3.8Å; K55-I145 HydrophobicContact CB-CG2 3.68Å; L56-I145 HydrophobicContact CD2-CD1 4.38Å; L56-I145 HydrophobicContact CD2-CG2 4.13Å; L56-I145 HydrophobicContact CG-CG2 4.37Å; E59-I145 HydrophobicContact CB-CD1 3.98Å; E59-I145 HydrophobicContact CG-CD1 3.96Å; E59-I145 WeakPolarHBondContact OE2-CD1 3.44Å; H142-I145 HydrophobicContact CB-CB 4.36Å; H142-I145 HydrophobicContact CB-CD1 4.49Å; H142-I145 PolarHBondContact O-N 2.9Å; H142-I145 VanDerWaalsContact O-N 3.09Å; I145-Y149 VanDerWaalsContact O-CB 3.29Å; I145-Y149 WeakPolarHBondContact O-CB 3.45Å; I145-Y149 PolarHBondContact O-N 3.44Å; I145-Y149 VanDerWaalsContact O-N 3.11Å
146	F	98.1	Very high	97.6	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-53	177.4	177.2	-85.6	0	0	0	111.4	F135 A138 Y139 H142 R143 Q144 E148 Y149 E150 C156 V176 I178	F135-F146 HydrophobicContact CB-CE2 4.46Å; F135-F146 HydrophobicContact CD1-CE2 4.28Å; A138-F146 HydrophobicContact CB-CB 4.2Å; A138-F146 HydrophobicContact CB-CD2 4Å; Y139-F146 AromaticContact CD2-CD1 3.69Å; Y139-F146 HydrophobicContact CD2-CD1 3.69Å; Y139-F146 AromaticContact CD2-CE1 3.54Å; Y139-F146 HydrophobicContact CD2-CE1 3.54Å; Y139-F146 HydrophobicContact CD2-CG 4.3Å; Y139-F146 AromaticContact CD2-CZ 3.98Å; Y139-F146 HydrophobicContact CD2-CZ 3.98Å; Y139-F146 HydrophobicContact CE2-CE1 4.27Å; Y139-F146 HydrophobicContact CG-CD1 4.48Å; H142-F146 PolarHBondContact O-N 3.13Å; R143-F146 WeakPolarHBondContact O-CB 3.08Å; R143-F146 PolarHBondContact O-N 2.87Å; Q144-F146 VanDerWaalsContact C-N 3.27Å; Q144-F146 PolarHBondContact O-N 3.44Å; F146-E148 PolarHBondContact O-N 3.39Å; F146-Y149 PolarHBondContact O-N 3.39Å; F146-E150 HydrophobicContact CD1-CB 4.4Å; F146-E150 HydrophobicContact CE1-CB 3.96Å; F146-E150 HydrophobicContact CE1-CG 4.16Å; F146-E150 HydrophobicContact CZ-CB 4.23Å; F146-E150 HydrophobicContact CZ-CG 4.26Å; F146-E150 VanDerWaalsContact O-CB 3.28Å; F146-E150 WeakPolarHBondContact O-CB 3.47Å; F146-E150 PolarHBondContact O-N 3.28Å; F146-C156 HydrophobicContact CE2-CB 3.86Å; F146-C156 HydrophobicContact CZ-CB 3.81Å; F146-V176 HydrophobicContact CZ-CG1 4.35Å; F146-I178 HydrophobicContact CZ-CD1 3.99Å
147	D	97.4	Very high	97.6	Very high	50 Å²	50	45.8 Å²	45.8	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-44.5	-176.6	-71.2	-25.6	0	0	0	111.4	R143 Q144 Y149 E150 N151	R143-D147 WeakPolarHBondContact CG-OD2 3.33Å; R143-D147 IonicContact CZ-OD1 2.77Å; R143-D147 VanDerWaalsContact CZ-OD1 3.27Å; R143-D147 IonicContact CZ-OD2 3.24Å; R143-D147 IonicContact NE-OD1 3.1Å; R143-D147 PolarHBondContact NE-OD1 3.49Å; R143-D147 IonicContact NE-OD2 2.93Å; R143-D147 PolarHBondContact NE-OD2 2.88Å; R143-D147 IonicContact NH2-OD1 3.95Å; R143-D147 PolarHBondContact NH2-OD1 3.29Å; R143-D147 IonicContact NH2-OD2 2.69Å; R143-D147 PolarHBondContact O-N 2.92Å; Q144-D147 PolarHBondContact O-N 3.07Å; D147-Y149 VanDerWaalsContact C-N 3.33Å; D147-Y149 PolarHBondContact O-N 2.91Å; D147-E150 PolarHBondContact O-N 3.19Å; D147-N151 VanDerWaalsContact O-CB 3.23Å; D147-N151 WeakPolarHBondContact O-CB 3.32Å; D147-N151 PolarHBondContact O-N 3.14Å; D147-N151 PolarHBondContact O-ND2 3.27Å
148	E	97.8	Very high	97.6	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-47	175.7	-74.4	176.1	-166	0	0	111.4	Q144 F146 E152	Q144-E148 HydrophobicContact CG-CG 4.49Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.32Å; Q144-E148 PolarHBondContact NE2-OE1 3.07Å; Q144-E148 WeakPolarHBondContact O-CB 3.24Å; Q144-E148 WeakPolarHBondContact O-CG 3.39Å; Q144-E148 PolarHBondContact O-N 2.78Å; F146-E148 PolarHBondContact O-N 3.39Å; E148-E152 VanDerWaalsContact O-CG 3.26Å; E148-E152 WeakPolarHBondContact O-CG 3.35Å; E148-E152 PolarHBondContact O-N 3.39Å
149	Y	98.1	Very high	97.6	Very high	22 Å²	22	45.7 Å²	45.7	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-70.8	-38.8	-179.1	-167	-98.8	0	0	0	112.7	E48 L52 K55 I145 F146 D147 E152 T153 L155	E48-Y149 PolarHBondContact O-OH 3.04Å; L52-Y149 HydrophobicContact CB-CD1 3.83Å; L52-Y149 HydrophobicContact CB-CE1 3.85Å; L52-Y149 HydrophobicContact CB-CG 4.21Å; L52-Y149 HydrophobicContact CD1-CD1 4.07Å; L52-Y149 HydrophobicContact CD1-CG 3.98Å; L52-Y149 HydrophobicContact CG-CD1 4.36Å; K55-Y149 HydrophobicContact CD-CD2 3.94Å; I145-Y149 VanDerWaalsContact O-CB 3.29Å; I145-Y149 WeakPolarHBondContact O-CB 3.45Å; I145-Y149 PolarHBondContact O-N 3.44Å; I145-Y149 VanDerWaalsContact O-N 3.11Å; F146-Y149 PolarHBondContact O-N 3.39Å; D147-Y149 VanDerWaalsContact C-N 3.33Å; D147-Y149 PolarHBondContact O-N 2.91Å; Y149-E152 PolarHBondContact O-N 3.02Å; Y149-T153 HydrophobicContact CD1-CG2 4.49Å; Y149-T153 HydrophobicContact CD2-CG2 4.45Å; Y149-T153 HydrophobicContact CE1-CG2 4.08Å; Y149-T153 HydrophobicContact CE2-CG2 4.04Å; Y149-T153 WeakPolarHBondContact O-CB 3.32Å; Y149-T153 WeakPolarHBondContact O-CG2 3.48Å; Y149-T153 PolarHBondContact O-N 3Å; Y149-T153 VanDerWaalsContact O-N 3.09Å; Y149-T153 PolarHBondContact O-OG1 2.89Å; Y149-L155 HydrophobicContact CE1-CB 4.23Å; Y149-L155 HydrophobicContact CE1-CD2 3.73Å
