A0A3Q0KSP9_SCHMA Loading...

Putative dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KSP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 260 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	39.2	Very low	85.9	Confident	192 Å²	192	55.2 Å²	55.2	95%	0.946	33%	0.329	S	S	*	.				0	147.4	0	-76.9	-139.8	-94.1	0	0	110
2	G	55.6	Low	86.9	Confident	19 Å²	19	50.6 Å²	50.6	20%	0.196	30%	0.302	C	S	.	.			trans	113.6	-6.5	177.3	0	0	0	0	0	116.5	C89 R121	G2-C89 WeakPolarHBondContact CA-O 3.34Å; G2-R121 PolarHBondContact O-NH1 3.08Å; G2-R121 PolarHBondContact O-NH2 3.38Å
3	G	73.3	Confident	87.8	Confident	56 Å²	56	48.4 Å²	48.4	58%	0.577	29%	0.285	S	S	*	.			trans	60.3	-163.8	174.1	0	0	0	0	0	114.9	S19	G3-S19 PolarHBondContact O-OG 2.74Å
4	S	91.4	Very high	88.6	Confident	83 Å²	83	44.9 Å²	44.9	58%	0.58	27%	0.265	S	S	*	.	S	Bend	trans	-64.6	155.3	167.9	47.6	0	0	0	0	110.9	R121	S4-R121 PolarHBondContact O-NH1 2.84Å
5	M	96.8	Very high	89.2	Confident	14 Å²	14	41.9 Å²	41.9	7%	0.069	25%	0.247	C	C	.	.			trans	-65.2	147.3	168.4	63.7	-172.3	67.4	0	0	110.4	Y13 I14 Q25 L26 N29 I31 L84	M5-Y13 HydrophobicContact CG-CD1 4.12Å; M5-Y13 HydrophobicContact SD-CD1 4.19Å; M5-Y13 HydrophobicContact SD-CG 4.4Å; M5-I14 CarbonylContact C-O 3.33Å; M5-I14 VanDerWaalsContact CA-O 3.29Å; M5-I14 WeakPolarHBondContact CA-O 3.49Å; M5-Q25 HydrophobicContact CE-CB 3.58Å; M5-Q25 HydrophobicContact SD-CB 4.47Å; M5-L26 HydrophobicContact CE-CD2 4.14Å; M5-N29 HydrophobicContact SD-CB 3.98Å; M5-I31 HydrophobicContact SD-CD1 4.12Å; M5-I31 HydrophobicContact SD-CG1 4.05Å; M5-L84 HydrophobicContact CB-CD1 3.96Å; M5-L84 HydrophobicContact CE-CD1 4.31Å; M5-L84 HydrophobicContact CE-CD2 3.96Å; M5-L84 HydrophobicContact SD-CD1 4.33Å
6	S	97.4	Very high	89.6	Confident	19 Å²	19	39.3 Å²	39.3	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.9	178.3	-58.5	0	0	0	0	109.2	I8 Y13 I14 A120 R121	S6-I8 PolarHBondContact O-N 3.36Å; S6-Y13 CarbonylContact O-C 3.45Å; S6-Y13 VanDerWaalsContact O-CA 3.26Å; S6-Y13 WeakPolarHBondContact O-CA 3.27Å; S6-I14 PolarHBondContact N-O 3.36Å; S6-I14 PolarHBondContact O-N 3.3Å; S6-A120 WeakPolarHBondContact CB-O 3.18Å; S6-A120 PolarHBondContact OG-O 3.27Å; S6-R121 PolarHBondContact OG-NH1 2.76Å
7	R	97.9	Very high	89.9	Confident	149 Å²	149	38.1 Å²	38.1	56%	0.562	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.7	169	-167.5	174	69.5	-176.4	3	109.2	Y13	R7-Y13 VanDerWaalsContact CA-CD1 3.48Å; R7-Y13 HydrophobicContact CB-CD1 3.78Å; R7-Y13 HydrophobicContact CB-CE1 3.43Å; R7-Y13 VanDerWaalsContact CB-CE1 3.43Å; R7-Y13 HydrophobicContact CG-CD1 4.22Å; R7-Y13 HydrophobicContact CG-CE1 3.68Å; R7-Y13 HydrophobicContact CG-CE2 4.39Å
8	I	98.2	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-51.4	179	-54.2	-52.7	0	0	0	110.2	S6 L12 I14 T98 L102 V117 A120 V168 L169	S6-I8 PolarHBondContact O-N 3.36Å; I8-L12 PolarHBondContact N-O 3.38Å; I8-I14 HydrophobicContact CD1-CB 4.35Å; I8-I14 HydrophobicContact CD1-CD1 3.73Å; I8-I14 HydrophobicContact CD1-CG1 4.03Å; I8-I14 HydrophobicContact CG1-CB 4.33Å; I8-I14 HydrophobicContact CG1-CD1 3.66Å; I8-I14 HydrophobicContact CG1-CG1 3.65Å; I8-T98 HydrophobicContact CG1-CG2 4.35Å; I8-T98 HydrophobicContact CG2-CG2 4.27Å; I8-L102 HydrophobicContact CG2-CD1 3.99Å; I8-V117 HydrophobicContact CD1-CG1 4.34Å; I8-V117 HydrophobicContact CG2-CG2 3.97Å; I8-A120 HydrophobicContact CD1-CB 3.64Å; I8-V168 VanDerWaalsContact O-CG1 3.23Å; I8-V168 WeakPolarHBondContact O-CG1 3.26Å; I8-L169 HydrophobicContact CG2-CD2 4.45Å
9	V	98.3	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	166.7	172.2	-68.1	0	0	0	0	108.5	G11 L12 L102 D165 L169	V9-G11 PolarHBondContact O-N 2.93Å; V9-G11 VanDerWaalsContact O-N 3.14Å; V9-L12 HydrophobicContact CG2-CB 3.7Å; V9-L12 HydrophobicContact CG2-CD2 4.04Å; V9-L12 HydrophobicContact CG2-CG 4.44Å; V9-L12 PolarHBondContact O-N 3.48Å; V9-L102 HydrophobicContact CG1-CD2 4.38Å; V9-L102 HydrophobicContact CG2-CD2 4.35Å; V9-D165 HydrophobicContact CB-CB 4.38Å; V9-D165 WeakPolarHBondContact CB-OD1 3.48Å; V9-D165 HydrophobicContact CG1-CB 4.16Å; V9-L169 HydrophobicContact CG1-CD1 3.79Å; V9-L169 HydrophobicContact CG1-CD2 3.92Å; V9-L169 HydrophobicContact CG1-CG 3.63Å
10	P	98.1	Very high	90.5	Very high	57 Å²	57	34.8 Å²	34.8	37%	0.37	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	122.6	175.3	-30.5	37.1	0	0	0	112.9	L12 R77 A164 D165	P10-L12 PolarHBondContact O-N 3.27Å; P10-R77 PolarHBondContact O-NE 3.27Å; P10-R77 VanDerWaalsContact O-NE 3.1Å; P10-R77 PolarHBondContact O-NH2 2.91Å; P10-A164 HydrophobicContact CG-CB 4.28Å; P10-D165 WeakPolarHBondContact CD-OD1 3.36Å
11	G	98.2	Very high	90.7	Very high	18 Å²	18	39.7 Å²	39.7	19%	0.186	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.1	-179.4	0	0	0	0	0	116.1	V9 A82 V83	V9-G11 PolarHBondContact O-N 2.93Å; V9-G11 VanDerWaalsContact O-N 3.14Å; G11-A82 CarbonylContact O-C 3.55Å; G11-A82 WeakPolarHBondContact O-CA 3.49Å; G11-V83 PolarHBondContact O-N 3.45Å
12	L	98.8	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.5	179.5	-176.4	57.3	0	0	0	112.4	I8 V9 P10 I73 V83 V85 T98 Y101	I8-L12 PolarHBondContact N-O 3.38Å; V9-L12 HydrophobicContact CG2-CB 3.7Å; V9-L12 HydrophobicContact CG2-CD2 4.04Å; V9-L12 HydrophobicContact CG2-CG 4.44Å; V9-L12 PolarHBondContact O-N 3.48Å; P10-L12 PolarHBondContact O-N 3.27Å; L12-I73 HydrophobicContact CD1-CG2 3.83Å; L12-I73 HydrophobicContact CD2-CG2 4.36Å; L12-V83 HydrophobicContact CD1-CB 4.26Å; L12-V85 HydrophobicContact CD1-CG2 3.83Å; L12-T98 HydrophobicContact CD2-CG2 3.89Å; L12-T98 HydrophobicContact CG-CG2 4.38Å; L12-Y101 HydrophobicContact CD2-CD1 3.65Å; L12-Y101 HydrophobicContact CD2-CE1 3.92Å
13	Y	98.7	Very high	95.2	Very high	22 Å²	22	37.9 Å²	37.9	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.1	-175.9	-63.6	-101.9	0	0	0	111.6	M5 S6 R7 N29 I31 A82 V83 V85	M5-Y13 HydrophobicContact CG-CD1 4.12Å; M5-Y13 HydrophobicContact SD-CD1 4.19Å; M5-Y13 HydrophobicContact SD-CG 4.4Å; S6-Y13 CarbonylContact O-C 3.45Å; S6-Y13 VanDerWaalsContact O-CA 3.26Å; S6-Y13 WeakPolarHBondContact O-CA 3.27Å; R7-Y13 VanDerWaalsContact CA-CD1 3.48Å; R7-Y13 HydrophobicContact CB-CD1 3.78Å; R7-Y13 HydrophobicContact CB-CE1 3.43Å; R7-Y13 VanDerWaalsContact CB-CE1 3.43Å; R7-Y13 HydrophobicContact CG-CD1 4.22Å; R7-Y13 HydrophobicContact CG-CE1 3.68Å; R7-Y13 HydrophobicContact CG-CE2 4.39Å; Y13-N29 HydrophobicContact CE1-CB 3.94Å; Y13-N29 VanDerWaalsContact CE1-OD1 3.3Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.46Å; Y13-N29 HydrophobicContact CE2-CB 4.44Å; Y13-I31 HydrophobicContact CD2-CD1 3.56Å; Y13-I31 HydrophobicContact CE2-CD1 3.98Å; Y13-I31 HydrophobicContact CG-CD1 4.02Å; Y13-A82 HydrophobicContact CD2-CB 4.48Å; Y13-A82 HydrophobicContact CE2-CB 4.07Å; Y13-V83 PolarHBondContact N-O 3.46Å; Y13-V85 PolarHBondContact O-N 3.01Å
14	I	98.6	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	169.7	-61.9	173.5	0	0	0	109.8	M5 S6 I8 V85 V95 T98 V117	M5-I14 CarbonylContact C-O 3.33Å; M5-I14 VanDerWaalsContact CA-O 3.29Å; M5-I14 WeakPolarHBondContact CA-O 3.49Å; S6-I14 PolarHBondContact N-O 3.36Å; S6-I14 PolarHBondContact O-N 3.3Å; I8-I14 HydrophobicContact CD1-CB 4.35Å; I8-I14 HydrophobicContact CD1-CD1 3.73Å; I8-I14 HydrophobicContact CD1-CG1 4.03Å; I8-I14 HydrophobicContact CG1-CB 4.33Å; I8-I14 HydrophobicContact CG1-CD1 3.66Å; I8-I14 HydrophobicContact CG1-CG1 3.65Å; I14-V85 WeakPolarHBondContact CA-O 3.38Å; I14-V95 HydrophobicContact CD1-CG2 4.1Å; I14-V95 HydrophobicContact CG2-CG2 4.11Å; I14-T98 HydrophobicContact CD1-CG2 3.74Å; I14-T98 HydrophobicContact CG1-CG2 4.1Å; I14-T98 WeakPolarHBondContact CG1-OG1 3.47Å; I14-V117 HydrophobicContact CD1-CG1 3.82Å
15	G	97.1	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	177.4	174.8	0	0	0	0	0	114.6	V85 H86 C87 G90	G15-V85 PolarHBondContact N-O 3.36Å; G15-V85 VanDerWaalsContact N-O 3.12Å; G15-H86 VanDerWaalsContact O-CA 3.23Å; G15-H86 WeakPolarHBondContact O-CA 3.49Å; G15-H86 VanDerWaalsContact O-CB 3.25Å; G15-H86 WeakPolarHBondContact O-CB 3.48Å; G15-C87 PolarHBondContact O-N 2.78Å; G15-G90 WeakPolarHBondContact O-CA 3.23Å; G15-G90 PolarHBondContact O-N 3.12Å
16	G	95.3	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.			trans	-95.2	-177.6	165.7	0	0	0	0	0	111.4	A18 S19 A20 C87	G16-A18 PolarHBondContact O-N 3.16Å; G16-S19 PolarHBondContact N-OG 3.01Å; G16-S19 PolarHBondContact O-N 3.44Å; G16-S19 VanDerWaalsContact O-N 3.12Å; G16-A20 PolarHBondContact O-N 2.96Å; G16-A20 VanDerWaalsContact O-N 3.15Å; G16-C87 CarbonylContact C-O 3.58Å
17	V	94.6	Very high	96.4	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.109	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-34.9	175.7	161.7	0	0	0	0	112.4	S19 A20 Q21 L38 Y40 C87 A88	V17-S19 VanDerWaalsContact C-N 3.29Å; V17-S19 PolarHBondContact O-N 3.21Å; V17-A20 PolarHBondContact O-N 2.92Å; V17-A20 VanDerWaalsContact O-N 3.17Å; V17-Q21 HydrophobicContact CG1-CG 4.21Å; V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.2Å; V17-L38 HydrophobicContact CG2-CD1 4Å; V17-L38 HydrophobicContact CG2-CD2 4.15Å; V17-Y40 WeakPolarHBondContact CG2-OH 3.38Å; V17-C87 WeakPolarHBondContact CG2-O 3.45Å; V17-C87 PolarHBondContact N-O 3.35Å; V17-C87 VanDerWaalsContact N-O 3.12Å; V17-A88 PolarHBondContact N-O 2.93Å
18	A	93.6	Very high	96.3	Very high	47 Å²	47	40.6 Å²	40.6	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-58.8	-40.9	175.4	0	0	0	0	0	112.3	G16 Q21 S22	G16-A18 PolarHBondContact O-N 3.16Å; A18-Q21 PolarHBondContact O-N 2.91Å; A18-S22 WeakPolarHBondContact O-CB 3.47Å; A18-S22 PolarHBondContact O-N 3.46Å
19	S	93.7	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-40	176.8	-28.4	0	0	0	0	111.1	G3 G16 V17 Q21 S22	G3-S19 PolarHBondContact O-OG 2.74Å; G16-S19 PolarHBondContact N-OG 3.01Å; G16-S19 PolarHBondContact O-N 3.44Å; G16-S19 VanDerWaalsContact O-N 3.12Å; V17-S19 VanDerWaalsContact C-N 3.29Å; V17-S19 PolarHBondContact O-N 3.21Å; S19-Q21 VanDerWaalsContact C-N 3.3Å; S19-Q21 PolarHBondContact O-N 3.4Å; S19-S22 PolarHBondContact O-N 2.99Å
20	A	94.9	Very high	96.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-23.3	178.4	0	0	0	0	0	113.9	G16 V17 L26 F42 L84 H86	G16-A20 PolarHBondContact O-N 2.96Å; G16-A20 VanDerWaalsContact O-N 3.15Å; V17-A20 PolarHBondContact O-N 2.92Å; V17-A20 VanDerWaalsContact O-N 3.17Å; A20-L26 WeakPolarHBondContact O-CD1 3.36Å; A20-F42 HydrophobicContact CB-CE1 3.92Å; A20-F42 HydrophobicContact CB-CE2 4.15Å; A20-F42 HydrophobicContact CB-CZ 3.45Å; A20-F42 VanDerWaalsContact CB-CZ 3.45Å; A20-F42 WeakPolarHBondContact O-CZ 3.5Å; A20-L84 HydrophobicContact CB-CD2 3.78Å; A20-H86 HydrophobicContact CB-CB 4.38Å
21	Q	94.3	Very high	96.2	Very high	138 Å²	138	42.3 Å²	42.3	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-90.2	-13.9	174.9	-70.1	177	-38.9	0	0	113.1	V17 A18 S19 K23 F42	V17-Q21 HydrophobicContact CG1-CG 4.21Å; V17-Q21 WeakPolarHBondContact O-CG 3.37Å; V17-Q21 PolarHBondContact O-N 3.2Å; A18-Q21 PolarHBondContact O-N 2.91Å; S19-Q21 VanDerWaalsContact C-N 3.3Å; S19-Q21 PolarHBondContact O-N 3.4Å; Q21-K23 PolarHBondContact O-N 3.39Å; Q21-F42 HydrophobicContact CG-CE2 3.86Å; Q21-F42 HydrophobicContact CG-CZ 4.31Å
22	S	94.7	Very high	96.2	Very high	33 Å²	33	44.3 Å²	44.3	23%	0.231	24%	0.243	C	C	.	.			trans	-81.1	99.3	-176.8	-177.2	0	0	0	0	110.9	A18 S19 S24 Q25 L26	A18-S22 WeakPolarHBondContact O-CB 3.47Å; A18-S22 PolarHBondContact O-N 3.46Å; S19-S22 PolarHBondContact O-N 2.99Å; S22-S24 PolarHBondContact O-N 3.42Å; S22-Q25 PolarHBondContact O-N 3.17Å; S22-Q25 WeakPolarHBondContact OG-CG 3.41Å; S22-Q25 PolarHBondContact OG-N 3.07Å; S22-Q25 PolarHBondContact OG-NE2 2.68Å; S22-L26 VanDerWaalsContact O-CG 3.3Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.07Å
23	K	94.8	Very high	96.2	Very high	141 Å²	141	45.6 Å²	45.6	61%	0.613	25%	0.249	S	C	*	.	H	α-helix	trans	-51.6	-45.1	176.2	-177	177.4	173.5	-177.3	0	112.1	Q21 L26 E27	Q21-K23 PolarHBondContact O-N 3.39Å; K23-L26 PolarHBondContact O-N 3.35Å; K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 HydrophobicContact CG-CG 4.39Å; K23-E27 IonicContact NZ-OE1 3.79Å; K23-E27 WeakPolarHBondContact O-CB 3.43Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 2.69Å
24	S	95.2	Very high	96.2	Very high	77 Å²	77	44.6 Å²	44.6	54%	0.538	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-50	178.3	166.3	0	0	0	0	112.2	S22 L26 E27 E28	S22-S24 PolarHBondContact O-N 3.42Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.37Å; S24-E27 PolarHBondContact O-N 3.35Å; S24-E28 VanDerWaalsContact O-CB 3.25Å; S24-E28 WeakPolarHBondContact O-CB 3.26Å; S24-E28 PolarHBondContact O-N 2.63Å
25	Q	95.9	Very high	96.2	Very high	35 Å²	35	44.6 Å²	44.6	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-38.1	178.3	-69.5	-179.7	68.2	0	0	112.3	M5 S22 E27 N29	M5-Q25 HydrophobicContact CE-CB 3.58Å; M5-Q25 HydrophobicContact SD-CB 4.47Å; S22-Q25 PolarHBondContact O-N 3.17Å; S22-Q25 WeakPolarHBondContact OG-CG 3.41Å; S22-Q25 PolarHBondContact OG-N 3.07Å; S22-Q25 PolarHBondContact OG-NE2 2.68Å; Q25-E27 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.27Å; Q25-N29 WeakPolarHBondContact O-CB 3.44Å; Q25-N29 PolarHBondContact O-N 2.94Å; Q25-N29 VanDerWaalsContact O-N 3.09Å; Q25-N29 PolarHBondContact O-ND2 3.2Å
26	L	97	Very high	96.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-34.7	178.8	-66.6	172.2	0	0	0	112.5	M5 A20 S22 K23 S24 G30 I31 C44 R47 L84	M5-L26 HydrophobicContact CE-CD2 4.14Å; A20-L26 WeakPolarHBondContact O-CD1 3.36Å; S22-L26 VanDerWaalsContact O-CG 3.3Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.07Å; K23-L26 PolarHBondContact O-N 3.35Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.37Å; L26-G30 PolarHBondContact O-N 3.33Å; L26-I31 HydrophobicContact CB-CB 4.41Å; L26-I31 HydrophobicContact CD2-CB 3.92Å; L26-I31 HydrophobicContact CD2-CG1 4.04Å; L26-I31 HydrophobicContact CD2-CG2 3.89Å; L26-I31 PolarHBondContact O-N 3.4Å; L26-C44 VanDerWaalsContact CD1-SG 3.55Å; L26-R47 VanDerWaalsContact CB-NH2 3.35Å; L26-R47 PolarHBondContact O-NH2 2.83Å; L26-L84 HydrophobicContact CD2-CD2 3.91Å