150	E	97.9	Very high	97.6	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-42.2	178.9	-174.3	60.9	-165.4	0	0	111.4	F146 D147 E152 T153 F154 L155 C156 H157	F146-E150 HydrophobicContact CD1-CB 4.4Å; F146-E150 HydrophobicContact CE1-CB 3.96Å; F146-E150 HydrophobicContact CE1-CG 4.16Å; F146-E150 HydrophobicContact CZ-CB 4.23Å; F146-E150 HydrophobicContact CZ-CG 4.26Å; F146-E150 VanDerWaalsContact O-CB 3.28Å; F146-E150 WeakPolarHBondContact O-CB 3.47Å; F146-E150 PolarHBondContact O-N 3.28Å; D147-E150 PolarHBondContact O-N 3.19Å; E150-E152 PolarHBondContact O-N 3.39Å; E150-T153 PolarHBondContact O-N 3.47Å; E150-F154 WeakPolarHBondContact O-CA 3.28Å; E150-F154 PolarHBondContact O-N 3.22Å; E150-F154 WeakPolarHBondContact OE1-CA 3.43Å; E150-L155 PolarHBondContact OE1-N 3.23Å; E150-L155 PolarHBondContact OE2-N 3.15Å; E150-L155 VanDerWaalsContact OE2-N 3.15Å; E150-C156 PolarHBondContact OE1-N 2.76Å; E150-C156 WeakPolarHBondContact OE2-CA 3.34Å; E150-C156 WeakPolarHBondContact OE2-CB 3.38Å; E150-C156 PolarHBondContact OE2-N 3.33Å; E150-H157 WeakPolarHBondContact OE1-CB 3.47Å; E150-H157 PolarHBondContact OE1-N 3.31Å
151	N	96.6	Very high	97.6	Very high	120 Å²	120	42.4 Å²	42.4	64%	0.642	20%	0.199	S	C	*	.	H	α-helix	trans	-63.2	-29.5	176.5	-71.9	-30.9	0	0	0	112.6	D147	D147-N151 VanDerWaalsContact O-CB 3.23Å; D147-N151 WeakPolarHBondContact O-CB 3.32Å; D147-N151 PolarHBondContact O-N 3.14Å; D147-N151 PolarHBondContact O-ND2 3.27Å
152	E	96.9	Very high	97.7	Very high	117 Å²	117	38.4 Å²	38.4	55%	0.547	18%	0.18	S	C	.	.	H	α-helix	trans	-80.5	-31.6	176.6	-73	170.6	-178	0	0	113	K55 E148 Y149 E150	K55-E152 IonicContact NZ-OE1 3.73Å; K55-E152 IonicContact NZ-OE2 2.8Å; K55-E152 PolarHBondContact NZ-OE2 3.01Å; E148-E152 VanDerWaalsContact O-CG 3.26Å; E148-E152 WeakPolarHBondContact O-CG 3.35Å; E148-E152 PolarHBondContact O-N 3.39Å; Y149-E152 PolarHBondContact O-N 3.02Å; E150-E152 PolarHBondContact O-N 3.39Å
153	T	97.9	Very high	97.8	Very high	22 Å²	22	37.6 Å²	37.6	14%	0.135	18%	0.177	C	C	.	.	H	α-helix	trans	-125.5	-19.8	-162.7	66.1	0	0	0	0	115.8	Y149 E150 L155 R158	Y149-T153 HydrophobicContact CD1-CG2 4.49Å; Y149-T153 HydrophobicContact CD2-CG2 4.45Å; Y149-T153 HydrophobicContact CE1-CG2 4.08Å; Y149-T153 HydrophobicContact CE2-CG2 4.04Å; Y149-T153 WeakPolarHBondContact O-CB 3.32Å; Y149-T153 WeakPolarHBondContact O-CG2 3.48Å; Y149-T153 PolarHBondContact O-N 3Å; Y149-T153 VanDerWaalsContact O-N 3.09Å; Y149-T153 PolarHBondContact O-OG1 2.89Å; E150-T153 PolarHBondContact O-N 3.47Å; T153-L155 PolarHBondContact O-N 3.24Å; T153-L155 VanDerWaalsContact O-N 3.15Å; T153-L155 WeakPolarHBondContact OG1-CB 3.28Å; T153-L155 PolarHBondContact OG1-N 3.24Å; T153-R158 PolarHBondContact O-NH1 3.35Å
154	F	97.8	Very high	97.7	Very high	63 Å²	63	36.2 Å²	36.2	28%	0.276	18%	0.175	S	C	.	.			trans	51.4	29.2	-171.4	-62.1	-97.6	0	0	0	112.8	I22 E150 R158	I22-F154 HydrophobicContact CD1-CB 4.15Å; I22-F154 HydrophobicContact CG1-CB 4.36Å; E150-F154 WeakPolarHBondContact O-CA 3.28Å; E150-F154 PolarHBondContact O-N 3.22Å; E150-F154 WeakPolarHBondContact OE1-CA 3.43Å; F154-R158 WeakPolarHBondContact O-CB 3.44Å; F154-R158 PolarHBondContact O-N 3.34Å
155	L	98.3	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-48.3	-166	-177	67.1	0	0	0	111.8	F45 E48 L49 F135 Y149 E150 T153 R158 F159	F45-L155 HydrophobicContact CD1-CD1 3.68Å; F45-L155 HydrophobicContact CE1-CD1 4.28Å; E48-L155 HydrophobicContact CB-CD1 3.63Å; E48-L155 HydrophobicContact CB-CD2 3.79Å; E48-L155 HydrophobicContact CB-CG 4.36Å; E48-L155 HydrophobicContact CG-CD1 4.34Å; L49-L155 HydrophobicContact CB-CD2 4.28Å; L49-L155 HydrophobicContact CD1-CD2 4.39Å; F135-L155 HydrophobicContact CE1-CB 4.48Å; F135-L155 HydrophobicContact CE1-CD2 3.86Å; F135-L155 HydrophobicContact CE1-CG 4.03Å; F135-L155 HydrophobicContact CZ-CD2 3.76Å; F135-L155 HydrophobicContact CZ-CG 3.75Å; Y149-L155 HydrophobicContact CE1-CB 4.23Å; Y149-L155 HydrophobicContact CE1-CD2 3.73Å; E150-L155 PolarHBondContact OE1-N 3.23Å; E150-L155 PolarHBondContact OE2-N 3.15Å; E150-L155 VanDerWaalsContact OE2-N 3.15Å; T153-L155 PolarHBondContact O-N 3.24Å; T153-L155 VanDerWaalsContact O-N 3.15Å; T153-L155 WeakPolarHBondContact OG1-CB 3.28Å; T153-L155 PolarHBondContact OG1-N 3.24Å; L155-R158 VanDerWaalsContact CD1-NH2 3.35Å; L155-R158 PolarHBondContact O-N 3.05Å; L155-F159 WeakPolarHBondContact O-CB 3.48Å; L155-F159 PolarHBondContact O-N 3.4Å