27	E	96.4	Very high	96.4	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-76.8	-48.2	177.1	-73.4	172.7	168	0	0	111.3	K23 S24 Q25 N29 G30	K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 HydrophobicContact CG-CG 4.39Å; K23-E27 IonicContact NZ-OE1 3.79Å; K23-E27 WeakPolarHBondContact O-CB 3.43Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 2.69Å; S24-E27 PolarHBondContact O-N 3.35Å; Q25-E27 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.27Å; E27-N29 VanDerWaalsContact C-N 3.28Å; E27-N29 PolarHBondContact O-N 2.95Å; E27-G30 PolarHBondContact O-N 3.41Å
28	E	96.6	Very high	96.4	Very high	153 Å²	153	43.9 Å²	43.9	72%	0.715	24%	0.241	S	C	*	.	H	α-helix	trans	-57.9	-39.6	179.5	-176.3	-179.2	-173.7	0	0	112.3	S24 G30	S24-E28 VanDerWaalsContact O-CB 3.25Å; S24-E28 WeakPolarHBondContact O-CB 3.26Å; S24-E28 PolarHBondContact O-N 2.63Å; E28-G30 VanDerWaalsContact C-N 3.34Å
29	N	97	Very high	96	Very high	44 Å²	44	46.8 Å²	46.8	24%	0.235	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.3	179.6	-64.9	-79.3	0	0	0	113.5	M5 Y13 Q25 E27 I31	M5-N29 HydrophobicContact SD-CB 3.98Å; Y13-N29 HydrophobicContact CE1-CB 3.94Å; Y13-N29 VanDerWaalsContact CE1-OD1 3.3Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.46Å; Y13-N29 HydrophobicContact CE2-CB 4.44Å; Q25-N29 WeakPolarHBondContact O-CB 3.44Å; Q25-N29 PolarHBondContact O-N 2.94Å; Q25-N29 VanDerWaalsContact O-N 3.09Å; Q25-N29 PolarHBondContact O-ND2 3.2Å; E27-N29 VanDerWaalsContact C-N 3.28Å; E27-N29 PolarHBondContact O-N 2.95Å; N29-I31 VanDerWaalsContact C-N 3.25Å; N29-I31 HydrophobicContact CB-CD1 4.03Å; N29-I31 HydrophobicContact CB-CG1 4.06Å; N29-I31 PolarHBondContact O-N 3.19Å
30	G	97.3	Very high	95.7	Very high	43 Å²	43	52.2 Å²	52.2	44%	0.443	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	30	177.5	0	0	0	0	0	114.2	L26 E27 E28 T32 A82	L26-G30 PolarHBondContact O-N 3.33Å; E27-G30 PolarHBondContact O-N 3.41Å; E28-G30 VanDerWaalsContact C-N 3.34Å; G30-T32 PolarHBondContact O-N 3.36Å; G30-A82 WeakPolarHBondContact O-CB 3.48Å
31	I	98.4	Very high	95.4	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119	-175.1	-56.8	-58.6	0	0	0	109.6	M5 Y13 L26 N29 H33 V34 R47 A82 L84	M5-I31 HydrophobicContact SD-CD1 4.12Å; M5-I31 HydrophobicContact SD-CG1 4.05Å; Y13-I31 HydrophobicContact CD2-CD1 3.56Å; Y13-I31 HydrophobicContact CE2-CD1 3.98Å; Y13-I31 HydrophobicContact CG-CD1 4.02Å; L26-I31 HydrophobicContact CB-CB 4.41Å; L26-I31 HydrophobicContact CD2-CB 3.92Å; L26-I31 HydrophobicContact CD2-CG1 4.04Å; L26-I31 HydrophobicContact CD2-CG2 3.89Å; L26-I31 PolarHBondContact O-N 3.4Å; N29-I31 VanDerWaalsContact C-N 3.25Å; N29-I31 HydrophobicContact CB-CD1 4.03Å; N29-I31 HydrophobicContact CB-CG1 4.06Å; N29-I31 PolarHBondContact O-N 3.19Å; I31-H33 VanDerWaalsContact CG2-O 3.24Å; I31-H33 WeakPolarHBondContact CG2-O 3.21Å; I31-V34 HydrophobicContact CG2-CG2 4.11Å; I31-R47 WeakPolarHBondContact O-CD 3.38Å; I31-R47 PolarHBondContact O-NE 2.86Å; I31-A82 HydrophobicContact CD1-CB 4.05Å; I31-L84 HydrophobicContact CD1-CB 4.27Å; I31-L84 HydrophobicContact CG1-CB 4.48Å; I31-L84 HydrophobicContact CG2-CB 3.88Å
32	T	98.4	Very high	95.2	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.374	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-21.5	176.4	55	0	0	0	0	112.4	G30 R47 K48 G81 A82	G30-T32 PolarHBondContact O-N 3.36Å; T32-R47 WeakPolarHBondContact O-CA 3.47Å; T32-R47 WeakPolarHBondContact O-CB 3.49Å; T32-K48 PolarHBondContact O-N 3.4Å; T32-G81 VanDerWaalsContact OG1-CA 3.3Å; T32-G81 WeakPolarHBondContact OG1-CA 3.32Å; T32-A82 PolarHBondContact N-O 3.1Å; T32-A82 PolarHBondContact OG1-N 2.88Å; T32-A82 PolarHBondContact OG1-O 3.33Å
33	H	98.6	Very high	95	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.8	-175.2	-68.7	70.7	0	0	0	111.1	I31 K48 F72 A76 A82 V83 L84	I31-H33 VanDerWaalsContact CG2-O 3.24Å; I31-H33 WeakPolarHBondContact CG2-O 3.21Å; H33-K48 CarbonylContact C-O 3.57Å; H33-K48 WeakPolarHBondContact CA-O 3.31Å; H33-K48 VanDerWaalsContact NE2-CD 3.31Å; H33-K48 WeakPolarHBondContact NE2-CD 3.49Å; H33-F72 HydrophobicContact CB-CE1 3.86Å; H33-F72 HydrophobicContact CB-CZ 3.82Å; H33-F72 AromaticContact CD2-CE2 3.95Å; H33-F72 AromaticContact CD2-CZ 3.79Å; H33-A76 HydrophobicContact CB-CB 4.07Å; H33-A76 VanDerWaalsContact CG-CB 3.46Å; H33-A76 WeakPolarHBondContact ND1-CB 3.21Å; H33-A82 PolarHBondContact N-O 3.03Å; H33-V83 HydrophobicContact CB-CB 4.28Å; H33-V83 HydrophobicContact CB-CG1 4.06Å; H33-V83 HydrophobicContact CB-CG2 3.96Å; H33-V83 WeakPolarHBondContact O-CA 3.2Å; H33-L84 PolarHBondContact O-N 2.77Å
34	V	98.3	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.6	176.9	-176.3	0	0	0	0	110.1	I31 F42 C44 R47 K48 Q49 L50 L84 H86	I31-V34 HydrophobicContact CG2-CG2 4.11Å; V34-F42 HydrophobicContact CG1-CD1 4.5Å; V34-F42 HydrophobicContact CG1-CE1 4.14Å; V34-C44 HydrophobicContact CG2-CB 4.19Å; V34-R47 HydrophobicContact CG2-CB 4.32Å; V34-K48 PolarHBondContact N-O 3.4Å; V34-Q49 HydrophobicContact CB-CG 4.33Å; V34-Q49 WeakPolarHBondContact O-CA 3.42Å; V34-L50 PolarHBondContact O-N 3.03Å; V34-L84 WeakPolarHBondContact CA-O 3.45Å; V34-H86 VanDerWaalsContact CG1-CD2 3.47Å; V34-H86 WeakPolarHBondContact CG1-CD2 3.33Å
35	C	98.5	Very high	94.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.9	172.1	-178.9	0	0	0	0	109	L50 F72 L84 V85 H86	C35-L50 CarbonylContact C-O 3.54Å; C35-L50 WeakPolarHBondContact CA-O 3.34Å; C35-F72 HydrophobicContact CB-CD1 4.08Å; C35-F72 HydrophobicContact CB-CE1 3.95Å; C35-L84 PolarHBondContact N-O 3.04Å; C35-V85 HydrophobicContact CB-CG1 4.38Å; C35-V85 HydrophobicContact CB-CG2 4.19Å; C35-V85 WeakPolarHBondContact O-CA 3.26Å; C35-H86 PolarHBondContact O-N 2.71Å
36	S	98.2	Very high	94.2	Very high	2 Å²	2	57 Å²	57	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.8	-177.6	-57.6	0	0	0	0	110.4	F42 L50 L52 H86	S36-F42 WeakPolarHBondContact OG-CD1 3.43Å; S36-L50 PolarHBondContact N-O 3.01Å; S36-L52 PolarHBondContact O-N 3.29Å; S36-H86 WeakPolarHBondContact CB-NE2 3.48Å; S36-H86 PolarHBondContact OG-NE2 3.28Å
37	V	98.1	Very high	94.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	81.9	176.1	-161.9	0	0	0	0	109.2	L52 A54 I62 V85 H86 C87 R93 I97	V37-L52 CarbonylContact C-O 3.58Å; V37-L52 WeakPolarHBondContact CA-O 3.42Å; V37-L52 HydrophobicContact CG1-CB 4.34Å; V37-L52 HydrophobicContact CG2-CD1 4.27Å; V37-A54 HydrophobicContact CG1-CB 3.99Å; V37-I62 HydrophobicContact CG1-CD1 4.26Å; V37-V85 HydrophobicContact CG2-CG1 4.3Å; V37-H86 PolarHBondContact N-O 2.95Å; V37-C87 HydrophobicContact CB-CB 4.31Å; V37-C87 WeakPolarHBondContact O-CA 3.45Å; V37-C87 VanDerWaalsContact O-CB 3.23Å; V37-C87 WeakPolarHBondContact O-CB 3.47Å; V37-R93 HydrophobicContact CB-CB 4.07Å; V37-R93 HydrophobicContact CG1-CB 3.72Å; V37-R93 HydrophobicContact CG1-CG 4.2Å; V37-I97 HydrophobicContact CG1-CG1 4.44Å; V37-I97 HydrophobicContact CG2-CB 4.47Å; V37-I97 HydrophobicContact CG2-CG1 3.78Å
38	L	93.8	Very high	94.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.305	C	S	.	.			trans	-151.7	150.5	-165.4	-61	170.8	0	0	0	110.6	V17 Y40 F42 L52 R53 C87 A88	V17-L38 HydrophobicContact CG2-CD1 4Å; V17-L38 HydrophobicContact CG2-CD2 4.15Å; L38-Y40 HydrophobicContact CB-CD1 4.47Å; L38-Y40 HydrophobicContact CB-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE2 3.85Å; L38-Y40 HydrophobicContact CD2-CE1 4.04Å; L38-F42 HydrophobicContact CD1-CB 4.1Å; L38-F42 HydrophobicContact CD1-CG 4.46Å; L38-L52 PolarHBondContact N-O 3.49Å; L38-R53 WeakPolarHBondContact O-CA 3.3Å; L38-C87 HydrophobicContact CD2-CB 4.4Å; L38-A88 HydrophobicContact CD2-CB 4.28Å
39	H	86.8	Confident	94.3	Very high	109 Å²	109	54.2 Å²	54.2	51%	0.505	29%	0.286	S	S	.	.	S	Bend	trans	-78.2	-28.4	174.4	-159.9	95.3	0	0	0	113.3	R53 D55	H39-R53 PolarHBondContact O-NH1 3.5Å; H39-D55 IonicContact ND1-OD2 3.53Å
40	Y	86.7	Confident	94.3	Very high	114 Å²	114	53.9 Å²	53.9	45%	0.447	29%	0.285	S	S	.	.	S	Bend	trans	-92.2	158.4	-178.8	59.7	-93.9	0	0	0	112.7	V17 L38 F42	V17-Y40 WeakPolarHBondContact CG2-OH 3.38Å; L38-Y40 HydrophobicContact CB-CD1 4.47Å; L38-Y40 HydrophobicContact CB-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE2 3.85Å; L38-Y40 HydrophobicContact CD2-CE1 4.04Å; Y40-F42 PolarHBondContact O-N 2.9Å
41	N	88.3	Confident	94.3	Very high	113 Å²	113	54.7 Å²	54.7	60%	0.604	28%	0.278	S	S	*	.			trans	-68.4	120.8	177	-71.1	-13.4	0	0	0	110.1	R53	N41-R53 PolarHBondContact OD1-NH1 3.17Å; N41-R53 PolarHBondContact OD1-NH2 2.83Å
42	F	91.1	Very high	94.3	Very high	18 Å²	18	54.6 Å²	54.6	8%	0.079	28%	0.278	C	S	.	.			trans	-107.4	142.4	170.3	-174	-99.8	0	0	0	109.4	A20 Q21 V34 S36 L38 Y40 C44 H86	A20-F42 HydrophobicContact CB-CE1 3.92Å; A20-F42 HydrophobicContact CB-CE2 4.15Å; A20-F42 HydrophobicContact CB-CZ 3.45Å; A20-F42 VanDerWaalsContact CB-CZ 3.45Å; A20-F42 WeakPolarHBondContact O-CZ 3.5Å; Q21-F42 HydrophobicContact CG-CE2 3.86Å; Q21-F42 HydrophobicContact CG-CZ 4.31Å; V34-F42 HydrophobicContact CG1-CD1 4.5Å; V34-F42 HydrophobicContact CG1-CE1 4.14Å; S36-F42 WeakPolarHBondContact OG-CD1 3.43Å; L38-F42 HydrophobicContact CD1-CB 4.1Å; L38-F42 HydrophobicContact CD1-CG 4.46Å; Y40-F42 PolarHBondContact O-N 2.9Å; F42-C44 HydrophobicContact CE1-CB 3.83Å; F42-H86 AromaticContact CD1-CE1 3.85Å; F42-H86 AromaticContact CD1-NE2 3.55Å; F42-H86 AromaticContact CE1-CE1 3.92Å; F42-H86 AromaticContact CE1-NE2 3.6Å; F42-H86 AromaticContact CG-CE1 3.91Å
43	K	90.8	Very high	94.3	Very high	169 Å²	169	56.7 Å²	56.7	74%	0.735	28%	0.279	S	S	*	.			trans	-132.9	125.7	176.1	-69.5	-65.6	-176.2	-178	0	109.7
44	C	90.4	Very high	94.1	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.061	27%	0.273	C	S	.	.			trans	-123.1	94.9	170.3	-163	0	0	0	0	108.7	L26 V34 F42 Q49	L26-C44 VanDerWaalsContact CD1-SG 3.55Å; V34-C44 HydrophobicContact CG2-CB 4.19Å; F42-C44 HydrophobicContact CE1-CB 3.83Å; C44-Q49 PolarHBondContact O-NE2 3.41Å
45	P	87.9	Confident	94	Very high	101 Å²	101	57.8 Å²	57.8	66%	0.656	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	155.9	178	-25	34.8	0	0	0	112.2	R47	P45-R47 PolarHBondContact O-N 2.88Å
46	S	90.6	Very high	93.9	Very high	116 Å²	116	60 Å²	60	81%	0.811	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	9.3	-179.4	81.6	0	0	0	0	117.4
47	R	96	Very high	93.8	Very high	42 Å²	42	63.6 Å²	63.6	16%	0.158	32%	0.317	C	S	.	.	S	Bend	trans	-128.5	147.7	178.7	-68.9	172.2	178.7	75.1	4.1	111.2	L26 I31 T32 V34 P45	L26-R47 VanDerWaalsContact CB-NH2 3.35Å; L26-R47 PolarHBondContact O-NH2 2.83Å; I31-R47 WeakPolarHBondContact O-CD 3.38Å; I31-R47 PolarHBondContact O-NE 2.86Å; T32-R47 WeakPolarHBondContact O-CA 3.47Å; T32-R47 WeakPolarHBondContact O-CB 3.49Å; V34-R47 HydrophobicContact CG2-CB 4.32Å; P45-R47 PolarHBondContact O-N 2.88Å
48	K	97.4	Very high	93.7	Very high	95 Å²	95	66.3 Å²	66.3	41%	0.413	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.8	171.4	-161.2	-175.2	-172.1	178.3	0	108.4	T32 H33 V34 F72 E75	T32-K48 PolarHBondContact O-N 3.4Å; H33-K48 CarbonylContact C-O 3.57Å; H33-K48 WeakPolarHBondContact CA-O 3.31Å; H33-K48 VanDerWaalsContact NE2-CD 3.31Å; H33-K48 WeakPolarHBondContact NE2-CD 3.49Å; V34-K48 PolarHBondContact N-O 3.4Å; K48-F72 HydrophobicContact CB-CE2 4.46Å; K48-F72 HydrophobicContact CD-CE2 4.11Å; K48-F72 HydrophobicContact CG-CE2 4Å; K48-E75 IonicContact NZ-OE1 2.78Å; K48-E75 PolarHBondContact NZ-OE1 2.72Å; K48-E75 IonicContact NZ-OE2 2.65Å; K48-E75 PolarHBondContact NZ-OE2 3.37Å
49	Q	97.4	Very high	93.8	Very high	69 Å²	69	75.2 Å²	75.2	32%	0.322	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.9	-170.9	-75.3	170.6	89.1	0	0	112.2	V34 C44	V34-Q49 HydrophobicContact CB-CG 4.33Å; V34-Q49 WeakPolarHBondContact O-CA 3.42Å; C44-Q49 PolarHBondContact O-NE2 3.41Å
50	L	97.7	Very high	94.3	Very high	38 Å²	38	72 Å²	72	20%	0.199	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.8	168.2	176.5	63.1	0	0	0	108.5	V34 C35 S36 L52 F72	V34-L50 PolarHBondContact O-N 3.03Å; C35-L50 CarbonylContact C-O 3.54Å; C35-L50 WeakPolarHBondContact CA-O 3.34Å; S36-L50 PolarHBondContact N-O 3.01Å; L50-L52 HydrophobicContact CD1-CD2 4Å; L50-L52 HydrophobicContact CD2-CD1 4.36Å; L50-L52 HydrophobicContact CD2-CD2 3.97Å; L50-L52 HydrophobicContact CD2-CG 4.29Å; L50-L52 HydrophobicContact CG-CD2 3.83Å; L50-L52 HydrophobicContact CG-CG 4.11Å; L50-F72 HydrophobicContact CB-CD1 3.99Å; L50-F72 HydrophobicContact CB-CD2 3.71Å; L50-F72 HydrophobicContact CB-CE1 4.04Å; L50-F72 HydrophobicContact CB-CE2 3.75Å; L50-F72 HydrophobicContact CB-CG 3.81Å; L50-F72 HydrophobicContact CB-CZ 3.92Å; L50-F72 HydrophobicContact CD2-CB 3.55Å; L50-F72 HydrophobicContact CD2-CD1 4.13Å; L50-F72 HydrophobicContact CD2-CD2 4.27Å; L50-F72 HydrophobicContact CD2-CG 3.74Å; L50-F72 HydrophobicContact CG-CG 4.42Å
51	L	97.7	Very high	94.8	Very high	59 Å²	59	70.6 Å²	70.6	31%	0.309	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.7	176.9	177.7	64.2	0	0	0	109.8
52	L	98	Very high	95.3	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.2	178.3	-53.8	176.3	0	0	0	108.4	S36 V37 L38 L50 A54 Y65 A69 I97	S36-L52 PolarHBondContact O-N 3.29Å; V37-L52 CarbonylContact C-O 3.58Å; V37-L52 WeakPolarHBondContact CA-O 3.42Å; V37-L52 HydrophobicContact CG1-CB 4.34Å; V37-L52 HydrophobicContact CG2-CD1 4.27Å; L38-L52 PolarHBondContact N-O 3.49Å; L50-L52 HydrophobicContact CD1-CD2 4Å; L50-L52 HydrophobicContact CD2-CD1 4.36Å; L50-L52 HydrophobicContact CD2-CD2 3.97Å; L50-L52 HydrophobicContact CD2-CG 4.29Å; L50-L52 HydrophobicContact CG-CD2 3.83Å; L50-L52 HydrophobicContact CG-CG 4.11Å; L52-A54 PolarHBondContact O-N 3.13Å; L52-Y65 HydrophobicContact CB-CD1 4.3Å; L52-Y65 HydrophobicContact CB-CD2 4.08Å; L52-Y65 HydrophobicContact CB-CE2 4.34Å; L52-Y65 HydrophobicContact CB-CG 4.05Å; L52-Y65 HydrophobicContact CD1-CG 4.43Å; L52-Y65 HydrophobicContact CD2-CD1 3.65Å; L52-Y65 HydrophobicContact CD2-CE1 4.24Å; L52-Y65 HydrophobicContact CD2-CG 3.95Å; L52-Y65 HydrophobicContact CG-CD1 4.47Å; L52-Y65 HydrophobicContact CG-CG 4.36Å; L52-A69 HydrophobicContact CD1-CB 3.84Å; L52-I97 HydrophobicContact CD1-CD1 4.22Å; L52-I97 HydrophobicContact CD1-CG1 4.4Å