156	C	98.1	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.4	-37.1	-179.5	-168.5	0	0	0	0	110.8	F135 F146 E150 F159 T160 I178	F135-C156 HydrophobicContact CB-CB 4.48Å; F135-C156 WeakPolarHBondContact CB-SG 3.33Å; F135-C156 HydrophobicContact CD1-CB 3.59Å; F135-C156 HydrophobicContact CD2-CB 4.45Å; F135-C156 HydrophobicContact CE1-CB 3.81Å; F135-C156 HydrophobicContact CG-CB 3.95Å; F135-C156 WeakPolarHBondContact CG-SG 3.48Å; F135-C156 HydrophobicContact CZ-CB 4.37Å; F146-C156 HydrophobicContact CE2-CB 3.86Å; F146-C156 HydrophobicContact CZ-CB 3.81Å; E150-C156 PolarHBondContact OE1-N 2.76Å; E150-C156 WeakPolarHBondContact OE2-CA 3.34Å; E150-C156 WeakPolarHBondContact OE2-CB 3.38Å; E150-C156 PolarHBondContact OE2-N 3.33Å; C156-F159 PolarHBondContact O-N 2.9Å; C156-T160 VanDerWaalsContact O-CB 3.29Å; C156-T160 WeakPolarHBondContact O-CB 3.4Å; C156-T160 PolarHBondContact O-N 2.85Å; C156-T160 PolarHBondContact O-OG1 2.87Å; C156-I178 HydrophobicContact CB-CD1 3.44Å; C156-I178 VanDerWaalsContact CB-CD1 3.44Å; C156-I178 WeakPolarHBondContact SG-CD1 3.33Å
157	H	97.8	Very high	97.4	Very high	21 Å²	21	42.7 Å²	42.7	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-55.1	172	-168.9	165.7	0	0	0	110.5	I22 E150 F159 T160 K161 I178 E182	I22-H157 HydrophobicContact CD1-CB 3.68Å; I22-H157 VanDerWaalsContact CD1-CD2 3.46Å; I22-H157 WeakPolarHBondContact CD1-CD2 3.39Å; I22-H157 WeakPolarHBondContact CD1-ND1 3.24Å; E150-H157 WeakPolarHBondContact OE1-CB 3.47Å; E150-H157 PolarHBondContact OE1-N 3.31Å; H157-F159 VanDerWaalsContact C-N 3.28Å; H157-F159 PolarHBondContact O-N 2.97Å; H157-T160 PolarHBondContact O-N 2.83Å; H157-K161 VanDerWaalsContact NE2-CE 3.32Å; H157-K161 WeakPolarHBondContact NE2-CE 3.27Å; H157-K161 PolarHBondContact O-N 3.2Å; H157-I178 HydrophobicContact CB-CG2 3.53Å; H157-E182 IonicContact CE1-OE1 2.96Å; H157-E182 IonicContact CE1-OE2 3.72Å; H157-E182 IonicContact NE2-OE1 3.27Å; H157-E182 IonicContact NE2-OE2 3.77Å; H157-E182 PolarHBondContact NE2-OE2 3.39Å
158	R	98	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.8	-41.9	178.7	-175.8	171.6	65.1	-119.8	1.6	111.8	I22 L26 F45 E48 T153 F154 L155 F162	I22-R158 HydrophobicContact CD1-CB 4.45Å; I22-R158 HydrophobicContact CG1-CB 4.22Å; I22-R158 HydrophobicContact CG2-CB 4.11Å; I22-R158 HydrophobicContact CG2-CG 4.08Å; L26-R158 HydrophobicContact CD1-CG 4.32Å; L26-R158 HydrophobicContact CD2-CG 3.88Å; L26-R158 HydrophobicContact CG-CG 4.14Å; F45-R158 HydrophobicContact CE1-CB 4.15Å; F45-R158 HydrophobicContact CE1-CG 3.82Å; F45-R158 HydrophobicContact CZ-CG 3.95Å; E48-R158 IonicContact OE1-CZ 2.68Å; E48-R158 IonicContact OE1-NH2 3.52Å; E48-R158 PolarHBondContact OE1-NH2 3.34Å; E48-R158 IonicContact OE2-CZ 3.59Å; E48-R158 IonicContact OE2-NH2 3.93Å; E48-R158 PolarHBondContact OE2-NH2 3.3Å; T153-R158 PolarHBondContact O-NH1 3.35Å; F154-R158 WeakPolarHBondContact O-CB 3.44Å; F154-R158 PolarHBondContact O-N 3.34Å; L155-R158 VanDerWaalsContact CD1-NH2 3.35Å; L155-R158 PolarHBondContact O-N 3.05Å; R158-F162 VanDerWaalsContact O-CB 3.24Å; R158-F162 WeakPolarHBondContact O-CB 3.34Å; R158-F162 PolarHBondContact O-N 3.48Å
159	F	98.6	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.8	-176.6	-86.9	0	0	0	111.8	L42 F45 C128 I131 Y132 F135 L155 C156 H157 F162 V163 M169	L42-F159 HydrophobicContact CD1-CE2 4.33Å; F45-F159 HydrophobicContact CB-CD2 4.01Å; F45-F159 HydrophobicContact CB-CE2 4.45Å; F45-F159 HydrophobicContact CD1-CB 4.05Å; F45-F159 AromaticContact CD1-CD2 3.92Å; F45-F159 HydrophobicContact CD1-CD2 3.92Å; F45-F159 AromaticContact CD2-CD2 3.75Å; F45-F159 HydrophobicContact CD2-CD2 3.75Å; F45-F159 HydrophobicContact CD2-CE2 4.29Å; F45-F159 HydrophobicContact CE1-CB 3.86Å; F45-F159 HydrophobicContact CE1-CD2 4.31Å; F45-F159 HydrophobicContact CE2-CD2 4.17Å; F45-F159 AromaticContact CG-CD2 3.64Å; F45-F159 HydrophobicContact CG-CD2 3.64Å; F45-F159 HydrophobicContact CG-CE2 4.39Å; F45-F159 HydrophobicContact CZ-CB 4.27Å; F45-F159 HydrophobicContact CZ-CD2 4.44Å; C128-F159 HydrophobicContact CB-CZ 3.85Å; C128-F159 WeakPolarHBondContact O-CZ 3.47Å; I131-F159 HydrophobicContact CB-CE2 4.22Å; I131-F159 HydrophobicContact CB-CZ 4.13Å; I131-F159 HydrophobicContact CG2-CD2 4.11Å; I131-F159 HydrophobicContact CG2-CE1 4.4Å; I131-F159 HydrophobicContact CG2-CE2 3.52Å; I131-F159 HydrophobicContact CG2-CZ 3.69Å; Y132-F159 HydrophobicContact CD2-CD1 4.01Å; Y132-F159 AromaticContact CD2-CE1 3.88Å; Y132-F159 HydrophobicContact CD2-CE1 3.88Å; Y132-F159 HydrophobicContact CG-CE1 4.41Å; F135-F159 HydrophobicContact CD2-CD1 4.26Å; F135-F159 HydrophobicContact CD2-CG 4.43Å; F135-F159 HydrophobicContact CE2-CB 3.95Å; F135-F159 HydrophobicContact CE2-CD1 4.01Å; F135-F159 HydrophobicContact CE2-CD2 4.11Å; F135-F159 AromaticContact CE2-CG 3.75Å; F135-F159 HydrophobicContact CE2-CG 3.75Å; F135-F159 HydrophobicContact CZ-CB 4.42Å; L155-F159 WeakPolarHBondContact O-CB 3.48Å; L155-F159 PolarHBondContact O-N 3.4Å; C156-F159 PolarHBondContact O-N 2.9Å; H157-F159 VanDerWaalsContact C-N 3.28Å; H157-F159 PolarHBondContact O-N 2.97Å; F159-F162 WeakPolarHBondContact O-CB 3.4Å; F159-F162 PolarHBondContact O-N 3.46Å; F159-V163 HydrophobicContact CD1-CG1 4.05Å; F159-V163 HydrophobicContact CE1-CG1 3.54Å; F159-V163 HydrophobicContact CE1-CG2 4.34Å; F159-V163 HydrophobicContact CE2-CG1 4.24Å; F159-V163 HydrophobicContact CZ-CG1 3.65Å; F159-V163 WeakPolarHBondContact O-CG2 3.45Å; F159-V163 PolarHBondContact O-N 2.95Å; F159-M169 HydrophobicContact CE1-SD 4.33Å
160	T	97.7	Very high	97	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-47	-178.7	-57.7	0	0	0	0	111.4	C156 H157 F162 V163 M164 L174 L179	C156-T160 VanDerWaalsContact O-CB 3.29Å; C156-T160 WeakPolarHBondContact O-CB 3.4Å; C156-T160 PolarHBondContact O-N 2.85Å; C156-T160 PolarHBondContact O-OG1 2.87Å; H157-T160 PolarHBondContact O-N 2.83Å; T160-F162 VanDerWaalsContact C-N 3.32Å; T160-F162 PolarHBondContact O-N 3.42Å; T160-V163 WeakPolarHBondContact O-CG2 3.24Å; T160-V163 PolarHBondContact O-N 3.29Å; T160-M164 WeakPolarHBondContact O-CB 3.12Å; T160-M164 WeakPolarHBondContact O-CG 3.42Å; T160-M164 PolarHBondContact O-N 2.87Å; T160-M164 VanDerWaalsContact O-N 3.16Å; T160-L174 HydrophobicContact CG2-CD1 4.04Å; T160-L174 HydrophobicContact CG2-CD2 4.47Å; T160-L179 HydrophobicContact CG2-CD1 3.88Å; T160-L179 HydrophobicContact CG2-CD2 4.38Å; T160-L179 HydrophobicContact CG2-CG 3.88Å
161	K	97.4	Very high	96.6	Very high	38 Å²	38	45.7 Å²	45.7	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-43.5	172.4	-83.9	-172	170.7	177.4	0	111.5	I22 D23 L26 H157 M164 K165 L179 E182	I22-K161 HydrophobicContact CB-CD 4.49Å; I22-K161 HydrophobicContact CG2-CB 4.28Å; I22-K161 HydrophobicContact CG2-CD 3.67Å; D23-K161 IonicContact OD1-NZ 3.6Å; D23-K161 PolarHBondContact OD1-NZ 2.86Å; D23-K161 IonicContact OD2-NZ 3.19Å; L26-K161 HydrophobicContact CD1-CB 3.82Å; H157-K161 VanDerWaalsContact NE2-CE 3.32Å; H157-K161 WeakPolarHBondContact NE2-CE 3.27Å; H157-K161 PolarHBondContact O-N 3.2Å; K161-M164 PolarHBondContact O-N 3Å; K161-K165 VanDerWaalsContact O-CB 3.26Å; K161-K165 WeakPolarHBondContact O-CB 3.42Å; K161-K165 PolarHBondContact O-N 3.26Å; K161-L179 HydrophobicContact CG-CD2 3.78Å; K161-E182 WeakPolarHBondContact CE-OE1 3.28Å; K161-E182 WeakPolarHBondContact CE-OE2 3.31Å; K161-E182 IonicContact NZ-OE1 2.84Å; K161-E182 PolarHBondContact NZ-OE1 3.08Å; K161-E182 IonicContact NZ-OE2 3.81Å; K161-E182 PolarHBondContact NZ-OE2 3.24Å
162	F	98.3	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-49.9	179.2	171.6	-94.8	0	0	0	113	L26 K38 H41 F45 R158 F159 T160 M164 K165 Y166 L168	L26-F162 HydrophobicContact CD1-CB 4.1Å; L26-F162 HydrophobicContact CD2-CB 4.04Å; L26-F162 HydrophobicContact CD2-CD2 4.1Å; K38-F162 HydrophobicContact CB-CZ 4.17Å; K38-F162 HydrophobicContact CG-CZ 4.27Å; H41-F162 HydrophobicContact CB-CD2 4.06Å; H41-F162 HydrophobicContact CB-CE2 3.47Å; H41-F162 VanDerWaalsContact CB-CE2 3.47Å; H41-F162 HydrophobicContact CB-CZ 3.75Å; H41-F162 AromaticContact CG-CE2 3.86Å; F45-F162 HydrophobicContact CD2-CD1 4.32Å; F45-F162 HydrophobicContact CE2-CB 3.91Å; F45-F162 AromaticContact CE2-CD1 3.53Å; F45-F162 HydrophobicContact CE2-CD1 3.53Å; F45-F162 HydrophobicContact CE2-CD2 4.13Å; F45-F162 HydrophobicContact CE2-CE1 4.02Å; F45-F162 AromaticContact CE2-CG 3.59Å; F45-F162 HydrophobicContact CE2-CG 3.59Å; F45-F162 HydrophobicContact CZ-CB 3.83Å; F45-F162 HydrophobicContact CZ-CD1 4.31Å; F45-F162 HydrophobicContact CZ-CG 4.03Å; R158-F162 VanDerWaalsContact O-CB 3.24Å; R158-F162 WeakPolarHBondContact O-CB 3.34Å; R158-F162 PolarHBondContact O-N 3.48Å; F159-F162 WeakPolarHBondContact O-CB 3.4Å; F159-F162 PolarHBondContact O-N 3.46Å; T160-F162 VanDerWaalsContact C-N 3.32Å; T160-F162 PolarHBondContact O-N 3.42Å; F162-M164 VanDerWaalsContact C-N 3.28Å; F162-M164 