53	R	97.3	Very high	95.6	Very high	106 Å²	106	66 Å²	66	40%	0.4	34%	0.34	S	S	.	.			trans	-85.1	96.2	-175.3	-65.3	-171.5	-172.1	-81.2	-2.8	110.7	L38 H39 N41 Y65	L38-R53 WeakPolarHBondContact O-CA 3.3Å; H39-R53 PolarHBondContact O-NH1 3.5Å; N41-R53 PolarHBondContact OD1-NH1 3.17Å; N41-R53 PolarHBondContact OD1-NH2 2.83Å; R53-Y65 PolarHBondContact N-OH 3.29Å; R53-Y65 WeakPolarHBondContact O-CE2 3.48Å; R53-Y65 PolarHBondContact O-OH 2.98Å
54	A	96.1	Very high	96	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.326	C	S	.	.			trans	-138.3	138.5	176.1	0	0	0	0	0	111.1	V37 L52 E60 I62 Y65 R93	V37-A54 HydrophobicContact CG1-CB 3.99Å; L52-A54 PolarHBondContact O-N 3.13Å; A54-E60 HydrophobicContact CB-CG 3.86Å; A54-I62 HydrophobicContact CB-CG1 4.49Å; A54-Y65 HydrophobicContact CB-CE2 4.15Å; A54-R93 WeakPolarHBondContact O-CD 3.48Å; A54-R93 PolarHBondContact O-NH1 3.26Å
55	D	95.5	Very high	96.4	Very high	50 Å²	50	64.2 Å²	64.2	27%	0.267	33%	0.331	S	S	.	.			trans	-86.4	160.9	167.6	-72.5	-46.7	0	0	0	111.3	H39 D57 F130	H39-D55 IonicContact ND1-OD2 3.53Å; D55-D57 PolarHBondContact O-N 2.92Å; D55-D57 VanDerWaalsContact O-N 3.17Å; D55-F130 WeakPolarHBondContact O-CZ 3.49Å
56	D	96.1	Very high	96.9	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	30%	0.3	C	S	.	.	S	Bend	trans	-89.8	64.2	178.3	-159.5	2.7	0	0	0	110	S92 R93 N127	D56-S92 WeakPolarHBondContact OD1-CB 3.43Å; D56-S92 PolarHBondContact OD1-OG 3.4Å; D56-S92 VanDerWaalsContact OD2-CB 3.32Å; D56-S92 WeakPolarHBondContact OD2-CB 3.38Å; D56-R93 HydrophobicContact CB-CG 4.32Å; D56-N127 PolarHBondContact OD1-ND2 2.88Å; D56-N127 VanDerWaalsContact OD1-ND2 3.1Å
57	D	96	Very high	97.3	Very high	78 Å²	78	59.2 Å²	59.2	42%	0.417	28%	0.281	S	S	.	.			trans	-123.8	138.6	-178.6	-167.7	-60.1	0	0	0	109.1	D55 K59 E60 F130	D55-D57 PolarHBondContact O-N 2.92Å; D55-D57 VanDerWaalsContact O-N 3.17Å; D57-K59 PolarHBondContact O-N 2.96Å; D57-K59 VanDerWaalsContact O-N 3.11Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.21Å; D57-E60 HydrophobicContact CB-CB 4.45Å; D57-E60 WeakPolarHBondContact O-CB 2.99Å; D57-E60 PolarHBondContact O-N 3.35Å; D57-F130 VanDerWaalsContact O-CE1 3.3Å; D57-F130 WeakPolarHBondContact O-CE1 3.37Å
58	S	95.4	Very high	97.4	Very high	57 Å²	57	60.6 Å²	60.6	40%	0.399	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.7	176	52.3	0	0	0	0	114.2	N127 G129	S58-N127 WeakPolarHBondContact CA-OD1 3.48Å; S58-G129 WeakPolarHBondContact O-CA 3.01Å
59	K	96.8	Very high	97.5	Very high	187 Å²	187	56.1 Å²	56.1	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.6	178.6	-59.2	178.3	-177.3	179.8	0	113.1	D57 N61	D57-K59 PolarHBondContact O-N 2.96Å; D57-K59 VanDerWaalsContact O-N 3.11Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.21Å; K59-N61 PolarHBondContact O-N 3.41Å
60	E	97.2	Very high	97.5	Very high	41 Å²	41	52.9 Å²	52.9	19%	0.192	26%	0.258	C	S	.	.	S	Bend	trans	-70.9	124	178.5	179.1	63.9	-150.3	0	0	109.7	A54 D57 I62 K64 F130 Q133	A54-E60 HydrophobicContact CB-CG 3.86Å; D57-E60 HydrophobicContact CB-CB 4.45Å; D57-E60 WeakPolarHBondContact O-CB 2.99Å; D57-E60 PolarHBondContact O-N 3.35Å; E60-I62 PolarHBondContact O-N 3.48Å; E60-K64 IonicContact OE1-NZ 2.73Å; E60-K64 PolarHBondContact OE1-NZ 2.87Å; E60-F130 HydrophobicContact CB-CE1 4.01Å; E60-F130 HydrophobicContact CB-CZ 4.32Å; E60-F130 HydrophobicContact CG-CE1 4.49Å; E60-F130 WeakPolarHBondContact O-CE1 3.37Å; E60-Q133 PolarHBondContact O-NE2 3.31Å
61	N	98	Very high	97.6	Very high	85 Å²	85	52.4 Å²	52.4	46%	0.455	26%	0.255	S	S	.	.			trans	-75.2	92.3	170.8	178.7	-5.5	0	0	0	108.9	K59 A63 K64	K59-N61 PolarHBondContact O-N 3.41Å; N61-A63 PolarHBondContact OD1-N 3.13Å; N61-K64 HydrophobicContact CB-CD 4.46Å; N61-K64 WeakPolarHBondContact O-CD 3.46Å; N61-K64 WeakPolarHBondContact O-CE 3.29Å; N61-K64 VanDerWaalsContact O-CG 3.26Å; N61-K64 WeakPolarHBondContact O-CG 3.2Å; N61-K64 PolarHBondContact O-NZ 3.45Å; N61-K64 PolarHBondContact OD1-N 3.25Å
62	I	98.3	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.			trans	-85.2	-24	174.8	-164.9	167.1	0	0	0	111.6	V37 A54 E60 K64 Y65 F66 R93 T96 I97 F130	V37-I62 HydrophobicContact CG1-CD1 4.26Å; A54-I62 HydrophobicContact CB-CG1 4.49Å; E60-I62 PolarHBondContact O-N 3.48Å; I62-K64 PolarHBondContact O-N 2.94Å; I62-Y65 WeakPolarHBondContact O-CB 3.31Å; I62-Y65 PolarHBondContact O-N 3.17Å; I62-F66 HydrophobicContact CG2-CE1 4.16Å; I62-F66 HydrophobicContact CG2-CZ 4.29Å; I62-R93 HydrophobicContact CD1-CB 4.2Å; I62-R93 HydrophobicContact CD1-CG 4.19Å; I62-T96 HydrophobicContact CD1-CG2 4.28Å; I62-T96 HydrophobicContact CG2-CG2 3.87Å; I62-I97 HydrophobicContact CD1-CD1 4.31Å; I62-I97 HydrophobicContact CD1-CG1 4.3Å; I62-I97 HydrophobicContact CG1-CD1 4Å; I62-F130 HydrophobicContact CB-CD1 4.11Å; I62-F130 HydrophobicContact CB-CE1 3.83Å; I62-F130 HydrophobicContact CB-CZ 4.19Å; I62-F130 HydrophobicContact CD1-CD2 4.22Å; I62-F130 HydrophobicContact CD1-CE1 4.39Å; I62-F130 HydrophobicContact CD1-CE2 3.88Å; I62-F130 HydrophobicContact CD1-CZ 3.96Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.42Å; I62-F130 VanDerWaalsContact CG2-CD1 3.42Å; I62-F130 HydrophobicContact CG2-CD2 4.46Å; I62-F130 HydrophobicContact CG2-CE1 3.69Å; I62-F130 HydrophobicContact CG2-CG 3.86Å; I62-F130 HydrophobicContact CG2-CZ 4.33Å
63	A	98.3	Very high	97.7	Very high	34 Å²	34	50.1 Å²	50.1	28%	0.281	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-58.5	-30.2	179	0	0	0	0	0	113.1	N61 Y65 F66 Q133	N61-A63 PolarHBondContact OD1-N 3.13Å; A63-Y65 PolarHBondContact O-N 3.23Å; A63-F66 HydrophobicContact CB-CD2 3.98Å; A63-F66 HydrophobicContact CB-CE2 3.75Å; A63-F66 HydrophobicContact CB-CZ 4.12Å; A63-F66 WeakPolarHBondContact O-CB 3.44Å; A63-F66 WeakPolarHBondContact O-CG 3.31Å; A63-F66 PolarHBondContact O-N 2.96Å; A63-Q133 HydrophobicContact CB-CB 4.28Å; A63-Q133 HydrophobicContact CB-CG 4.38Å
64	K	98.1	Very high	97.7	Very high	98 Å²	98	45.4 Å²	45.4	43%	0.426	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.5	-22.5	172.8	76.4	-166.5	175.5	-150.2	0	113.7	E60 N61 I62	E60-K64 IonicContact OE1-NZ 2.73Å; E60-K64 PolarHBondContact OE1-NZ 2.87Å; N61-K64 HydrophobicContact CB-CD 4.46Å; N61-K64 WeakPolarHBondContact O-CD 3.46Å; N61-K64 WeakPolarHBondContact O-CE 3.29Å; N61-K64 VanDerWaalsContact O-CG 3.26Å; N61-K64 WeakPolarHBondContact O-CG 3.2Å; N61-K64 PolarHBondContact O-NZ 3.45Å; N61-K64 PolarHBondContact OD1-N 3.25Å; I62-K64 PolarHBondContact O-N 2.94Å
65	Y	98.6	Very high	97.8	Very high	44 Å²	44	47.7 Å²	47.7	17%	0.173	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-98.4	-5.6	-179.7	-62.3	-53.3	0	0	0	114.7	L52 R53 A54 I62 A63 R67 D68 A69	L52-Y65 HydrophobicContact CB-CD1 4.3Å; L52-Y65 HydrophobicContact CB-CD2 4.08Å; L52-Y65 HydrophobicContact CB-CE2 4.34Å; L52-Y65 HydrophobicContact CB-CG 4.05Å; L52-Y65 HydrophobicContact CD1-CG 4.43Å; L52-Y65 HydrophobicContact CD2-CD1 3.65Å; L52-Y65 HydrophobicContact CD2-CE1 4.24Å; L52-Y65 HydrophobicContact CD2-CG 3.95Å; L52-Y65 HydrophobicContact CG-CD1 4.47Å; L52-Y65 HydrophobicContact CG-CG 4.36Å; R53-Y65 PolarHBondContact N-OH 3.29Å; R53-Y65 WeakPolarHBondContact O-CE2 3.48Å; R53-Y65 PolarHBondContact O-OH 2.98Å; A54-Y65 HydrophobicContact CB-CE2 4.15Å; I62-Y65 WeakPolarHBondContact O-CB 3.31Å; I62-Y65 PolarHBondContact O-N 3.17Å; A63-Y65 PolarHBondContact O-N 3.23Å; Y65-R67 VanDerWaalsContact C-N 3.3Å; Y65-R67 PolarHBondContact O-N 3.48Å; Y65-D68 PolarHBondContact O-N 3.41Å; Y65-A69 WeakPolarHBondContact O-CB 3.46Å; Y65-A69 PolarHBondContact O-N 3.34Å
66	F	98.7	Very high	97.9	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-39	-174.9	-69.2	-8.7	0	0	0	112.7	I62 A63 S70 T96 I97 A100 L134 Y137	I62-F66 HydrophobicContact CG2-CE1 4.16Å; I62-F66 HydrophobicContact CG2-CZ 4.29Å; A63-F66 HydrophobicContact CB-CD2 3.98Å; A63-F66 HydrophobicContact CB-CE2 3.75Å; A63-F66 HydrophobicContact CB-CZ 4.12Å; A63-F66 WeakPolarHBondContact O-CB 3.44Å; A63-F66 WeakPolarHBondContact O-CG 3.31Å; A63-F66 PolarHBondContact O-N 2.96Å; F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.3Å; F66-T96 HydrophobicContact CE1-CG2 4.03Å; F66-T96 HydrophobicContact CZ-CG2 4.02Å; F66-I97 HydrophobicContact CD1-CD1 3.91Å; F66-I97 HydrophobicContact CE1-CD1 4.12Å; F66-A100 HydrophobicContact CB-CB 4.22Å; F66-A100 HydrophobicContact CD1-CB 3.55Å; F66-A100 HydrophobicContact CD2-CB 3.8Å; F66-A100 HydrophobicContact CE1-CB 3.72Å; F66-A100 HydrophobicContact CE2-CB 3.96Å; F66-A100 HydrophobicContact CG-CB 3.59Å; F66-A100 HydrophobicContact CZ-CB 3.92Å; F66-L134 HydrophobicContact CE2-CD2 4.13Å; F66-L134 HydrophobicContact CZ-CD2 3.86Å; F66-L134 HydrophobicContact CZ-CG 4.34Å; F66-Y137 HydrophobicContact CB-CE2 4.21Å; F66-Y137 AromaticContact CD2-CD1 3.97Å; F66-Y137 HydrophobicContact CD2-CD1 3.97Å; F66-Y137 AromaticContact CD2-CD2 3.59Å; F66-Y137 HydrophobicContact CD2-CD2 3.59Å; F66-Y137 HydrophobicContact CD2-CE1 4.26Å; F66-Y137 AromaticContact CD2-CE2 3.89Å; F66-Y137 HydrophobicContact CD2-CE2 3.89Å; F66-Y137 AromaticContact CD2-CG 3.62Å; F66-Y137 HydrophobicContact CD2-CG 3.62Å; F66-Y137 HydrophobicContact CE2-CD1 4.21Å; F66-Y137 HydrophobicContact CE2-CD2 4.23Å; F66-Y137 AromaticContact CE2-CG 3.85Å; F66-Y137 HydrophobicContact CE2-CG 3.85Å
67	R	98.4	Very high	98	Very high	108 Å²	108	43.6 Å²	43.6	41%	0.408	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-56.4	176.9	-175.2	-179.8	169	-88.7	8.9	112.2	Y65 A69 S70 L71 I146 E149	Y65-R67 VanDerWaalsContact C-N 3.3Å; Y65-R67 PolarHBondContact O-N 3.48Å; R67-A69 VanDerWaalsContact C-N 3.33Å; R67-A69 PolarHBondContact O-N 3.04Å; R67-S70 PolarHBondContact O-N 3.15Å; R67-S70 VanDerWaalsContact O-N 3.16Å; R67-L71 HydrophobicContact CG-CD1 4.1Å; R67-L71 PolarHBondContact O-N 3.1Å; R67-I146 HydrophobicContact CB-CD1 3.76Å; R67-I146 HydrophobicContact CB-CG1 4.21Å; R67-I146 HydrophobicContact CG-CD1 4.31Å; R67-I146 HydrophobicContact CG-CG1 4.21Å; R67-E149 IonicContact CZ-OE1 3.1Å; R67-E149 IonicContact CZ-OE2 3.66Å; R67-E149 VanDerWaalsContact NE-CD 3.34Å; R67-E149 IonicContact NE-OE1 3.09Å; R67-E149 PolarHBondContact NE-OE1 3.47Å; R67-E149 VanDerWaalsContact NE-OE1 3.09Å; R67-E149 IonicContact NE-OE2 2.8Å; R67-E149 PolarHBondContact NE-OE2 3.18Å; R67-E149 IonicContact NH2-OE1 2.58Å; R67-E149 PolarHBondContact NH2-OE1 3.46Å; R67-E149 IonicContact NH2-OE2 3.75Å
68	D	98.5	Very high	98.1	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-39	-175	-64.7	-11	0	0	0	111.8	Y65 F72	Y65-D68 PolarHBondContact O-N 3.41Å; D68-F72 WeakPolarHBondContact O-CB 3.41Å; D68-F72 PolarHBondContact O-N 3.07Å; D68-F72 VanDerWaalsContact O-N 3.08Å
69	A	98.8	Very high	98.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-43.2	173.7	0	0	0	0	0	111.7	L52 Y65 R67 F72 I73 I97	L52-A69 HydrophobicContact CD1-CB 3.84Å; Y65-A69 WeakPolarHBondContact O-CB 3.46Å; Y65-A69 PolarHBondContact O-N 3.34Å; R67-A69 VanDerWaalsContact C-N 3.33Å; R67-A69 PolarHBondContact O-N 3.04Å; A69-F72 PolarHBondContact O-N 3.38Å; A69-I73 WeakPolarHBondContact O-CB 3.44Å; A69-I73 WeakPolarHBondContact O-CD1 3.23Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 3.46Å; A69-I97 HydrophobicContact CB-CD1 4.29Å; A69-I97 HydrophobicContact CB-CG2 3.52Å
70	S	98.7	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-45.7	179.3	-65	0	0	0	0	111.6	F66 R67 F72 I73 H74	F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.3Å; R67-S70 PolarHBondContact O-N 3.15Å; R67-S70 VanDerWaalsContact O-N 3.16Å; S70-F72 PolarHBondContact O-N 2.97Å; S70-I73 PolarHBondContact O-N 3.32Å; S70-H74 WeakPolarHBondContact O-CB 3.49Å; S70-H74 PolarHBondContact O-N 2.97Å
71	L	98.5	Very high	98.2	Very high	27 Å²	27	42.8 Å²	42.8	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-49	175.3	-74.8	164	0	0	0	111.4	R67 H74 E75 L150 Y154	R67-L71 HydrophobicContact CG-CD1 4.1Å; R67-L71 PolarHBondContact O-N 3.1Å; L71-H74 PolarHBondContact O-N 2.83Å; L71-E75 VanDerWaalsContact O-CB 3.31Å; L71-E75 WeakPolarHBondContact O-CB 3.48Å; L71-E75 PolarHBondContact O-N 2.84Å; L71-L150 HydrophobicContact CD2-CD2 3.82Å; L71-L150 HydrophobicContact CG-CD2 4.29Å; L71-Y154 HydrophobicContact CD2-CE2 4.11Å
72	F	98.7	Very high	98.2	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-43.5	-179.5	179.7	-94.4	0	0	0	113.2	H33 C35 K48 L50 D68 A69 S70 A76 V83	H33-F72 HydrophobicContact CB-CE1 3.86Å; H33-F72 HydrophobicContact CB-CZ 3.82Å; H33-F72 AromaticContact CD2-CE2 3.95Å; H33-F72 AromaticContact CD2-CZ 3.79Å; C35-F72 HydrophobicContact CB-CD1 4.08Å; C35-F72 HydrophobicContact CB-CE1 3.95Å; K48-F72 HydrophobicContact CB-CE2 4.46Å; K48-F72 HydrophobicContact CD-CE2 4.11Å; K48-F72 HydrophobicContact CG-CE2 4Å; L50-F72 HydrophobicContact CB-CD1 3.99Å; L50-F72 HydrophobicContact CB-CD2 3.71Å; L50-F72 HydrophobicContact CB-CE1 4.04Å; L50-F72 HydrophobicContact CB-CE2 3.75Å; L50-F72 HydrophobicContact CB-CG 3.81Å; L50-F72 HydrophobicContact CB-CZ 3.92Å; L50-F72 HydrophobicContact CD2-CB 3.55Å; L50-F72 HydrophobicContact CD2-CD1 4.13Å; L50-F72 HydrophobicContact CD2-CD2 4.27Å; L50-F72 HydrophobicContact CD2-CG 3.74Å; L50-F72 HydrophobicContact CG-CG 4.42Å; D68-F72 WeakPolarHBondContact O-CB 3.41Å; D68-F72 PolarHBondContact O-N 3.07Å; D68-F72 VanDerWaalsContact O-N 3.08Å; A69-F72 PolarHBondContact O-N 3.38Å; S70-F72 PolarHBondContact O-N 2.97Å; F72-A76 PolarHBondContact O-N 3.15Å; F72-V83 HydrophobicContact CD1-CG1 4.36Å; F72-V83 HydrophobicContact CE1-CG1 4.03Å