PolarHBondContact O-N 3.2Å; F162-K165 PolarHBondContact O-N 3.43Å; F162-Y166 AromaticContact CD2-CD2 3.52Å; F162-Y166 HydrophobicContact CD2-CD2 3.52Å; F162-Y166 AromaticContact CD2-CE2 3.58Å; F162-Y166 HydrophobicContact CD2-CE2 3.58Å; F162-Y166 AromaticContact CE2-CD2 3.46Å; F162-Y166 HydrophobicContact CE2-CD2 3.46Å; F162-Y166 VanDerWaalsContact CE2-CD2 3.46Å; F162-Y166 AromaticContact CE2-CE2 3.56Å; F162-Y166 HydrophobicContact CE2-CE2 3.56Å; F162-Y166 HydrophobicContact CG-CD2 4.18Å; F162-Y166 HydrophobicContact CZ-CD2 4.07Å; F162-Y166 WeakPolarHBondContact O-CD2 3.41Å; F162-Y166 PolarHBondContact O-N 3.16Å; F162-Y166 VanDerWaalsContact O-N 3.15Å; F162-L168 HydrophobicContact CD1-CD1 4.13Å; F162-L168 HydrophobicContact CE1-CD1 3.39Å; F162-L168 HydrophobicContact CZ-CD1 3.91Å
163	V	97.8	Very high	95.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-30.3	-178	-62.4	0	0	0	0	112.5	C128 F159 T160 N167 L168 M169 L174	C128-V163 HydrophobicContact CB-CG1 3.97Å; F159-V163 HydrophobicContact CD1-CG1 4.05Å; F159-V163 HydrophobicContact CE1-CG1 3.54Å; F159-V163 HydrophobicContact CE1-CG2 4.34Å; F159-V163 HydrophobicContact CE2-CG1 4.24Å; F159-V163 HydrophobicContact CZ-CG1 3.65Å; F159-V163 WeakPolarHBondContact O-CG2 3.45Å; F159-V163 PolarHBondContact O-N 2.95Å; T160-V163 WeakPolarHBondContact O-CG2 3.24Å; T160-V163 PolarHBondContact O-N 3.29Å; V163-N167 PolarHBondContact O-N 2.94Å; V163-N167 VanDerWaalsContact O-N 3.13Å; V163-L168 HydrophobicContact CB-CB 4.15Å; V163-L168 HydrophobicContact CG1-CB 4.29Å; V163-L168 PolarHBondContact O-N 2.87Å; V163-M169 HydrophobicContact CB-CB 4.27Å; V163-M169 HydrophobicContact CB-CG 4.27Å; V163-M169 HydrophobicContact CB-SD 4.47Å; V163-M169 HydrophobicContact CG1-CG 4.49Å; V163-M169 HydrophobicContact CG1-SD 4.32Å; V163-M169 HydrophobicContact CG2-CB 4.26Å; V163-M169 HydrophobicContact CG2-CG 4.5Å; V163-M169 HydrophobicContact CG2-SD 4.36Å; V163-L174 HydrophobicContact CG2-CD1 4.43Å; V163-L174 HydrophobicContact CG2-CD2 4.06Å
164	M	95.9	Very high	95.6	Very high	62 Å²	62	45.8 Å²	45.8	31%	0.305	23%	0.228	S	C	.	.	H	α-helix	trans	-70.8	-50.3	173	-73.7	-65	-71.8	0	0	111.5	T160 K161 F162 Y166 N167 K171 L174 L179	T160-M164 WeakPolarHBondContact O-CB 3.12Å; T160-M164 WeakPolarHBondContact O-CG 3.42Å; T160-M164 PolarHBondContact O-N 2.87Å; T160-M164 VanDerWaalsContact O-N 3.16Å; K161-M164 PolarHBondContact O-N 3Å; F162-M164 VanDerWaalsContact C-N 3.28Å; F162-M164 PolarHBondContact O-N 3.2Å; M164-Y166 PolarHBondContact O-N 3.13Å; M164-Y166 VanDerWaalsContact O-N 3.13Å; M164-N167 PolarHBondContact O-N 2.84Å; M164-N167 VanDerWaalsContact O-N 3.14Å; M164-K171 HydrophobicContact CE-CB 4.09Å; M164-K171 HydrophobicContact CE-CD 4.38Å; M164-K171 HydrophobicContact CE-CG 4.16Å; M164-K171 HydrophobicContact SD-CB 4.28Å; M164-L174 HydrophobicContact CG-CD1 3.54Å; M164-L174 HydrophobicContact SD-CD1 3.36Å; M164-L174 WeakPolarHBondContact SD-CD1 3.36Å; M164-L179 HydrophobicContact CG-CD1 4.41Å
165	K	95.8	Very high	95.4	Very high	107 Å²	107	46 Å²	46	47%	0.465	23%	0.232	S	C	.	.	H	α-helix	trans	-52.9	-37.4	178.6	-179.3	173.4	-178	172.7	0	112.4	L26 K161 F162	L26-K165 PolarHBondContact O-NZ 3.36Å; K161-K165 VanDerWaalsContact O-CB 3.26Å; K161-K165 WeakPolarHBondContact O-CB 3.42Å; K161-K165 PolarHBondContact O-N 3.26Å; F162-K165 PolarHBondContact O-N 3.43Å
166	Y	96.6	Very high	95.1	Very high	25 Å²	25	46.3 Å²	46.3	10%	0.098	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	10.2	-175.7	-68.7	-61.6	0	0	0	114.8	E34 W37 K38 F162 M164 L168	E34-Y166 HydrophobicContact CG-CD1 4.28Å; E34-Y166 HydrophobicContact CG-CE1 4Å; W37-Y166 AromaticContact CD1-CE2 3.96Å; W37-Y166 AromaticContact CD1-CZ 3.62Å; W37-Y166 AromaticContact NE1-CZ 3.88Å; W37-Y166 PolarHBondContact NE1-OH 2.84Å; W37-Y166 VanDerWaalsContact NE1-OH 3.08Å; K38-Y166 HydrophobicContact CD-CD1 4.39Å; K38-Y166 HydrophobicContact CD-CG 4.42Å; K38-Y166 HydrophobicContact CG-CD1 4.23Å; K38-Y166 HydrophobicContact CG-CD2 4.36Å; K38-Y166 HydrophobicContact CG-CG 4.09Å; F162-Y166 AromaticContact CD2-CD2 3.52Å; F162-Y166 HydrophobicContact CD2-CD2 3.52Å; F162-Y166 AromaticContact CD2-CE2 3.58Å; F162-Y166 HydrophobicContact CD2-CE2 3.58Å; F162-Y166 AromaticContact CE2-CD2 3.46Å; F162-Y166 HydrophobicContact CE2-CD2 3.46Å; F162-Y166 VanDerWaalsContact CE2-CD2 3.46Å; F162-Y166 AromaticContact CE2-CE2 3.56Å; F162-Y166 HydrophobicContact CE2-CE2 3.56Å; F162-Y166 HydrophobicContact CG-CD2 4.18Å; F162-Y166 HydrophobicContact CZ-CD2 4.07Å; F162-Y166 WeakPolarHBondContact O-CD2 3.41Å; F162-Y166 PolarHBondContact O-N 3.16Å; F162-Y166 VanDerWaalsContact O-N 3.15Å; M164-Y166 PolarHBondContact O-N 3.13Å; M164-Y166 VanDerWaalsContact O-N 3.13Å; Y166-L168 PolarHBondContact O-N 3.21Å; Y166-L168 VanDerWaalsContact O-N 3.15Å
167	N	95.6	Very high	94.8	Very high	145 Å²	145	48 Å²	48	78%	0.775	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	36.3	-179.8	-61	-59.1	0	0	0	113.9	V163 M164 M169	V163-N167 PolarHBondContact O-N 2.94Å; V163-N167 VanDerWaalsContact O-N 3.13Å; M164-N167 PolarHBondContact O-N 2.84Å; M164-N167 VanDerWaalsContact O-N 3.14Å; N167-M169 VanDerWaalsContact C-N 3.32Å
168	L	96.3	Very high	94.1	Very high	20 Å²	20	47.3 Å²	47.3	11%	0.105	24%	0.242	C	C	.	.	S	Bend	trans	-80.4	-19.3	-179.6	-64.2	174.4	0	0	0	112.3	L124 F162 V163 Y166	L124-L168 HydrophobicContact CB-CD2 4.47Å; F162-L168 HydrophobicContact CD1-CD1 4.13Å; F162-L168 HydrophobicContact CE1-CD1 3.39Å; F162-L168 HydrophobicContact CZ-CD1 3.91Å; V163-L168 HydrophobicContact CB-CB 4.15Å; V163-L168 HydrophobicContact CG1-CB 4.29Å; V163-L168 PolarHBondContact O-N 2.87Å; Y166-L168 PolarHBondContact O-N 3.21Å; Y166-L168 VanDerWaalsContact O-N 3.15Å
169	M	95.1	Very high	93.2	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.064	26%	0.255	C	S	.	.	S	Bend	trans	-142.9	148.4	176.1	-66.5	-176.2	51.6	0	0	109.7	C128 R129 Y132 F159 V163 N167 N173 L174	C128-M169 VanDerWaalsContact C-SD 3.58Å; C128-M169 HydrophobicContact CB-CG 4.15Å; C128-M169 HydrophobicContact CB-SD 3.96Å; R129-M169 HydrophobicContact CB-SD 4.48Å; R129-M169 HydrophobicContact CG-CE 4.03Å; R129-M169 HydrophobicContact CG-CG 3.79Å; R129-M169 HydrophobicContact CG-SD 4Å; Y132-M169 HydrophobicContact CD1-CE 3.85Å; Y132-M169 HydrophobicContact CG-CE 3.77Å; Y132-M169 HydrophobicContact CG-SD 4.36Å; F159-M169 HydrophobicContact CE1-SD 4.33Å; V163-M169 HydrophobicContact CB-CB 4.27Å; V163-M169 HydrophobicContact CB-CG 4.27Å; V163-M169 HydrophobicContact CB-SD 4.47Å; V163-M169 HydrophobicContact CG1-CG 4.49Å; V163-M169 HydrophobicContact CG1-SD 4.32Å; V163-M169 HydrophobicContact CG2-CB 4.26Å; V163-M169 HydrophobicContact CG2-CG 4.5Å; V163-M169 HydrophobicContact CG2-SD 4.36Å; N167-M169 VanDerWaalsContact C-N 3.32Å; M169-N173 HydrophobicContact CE-CB 4.09Å; M169-L174 HydrophobicContact CE-CD2 3.78Å; M169-L174 HydrophobicContact SD-CD2 4.45Å
170	S	92.3	Very high	92.1	Very high	58 Å²	58	55.4 Å²	55.4	41%	0.406	28%	0.281	S	S	.	.			trans	-78.8	150.7	171.4	67.2	0	0	0	0	110.8	D172 N173	S170-D172 PolarHBondContact O-N 2.79Å; S170-N173 WeakPolarHBondContact O-CB 3.22Å; S170-N173 PolarHBondContact O-N 2.96Å; S170-N173 PolarHBondContact OG-ND2 3.43Å
171	K	89.5	Confident	90.8	Very high	147 Å²	147	58.7 Å²	58.7	64%	0.639	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-55.4	-38.7	178.5	-167.9	179.1	178.3	-176.9	0	112.5	M164 N173 L174	M164-K171 HydrophobicContact CE-CB 4.09Å; M164-K171 HydrophobicContact CE-CD 4.38Å; M164-K171 HydrophobicContact CE-CG 4.16Å; M164-K171 HydrophobicContact SD-CB 4.28Å; K171-N173 PolarHBondContact O-N 3.03Å; K171-N173 VanDerWaalsContact O-N 3.11Å; K171-L174 WeakPolarHBondContact O-CB 3.26Å; K171-L174 PolarHBondContact O-N 2.7Å
172	D	88.1	Confident	89.5	Confident	148 Å²	148	60.1 Å²	60.1	79%	0.791	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.9	-179.8	-51.6	-28.8	0	0	0	113.9	S170	S170-D172 PolarHBondContact O-N 2.79Å
173	N	88.9	Confident	88	Confident	84 Å²	84	64.3 Å²	64.3	45%	0.449	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-87.4	-7.3	174.9	-71.2	-56	0	0	0	112.8	Y132 M169 S170 K171	Y132-N173 WeakPolarHBondContact CE1-O 3.31Å; M169-N173 HydrophobicContact CE-CB 4.09Å; S170-N173 WeakPolarHBondContact O-CB 3.22Å; S170-N173 PolarHBondContact O-N 2.96Å; S170-N173 PolarHBondContact OG-ND2 3.43Å; K171-N173 PolarHBondContact O-N 3.03Å; K171-N173 VanDerWaalsContact O-N 3.11Å
174	L	92.9	Very high	86.2	Confident	28 Å²	28	70.7 Å²	70.7	15%	0.147	36%	0.358	C	S	.	.			trans	-96.9	91	-178.2	-59	172.9	0	0	0	109.7	Y132 T160 V163 M164 M169 K171	Y132-L174 HydrophobicContact CD1-CD2 4.23Å; Y132-L174 HydrophobicContact CD2-CD2 3.88Å; Y132-L174 HydrophobicContact CE1-CB 4.47Å; Y132-L174 HydrophobicContact CE1-CD2 3.91Å; Y132-L174 HydrophobicContact CE2-CD2 3.52Å; Y132-L174 HydrophobicContact CG-CD2 4.2Å; Y132-L174 VanDerWaalsContact OH-CA 3.28Å; Y132-L174 WeakPolarHBondContact OH-CA 3.4Å; T160-L174 HydrophobicContact CG2-CD1 4.04Å; T160-L174 HydrophobicContact CG2-CD2 4.47Å; V163-L174 HydrophobicContact CG2-CD1 4.43Å; V163-L174 HydrophobicContact CG2-CD2 4.06Å; M164-L174 HydrophobicContact CG-CD1 3.54Å; M164-L174 HydrophobicContact SD-CD1 3.36Å; M164-L174 WeakPolarHBondContact SD-CD1 3.36Å; M169-L174 HydrophobicContact CE-CD2 3.78Å; M169-L174 HydrophobicContact SD-CD2 4.45Å; K171-L174 WeakPolarHBondContact O-CB 3.26Å; K171-L174 PolarHBondContact O-N 2.7Å