73	I	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-45.2	177.9	-65.4	162.2	0	0	0	109.8	L12 A69 S70 A76 R77 V83 V85 I97 Y101	L12-I73 HydrophobicContact CD1-CG2 3.83Å; L12-I73 HydrophobicContact CD2-CG2 4.36Å; A69-I73 WeakPolarHBondContact O-CB 3.44Å; A69-I73 WeakPolarHBondContact O-CD1 3.23Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 3.46Å; S70-I73 PolarHBondContact O-N 3.32Å; I73-A76 PolarHBondContact O-N 3.15Å; I73-R77 HydrophobicContact CG2-CG 4.44Å; I73-R77 VanDerWaalsContact O-CG 3.31Å; I73-R77 WeakPolarHBondContact O-CG 3.49Å; I73-R77 PolarHBondContact O-N 3.4Å; I73-V83 HydrophobicContact CG1-CG1 4.14Å; I73-V83 HydrophobicContact CG2-CG2 4.4Å; I73-V85 HydrophobicContact CD1-CG2 3.8Å; I73-V85 HydrophobicContact CG1-CG2 4.17Å; I73-I97 HydrophobicContact CD1-CG2 4.14Å; I73-Y101 HydrophobicContact CB-CD2 4.1Å; I73-Y101 HydrophobicContact CB-CE2 4.15Å; I73-Y101 HydrophobicContact CB-CG 4.33Å; I73-Y101 HydrophobicContact CD1-CG 4.24Å; I73-Y101 HydrophobicContact CG2-CD1 3.76Å; I73-Y101 HydrophobicContact CG2-CD2 4.02Å; I73-Y101 HydrophobicContact CG2-CE1 3.6Å; I73-Y101 HydrophobicContact CG2-CE2 3.87Å; I73-Y101 HydrophobicContact CG2-CG 3.96Å
74	H	98.5	Very high	98.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.028	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-49.1	-176.6	-155.4	85.5	0	0	0	111.6	S70 L71 A76 R77 V78 Y101 L150 Y154 W157	S70-H74 WeakPolarHBondContact O-CB 3.49Å; S70-H74 PolarHBondContact O-N 2.97Å; L71-H74 PolarHBondContact O-N 2.83Å; H74-A76 VanDerWaalsContact C-N 3.31Å; H74-A76 PolarHBondContact O-N 2.89Å; H74-R77 PolarHBondContact O-N 3.37Å; H74-R77 VanDerWaalsContact O-N 3.11Å; H74-V78 VanDerWaalsContact O-CG2 3.29Å; H74-V78 WeakPolarHBondContact O-CG2 3.42Å; H74-V78 PolarHBondContact O-N 3Å; H74-Y101 HydrophobicContact CB-CE2 3.88Å; H74-Y101 AromaticContact ND1-CE2 3.71Å; H74-Y101 AromaticContact ND1-CZ 3.91Å; H74-Y101 PolarHBondContact ND1-OH 3.06Å; H74-L150 HydrophobicContact CB-CD1 4.23Å; H74-L150 HydrophobicContact CB-CD2 3.68Å; H74-Y154 AromaticContact CD2-CD2 3.69Å; H74-W157 AromaticContact CE1-CE3 3.51Å; H74-W157 AromaticContact NE2-CE3 3.65Å
75	E	98.1	Very high	98.3	Very high	49 Å²	49	32.9 Å²	32.9	23%	0.229	16%	0.156	C	C	.	.	H	α-helix	trans	-51.6	-50.6	177.1	-175.3	-167.5	-175.2	0	0	111.5	K48 L71 R77 V78 Y79 Y154	K48-E75 IonicContact NZ-OE1 2.78Å; K48-E75 PolarHBondContact NZ-OE1 2.72Å; K48-E75 IonicContact NZ-OE2 2.65Å; K48-E75 PolarHBondContact NZ-OE2 3.37Å; L71-E75 VanDerWaalsContact O-CB 3.31Å; L71-E75 WeakPolarHBondContact O-CB 3.48Å; L71-E75 PolarHBondContact O-N 2.84Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 3.03Å; E75-V78 PolarHBondContact O-N 3.32Å; E75-Y79 HydrophobicContact CG-CD2 4.07Å; E75-Y79 HydrophobicContact CG-CE2 4.03Å; E75-Y79 WeakPolarHBondContact O-CD2 3.36Å; E75-Y79 PolarHBondContact O-N 2.92Å; E75-Y154 HydrophobicContact CB-CE1 3.94Å; E75-Y154 HydrophobicContact CG-CE1 3.86Å
76	A	98.4	Very high	98.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-45.3	-179.8	0	0	0	0	0	111.8	H33 F72 I73 H74 Y79 N80 G81 V83	H33-A76 HydrophobicContact CB-CB 4.07Å; H33-A76 VanDerWaalsContact CG-CB 3.46Å; H33-A76 WeakPolarHBondContact ND1-CB 3.21Å; F72-A76 PolarHBondContact O-N 3.15Å; I73-A76 PolarHBondContact O-N 3.15Å; H74-A76 VanDerWaalsContact C-N 3.31Å; H74-A76 PolarHBondContact O-N 2.89Å; A76-Y79 CarbonylContact O-C 3.08Å; A76-Y79 PolarHBondContact O-N 3.37Å; A76-N80 PolarHBondContact O-N 2.74Å; A76-G81 VanDerWaalsContact O-CA 3.28Å; A76-G81 WeakPolarHBondContact O-CA 3.34Å; A76-G81 PolarHBondContact O-N 2.92Å; A76-V83 HydrophobicContact CB-CG2 3.28Å
77	R	98.3	Very high	98.2	Very high	9 Å²	9	30.7 Å²	30.7	3%	0.034	15%	0.148	C	C	.	.	H	α-helix	trans	-73.8	-31.3	-178	-62.7	178.9	71.7	-139.3	-0.9	112.7	P10 I73 H74 E75 Y79 N80 V83 Y101 W157 K161 D165	P10-R77 PolarHBondContact O-NE 3.27Å; P10-R77 VanDerWaalsContact O-NE 3.1Å; P10-R77 PolarHBondContact O-NH2 2.91Å; I73-R77 HydrophobicContact CG2-CG 4.44Å; I73-R77 VanDerWaalsContact O-CG 3.31Å; I73-R77 WeakPolarHBondContact O-CG 3.49Å; I73-R77 PolarHBondContact O-N 3.4Å; H74-R77 PolarHBondContact O-N 3.37Å; H74-R77 VanDerWaalsContact O-N 3.11Å; E75-R77 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 3.03Å; R77-Y79 VanDerWaalsContact C-N 3.34Å; R77-N80 PolarHBondContact O-N 3.48Å; R77-V83 HydrophobicContact CG-CG2 4.41Å; R77-Y101 WeakPolarHBondContact CD-OH 3.36Å; R77-Y101 PolarHBondContact NH1-OH 3.19Å; R77-W157 HydrophobicContact CB-CH2 3.57Å; R77-W157 HydrophobicContact CB-CZ2 4.47Å; R77-W157 HydrophobicContact CB-CZ3 4.15Å; R77-K161 PolarHBondContact O-NZ 3.06Å; R77-D165 IonicContact CZ-OD1 3.88Å; R77-D165 IonicContact CZ-OD2 3.37Å; R77-D165 IonicContact NH1-OD2 3.04Å; R77-D165 PolarHBondContact NH1-OD2 2.87Å; R77-D165 IonicContact NH2-OD1 2.71Å; R77-D165 PolarHBondContact NH2-OD1 3.01Å; R77-D165 IonicContact NH2-OD2 2.77Å; R77-D165 PolarHBondContact NH2-OD2 3.01Å
78	V	97.2	Very high	98	Very high	34 Å²	34	27.1 Å²	27.1	21%	0.206	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-49	172.3	166.9	0	0	0	0	109.5	H74 E75 N80 Y154 W157 K161	H74-V78 VanDerWaalsContact O-CG2 3.29Å; H74-V78 WeakPolarHBondContact O-CG2 3.42Å; H74-V78 PolarHBondContact O-N 3Å; E75-V78 PolarHBondContact O-N 3.32Å; V78-N80 PolarHBondContact O-N 3.48Å; V78-N80 PolarHBondContact O-OD1 3.48Å; V78-Y154 HydrophobicContact CG2-CG 4.25Å; V78-W157 HydrophobicContact CG2-CE3 4.17Å; V78-W157 HydrophobicContact CG2-CZ3 3.73Å; V78-K161 PolarHBondContact O-NZ 3.41Å; V78-K161 VanDerWaalsContact O-NZ 3.08Å
79	Y	96.8	Very high	97.8	Very high	165 Å²	165	25.8 Å²	25.8	65%	0.647	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	27.8	178.9	-60.2	-63.7	0	0	0	114.4	E75 A76 R77 G81	E75-Y79 HydrophobicContact CG-CD2 4.07Å; E75-Y79 HydrophobicContact CG-CE2 4.03Å; E75-Y79 WeakPolarHBondContact O-CD2 3.36Å; E75-Y79 PolarHBondContact O-N 2.92Å; A76-Y79 CarbonylContact O-C 3.08Å; A76-Y79 PolarHBondContact O-N 3.37Å; R77-Y79 VanDerWaalsContact C-N 3.34Å; Y79-G81 PolarHBondContact O-N 2.87Å; Y79-G81 VanDerWaalsContact O-N 3.08Å
80	N	96.8	Very high	97.7	Very high	133 Å²	133	25.8 Å²	25.8	71%	0.711	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	22.8	174.6	-61.1	0	0	0	0	115	A76 R77 V78 K161	A76-N80 PolarHBondContact O-N 2.74Å; R77-N80 PolarHBondContact O-N 3.48Å; V78-N80 PolarHBondContact O-N 3.48Å; V78-N80 PolarHBondContact O-OD1 3.48Å; N80-K161 WeakPolarHBondContact OD1-CE 3.48Å; N80-K161 PolarHBondContact OD1-NZ 2.9Å
81	G	97.9	Very high	97.5	Very high	13 Å²	13	27.8 Å²	27.8	13%	0.134	15%	0.149	C	C	.	.			trans	-79.4	169.4	168.6	0	0	0	0	0	112.7	T32 A76 Y79	T32-G81 VanDerWaalsContact OG1-CA 3.3Å; T32-G81 WeakPolarHBondContact OG1-CA 3.32Å; A76-G81 VanDerWaalsContact O-CA 3.28Å; A76-G81 WeakPolarHBondContact O-CA 3.34Å; A76-G81 PolarHBondContact O-N 2.92Å; Y79-G81 PolarHBondContact O-N 2.87Å; Y79-G81 VanDerWaalsContact O-N 3.08Å
82	A	98.5	Very high	97.5	Very high	10 Å²	10	26.6 Å²	26.6	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.8	172	0	0	0	0	0	111.1	G11 Y13 G30 I31 T32 H33	G11-A82 CarbonylContact O-C 3.55Å; G11-A82 WeakPolarHBondContact O-CA 3.49Å; Y13-A82 HydrophobicContact CD2-CB 4.48Å; Y13-A82 HydrophobicContact CE2-CB 4.07Å; G30-A82 WeakPolarHBondContact O-CB 3.48Å; I31-A82 HydrophobicContact CD1-CB 4.05Å; T32-A82 PolarHBondContact N-O 3.1Å; T32-A82 PolarHBondContact OG1-N 2.88Å; T32-A82 PolarHBondContact OG1-O 3.33Å; H33-A82 PolarHBondContact N-O 3.03Å
83	V	98.8	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.2	-174.7	-166.7	0	0	0	0	110.1	G11 L12 Y13 H33 F72 I73 A76 R77 V85	G11-V83 PolarHBondContact O-N 3.45Å; L12-V83 HydrophobicContact CD1-CB 4.26Å; Y13-V83 PolarHBondContact N-O 3.46Å; H33-V83 HydrophobicContact CB-CB 4.28Å; H33-V83 HydrophobicContact CB-CG1 4.06Å; H33-V83 HydrophobicContact CB-CG2 3.96Å; H33-V83 WeakPolarHBondContact O-CA 3.2Å; F72-V83 HydrophobicContact CD1-CG1 4.36Å; F72-V83 HydrophobicContact CE1-CG1 4.03Å; I73-V83 HydrophobicContact CG1-CG1 4.14Å; I73-V83 HydrophobicContact CG2-CG2 4.4Å; A76-V83 HydrophobicContact CB-CG2 3.28Å; R77-V83 HydrophobicContact CG-CG2 4.41Å; V83-V85 HydrophobicContact CG1-CG2 4.33Å
84	L	98.6	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.3	163.9	175.3	64.2	0	0	0	109.4	M5 A20 L26 I31 H33 V34 C35 H86	M5-L84 HydrophobicContact CB-CD1 3.96Å; M5-L84 HydrophobicContact CE-CD1 4.31Å; M5-L84 HydrophobicContact CE-CD2 3.96Å; M5-L84 HydrophobicContact SD-CD1 4.33Å; A20-L84 HydrophobicContact CB-CD2 3.78Å; L26-L84 HydrophobicContact CD2-CD2 3.91Å; I31-L84 HydrophobicContact CD1-CB 4.27Å; I31-L84 HydrophobicContact CG1-CB 4.48Å; I31-L84 HydrophobicContact CG2-CB 3.88Å; H33-L84 PolarHBondContact O-N 2.77Å; V34-L84 WeakPolarHBondContact CA-O 3.45Å; C35-L84 PolarHBondContact N-O 3.04Å; L84-H86 HydrophobicContact CD1-CB 4.48Å; L84-H86 HydrophobicContact CD2-CB 4.45Å; L84-H86 HydrophobicContact CG-CB 4.2Å
85	V	98.7	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.4	166	-170.6	0	0	0	0	107.9	L12 Y13 I14 G15 C35 V37 I73 V83 I97	L12-V85 HydrophobicContact CD1-CG2 3.83Å; Y13-V85 PolarHBondContact O-N 3.01Å; I14-V85 WeakPolarHBondContact CA-O 3.38Å; G15-V85 PolarHBondContact N-O 3.36Å; G15-V85 VanDerWaalsContact N-O 3.12Å; C35-V85 HydrophobicContact CB-CG1 4.38Å; C35-V85 HydrophobicContact CB-CG2 4.19Å; C35-V85 WeakPolarHBondContact O-CA 3.26Å; V37-V85 HydrophobicContact CG2-CG1 4.3Å; I73-V85 HydrophobicContact CD1-CG2 3.8Å; I73-V85 HydrophobicContact CG1-CG2 4.17Å; V83-V85 HydrophobicContact CG1-CG2 4.33Å; V85-I97 HydrophobicContact CG1-CB 4.09Å; V85-I97 HydrophobicContact CG1-CG2 3.87Å
86	H	98	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.2	-178.6	80.4	102.4	0	0	0	112.7	G15 A20 V34 C35 S36 V37 F42 L84	G15-H86 VanDerWaalsContact O-CA 3.23Å; G15-H86 WeakPolarHBondContact O-CA 3.49Å; G15-H86 VanDerWaalsContact O-CB 3.25Å; G15-H86 WeakPolarHBondContact O-CB 3.48Å; A20-H86 HydrophobicContact CB-CB 4.38Å; V34-H86 VanDerWaalsContact CG1-CD2 3.47Å; V34-H86 WeakPolarHBondContact CG1-CD2 3.33Å; C35-H86 PolarHBondContact O-N 2.71Å; S36-H86 WeakPolarHBondContact CB-NE2 3.48Å; S36-H86 PolarHBondContact OG-NE2 3.28Å; V37-H86 PolarHBondContact N-O 2.95Å; F42-H86 AromaticContact CD1-CE1 3.85Å; F42-H86 AromaticContact CD1-NE2 3.55Å; F42-H86 AromaticContact CE1-CE1 3.92Å; F42-H86 AromaticContact CE1-NE2 3.6Å; F42-H86 AromaticContact CG-CE1 3.91Å; L84-H86 HydrophobicContact CD1-CB 4.48Å; L84-H86 HydrophobicContact CD2-CB 4.45Å; L84-H86 HydrophobicContact CG-CB 4.2Å
87	C	96.6	Very high	97.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	13%	0.133	C	C	.	.			trans	-127.4	-155.5	165.9	64	0	0	0	0	108.1	G15 G16 V17 V37 L38 G90 R93 S94	G15-C87 PolarHBondContact O-N 2.78Å; G16-C87 CarbonylContact C-O 3.58Å; V17-C87 WeakPolarHBondContact CG2-O 3.45Å; V17-C87 PolarHBondContact N-O 3.35Å; V17-C87 VanDerWaalsContact N-O 3.12Å; V37-C87 HydrophobicContact CB-CB 4.31Å; V37-C87 WeakPolarHBondContact O-CA 3.45Å; V37-C87 VanDerWaalsContact O-CB 3.23Å; V37-C87 WeakPolarHBondContact O-CB 3.47Å; L38-C87 HydrophobicContact CD2-CB 4.4Å; C87-G90 VanDerWaalsContact SG-CA 3.56Å; C87-G90 PolarHBondContact SG-N 3.34Å; C87-R93 HydrophobicContact CB-CB 3.72Å; C87-S94 PolarHBondContact SG-OG 3.17Å
88	A	95	Very high	97.5	Very high	33 Å²	33	24.1 Å²	24.1	27%	0.273	13%	0.131	S	C	.	.	S	Bend	trans	-61.4	-54.2	-178.2	0	0	0	0	0	111.6	V17 L38	V17-A88 PolarHBondContact N-O 2.93Å; L38-A88 HydrophobicContact CD2-CB 4.28Å
89	C	94.2	Very high	97.6	Very high	44 Å²	44	22.6 Å²	22.6	30%	0.297	12%	0.121	S	C	.	.	S	Bend	trans	-112.7	-8.3	-175.3	-57.1	0	0	0	0	113.8	G2 V91 R121	G2-C89 WeakPolarHBondContact CA-O 3.34Å; C89-V91 HydrophobicContact CB-CB 4.48Å; C89-V91 HydrophobicContact CB-CG2 3.85Å; C89-R121 PolarHBondContact O-NH2 3.19Å; C89-R121 VanDerWaalsContact O-NH2 3.14Å
90	G	96.3	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	69.8	35.5	-173.8	0	0	0	0	0	113.4	G15 C87 S94 R121	G15-G90 WeakPolarHBondContact O-CA 3.23Å; G15-G90 PolarHBondContact O-N 3.12Å; C87-G90 VanDerWaalsContact SG-CA 3.56Å; C87-G90 PolarHBondContact SG-N 3.34Å; G90-S94 WeakPolarHBondContact CA-OG 3.47Å; G90-R121 PolarHBondContact O-NE 2.71Å; G90-R121 PolarHBondContact O-NH2 3.49Å
91	V	95.7	Very high	97.8	Very high	43 Å²	43	8.4 Å²	8.4	26%	0.261	6%	0.057	S	C	.	.	S	Bend	trans	-111	-51.7	-171.6	169.1	0	0	0	0	111.9	C89 V95 C123 C125	C89-V91 HydrophobicContact CB-CB 4.48Å; C89-V91 HydrophobicContact CB-CG2 3.85Å; V91-V95 WeakPolarHBondContact O-CB 3.47Å; V91-V95 WeakPolarHBondContact O-CG2 3.25Å; V91-C123 WeakPolarHBondContact CG1-O 3.14Å; V91-C123 HydrophobicContact CG2-CB 4.43Å; V91-C125 HydrophobicContact CG1-CB 4Å; V91-C125 CarbonylContact O-C 3.57Å; V91-C125 PolarHBondContact O-N 3.28Å
92	S	97	Very high	97.8	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	-117.5	-71.1	-169.7	167.9	0	0	0	0	112.8	D56 S94 V95 T96 C125 N127 F130	D56-S92 WeakPolarHBondContact OD1-CB 3.43Å; D56-S92 PolarHBondContact OD1-OG 3.4Å; D56-S92 VanDerWaalsContact OD2-CB 3.32Å; D56-S92 WeakPolarHBondContact OD2-CB 3.38Å; S92-S94 PolarHBondContact O-N 2.87Å; S92-V95 WeakPolarHBondContact O-CB 3.33Å; S92-V95 PolarHBondContact O-N 2.97Å; S92-T96 PolarHBondContact O-N 3.24Å; S92-T96 PolarHBondContact O-OG1 3.24Å; S92-C125 WeakPolarHBondContact CB-O 3.04Å; S92-N127 PolarHBondContact OG-N 3.24Å; S92-N127 VanDerWaalsContact OG-N 3.08Å; S92-F130 VanDerWaalsContact OG-CD2 3.29Å; S92-F130 WeakPolarHBondContact OG-CD2 3.29Å; S92-F130 WeakPolarHBondContact OG-CE2 3.38Å