175	I	93.7	Very high	84.6	Confident	69 Å²	69	73.2 Å²	73.2	35%	0.354	37%	0.373	S	S	.	.			trans	-93.7	-10.3	-174.3	60	169.7	0	0	0	114.2	A70 T71 Y132 F140	A70-I175 HydrophobicContact CB-CD1 3.64Å; T71-I175 HydrophobicContact CG2-CD1 4.41Å; Y132-I175 HydrophobicContact CE1-CG1 4.31Å; Y132-I175 PolarHBondContact OH-N 3.29Å; Y132-I175 VanDerWaalsContact OH-N 3.16Å; F140-I175 HydrophobicContact CD2-CD1 4.43Å; F140-I175 HydrophobicContact CE2-CD1 3.81Å; F140-I175 HydrophobicContact CE2-CG1 4.02Å
176	V	93.1	Very high	83	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.03	37%	0.372	C	S	.	.	S	Bend	trans	-85.4	119.2	175.2	-169.2	0	0	0	0	108	Y132 Y139 F146 I178	Y132-V176 HydrophobicContact CE1-CG2 4.41Å; Y132-V176 WeakPolarHBondContact OH-CB 3.31Å; Y132-V176 WeakPolarHBondContact OH-CG2 3.4Å; Y132-V176 PolarHBondContact OH-N 3.11Å; Y139-V176 HydrophobicContact CD1-CG1 4.17Å; Y139-V176 HydrophobicContact CD2-CG1 3.4Å; Y139-V176 VanDerWaalsContact CD2-CG1 3.4Å; Y139-V176 HydrophobicContact CE1-CG1 4.42Å; Y139-V176 HydrophobicContact CE2-CG1 3.64Å; Y139-V176 HydrophobicContact CG-CG1 3.66Å; Y139-V176 HydrophobicContact CG-CG2 4.42Å; F146-V176 HydrophobicContact CZ-CG1 4.35Å; V176-I178 HydrophobicContact CB-CG1 4.34Å; V176-I178 HydrophobicContact CG1-CD1 3.99Å; V176-I178 HydrophobicContact CG1-CG1 3.61Å; V176-I178 PolarHBondContact O-N 3.4Å
177	P	90.5	Very high	81.1	Confident	35 Å²	35	74 Å²	74	23%	0.227	39%	0.392	C	S	.	.			trans	-77.6	34.5	-168.1	33.9	-38.3	0	0	0	114.7	Y139 L179 E180 E181	Y139-P177 VanDerWaalsContact CZ-CD 3.49Å; Y139-P177 WeakPolarHBondContact OH-CD 3.38Å; Y139-P177 WeakPolarHBondContact OH-CG 3.36Å; P177-L179 PolarHBondContact O-N 3.05Å; P177-E180 HydrophobicContact CB-CB 4.5Å; P177-E180 PolarHBondContact O-N 3.35Å; P177-E180 VanDerWaalsContact O-N 3.14Å; P177-E181 WeakPolarHBondContact O-CG 3.16Å; P177-E181 PolarHBondContact O-N 2.92Å; P177-E181 VanDerWaalsContact O-N 3.09Å
178	I	84.6	Confident	79	Confident	8 Å²	8	70.1 Å²	70.1	4%	0.041	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-40.2	-173	-58.8	-170	0	0	0	113.1	F146 C156 H157 V176 E180 E181 E182	F146-I178 HydrophobicContact CZ-CD1 3.99Å; C156-I178 HydrophobicContact CB-CD1 3.44Å; C156-I178 VanDerWaalsContact CB-CD1 3.44Å; C156-I178 WeakPolarHBondContact SG-CD1 3.33Å; H157-I178 HydrophobicContact CB-CG2 3.53Å; V176-I178 HydrophobicContact CB-CG1 4.34Å; V176-I178 HydrophobicContact CG1-CD1 3.99Å; V176-I178 HydrophobicContact CG1-CG1 3.61Å; V176-I178 PolarHBondContact O-N 3.4Å; I178-E180 VanDerWaalsContact C-N 3.26Å; I178-E180 PolarHBondContact O-N 3.18Å; I178-E181 PolarHBondContact O-N 3.42Å; I178-E182 PolarHBondContact O-N 2.84Å; I178-E182 VanDerWaalsContact O-N 3.13Å
179	L	78.3	Confident	76.7	Confident	53 Å²	53	71.7 Å²	71.7	28%	0.277	40%	0.397	S	S	.	.	H	α-helix	trans	-71.6	-25.5	-179.8	-62.8	179.7	0	0	0	112.1	T160 K161 M164 P177 V183	T160-L179 HydrophobicContact CG2-CD1 3.88Å; T160-L179 HydrophobicContact CG2-CD2 4.38Å; T160-L179 HydrophobicContact CG2-CG 3.88Å; K161-L179 HydrophobicContact CG-CD2 3.78Å; M164-L179 HydrophobicContact CG-CD1 4.41Å; P177-L179 PolarHBondContact O-N 3.05Å; L179-V183 WeakPolarHBondContact O-CG2 3.23Å; L179-V183 PolarHBondContact O-N 2.92Å
180	E	76.5	Confident	74.4	Confident	117 Å²	117	78.5 Å²	78.5	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-77.2	-38.2	177.4	-63.6	176.6	-177.6	0	0	110.5	P177 I178 E182 V183 Q184	P177-E180 HydrophobicContact CB-CB 4.5Å; P177-E180 PolarHBondContact O-N 3.35Å; P177-E180 VanDerWaalsContact O-N 3.14Å; I178-E180 VanDerWaalsContact C-N 3.26Å; I178-E180 PolarHBondContact O-N 3.18Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E180-V183 PolarHBondContact O-N 3.48Å; E180-Q184 WeakPolarHBondContact O-CG 3.38Å; E180-Q184 PolarHBondContact O-N 2.87Å
181	E	69.4	Low	72.2	Confident	70 Å²	70	80.4 Å²	80.4	33%	0.327	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-38.8	172.1	-68.9	173.6	-176.4	0	0	111.7	P177 I178 Q184 N185	P177-E181 WeakPolarHBondContact O-CG 3.16Å; P177-E181 PolarHBondContact O-N 2.92Å; P177-E181 VanDerWaalsContact O-N 3.09Å; I178-E181 PolarHBondContact O-N 3.42Å; E181-Q184 PolarHBondContact O-N 3.35Å; E181-N185 WeakPolarHBondContact O-CB 3.47Å; E181-N185 PolarHBondContact O-N 2.85Å; E181-N185 PolarHBondContact O-ND2 3.13Å