93	R	98.3	Very high	97.8	Very high	25 Å²	25	8.2 Å²	8.2	9%	0.094	5%	0.051	C	C	.	.	H	α-helix	trans	-50.8	-55.8	-179	-76.4	172.9	-76.5	-164.4	-10.1	114.8	V37 A54 D56 I62 C87 V95 T96 I97 F130	V37-R93 HydrophobicContact CB-CB 4.07Å; V37-R93 HydrophobicContact CG1-CB 3.72Å; V37-R93 HydrophobicContact CG1-CG 4.2Å; A54-R93 WeakPolarHBondContact O-CD 3.48Å; A54-R93 PolarHBondContact O-NH1 3.26Å; D56-R93 HydrophobicContact CB-CG 4.32Å; I62-R93 HydrophobicContact CD1-CB 4.2Å; I62-R93 HydrophobicContact CD1-CG 4.19Å; C87-R93 HydrophobicContact CB-CB 3.72Å; R93-V95 VanDerWaalsContact C-N 3.31Å; R93-V95 PolarHBondContact O-N 3.46Å; R93-T96 WeakPolarHBondContact O-CB 3.49Å; R93-T96 PolarHBondContact O-N 3.11Å; R93-I97 PolarHBondContact O-N 3.07Å; R93-I97 VanDerWaalsContact O-N 3.11Å; R93-F130 HydrophobicContact CB-CE2 4.35Å; R93-F130 HydrophobicContact CG-CE2 3.57Å; R93-F130 HydrophobicContact CG-CZ 4Å
94	S	98.4	Very high	97.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66	-35.7	-179.1	54.7	0	0	0	0	112.4	C87 G90 S92 T96 I97 T98	C87-S94 PolarHBondContact SG-OG 3.17Å; G90-S94 WeakPolarHBondContact CA-OG 3.47Å; S92-S94 PolarHBondContact O-N 2.87Å; S94-T96 VanDerWaalsContact C-N 3.34Å; S94-I97 PolarHBondContact O-N 3.32Å; S94-T98 PolarHBondContact O-N 3.41Å; S94-T98 PolarHBondContact O-OG1 3.4Å; S94-T98 VanDerWaalsContact O-OG1 3.13Å
95	V	98.4	Very high	97.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.1	172.9	0	0	0	0	110.4	I14 V91 S92 R93 I97 T98 L99 V117 A124 P126	I14-V95 HydrophobicContact CD1-CG2 4.1Å; I14-V95 HydrophobicContact CG2-CG2 4.11Å; V91-V95 WeakPolarHBondContact O-CB 3.47Å; V91-V95 WeakPolarHBondContact O-CG2 3.25Å; S92-V95 WeakPolarHBondContact O-CB 3.33Å; S92-V95 PolarHBondContact O-N 2.97Å; R93-V95 VanDerWaalsContact C-N 3.31Å; R93-V95 PolarHBondContact O-N 3.46Å; V95-I97 PolarHBondContact O-N 3.25Å; V95-T98 PolarHBondContact O-N 2.68Å; V95-L99 HydrophobicContact CG1-CD1 3.82Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.29Å; V95-L99 WeakPolarHBondContact O-CG 3.16Å; V95-L99 PolarHBondContact O-N 3.37Å; V95-V117 HydrophobicContact CG1-CG1 3.99Å; V95-A124 HydrophobicContact CG1-CB 4.02Å; V95-A124 HydrophobicContact CG2-CB 3.78Å; V95-P126 HydrophobicContact CB-CG 4.25Å; V95-P126 HydrophobicContact CG1-CG 3.64Å
96	T	98.7	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-47.4	178.2	-52.8	0	0	0	0	111.5	I62 F66 S92 R93 S94 T98 L99 A100 F130 L134	I62-T96 HydrophobicContact CD1-CG2 4.28Å; I62-T96 HydrophobicContact CG2-CG2 3.87Å; F66-T96 HydrophobicContact CE1-CG2 4.03Å; F66-T96 HydrophobicContact CZ-CG2 4.02Å; S92-T96 PolarHBondContact O-N 3.24Å; S92-T96 PolarHBondContact O-OG1 3.24Å; R93-T96 WeakPolarHBondContact O-CB 3.49Å; R93-T96 PolarHBondContact O-N 3.11Å; S94-T96 VanDerWaalsContact C-N 3.34Å; T96-T98 VanDerWaalsContact C-N 3.34Å; T96-T98 PolarHBondContact O-N 3.43Å; T96-L99 PolarHBondContact O-N 2.9Å; T96-A100 PolarHBondContact O-N 2.88Å; T96-F130 HydrophobicContact CG2-CB 3.81Å; T96-F130 HydrophobicContact CG2-CD2 4.4Å; T96-F130 HydrophobicContact CG2-CG 4.21Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.37Å; T96-L134 HydrophobicContact CG2-CD1 3.89Å; T96-L134 HydrophobicContact CG2-CD2 4.25Å; T96-L134 HydrophobicContact CG2-CG 3.95Å
97	I	98.8	Very high	97.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-43.8	175.6	-68.2	-58.2	0	0	0	111.5	V37 L52 I62 F66 A69 I73 V85 R93 S94 V95 A100 Y101	V37-I97 HydrophobicContact CG1-CG1 4.44Å; V37-I97 HydrophobicContact CG2-CB 4.47Å; V37-I97 HydrophobicContact CG2-CG1 3.78Å; L52-I97 HydrophobicContact CD1-CD1 4.22Å; L52-I97 HydrophobicContact CD1-CG1 4.4Å; I62-I97 HydrophobicContact CD1-CD1 4.31Å; I62-I97 HydrophobicContact CD1-CG1 4.3Å; I62-I97 HydrophobicContact CG1-CD1 4Å; F66-I97 HydrophobicContact CD1-CD1 3.91Å; F66-I97 HydrophobicContact CE1-CD1 4.12Å; A69-I97 HydrophobicContact CB-CD1 4.29Å; A69-I97 HydrophobicContact CB-CG2 3.52Å; I73-I97 HydrophobicContact CD1-CG2 4.14Å; V85-I97 HydrophobicContact CG1-CB 4.09Å; V85-I97 HydrophobicContact CG1-CG2 3.87Å; R93-I97 PolarHBondContact O-N 3.07Å; R93-I97 VanDerWaalsContact O-N 3.11Å; S94-I97 PolarHBondContact O-N 3.32Å; V95-I97 PolarHBondContact O-N 3.25Å; I97-A100 PolarHBondContact O-N 3.35Å; I97-Y101 PolarHBondContact O-N 3.39Å; I97-Y101 VanDerWaalsContact O-N 3.09Å
98	T	98.8	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-42.3	177.5	-63.1	0	0	0	0	112.2	I8 L12 I14 S94 V95 T96 Y101 L102	I8-T98 HydrophobicContact CG1-CG2 4.35Å; I8-T98 HydrophobicContact CG2-CG2 4.27Å; L12-T98 HydrophobicContact CD2-CG2 3.89Å; L12-T98 HydrophobicContact CG-CG2 4.38Å; I14-T98 HydrophobicContact CD1-CG2 3.74Å; I14-T98 HydrophobicContact CG1-CG2 4.1Å; I14-T98 WeakPolarHBondContact CG1-OG1 3.47Å; S94-T98 PolarHBondContact O-N 3.41Å; S94-T98 PolarHBondContact O-OG1 3.4Å; S94-T98 VanDerWaalsContact O-OG1 3.13Å; V95-T98 PolarHBondContact O-N 2.68Å; T96-T98 VanDerWaalsContact C-N 3.34Å; T96-T98 PolarHBondContact O-N 3.43Å; T98-Y101 PolarHBondContact O-N 3.4Å; T98-L102 HydrophobicContact CG2-CD1 4.14Å; T98-L102 HydrophobicContact CG2-CG 4.41Å; T98-L102 WeakPolarHBondContact O-CG 3.29Å; T98-L102 PolarHBondContact O-N 3.34Å
99	L	98.8	Very high	97.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-45.7	176	-73.2	168.5	0	0	0	111.5	V95 T96 Y101 L102 M103 L110 L113 V114 V117 P126 L134	V95-L99 HydrophobicContact CG1-CD1 3.82Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.29Å; V95-L99 WeakPolarHBondContact O-CG 3.16Å; V95-L99 PolarHBondContact O-N 3.37Å; T96-L99 PolarHBondContact O-N 2.9Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 2.94Å; L99-L102 VanDerWaalsContact O-N 3.14Å; L99-M103 VanDerWaalsContact O-CG 3.3Å; L99-M103 WeakPolarHBondContact O-CG 3.47Å; L99-M103 PolarHBondContact O-N 3.13Å; L99-L110 HydrophobicContact CD1-CD1 4.5Å; L99-L113 HydrophobicContact CD2-CB 3.8Å; L99-V114 HydrophobicContact CD1-CG2 3.8Å; L99-V114 HydrophobicContact CD2-CG2 4.09Å; L99-V117 HydrophobicContact CD2-CB 4.34Å; L99-V117 HydrophobicContact CD2-CG2 3.8Å; L99-P126 HydrophobicContact CD1-CG 3.97Å; L99-L134 HydrophobicContact CB-CD1 3.92Å; L99-L134 HydrophobicContact CB-CD2 4.12Å; L99-L134 HydrophobicContact CD1-CD1 3.8Å
100	A	98.8	Very high	97.4	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-42.9	176.3	0	0	0	0	0	111.8	F66 T96 I97 M103 T104 L134 Y137	F66-A100 HydrophobicContact CB-CB 4.22Å; F66-A100 HydrophobicContact CD1-CB 3.55Å; F66-A100 HydrophobicContact CD2-CB 3.8Å; F66-A100 HydrophobicContact CE1-CB 3.72Å; F66-A100 HydrophobicContact CE2-CB 3.96Å; F66-A100 HydrophobicContact CG-CB 3.59Å; F66-A100 HydrophobicContact CZ-CB 3.92Å; T96-A100 PolarHBondContact O-N 2.88Å; I97-A100 PolarHBondContact O-N 3.35Å; A100-M103 PolarHBondContact O-N 3.06Å; A100-T104 WeakPolarHBondContact O-CB 3.31Å; A100-T104 PolarHBondContact O-N 3.01Å; A100-T104 PolarHBondContact O-OG1 2.66Å; A100-L134 HydrophobicContact CB-CD2 3.8Å; A100-Y137 HydrophobicContact CB-CD1 4.34Å; A100-Y137 HydrophobicContact CB-CE1 4.11Å; A100-Y137 WeakPolarHBondContact O-CE1 3.42Å
101	Y	98.8	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-46.7	174.4	174.5	-105.5	0	0	0	112.2	L12 I73 H74 R77 I97 T98 L99 M103 T104 I105	L12-Y101 HydrophobicContact CD2-CD1 3.65Å; L12-Y101 HydrophobicContact CD2-CE1 3.92Å; I73-Y101 HydrophobicContact CB-CD2 4.1Å; I73-Y101 HydrophobicContact CB-CE2 4.15Å; I73-Y101 HydrophobicContact CB-CG 4.33Å; I73-Y101 HydrophobicContact CD1-CG 4.24Å; I73-Y101 HydrophobicContact CG2-CD1 3.76Å; I73-Y101 HydrophobicContact CG2-CD2 4.02Å; I73-Y101 HydrophobicContact CG2-CE1 3.6Å; I73-Y101 HydrophobicContact CG2-CE2 3.87Å; I73-Y101 HydrophobicContact CG2-CG 3.96Å; H74-Y101 HydrophobicContact CB-CE2 3.88Å; H74-Y101 AromaticContact ND1-CE2 3.71Å; H74-Y101 AromaticContact ND1-CZ 3.91Å; H74-Y101 PolarHBondContact ND1-OH 3.06Å; R77-Y101 WeakPolarHBondContact CD-OH 3.36Å; R77-Y101 PolarHBondContact NH1-OH 3.19Å; I97-Y101 PolarHBondContact O-N 3.39Å; I97-Y101 VanDerWaalsContact O-N 3.09Å; T98-Y101 PolarHBondContact O-N 3.4Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 2.88Å; Y101-M103 PolarHBondContact O-N 3.49Å; Y101-T104 WeakPolarHBondContact O-CA 3.44Å; Y101-T104 VanDerWaalsContact O-CB 3.25Å; Y101-T104 WeakPolarHBondContact O-CB 3.48Å; Y101-T104 PolarHBondContact O-N 2.87Å; Y101-I105 HydrophobicContact CD1-CD1 4.42Å; Y101-I105 HydrophobicContact CD1-CG1 4.44Å; Y101-I105 HydrophobicContact CD2-CG2 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.71Å; Y101-I105 HydrophobicContact CE1-CG1 4.1Å; Y101-I105 HydrophobicContact CE1-CG2 4.41Å; Y101-I105 HydrophobicContact CE2-CG2 3.63Å; Y101-I105 WeakPolarHBondContact O-CG1 3.26Å; Y101-I105 PolarHBondContact O-N 3.36Å
102	L	98.6	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-40.5	178.7	-68.8	174.3	0	0	0	112.6	I8 V9 T98 L99 T104 I105 T106 L113 V117 L169	I8-L102 HydrophobicContact CG2-CD1 3.99Å; V9-L102 HydrophobicContact CG1-CD2 4.38Å; V9-L102 HydrophobicContact CG2-CD2 4.35Å; T98-L102 HydrophobicContact CG2-CD1 4.14Å; T98-L102 HydrophobicContact CG2-CG 4.41Å; T98-L102 WeakPolarHBondContact O-CG 3.29Å; T98-L102 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 2.94Å; L99-L102 VanDerWaalsContact O-N 3.14Å; L102-T104 PolarHBondContact O-N 2.96Å; L102-I105 HydrophobicContact CD2-CD1 4.42Å; L102-I105 PolarHBondContact O-N 3.09Å; L102-T106 WeakPolarHBondContact O-CB 3.46Å; L102-T106 PolarHBondContact O-N 3.3Å; L102-T106 PolarHBondContact O-OG1 3.46Å; L102-L113 HydrophobicContact CB-CD1 3.93Å; L102-L113 HydrophobicContact CB-CD2 3.9Å; L102-L113 HydrophobicContact CB-CG 4.46Å; L102-L113 HydrophobicContact CD1-CD2 4.27Å; L102-V117 HydrophobicContact CD1-CG2 3.92Å; L102-L169 HydrophobicContact CD1-CD2 4.27Å; L102-L169 HydrophobicContact CD2-CD1 4.15Å
103	M	98.4	Very high	97.2	Very high	19 Å²	19	20.5 Å²	20.5	9%	0.094	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-32.6	171.8	-68.5	174.8	69.1	0	0	112	L99 A100 Y101 T106 L110 L113 L134 Y137	L99-M103 VanDerWaalsContact O-CG 3.3Å; L99-M103 WeakPolarHBondContact O-CG 3.47Å; L99-M103 PolarHBondContact O-N 3.13Å; A100-M103 PolarHBondContact O-N 3.06Å; Y101-M103 PolarHBondContact O-N 3.49Å; M103-T106 VanDerWaalsContact O-O 3.09Å; M103-L110 HydrophobicContact CE-CB 4.29Å; M103-L110 HydrophobicContact SD-CB 4.21Å; M103-L110 HydrophobicContact SD-CD1 3.76Å; M103-L110 HydrophobicContact SD-CG 4.39Å; M103-L113 HydrophobicContact CB-CD1 4.27Å; M103-L113 HydrophobicContact CG-CD1 3.52Å; M103-L134 WeakPolarHBondContact CE-O 3.25Å; M103-L134 HydrophobicContact SD-CB 4.35Å; M103-L134 HydrophobicContact SD-CD2 3.93Å; M103-Y137 HydrophobicContact CB-CE1 4.41Å; M103-Y137 HydrophobicContact CE-CD1 4.21Å; M103-Y137 HydrophobicContact SD-CD1 4.29Å
104	T	98.3	Very high	97.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.7	-40.6	179.5	-55.9	0	0	0	0	111.3	A100 Y101 L102 Y137 I146 R147 L150	A100-T104 WeakPolarHBondContact O-CB 3.31Å; A100-T104 PolarHBondContact O-N 3.01Å; A100-T104 PolarHBondContact O-OG1 2.66Å; Y101-T104 WeakPolarHBondContact O-CA 3.44Å; Y101-T104 VanDerWaalsContact O-CB 3.25Å; Y101-T104 WeakPolarHBondContact O-CB 3.48Å; Y101-T104 PolarHBondContact O-N 2.87Å; L102-T104 PolarHBondContact O-N 2.96Å; T104-Y137 PolarHBondContact OG1-OH 3.16Å; T104-I146 HydrophobicContact CG2-CB 3.99Å; T104-I146 HydrophobicContact CG2-CG2 3.7Å; T104-R147 HydrophobicContact CG2-CB 4.21Å; T104-R147 WeakPolarHBondContact O-CB 3.47Å; T104-R147 WeakPolarHBondContact O-CG 3.39Å; T104-R147 PolarHBondContact O-NE 3.45Å; T104-L150 HydrophobicContact CG2-CD1 3.74Å
105	I	97.3	Very high	96.9	Very high	11 Å²	11	23.2 Å²	23.2	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-93.7	-22.1	-174.8	60	149.3	0	0	0	114.2	Y101 L102 L150 M162	Y101-I105 HydrophobicContact CD1-CD1 4.42Å; Y101-I105 HydrophobicContact CD1-CG1 4.44Å; Y101-I105 HydrophobicContact CD2-CG2 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.71Å; Y101-I105 HydrophobicContact CE1-CG1 4.1Å; Y101-I105 HydrophobicContact CE1-CG2 4.41Å; Y101-I105 HydrophobicContact CE2-CG2 3.63Å; Y101-I105 WeakPolarHBondContact O-CG1 3.26Å; Y101-I105 PolarHBondContact O-N 3.36Å; L102-I105 HydrophobicContact CD2-CD1 4.42Å; L102-I105 PolarHBondContact O-N 3.09Å; I105-L150 HydrophobicContact CG2-CD1 4.12Å; I105-M162 WeakPolarHBondContact O-CE 3.45Å
106	T	96.1	Very high	96.7	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.025	12%	0.119	C	C	.	.			trans	-116.7	159.8	-178.7	73.2	0	0	0	0	111.5	L102 M103 M108 R147 M162 I166	L102-T106 WeakPolarHBondContact O-CB 3.46Å; L102-T106 PolarHBondContact O-N 3.3Å; L102-T106 PolarHBondContact O-OG1 3.46Å; M103-T106 VanDerWaalsContact O-O 3.09Å; T106-M108 VanDerWaalsContact C-N 3.26Å; T106-M108 HydrophobicContact CG2-CE 3.93Å; T106-M108 PolarHBondContact OG1-N 2.95Å; T106-R147 VanDerWaalsContact C-NH2 3.27Å; T106-R147 PolarHBondContact O-NH2 3.32Å; T106-M162 HydrophobicContact CG2-SD 4.2Å; T106-I166 HydrophobicContact CG2-CD1 4.12Å
107	D	94.4	Very high	96.6	Very high	138 Å²	138	23.2 Å²	23.2	74%	0.738	12%	0.119	S	C	*	.			trans	-90.5	14.9	170.6	-60.8	-42.6	0	0	0	112.8	R147	D107-R147 IonicContact OD1-CZ 3.22Å; D107-R147 VanDerWaalsContact OD1-CZ 3.22Å; D107-R147 IonicContact OD1-NH1 2.69Å; D107-R147 PolarHBondContact OD1-NH1 2.67Å; D107-R147 IonicContact OD1-NH2 2.83Å; D107-R147 PolarHBondContact OD1-NH2 3.03Å; D107-R147 IonicContact OD2-NH1 3.8Å
108	M	94.7	Very high	96.4	Very high	29 Å²	29	24.4 Å²	24.4	14%	0.143	13%	0.127	C	C	.	.			trans	-74.4	134.2	178.8	-85.6	-178.1	-76.6	0	0	111.4	T106 L113 I166 L169	T106-M108 VanDerWaalsContact C-N 3.26Å; T106-M108 HydrophobicContact CG2-CE 3.93Å; T106-M108 PolarHBondContact OG1-N 2.95Å; M108-L113 HydrophobicContact CB-CD1 4.37Å; M108-L113 HydrophobicContact CB-CD2 3.72Å; M108-L113 HydrophobicContact CB-CG 3.84Å; M108-L113 HydrophobicContact CE-CD2 3.95Å; M108-L113 WeakPolarHBondContact O-CD1 3.39Å; M108-L113 HydrophobicContact SD-CD2 4.23Å; M108-I166 HydrophobicContact CE-CD1 3.31Å; M108-I166 HydrophobicContact SD-CD1 4.44Å; M108-L169 HydrophobicContact CE-CB 3.84Å; M108-L169 HydrophobicContact CE-CD1 3.25Å; M108-L169 HydrophobicContact CE-CG 4.14Å; M108-L169 HydrophobicContact SD-CB 4.17Å; M108-L169 HydrophobicContact SD-CD1 4.49Å
109	P	94.5	Very high	96.1	Very high	68 Å²	68	25.4 Å²	25.4	44%	0.442	14%	0.137	S	C	.	.			trans	-67.6	145.7	178.8	29.8	-36.1	0	0	0	110.6	P111 K112 L113	P109-P111 VanDerWaalsContact C-CD 3.44Å; P109-P111 VanDerWaalsContact C-N 3.34Å; P109-K112 HydrophobicContact CG-CB 4.16Å; P109-K112 HydrophobicContact CG-CD 3.87Å; P109-K112 HydrophobicContact CG-CG 3.93Å; P109-K112 PolarHBondContact O-N 3.44Å; P109-L113 PolarHBondContact O-N 3.14Å; P109-L113 VanDerWaalsContact O-N 3.15Å
110	L	95.6	Very high	95.9	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.089	14%	0.144	C	C	.	.	H	α-helix	trans	-48.5	-44.1	-176.9	173	64	0	0	0	113.9	L99 M103 K112 L113 V114 L134 I135	L99-L110 HydrophobicContact CD1-CD1 4.5Å; M103-L110 HydrophobicContact CE-CB 4.29Å; M103-L110 HydrophobicContact SD-CB 4.21Å; M103-L110 HydrophobicContact SD-CD1 3.76Å; M103-L110 HydrophobicContact SD-CG 4.39Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3Å; L110-L113 PolarHBondContact O-N 3.01Å; L110-L113 VanDerWaalsContact O-N 3.15Å; L110-V114 HydrophobicContact CD1-CG2 3.73Å; L110-V114 HydrophobicContact CG-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.2Å; L110-L134 HydrophobicContact CD1-CB 4.17Å; L110-L134 HydrophobicContact CD1-CD1 4.11Å; L110-L134 HydrophobicContact CD2-CB 3.71Å; L110-I135 HydrophobicContact CD2-CG1 3.8Å
111	P	94.1	Very high	95.7	Very high	30 Å²	30	26.3 Å²	26.3	20%	0.195	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-40.7	177.1	-25.4	33.7	0	0	0	113.9	P109 R115 I242	P109-P111 VanDerWaalsContact C-CD 3.44Å; P109-P111 VanDerWaalsContact C-N 3.34Å; P111-R115 WeakPolarHBondContact O-CB 3.45Å; P111-R115 PolarHBondContact O-N 2.87Å; P111-I242 HydrophobicContact CB-CG2 3.81Å; P111-I242 HydrophobicContact CG-CG2 3.96Å
112	K	94.7	Very high	95.3	Very high	84 Å²	84	28.9 Å²	28.9	37%	0.365	16%	0.16	S	C	.	.	H	α-helix	trans	-67.3	-43.1	176.1	-72.3	-172.2	179.3	-179.8	0	110.8	P109 L110 V114 R115 A116 L173	P109-K112 HydrophobicContact CG-CB 4.16Å; P109-K112 HydrophobicContact CG-CD 3.87Å; P109-K112 HydrophobicContact CG-CG 3.93Å; P109-K112 PolarHBondContact O-N 3.44Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3Å; K112-V114 PolarHBondContact O-N 2.88Å; K112-R115 PolarHBondContact O-N 3.42Å; K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.47Å; K112-L173 HydrophobicContact CB-CD1 4.46Å; K112-L173 HydrophobicContact CB-CD2 4.35Å; K112-L173 HydrophobicContact CD-CD1 4.49Å; K112-L173 VanDerWaalsContact O-CD2 3.31Å; K112-L173 WeakPolarHBondContact O-CD2 3.46Å
113	L	96.9	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-43.4	176.9	-67.7	176.4	0	0	0	112.1	L99 L102 M103 M108 P109 L110 R115 A116 V117 L169	L99-L113 HydrophobicContact CD2-CB 3.8Å; L102-L113 HydrophobicContact CB-CD1 3.93Å; L102-L113 HydrophobicContact CB-CD2 3.9Å; L102-L113 HydrophobicContact CB-CG 4.46Å; L102-L113 HydrophobicContact CD1-CD2 4.27Å; M103-L113 HydrophobicContact CB-CD1 4.27Å; M103-L113 HydrophobicContact CG-CD1 3.52Å; M108-L113 HydrophobicContact CB-CD1 4.37Å; M108-L113 HydrophobicContact CB-CD2 3.72Å; M108-L113 HydrophobicContact CB-CG 3.84Å; M108-L113 HydrophobicContact CE-CD2 3.95Å; M108-L113 WeakPolarHBondContact O-CD1 3.39Å; M108-L113 HydrophobicContact SD-CD2 4.23Å; P109-L113 PolarHBondContact O-N 3.14Å; P109-L113 VanDerWaalsContact O-N 3.15Å; L110-L113 PolarHBondContact O-N 3.01Å; L110-L113 VanDerWaalsContact O-N 3.15Å; L113-R115 PolarHBondContact O-N 2.96Å; L113-A116 PolarHBondContact O-N 3.18Å; L113-V117 WeakPolarHBondContact O-CB 3.17Å; L113-V117 VanDerWaalsContact O-CG2 3.31Å; L113-V117 WeakPolarHBondContact O-CG2 3.25Å; L113-V117 PolarHBondContact O-N 3.42Å; L113-L169 HydrophobicContact CD2-CD1 4.28Å
114	V	95.9	Very high	94.8	Very high	10 Å²	10	30.3 Å²	30.3	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-49.3	174.4	170.9	0	0	0	0	110.1	L99 L110 K112 A116 V117 V118 L131	L99-V114 HydrophobicContact CD1-CG2 3.8Å; L99-V114 HydrophobicContact CD2-CG2 4.09Å; L110-V114 HydrophobicContact CD1-CG2 3.73Å; L110-V114 HydrophobicContact CG-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.2Å; K112-V114 PolarHBondContact O-N 2.88Å; V114-A116 PolarHBondContact O-N 3.24Å; V114-V117 PolarHBondContact O-N 3.44Å; V114-V118 HydrophobicContact CG1-CG2 4.48Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.13Å; V114-V118 PolarHBondContact O-N 2.96Å; V114-L131 HydrophobicContact CG2-CD2 4.48Å
115	R	94.1	Very high	94.6	Very high	72 Å²	72	31 Å²	31	27%	0.272	18%	0.176	S	C	.	.	H	α-helix	trans	-61.7	-43.7	179.2	-175.7	173.3	172.8	155.2	2.4	112.4	P111 K112 L113 V118 G119 L173 L243	P111-R115 WeakPolarHBondContact O-CB 3.45Å; P111-R115 PolarHBondContact O-N 2.87Å; K112-R115 PolarHBondContact O-N 3.42Å; L113-R115 PolarHBondContact O-N 2.96Å; R115-V118 PolarHBondContact O-N 2.83Å; R115-G119 PolarHBondContact O-N 2.86Å; R115-L173 HydrophobicContact CB-CD2 3.76Å; R115-L173 HydrophobicContact CG-CD2 3.78Å; R115-L243 HydrophobicContact CB-CD2 4.16Å
116	A	95.4	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-44.2	176.8	0	0	0	0	0	111.7	K112 L113 V114 V118 G119 A120 L169 L172 L173	K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.47Å; L113-A116 PolarHBondContact O-N 3.18Å; V114-A116 PolarHBondContact O-N 3.24Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 3.26Å; A116-G119 WeakPolarHBondContact O-CA 3.48Å; A116-G119 PolarHBondContact O-N 3.01Å; A116-G119 VanDerWaalsContact O-N 3.1Å; A116-A120 PolarHBondContact O-N 2.98Å; A116-L169 HydrophobicContact CB-CB 4.38Å; A116-L169 HydrophobicContact CB-CD2 3.77Å; A116-L172 HydrophobicContact CB-CB 4.12Å; A116-L172 WeakPolarHBondContact O-CB 3.4Å; A116-L173 HydrophobicContact CB-CD2 4.13Å; A116-L173 HydrophobicContact CB-CG 4.28Å
117	V	96.4	Very high	94.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-38.7	176.8	173.4	0	0	0	0	111.4	I8 I14 V95 L99 L102 L113 V114 G119 A120 R121 A124	I8-V117 HydrophobicContact CD1-CG1 4.34Å; I8-V117 HydrophobicContact CG2-CG2 3.97Å; I14-V117 HydrophobicContact CD1-CG1 3.82Å; V95-V117 HydrophobicContact CG1-CG1 3.99Å; L99-V117 HydrophobicContact CD2-CB 4.34Å; L99-V117 HydrophobicContact CD2-CG2 3.8Å; L102-V117 HydrophobicContact CD1-CG2 3.92Å; L113-V117 WeakPolarHBondContact O-CB 3.17Å; L113-V117 VanDerWaalsContact O-CG2 3.31Å; L113-V117 WeakPolarHBondContact O-CG2 3.25Å; L113-V117 PolarHBondContact O-N 3.42Å; V114-V117 PolarHBondContact O-N 3.44Å; V117-G119 VanDerWaalsContact C-N 3.33Å; V117-A120 PolarHBondContact O-N 2.91Å; V117-R121 PolarHBondContact O-N 3.36Å; V117-A124 HydrophobicContact CG1-CB 3.95Å
118	V	94.2	Very high	94.6	Very high	28 Å²	28	26.6 Å²	26.6	17%	0.17	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-39.8	171.5	172	0	0	0	0	111.1	V114 R115 A116 A120 R121 P122 A124	V114-V118 HydrophobicContact CG1-CG2 4.48Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.13Å; V114-V118 PolarHBondContact O-N 2.96Å; R115-V118 PolarHBondContact O-N 2.83Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 3.26Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 2.8Å; V118-R121 CarbonylContact O-C 3.51Å; V118-R121 PolarHBondContact O-N 3.37Å; V118-P122 VanDerWaalsContact O-CA 3.26Å; V118-P122 WeakPolarHBondContact O-CA 3.41Å; V118-P122 VanDerWaalsContact O-N 3.1Å; V118-A124 HydrophobicContact CG2-CB 4.13Å
119	G	92.8	Very high	94.7	Very high	20 Å²	20	25.4 Å²	25.4	21%	0.206	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-32.9	174.6	0	0	0	0	0	113.8	R115 A116 V117 K175	R115-G119 PolarHBondContact O-N 2.86Å; A116-G119 WeakPolarHBondContact O-CA 3.48Å; A116-G119 PolarHBondContact O-N 3.01Å; A116-G119 VanDerWaalsContact O-N 3.1Å; V117-G119 VanDerWaalsContact C-N 3.33Å; G119-K175 WeakPolarHBondContact O-CD 3.32Å
120	A	94.9	Very high	94.9	Very high	18 Å²	18	22.1 Å²	22.1	15%	0.149	13%	0.129	C	C	.	.	H	α-helix	trans	-84.1	-33.1	173.8	0	0	0	0	0	113	S6 I8 A116 V117 V118 L172	S6-A120 WeakPolarHBondContact CB-O 3.18Å; S6-A120 PolarHBondContact OG-O 3.27Å; I8-A120 HydrophobicContact CD1-CB 3.64Å; A116-A120 PolarHBondContact O-N 2.98Å; V117-A120 PolarHBondContact O-N 2.91Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 2.8Å; A120-L172 HydrophobicContact CB-CD1 3.69Å; A120-L172 HydrophobicContact CB-CD2 3.83Å; A120-L172 HydrophobicContact CB-CG 4.38Å
121	R	93.8	Very high	94.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.015	13%	0.127	C	C	.	.			trans	-138.7	89.4	-174.8	-171.9	166.8	-178	80	3.3	109.5	G2 S4 S6 C89 G90 V117 V118 C123 A124	G2-R121 PolarHBondContact O-NH1 3.08Å; G2-R121 PolarHBondContact O-NH2 3.38Å; S4-R121 PolarHBondContact O-NH1 2.84Å; S6-R121 PolarHBondContact OG-NH1 2.76Å; C89-R121 PolarHBondContact O-NH2 3.19Å; C89-R121 VanDerWaalsContact O-NH2 3.14Å; G90-R121 PolarHBondContact O-NE 2.71Å; G90-R121 PolarHBondContact O-NH2 3.49Å; V117-R121 PolarHBondContact O-N 3.36Å; V118-R121 CarbonylContact O-C 3.51Å; V118-R121 PolarHBondContact O-N 3.37Å; R121-C123 PolarHBondContact O-N 2.89Å; R121-A124 HydrophobicContact CB-CB 4.41Å; R121-A124 WeakPolarHBondContact O-CB 3.31Å; R121-A124 PolarHBondContact O-N 3.1Å
122	P	91.4	Very high	95.1	Very high	53 Å²	53	24.3 Å²	24.3	34%	0.344	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.9	-172.5	-31	36.8	0	0	0	114.9	V118 A124 C181	V118-P122 VanDerWaalsContact O-CA 3.26Å; V118-P122 WeakPolarHBondContact O-CA 3.41Å; V118-P122 VanDerWaalsContact O-N 3.1Å; P122-A124 VanDerWaalsContact C-N 3.26Å; P122-A124 PolarHBondContact O-N 3.32Å; P122-C181 PolarHBondContact O-SG 3.41Å; P122-C181 VanDerWaalsContact O-SG 3.36Å
123	C	91.2	Very high	95.3	Very high	48 Å²	48	22 Å²	22	32%	0.324	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	2.5	177.6	65.1	0	0	0	0	114.9	V91 R121 C125	V91-C123 WeakPolarHBondContact CG1-O 3.14Å; V91-C123 HydrophobicContact CG2-CB 4.43Å; R121-C123 PolarHBondContact O-N 2.89Å; C123-C125 PolarHBondContact O-N 3.24Å
124	A	94.1	Very high	95.3	Very high	2 Å²	2	22 Å²	22	2%	0.017	13%	0.127	C	C	.	.			trans	-64.3	122	178.1	0	0	0	0	0	110.9	V95 V117 V118 R121 P122	V95-A124 HydrophobicContact CG1-CB 4.02Å; V95-A124 HydrophobicContact CG2-CB 3.78Å; V117-A124 HydrophobicContact CG1-CB 3.95Å; V118-A124 HydrophobicContact CG2-CB 4.13Å; R121-A124 HydrophobicContact CB-CB 4.41Å; R121-A124 WeakPolarHBondContact O-CB 3.31Å; R121-A124 PolarHBondContact O-N 3.1Å; P122-A124 VanDerWaalsContact C-N 3.26Å; P122-A124 PolarHBondContact O-N 3.32Å
125	C	94	Very high	95.4	Very high	13 Å²	13	24 Å²	24	9%	0.088	14%	0.137	C	C	.	.			trans	-161.2	83.9	-176.6	-174.6	0	0	0	0	109.3	V91 S92 C123 I239	V91-C125 HydrophobicContact CG1-CB 4Å; V91-C125 CarbonylContact O-C 3.57Å; V91-C125 PolarHBondContact O-N 3.28Å; S92-C125 WeakPolarHBondContact CB-O 3.04Å; C123-C125 PolarHBondContact O-N 3.24Å; C125-I239 HydrophobicContact CB-CD1 4.35Å; C125-I239 VanDerWaalsContact SG-CD1 3.51Å
126	P	96.2	Very high	95.6	Very high	4 Å²	4	26 Å²	26	3%	0.026	15%	0.15	C	C	.	.			trans	-52.8	146.3	167.3	-25.5	37.2	0	0	0	111.5	V95 L99 F130 L131	V95-P126 HydrophobicContact CB-CG 4.25Å; V95-P126 HydrophobicContact CG1-CG 3.64Å; L99-P126 HydrophobicContact CD1-CG 3.97Å; P126-F130 HydrophobicContact CB-CB 4.27Å; P126-L131 HydrophobicContact CB-CD2 3.95Å; P126-L131 HydrophobicContact CB-CG 3.94Å; P126-L131 HydrophobicContact CG-CD2 4.14Å
127	N	96.1	Very high	95.7	Very high	29 Å²	29	26.6 Å²	26.6	16%	0.155	15%	0.152	C	C	.	.			trans	-68.8	165	170.1	73.4	53.5	0	0	0	110.9	D56 S58 S92 G129 F130 L131	D56-N127 PolarHBondContact OD1-ND2 2.88Å; D56-N127 VanDerWaalsContact OD1-ND2 3.1Å; S58-N127 WeakPolarHBondContact CA-OD1 3.48Å; S92-N127 PolarHBondContact OG-N 3.24Å; S92-N127 VanDerWaalsContact OG-N 3.08Å; N127-G129 PolarHBondContact O-N 3.48Å; N127-G129 PolarHBondContact OD1-N 2.96Å; N127-G129 VanDerWaalsContact OD1-N 3.17Å; N127-F130 WeakPolarHBondContact ND2-CD2 3.26Å; N127-F130 WeakPolarHBondContact ND2-CE2 3.35Å; N127-F130 WeakPolarHBondContact ND2-CG 3.28Å; N127-F130 WeakPolarHBondContact ND2-CZ 3.3Å; N127-F130 PolarHBondContact O-N 3.32Å; N127-F130 WeakPolarHBondContact OD1-CG 3.22Å; N127-F130 PolarHBondContact OD1-N 2.93Å; N127-L131 PolarHBondContact O-N 3.13Å; N127-L131 VanDerWaalsContact O-N 3.09Å
128	S	95.5	Very high	95.7	Very high	28 Å²	28	28.1 Å²	28.1	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-44.4	-174.4	54.8	0	0	0	0	113.3	F130 L131 E132	S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.21Å; S128-L131 WeakPolarHBondContact O-CB 3.31Å; S128-L131 PolarHBondContact O-N 3.5Å; S128-L131 VanDerWaalsContact O-N 3.1Å; S128-E132 WeakPolarHBondContact O-CG 3.38Å; S128-E132 PolarHBondContact O-N 3.1Å
129	G	96.9	Very high	95.7	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-28.5	179.5	0	0	0	0	0	113.2	S58 N127 Q133	S58-G129 WeakPolarHBondContact O-CA 3.01Å; N127-G129 PolarHBondContact O-N 3.48Å; N127-G129 PolarHBondContact OD1-N 2.96Å; N127-G129 VanDerWaalsContact OD1-N 3.17Å; G129-Q133 WeakPolarHBondContact O-CB 3.42Å; G129-Q133 VanDerWaalsContact O-CG 3.29Å; G129-Q133 WeakPolarHBondContact O-CG 3.38Å; G129-Q133 PolarHBondContact O-N 3.14Å; G129-Q133 VanDerWaalsContact O-N 3.08Å; G129-Q133 PolarHBondContact O-NE2 2.92Å; G129-Q133 VanDerWaalsContact O-NE2 3.13Å