182	E	70.6	Confident	69.9	Low	68 Å²	68	82.2 Å²	82.2	32%	0.318	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-45.9	174.6	-174	-178.1	-152.7	0	0	112.3	H157 K161 I178 E180 Q184 N185 S186	H157-E182 IonicContact CE1-OE1 2.96Å; H157-E182 IonicContact CE1-OE2 3.72Å; H157-E182 IonicContact NE2-OE1 3.27Å; H157-E182 IonicContact NE2-OE2 3.77Å; H157-E182 PolarHBondContact NE2-OE2 3.39Å; K161-E182 WeakPolarHBondContact CE-OE1 3.28Å; K161-E182 WeakPolarHBondContact CE-OE2 3.31Å; K161-E182 IonicContact NZ-OE1 2.84Å; K161-E182 PolarHBondContact NZ-OE1 3.08Å; K161-E182 IonicContact NZ-OE2 3.81Å; K161-E182 PolarHBondContact NZ-OE2 3.24Å; I178-E182 PolarHBondContact O-N 2.84Å; I178-E182 VanDerWaalsContact O-N 3.13Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E182-Q184 VanDerWaalsContact C-N 3.34Å; E182-Q184 PolarHBondContact O-N 3.4Å; E182-N185 PolarHBondContact O-N 3.3Å; E182-S186 PolarHBondContact O-N 2.78Å; E182-S186 PolarHBondContact O-OG 3.42Å
183	V	66.1	Low	67.4	Low	88 Å²	88	82.4 Å²	82.4	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-67.1	-35.8	179.4	174.8	0	0	0	0	111.5	L179 E180 S186 V187	L179-V183 WeakPolarHBondContact O-CG2 3.23Å; L179-V183 PolarHBondContact O-N 2.92Å; E180-V183 PolarHBondContact O-N 3.48Å; V183-S186 PolarHBondContact O-OG 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.28Å; V183-V187 PolarHBondContact O-N 3.22Å
184	Q	60.4	Low	66.3	Low	134 Å²	134	82.4 Å²	82.4	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-70.3	-37.9	175.8	-72.6	175.9	8.6	0	0	111.9	E180 E181 E182 S188	E180-Q184 WeakPolarHBondContact O-CG 3.38Å; E180-Q184 PolarHBondContact O-N 2.87Å; E181-Q184 PolarHBondContact O-N 3.35Å; E182-Q184 VanDerWaalsContact C-N 3.34Å; E182-Q184 PolarHBondContact O-N 3.4Å; Q184-S188 WeakPolarHBondContact O-CB 3.29Å; Q184-S188 PolarHBondContact O-N 3.34Å; Q184-S188 PolarHBondContact O-OG 3.19Å
185	N	62.5	Low	64.9	Low	115 Å²	115	85.2 Å²	85.2	62%	0.615	49%	0.494	S	S	*	.	H	α-helix	trans	-70.8	-34.1	177.6	-72.4	-18.6	0	0	0	112.8	E181 E182 S188 G189	E181-N185 WeakPolarHBondContact O-CB 3.47Å; E181-N185 PolarHBondContact O-N 2.85Å; E181-N185 PolarHBondContact O-ND2 3.13Å; E182-N185 PolarHBondContact O-N 3.3Å; N185-S188 WeakPolarHBondContact CA-OG 3.37Å; N185-S188 PolarHBondContact O-OG 3.2Å; N185-G189 PolarHBondContact O-N 3.16Å; N185-G189 VanDerWaalsContact O-N 3.12Å
186	S	61.5	Low	63.3	Low	64 Å²	64	86.1 Å²	86.1	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-69.2	-40.4	173.9	61.4	0	0	0	0	112.5	E182 V183 G189 E190	E182-S186 PolarHBondContact O-N 2.78Å; E182-S186 PolarHBondContact O-OG 3.42Å; V183-S186 PolarHBondContact O-OG 3.31Å; S186-G189 PolarHBondContact O-N 2.86Å; S186-E190 PolarHBondContact O-N 3.1Å
187	V	57.7	Low	61.6	Low	84 Å²	84	90.9 Å²	90.9	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-70.6	-34.4	178.8	175.1	0	0	0	0	112.4	V183 S191	V183-V187 WeakPolarHBondContact O-CG2 3.28Å; V183-V187 PolarHBondContact O-N 3.22Å; V187-S191 PolarHBondContact O-OG 2.7Å; V187-S191 VanDerWaalsContact O-OG 3.11Å
188	S	51.3	Low	59.8	Low	65 Å²	65	94.4 Å²	94.4	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-73.9	-33.1	175.6	44.8	0	0	0	0	112.8	Q184 N185 S191	Q184-S188 WeakPolarHBondContact O-CB 3.29Å; Q184-S188 PolarHBondContact O-N 3.34Å; Q184-S188 PolarHBondContact O-OG 3.19Å; N185-S188 WeakPolarHBondContact CA-OG 3.37Å; N185-S188 PolarHBondContact O-OG 3.2Å; S188-S191 PolarHBondContact O-N 3.16Å
189	G	47.9	Very low	58.1	Low	52 Å²	52	100.1 Å²	100.1	54%	0.536	58%	0.582	S	S	.	*	H	α-helix	trans	-69.9	-26	173.8	0	0	0	0	0	115	N185 S186 S191	N185-G189 PolarHBondContact O-N 3.16Å; N185-G189 VanDerWaalsContact O-N 3.12Å; S186-G189 PolarHBondContact O-N 2.86Å; G189-S191 VanDerWaalsContact C-N 3.34Å
190	E	47.4	Very low	56.7	Low	157 Å²	157	103.5 Å²	103.5	73%	0.734	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-80.2	-13	174.9	-74.5	-178.4	164.7	0	0	113.5	S186	S186-E190 PolarHBondContact O-N 3.1Å
191	S	45.6	Very low	55.2	Low	98 Å²	98	102.5 Å²	102.5	69%	0.685	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-88.4	-4	-177.9	-60.4	0	0	0	0	114	V187 S188 G189	V187-S191 PolarHBondContact O-OG 2.7Å; V187-S191 VanDerWaalsContact O-OG 3.11Å; S188-S191 PolarHBondContact O-N 3.16Å; G189-S191 VanDerWaalsContact C-N 3.34Å
192	E	40.3	Very low	54	Low	184 Å²	184	105.2 Å²	105.2	86%	0.86	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-115.6	13.5	179.1	-65.5	-166.9	144.5	0	0	114
193	A	36.7	Very low	52.5	Low	153 Å²	153	108.5 Å²	108.5	100%	1.264	66%	0.66	S	S	*	*			trans	-107	0	177.3	0	0	0	0	0	113.5

Retrieved 193 of 193 residues in 60.8 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).