130	F	98	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.1	-36	171.7	-69.8	-2.8	0	0	0	112.6	D55 D57 E60 I62 S92 R93 T96 P126 N127 S128 Q133 L134	D55-F130 WeakPolarHBondContact O-CZ 3.49Å; D57-F130 VanDerWaalsContact O-CE1 3.3Å; D57-F130 WeakPolarHBondContact O-CE1 3.37Å; E60-F130 HydrophobicContact CB-CE1 4.01Å; E60-F130 HydrophobicContact CB-CZ 4.32Å; E60-F130 HydrophobicContact CG-CE1 4.49Å; E60-F130 WeakPolarHBondContact O-CE1 3.37Å; I62-F130 HydrophobicContact CB-CD1 4.11Å; I62-F130 HydrophobicContact CB-CE1 3.83Å; I62-F130 HydrophobicContact CB-CZ 4.19Å; I62-F130 HydrophobicContact CD1-CD2 4.22Å; I62-F130 HydrophobicContact CD1-CE1 4.39Å; I62-F130 HydrophobicContact CD1-CE2 3.88Å; I62-F130 HydrophobicContact CD1-CZ 3.96Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.42Å; I62-F130 VanDerWaalsContact CG2-CD1 3.42Å; I62-F130 HydrophobicContact CG2-CD2 4.46Å; I62-F130 HydrophobicContact CG2-CE1 3.69Å; I62-F130 HydrophobicContact CG2-CG 3.86Å; I62-F130 HydrophobicContact CG2-CZ 4.33Å; S92-F130 VanDerWaalsContact OG-CD2 3.29Å; S92-F130 WeakPolarHBondContact OG-CD2 3.29Å; S92-F130 WeakPolarHBondContact OG-CE2 3.38Å; R93-F130 HydrophobicContact CB-CE2 4.35Å; R93-F130 HydrophobicContact CG-CE2 3.57Å; R93-F130 HydrophobicContact CG-CZ 4Å; T96-F130 HydrophobicContact CG2-CB 3.81Å; T96-F130 HydrophobicContact CG2-CD2 4.4Å; T96-F130 HydrophobicContact CG2-CG 4.21Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.37Å; P126-F130 HydrophobicContact CB-CB 4.27Å; N127-F130 WeakPolarHBondContact ND2-CD2 3.26Å; N127-F130 WeakPolarHBondContact ND2-CE2 3.35Å; N127-F130 WeakPolarHBondContact ND2-CG 3.28Å; N127-F130 WeakPolarHBondContact ND2-CZ 3.3Å; N127-F130 PolarHBondContact O-N 3.32Å; N127-F130 WeakPolarHBondContact OD1-CG 3.22Å; N127-F130 PolarHBondContact OD1-N 2.93Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.21Å; F130-Q133 PolarHBondContact O-N 3.44Å; F130-L134 WeakPolarHBondContact O-CG 3.47Å; F130-L134 PolarHBondContact O-N 2.8Å
131	L	97.4	Very high	95.9	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-42.6	173	-70.1	169.5	0	0	0	111.5	V114 P126 N127 S128 Q133 L134 I135 H238 I242	V114-L131 HydrophobicContact CG2-CD2 4.48Å; P126-L131 HydrophobicContact CB-CD2 3.95Å; P126-L131 HydrophobicContact CB-CG 3.94Å; P126-L131 HydrophobicContact CG-CD2 4.14Å; N127-L131 PolarHBondContact O-N 3.13Å; N127-L131 VanDerWaalsContact O-N 3.09Å; S128-L131 WeakPolarHBondContact O-CB 3.31Å; S128-L131 PolarHBondContact O-N 3.5Å; S128-L131 VanDerWaalsContact O-N 3.1Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.08Å; L131-L134 HydrophobicContact CD2-CD1 4.36Å; L131-L134 WeakPolarHBondContact O-CB 3.3Å; L131-L134 PolarHBondContact O-N 3.17Å; L131-L134 VanDerWaalsContact O-N 3.11Å; L131-I135 WeakPolarHBondContact O-CG1 3.3Å; L131-I135 PolarHBondContact O-N 3.43Å; L131-H238 WeakPolarHBondContact CD1-CD2 3.37Å; L131-I242 HydrophobicContact CD1-CD1 3.93Å; L131-I242 HydrophobicContact CD2-CD1 4.35Å
132	E	97.4	Very high	96.1	Very high	85 Å²	85	37 Å²	37	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-57.5	-44.9	173.4	-72.4	165.8	-157.9	0	0	111.1	S128 L134 I135 E136	S128-E132 WeakPolarHBondContact O-CG 3.38Å; S128-E132 PolarHBondContact O-N 3.1Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.99Å; E132-I135 PolarHBondContact O-N 3.09Å; E132-E136 PolarHBondContact O-N 3.44Å
133	Q	98.4	Very high	96.4	Very high	36 Å²	36	35 Å²	35	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-34.6	174.8	-77.7	173.8	71.1	0	0	113.4	E60 A63 G129 F130 L131 Y137	E60-Q133 PolarHBondContact O-NE2 3.31Å; A63-Q133 HydrophobicContact CB-CB 4.28Å; A63-Q133 HydrophobicContact CB-CG 4.38Å; G129-Q133 WeakPolarHBondContact O-CB 3.42Å; G129-Q133 VanDerWaalsContact O-CG 3.29Å; G129-Q133 WeakPolarHBondContact O-CG 3.38Å; G129-Q133 PolarHBondContact O-N 3.14Å; G129-Q133 VanDerWaalsContact O-N 3.08Å; G129-Q133 PolarHBondContact O-NE2 2.92Å; G129-Q133 VanDerWaalsContact O-NE2 3.13Å; F130-Q133 PolarHBondContact O-N 3.44Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.08Å; Q133-Y137 WeakPolarHBondContact O-CB 3.37Å; Q133-Y137 PolarHBondContact O-N 2.69Å
134	L	98.3	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.4	-39.4	174	-74.9	167.6	0	0	0	112	F66 T96 L99 A100 M103 L110 F130 L131 E132 Y137 G138	F66-L134 HydrophobicContact CE2-CD2 4.13Å; F66-L134 HydrophobicContact CZ-CD2 3.86Å; F66-L134 HydrophobicContact CZ-CG 4.34Å; T96-L134 HydrophobicContact CG2-CD1 3.89Å; T96-L134 HydrophobicContact CG2-CD2 4.25Å; T96-L134 HydrophobicContact CG2-CG 3.95Å; L99-L134 HydrophobicContact CB-CD1 3.92Å; L99-L134 HydrophobicContact CB-CD2 4.12Å; L99-L134 HydrophobicContact CD1-CD1 3.8Å; A100-L134 HydrophobicContact CB-CD2 3.8Å; M103-L134 WeakPolarHBondContact CE-O 3.25Å; M103-L134 HydrophobicContact SD-CB 4.35Å; M103-L134 HydrophobicContact SD-CD2 3.93Å; L110-L134 HydrophobicContact CD1-CB 4.17Å; L110-L134 HydrophobicContact CD1-CD1 4.11Å; L110-L134 HydrophobicContact CD2-CB 3.71Å; F130-L134 WeakPolarHBondContact O-CG 3.47Å; F130-L134 PolarHBondContact O-N 2.8Å; L131-L134 HydrophobicContact CD2-CD1 4.36Å; L131-L134 WeakPolarHBondContact O-CB 3.3Å; L131-L134 PolarHBondContact O-N 3.17Å; L131-L134 VanDerWaalsContact O-N 3.11Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.99Å; L134-Y137 WeakPolarHBondContact O-CB 3.41Å; L134-Y137 PolarHBondContact O-N 2.58Å; L134-G138 PolarHBondContact O-N 3.09Å; L134-G138 VanDerWaalsContact O-N 3.07Å
135	I	97.1	Very high	96.9	Very high	52 Å²	52	41.3 Å²	41.3	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-50.7	175.1	-68.1	164.6	0	0	0	109.6	L110 L131 E132 Y137 G138 N139 L190	L110-I135 HydrophobicContact CD2-CG1 3.8Å; L131-I135 WeakPolarHBondContact O-CG1 3.3Å; L131-I135 PolarHBondContact O-N 3.43Å; E132-I135 PolarHBondContact O-N 3.09Å; I135-Y137 VanDerWaalsContact C-N 3.27Å; I135-Y137 PolarHBondContact O-N 3.08Å; I135-G138 PolarHBondContact O-N 2.81Å; I135-G138 VanDerWaalsContact O-N 3.12Å; I135-N139 PolarHBondContact O-N 2.95Å; I135-L190 HydrophobicContact CD1-CD2 4.15Å
136	E	98	Very high	97.1	Very high	115 Å²	115	41.4 Å²	41.4	54%	0.537	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-37.8	176.7	-177.3	57	-154	0	0	111.9	E132 G138 N139 S140	E132-E136 PolarHBondContact O-N 3.44Å; E136-G138 VanDerWaalsContact C-N 3.31Å; E136-G138 PolarHBondContact O-N 3.3Å; E136-N139 PolarHBondContact O-N 3.43Å; E136-S140 WeakPolarHBondContact O-CB 3.35Å; E136-S140 PolarHBondContact O-N 3.32Å; E136-S140 PolarHBondContact O-OG 2.85Å
137	Y	98	Very high	97.2	Very high	11 Å²	11	44.4 Å²	44.4	4%	0.043	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-37.6	176	-179.4	-118.1	0	0	0	113.3	F66 A100 M103 T104 Q133 L134 I135 A142 A143 I146	F66-Y137 HydrophobicContact CB-CE2 4.21Å; F66-Y137 AromaticContact CD2-CD1 3.97Å; F66-Y137 HydrophobicContact CD2-CD1 3.97Å; F66-Y137 AromaticContact CD2-CD2 3.59Å; F66-Y137 HydrophobicContact CD2-CD2 3.59Å; F66-Y137 HydrophobicContact CD2-CE1 4.26Å; F66-Y137 AromaticContact CD2-CE2 3.89Å; F66-Y137 HydrophobicContact CD2-CE2 3.89Å; F66-Y137 AromaticContact CD2-CG 3.62Å; F66-Y137 HydrophobicContact CD2-CG 3.62Å; F66-Y137 HydrophobicContact CE2-CD1 4.21Å; F66-Y137 HydrophobicContact CE2-CD2 4.23Å; F66-Y137 AromaticContact CE2-CG 3.85Å; F66-Y137 HydrophobicContact CE2-CG 3.85Å; A100-Y137 HydrophobicContact CB-CD1 4.34Å; A100-Y137 HydrophobicContact CB-CE1 4.11Å; A100-Y137 WeakPolarHBondContact O-CE1 3.42Å; M103-Y137 HydrophobicContact CB-CE1 4.41Å; M103-Y137 HydrophobicContact CE-CD1 4.21Å; M103-Y137 HydrophobicContact SD-CD1 4.29Å; T104-Y137 PolarHBondContact OG1-OH 3.16Å; Q133-Y137 WeakPolarHBondContact O-CB 3.37Å; Q133-Y137 PolarHBondContact O-N 2.69Å; L134-Y137 WeakPolarHBondContact O-CB 3.41Å; L134-Y137 PolarHBondContact O-N 2.58Å; I135-Y137 VanDerWaalsContact C-N 3.27Å; I135-Y137 PolarHBondContact O-N 3.08Å; Y137-A142 HydrophobicContact CD2-CB 3.53Å; Y137-A142 HydrophobicContact CE2-CB 3.67Å; Y137-A143 HydrophobicContact CD1-CB 4.02Å; Y137-A143 HydrophobicContact CE1-CB 3.55Å; Y137-A143 HydrophobicContact CE2-CB 4.29Å; Y137-A143 VanDerWaalsContact CZ-CA 3.42Å; Y137-A143 PolarHBondContact O-N 2.97Å; Y137-A143 WeakPolarHBondContact OH-CA 3.1Å; Y137-I146 HydrophobicContact CE2-CD1 3.84Å; Y137-I146 VanDerWaalsContact OH-CD1 3.26Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.48Å
138	G	95.2	Very high	97.3	Very high	34 Å²	34	50.5 Å²	50.5	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-46.7	172.6	0	0	0	0	0	112.4	L134 I135 E136	L134-G138 PolarHBondContact O-N 3.09Å; L134-G138 VanDerWaalsContact O-N 3.07Å; I135-G138 PolarHBondContact O-N 2.81Å; I135-G138 VanDerWaalsContact O-N 3.12Å; E136-G138 VanDerWaalsContact C-N 3.31Å; E136-G138 PolarHBondContact O-N 3.3Å
139	N	95.9	Very high	97.4	Very high	128 Å²	128	51.4 Å²	51.4	68%	0.684	27%	0.274	S	S	*	.	H	α-helix	trans	-74.2	-35.3	-172.8	-67	-10.6	0	0	0	113.7	I135 E136 G141	I135-N139 PolarHBondContact O-N 2.95Å; E136-N139 PolarHBondContact O-N 3.43Å; N139-G141 PolarHBondContact O-N 2.83Å
140	S	96.5	Very high	97.5	Very high	64 Å²	64	51.4 Å²	51.4	45%	0.448	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.8	-176.7	59.5	0	0	0	0	114.6	E136 A142	E136-S140 WeakPolarHBondContact O-CB 3.35Å; E136-S140 PolarHBondContact O-N 3.32Å; E136-S140 PolarHBondContact O-OG 2.85Å; S140-A142 PolarHBondContact O-N 3.44Å; S140-A142 WeakPolarHBondContact OG-CB 3.41Å; S140-A142 PolarHBondContact OG-N 3.26Å
141	G	95.1	Very high	97.5	Very high	34 Å²	34	53.9 Å²	53.9	35%	0.351	29%	0.286	S	S	.	.	S	Bend	trans	71.4	6	-172.3	0	0	0	0	0	114.1	N139 A143 A144 K145	N139-G141 PolarHBondContact O-N 2.83Å; G141-A143 VanDerWaalsContact C-N 3.3Å; G141-A143 PolarHBondContact O-N 3.22Å; G141-A144 PolarHBondContact O-N 3.49Å; G141-K145 PolarHBondContact O-N 3.18Å
142	A	97.6	Very high	97.5	Very high	31 Å²	31	57.7 Å²	57.7	26%	0.256	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-39.4	177.4	0	0	0	0	0	111.9	Y137 S140 A144 K145 I146	Y137-A142 HydrophobicContact CD2-CB 3.53Å; Y137-A142 HydrophobicContact CE2-CB 3.67Å; S140-A142 PolarHBondContact O-N 3.44Å; S140-A142 WeakPolarHBondContact OG-CB 3.41Å; S140-A142 PolarHBondContact OG-N 3.26Å; A142-A144 PolarHBondContact O-N 3.11Å; A142-K145 PolarHBondContact O-N 2.9Å; A142-I146 PolarHBondContact O-N 3.4Å
143	A	97.5	Very high	97.5	Very high	10 Å²	10	57.1 Å²	57.1	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-46.5	173.1	0	0	0	0	0	112.5	Y137 G141 K145 I146 R147	Y137-A143 HydrophobicContact CD1-CB 4.02Å; Y137-A143 HydrophobicContact CE1-CB 3.55Å; Y137-A143 HydrophobicContact CE2-CB 4.29Å; Y137-A143 VanDerWaalsContact CZ-CA 3.42Å; Y137-A143 PolarHBondContact O-N 2.97Å; Y137-A143 WeakPolarHBondContact OH-CA 3.1Å; G141-A143 VanDerWaalsContact C-N 3.3Å; G141-A143 PolarHBondContact O-N 3.22Å; A143-K145 VanDerWaalsContact C-N 3.34Å; A143-K145 PolarHBondContact O-N 3.38Å; A143-I146 PolarHBondContact O-N 3.03Å; A143-R147 WeakPolarHBondContact O-CB 3.22Å; A143-R147 PolarHBondContact O-N 3.48Å
144	A	97.2	Very high	97.4	Very high	40 Å²	40	58.4 Å²	58.4	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-35.6	177.8	0	0	0	0	0	112.4	G141 A142 R147 R148	G141-A144 PolarHBondContact O-N 3.49Å; A142-A144 PolarHBondContact O-N 3.11Å; A144-R147 PolarHBondContact O-N 3.13Å; A144-R148 WeakPolarHBondContact O-CG 3.49Å; A144-R148 PolarHBondContact O-N 3.38Å
145	K	98	Very high	97.4	Very high	142 Å²	142	60 Å²	60	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-62.5	-47.1	174.6	-175.8	-178.9	177.5	-178.8	0	111.5	G141 A142 A143 R148 E149	G141-K145 PolarHBondContact O-N 3.18Å; A142-K145 PolarHBondContact O-N 2.9Å; A143-K145 VanDerWaalsContact C-N 3.34Å; A143-K145 PolarHBondContact O-N 3.38Å; K145-R148 PolarHBondContact O-N 2.85Å; K145-E149 PolarHBondContact O-N 2.84Å
146	I	98.3	Very high	97.3	Very high	15 Å²	15	64.3 Å²	64.3	8%	0.077	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-37.8	177.5	-66.2	166.6	0	0	0	110.2	R67 T104 Y137 A142 A143 R148 E149 L150	R67-I146 HydrophobicContact CB-CD1 3.76Å; R67-I146 HydrophobicContact CB-CG1 4.21Å; R67-I146 HydrophobicContact CG-CD1 4.31Å; R67-I146 HydrophobicContact CG-CG1 4.21Å; T104-I146 HydrophobicContact CG2-CB 3.99Å; T104-I146 HydrophobicContact CG2-CG2 3.7Å; Y137-I146 HydrophobicContact CE2-CD1 3.84Å; Y137-I146 VanDerWaalsContact OH-CD1 3.26Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.48Å; A142-I146 PolarHBondContact O-N 3.4Å; A143-I146 PolarHBondContact O-N 3.03Å; I146-R148 PolarHBondContact O-N 3.11Å; I146-E149 WeakPolarHBondContact O-CA 3.18Å; I146-E149 WeakPolarHBondContact O-CB 3.29Å; I146-E149 PolarHBondContact O-N 3.43Å; I146-L150 HydrophobicContact CG2-CD1 4.49Å; I146-L150 HydrophobicContact CG2-CG 4.34Å; I146-L150 WeakPolarHBondContact O-CG 3.39Å; I146-L150 PolarHBondContact O-N 3.39Å
147	R	98.2	Very high	97.2	Very high	67 Å²	67	60.1 Å²	60.1	25%	0.253	34%	0.341	S	S	.	.	H	α-helix	trans	-55	-48.5	173.4	-171	-172.7	-66.1	-178.1	-0.4	111.9	T104 T106 D107 A143 A144 E149 L150 I151	T104-R147 HydrophobicContact CG2-CB 4.21Å; T104-R147 WeakPolarHBondContact O-CB 3.47Å; T104-R147 WeakPolarHBondContact O-CG 3.39Å; T104-R147 PolarHBondContact O-NE 3.45Å; T106-R147 VanDerWaalsContact C-NH2 3.27Å; T106-R147 PolarHBondContact O-NH2 3.32Å; D107-R147 IonicContact OD1-CZ 3.22Å; D107-R147 VanDerWaalsContact OD1-CZ 3.22Å; D107-R147 IonicContact OD1-NH1 2.69Å; D107-R147 PolarHBondContact OD1-NH1 2.67Å; D107-R147 IonicContact OD1-NH2 2.83Å; D107-R147 PolarHBondContact OD1-NH2 3.03Å; D107-R147 IonicContact OD2-NH1 3.8Å; A143-R147 WeakPolarHBondContact O-CB 3.22Å; A143-R147 PolarHBondContact O-N 3.48Å; A144-R147 PolarHBondContact O-N 3.13Å; R147-E149 PolarHBondContact O-N 2.86Å; R147-L150 WeakPolarHBondContact O-CB 3.32Å; R147-L150 PolarHBondContact O-N 2.92Å; R147-I151 HydrophobicContact CG-CD1 4.12Å; R147-I151 WeakPolarHBondContact O-CG1 3.38Å; R147-I151 PolarHBondContact O-N 3.47Å
148	R	98.3	Very high	97.1	Very high	158 Å²	158	62 Å²	62	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-37.1	176.1	-74	-172.2	-66.5	-92.7	3.6	112.5	A144 K145 I146 I151 A152	A144-R148 WeakPolarHBondContact O-CG 3.49Å; A144-R148 PolarHBondContact O-N 3.38Å; K145-R148 PolarHBondContact O-N 2.85Å; I146-R148 PolarHBondContact O-N 3.11Å; R148-I151 PolarHBondContact O-N 3.39Å; R148-A152 WeakPolarHBondContact O-CB 3.4Å; R148-A152 PolarHBondContact O-N 2.72Å
149	E	98.3	Very high	97.1	Very high	47 Å²	47	67.5 Å²	67.5	22%	0.22	37%	0.369	C	S	.	.	H	α-helix	trans	-67.4	-43.1	176.4	-164.4	-175.4	163	0	0	112.1	R67 K145 I146 R147 I151 A152 C153	R67-E149 IonicContact CZ-OE1 3.1Å; R67-E149 IonicContact CZ-OE2 3.66Å; R67-E149 VanDerWaalsContact NE-CD 3.34Å; R67-E149 IonicContact NE-OE1 3.09Å; R67-E149 PolarHBondContact NE-OE1 3.47Å; R67-E149 VanDerWaalsContact NE-OE1 3.09Å; R67-E149 IonicContact NE-OE2 2.8Å; R67-E149 PolarHBondContact NE-OE2 3.18Å; R67-E149 IonicContact NH2-OE1 2.58Å; R67-E149 PolarHBondContact NH2-OE1 3.46Å; R67-E149 IonicContact NH2-OE2 3.75Å; K145-E149 PolarHBondContact O-N 2.84Å; I146-E149 WeakPolarHBondContact O-CA 3.18Å; I146-E149 WeakPolarHBondContact O-CB 3.29Å; I146-E149 PolarHBondContact O-N 3.43Å; R147-E149 PolarHBondContact O-N 2.86Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 3.14Å; E149-A152 PolarHBondContact O-N 2.74Å; E149-C153 PolarHBondContact O-N 3.17Å; E149-C153 PolarHBondContact O-SG 3.38Å
150	L	98.2	Very high	97.2	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-45.1	174	-64.6	177.9	0	0	0	111	L71 H74 T104 I105 I146 R147 A152 C153 Y154	L71-L150 HydrophobicContact CD2-CD2 3.82Å; L71-L150 HydrophobicContact CG-CD2 4.29Å; H74-L150 HydrophobicContact CB-CD1 4.23Å; H74-L150 HydrophobicContact CB-CD2 3.68Å; T104-L150 HydrophobicContact CG2-CD1 3.74Å; I105-L150 HydrophobicContact CG2-CD1 4.12Å; I146-L150 HydrophobicContact CG2-CD1 4.49Å; I146-L150 HydrophobicContact CG2-CG 4.34Å; I146-L150 WeakPolarHBondContact O-CG 3.39Å; I146-L150 PolarHBondContact O-N 3.39Å; R147-L150 WeakPolarHBondContact O-CB 3.32Å; R147-L150 PolarHBondContact O-N 2.92Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.35Å; L150-C153 PolarHBondContact O-N 2.77Å; L150-Y154 HydrophobicContact CD2-CD2 4.46Å; L150-Y154 HydrophobicContact CD2-CE2 4.35Å; L150-Y154 WeakPolarHBondContact O-CD2 3.1Å; L150-Y154 PolarHBondContact O-N 3.43Å
151	I	98	Very high	97.2	Very high	52 Å²	52	67.8 Å²	67.8	27%	0.267	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-42.5	177	-65	162.9	0	0	0	110.9	R147 R148 E149 C153 G155 E156	R147-I151 HydrophobicContact CG-CD1 4.12Å; R147-I151 WeakPolarHBondContact O-CG1 3.38Å; R147-I151 PolarHBondContact O-N 3.47Å; R148-I151 PolarHBondContact O-N 3.39Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 3.14Å; I151-C153 VanDerWaalsContact C-N 3.31Å; I151-C153 PolarHBondContact O-N 3.05Å; I151-G155 WeakPolarHBondContact CA-O 3.25Å; I151-G155 WeakPolarHBondContact O-CA 3.04Å; I151-G155 PolarHBondContact O-N 3.48Å; I151-E156 HydrophobicContact CG2-CG 4.32Å
152	A	98	Very high	97.3	Very high	87 Å²	87	68.3 Å²	68.3	72%	0.719	35%	0.352	S	S	*	.	H	α-helix	trans	-64.5	-34.5	177.7	0	0	0	0	0	112.9	R148 E149 L150	R148-A152 WeakPolarHBondContact O-CB 3.4Å; R148-A152 PolarHBondContact O-N 2.72Å; E149-A152 PolarHBondContact O-N 2.74Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.35Å
153	C	97.4	Very high	97.3	Very high	73 Å²	73	71 Å²	71	49%	0.493	36%	0.363	S	S	.	.	H	α-helix	trans	-83.8	-36.5	-179.1	-69.9	0	0	0	0	114	E149 L150 I151	E149-C153 PolarHBondContact O-N 3.17Å; E149-C153 PolarHBondContact O-SG 3.38Å; L150-C153 PolarHBondContact O-N 2.77Å; I151-C153 VanDerWaalsContact C-N 3.31Å; I151-C153 PolarHBondContact O-N 3.05Å
154	Y	97.4	Very high	97.3	Very high	64 Å²	64	72.3 Å²	72.3	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-127.6	-2.5	-167.3	-54.3	-70.4	0	0	0	114.6	L71 H74 E75 V78 L150	L71-Y154 HydrophobicContact CD2-CE2 4.11Å; H74-Y154 AromaticContact CD2-CD2 3.69Å; E75-Y154 HydrophobicContact CB-CE1 3.94Å; E75-Y154 HydrophobicContact CG-CE1 3.86Å; V78-Y154 HydrophobicContact CG2-CG 4.25Å; L150-Y154 HydrophobicContact CD2-CD2 4.46Å; L150-Y154 HydrophobicContact CD2-CE2 4.35Å; L150-Y154 WeakPolarHBondContact O-CD2 3.1Å; L150-Y154 PolarHBondContact O-N 3.43Å
155	G	96.9	Very high	97.4	Very high	34 Å²	34	70.4 Å²	70.4	35%	0.351	36%	0.358	S	S	.	.			trans	80	177.5	-168.9	0	0	0	0	0	112.7	I151	I151-G155 WeakPolarHBondContact CA-O 3.25Å; I151-G155 WeakPolarHBondContact O-CA 3.04Å; I151-G155 PolarHBondContact O-N 3.48Å
156	E	96	Very high	97.4	Very high	141 Å²	141	66.4 Å²	66.4	66%	0.659	34%	0.342	S	S	*	.	S	Bend	trans	-60	144.3	175.2	-71.4	-69.4	174.2	0	0	111.4	I151 P158	I151-E156 HydrophobicContact CG2-CG 4.32Å; E156-P158 WeakPolarHBondContact O-CD 3.23Å
157	W	96.2	Very high	97.3	Very high	27 Å²	27	68.6 Å²	68.6	10%	0.102	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.5	123.1	173.9	-171.9	-120.3	0	0	0	109	H74 R77 V78 K159 K161 M162 D165	H74-W157 AromaticContact CE1-CE3 3.51Å; H74-W157 AromaticContact NE2-CE3 3.65Å; R77-W157 HydrophobicContact CB-CH2 3.57Å; R77-W157 HydrophobicContact CB-CZ2 4.47Å; R77-W157 HydrophobicContact CB-CZ3 4.15Å; V78-W157 HydrophobicContact CG2-CE3 4.17Å; V78-W157 HydrophobicContact CG2-CZ3 3.73Å; W157-K159 PolarHBondContact O-N 2.83Å; W157-K161 HydrophobicContact CD2-CB 4.42Å; W157-K161 HydrophobicContact CH2-CB 4.35Å; W157-K161 HydrophobicContact CH2-CD 3.49Å; W157-K161 VanDerWaalsContact CH2-CD 3.49Å; W157-K161 HydrophobicContact CZ2-CB 3.54Å; W157-K161 HydrophobicContact CZ2-CD 3.56Å; W157-K161 HydrophobicContact CZ2-CG 4.17Å; W157-K161 HydrophobicContact CZ3-CD 4.14Å; W157-M162 HydrophobicContact CB-CE 4.34Å; W157-M162 HydrophobicContact CG-CE 4.29Å; W157-D165 PolarHBondContact NE1-OD2 2.99Å
158	P	95.4	Very high	97.3	Very high	52 Å²	52	66.7 Å²	66.7	34%	0.338	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-55.6	134.3	-174.2	-27.7	34.8	0	0	0	111.9	E156 E160 K161 M162	E156-P158 WeakPolarHBondContact O-CD 3.23Å; P158-E160 VanDerWaalsContact C-N 3.25Å; P158-E160 PolarHBondContact O-N 2.93Å; P158-K161 HydrophobicContact CB-CB 4.36Å; P158-K161 HydrophobicContact CB-CD 4.42Å; P158-K161 HydrophobicContact CB-CG 4.21Å; P158-K161 HydrophobicContact CG-CD 4.19Å; P158-K161 WeakPolarHBondContact O-CA 3.33Å; P158-K161 WeakPolarHBondContact O-CB 3.41Å; P158-K161 PolarHBondContact O-N 2.84Å; P158-M162 PolarHBondContact O-N 3.2Å
159	K	95.9	Very high	97.2	Very high	149 Å²	149	59.1 Å²	59.1	65%	0.648	33%	0.33	S	S	*	.	H	α-helix	trans	-56	-41.1	-174.6	-174.5	-178.9	175.8	-175.9	0	111.9	W157 K161 M162 D163	W157-K159 PolarHBondContact O-N 2.83Å; K159-K161 VanDerWaalsContact C-N 3.28Å; K159-K161 PolarHBondContact O-N 2.83Å; K159-M162 WeakPolarHBondContact O-CB 3.31Å; K159-M162 PolarHBondContact O-N 3.08Å; K159-M162 VanDerWaalsContact O-N 3.13Å; K159-D163 WeakPolarHBondContact O-CB 3.24Å; K159-D163 VanDerWaalsContact O-CG 3.29Å; K159-D163 PolarHBondContact O-N 3.49Å
160	E	96.6	Very high	97.1	Very high	143 Å²	143	60.1 Å²	60.1	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-63.6	-35.8	179.2	-53.5	76.3	-163.7	0	0	111.8	P158 A164	P158-E160 VanDerWaalsContact C-N 3.25Å; P158-E160 PolarHBondContact O-N 2.93Å; E160-A164 WeakPolarHBondContact O-CB 3.39Å; E160-A164 PolarHBondContact O-N 3.03Å; E160-A164 VanDerWaalsContact O-N 3.17Å
161	K	96.9	Very high	96.9	Very high	55 Å²	55	65.5 Å²	65.5	24%	0.239	36%	0.364	C	S	.	.	H	α-helix	trans	-73.4	-37.2	174.8	-66.6	-171.2	177.3	179.3	0	111.3	R77 V78 N80 W157 P158 K159 A164 D165	R77-K161 PolarHBondContact O-NZ 3.06Å; V78-K161 PolarHBondContact O-NZ 3.41Å; V78-K161 VanDerWaalsContact O-NZ 3.08Å; N80-K161 WeakPolarHBondContact OD1-CE 3.48Å; N80-K161 PolarHBondContact OD1-NZ 2.9Å; W157-K161 HydrophobicContact CD2-CB 4.42Å; W157-K161 HydrophobicContact CH2-CB 4.35Å; W157-K161 HydrophobicContact CH2-CD 3.49Å; W157-K161 VanDerWaalsContact CH2-CD 3.49Å; W157-K161 HydrophobicContact CZ2-CB 3.54Å; W157-K161 HydrophobicContact CZ2-CD 3.56Å; W157-K161 HydrophobicContact CZ2-CG 4.17Å; W157-K161 HydrophobicContact CZ3-CD 4.14Å; P158-K161 HydrophobicContact CB-CB 4.36Å; P158-K161 HydrophobicContact CB-CD 4.42Å; P158-K161 HydrophobicContact CB-CG 4.21Å; P158-K161 HydrophobicContact CG-CD 4.19Å; P158-K161 WeakPolarHBondContact O-CA 3.33Å; P158-K161 WeakPolarHBondContact O-CB 3.41Å; P158-K161 PolarHBondContact O-N 2.84Å; K159-K161 VanDerWaalsContact C-N 3.28Å; K159-K161 PolarHBondContact O-N 2.83Å; K161-A164 PolarHBondContact O-N 3.25Å; K161-D165 VanDerWaalsContact O-CG 3.26Å; K161-D165 PolarHBondContact O-N 3.31Å
162	M	97.6	Very high	96.7	Very high	44 Å²	44	63.5 Å²	63.5	22%	0.217	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-50.4	173.9	-173.1	57.5	79.9	0	0	110.9	I105 T106 W157 P158 K159 A164 D165 I166	I105-M162 WeakPolarHBondContact O-CE 3.45Å; T106-M162 HydrophobicContact CG2-SD 4.2Å; W157-M162 HydrophobicContact CB-CE 4.34Å; W157-M162 HydrophobicContact CG-CE 4.29Å; P158-M162 PolarHBondContact O-N 3.2Å; K159-M162 WeakPolarHBondContact O-CB 3.31Å; K159-M162 PolarHBondContact O-N 3.08Å; K159-M162 VanDerWaalsContact O-N 3.13Å; M162-A164 VanDerWaalsContact C-N 3.25Å; M162-A164 PolarHBondContact O-N 2.84Å; M162-D165 WeakPolarHBondContact O-CB 3.18Å; M162-D165 PolarHBondContact O-N 3.11Å; M162-I166 HydrophobicContact CG-CG1 4.23Å; M162-I166 WeakPolarHBondContact O-CG1 3.06Å; M162-I166 PolarHBondContact O-N 2.98Å; M162-I166 HydrophobicContact SD-CD1 4.25Å; M162-I166 HydrophobicContact SD-CG1 4.19Å
163	D	97.6	Very high	96.3	Very high	89 Å²	89	60.8 Å²	60.8	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-39.4	-179.9	-68.9	-17.4	0	0	0	111	K159 A167	K159-D163 WeakPolarHBondContact O-CB 3.24Å; K159-D163 VanDerWaalsContact O-CG 3.29Å; K159-D163 PolarHBondContact O-N 3.49Å; D163-A167 VanDerWaalsContact O-CB 3.26Å; D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 3.2Å
164	A	97.8	Very high	95.7	Very high	36 Å²	36	64.2 Å²	64.2	30%	0.298	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-40.6	173.8	0	0	0	0	0	113.2	P10 E160 K161 M162 V168	P10-A164 HydrophobicContact CG-CB 4.28Å; E160-A164 WeakPolarHBondContact O-CB 3.39Å; E160-A164 PolarHBondContact O-N 3.03Å; E160-A164 VanDerWaalsContact O-N 3.17Å; K161-A164 PolarHBondContact O-N 3.25Å; M162-A164 VanDerWaalsContact C-N 3.25Å; M162-A164 PolarHBondContact O-N 2.84Å; A164-V168 WeakPolarHBondContact O-CG2 3.48Å; A164-V168 PolarHBondContact O-N 2.99Å; A164-V168 VanDerWaalsContact O-N 3.17Å
165	D	98	Very high	94.8	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-48.1	175.5	-71.9	-8.2	0	0	0	110.9	V9 P10 R77 W157 K161 M162 A167 V168 L169	V9-D165 HydrophobicContact CB-CB 4.38Å; V9-D165 WeakPolarHBondContact CB-OD1 3.48Å; V9-D165 HydrophobicContact CG1-CB 4.16Å; P10-D165 WeakPolarHBondContact CD-OD1 3.36Å; R77-D165 IonicContact CZ-OD1 3.88Å; R77-D165 IonicContact CZ-OD2 3.37Å; R77-D165 IonicContact NH1-OD2 3.04Å; R77-D165 PolarHBondContact NH1-OD2 2.87Å; R77-D165 IonicContact NH2-OD1 2.71Å; R77-D165 PolarHBondContact NH2-OD1 3.01Å; R77-D165 IonicContact NH2-OD2 2.77Å; R77-D165 PolarHBondContact NH2-OD2 3.01Å; W157-D165 PolarHBondContact NE1-OD2 2.99Å; K161-D165 VanDerWaalsContact O-CG 3.26Å; K161-D165 PolarHBondContact O-N 3.31Å; M162-D165 WeakPolarHBondContact O-CB 3.18Å; M162-D165 PolarHBondContact O-N 3.11Å; D165-A167 PolarHBondContact O-N 3.01Å; D165-V168 PolarHBondContact O-N 2.79Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 VanDerWaalsContact O-CG 3.26Å; D165-L169 WeakPolarHBondContact O-CG 3.36Å; D165-L169 PolarHBondContact O-N 3.25Å
166	I	97.7	Very high	93.4	Very high	58 Å²	58	68.5 Å²	68.5	30%	0.297	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-41.6	178.8	-61.2	-55.1	0	0	0	111.2	T106 M108 M162 L169 T170	T106-I166 HydrophobicContact CG2-CD1 4.12Å; M108-I166 HydrophobicContact CE-CD1 3.31Å; M108-I166 HydrophobicContact SD-CD1 4.44Å; M162-I166 HydrophobicContact CG-CG1 4.23Å; M162-I166 WeakPolarHBondContact O-CG1 3.06Å; M162-I166 PolarHBondContact O-N 2.98Å; M162-I166 HydrophobicContact SD-CD1 4.25Å; M162-I166 HydrophobicContact SD-CG1 4.19Å; I166-L169 PolarHBondContact O-N 3.1Å; I166-T170 VanDerWaalsContact O-CB 3.27Å; I166-T170 WeakPolarHBondContact O-CB 3.37Å; I166-T170 PolarHBondContact O-N 3.4Å; I166-T170 PolarHBondContact O-OG1 2.78Å
167	A	97.4	Very high	91.6	Very high	60 Å²	60	66.5 Å²	66.5	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-48.1	177.9	0	0	0	0	0	111.7	D163 D165 T170 E171	D163-A167 VanDerWaalsContact O-CB 3.26Å; D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 3.2Å; D165-A167 PolarHBondContact O-N 3.01Å; A167-T170 PolarHBondContact O-N 3.08Å; A167-E171 WeakPolarHBondContact O-CB 3.39Å; A167-E171 PolarHBondContact O-N 3.27Å
168	V	97.4	Very high	89.4	Confident	27 Å²	27	71.3 Å²	71.3	16%	0.164	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-46.5	177.5	173.9	0	0	0	0	111	I8 A164 D165 T170 E171 L172	I8-V168 VanDerWaalsContact O-CG1 3.23Å; I8-V168 WeakPolarHBondContact O-CG1 3.26Å; A164-V168 WeakPolarHBondContact O-CG2 3.48Å; A164-V168 PolarHBondContact O-N 2.99Å; A164-V168 VanDerWaalsContact O-N 3.17Å; D165-V168 PolarHBondContact O-N 2.79Å; V168-T170 VanDerWaalsContact C-N 3.28Å; V168-T170 PolarHBondContact O-N 2.62Å; V168-E171 PolarHBondContact O-N 3.5Å; V168-L172 HydrophobicContact CG1-CD1 3.88Å; V168-L172 HydrophobicContact CG1-CG 4.29Å; V168-L172 WeakPolarHBondContact O-CG 3.12Å; V168-L172 PolarHBondContact O-N 3.21Å
169	L	97	Very high	86.7	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-62.2	-38.2	180	-70.2	167.3	0	0	0	111.6	I8 V9 L102 M108 L113 A116 D165 I166 L172 L173	I8-L169 HydrophobicContact CG2-CD2 4.45Å; V9-L169 HydrophobicContact CG1-CD1 3.79Å; V9-L169 HydrophobicContact CG1-CD2 3.92Å; V9-L169 HydrophobicContact CG1-CG 3.63Å; L102-L169 HydrophobicContact CD1-CD2 4.27Å; L102-L169 HydrophobicContact CD2-CD1 4.15Å; M108-L169 HydrophobicContact CE-CB 3.84Å; M108-L169 HydrophobicContact CE-CD1 3.25Å; M108-L169 HydrophobicContact CE-CG 4.14Å; M108-L169 HydrophobicContact SD-CB 4.17Å; M108-L169 HydrophobicContact SD-CD1 4.49Å; L113-L169 HydrophobicContact CD2-CD1 4.28Å; A116-L169 HydrophobicContact CB-CB 4.38Å; A116-L169 HydrophobicContact CB-CD2 3.77Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 VanDerWaalsContact O-CG 3.26Å; D165-L169 WeakPolarHBondContact O-CG 3.36Å; D165-L169 PolarHBondContact O-N 3.25Å; I166-L169 PolarHBondContact O-N 3.1Å; L169-L172 PolarHBondContact O-N 2.95Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.45Å
170	T	95.2	Very high	83.6	Confident	68 Å²	68	70.3 Å²	70.3	42%	0.417	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-42.5	175.8	-56	0	0	0	0	112	I166 A167 V168 L172 L173	I166-T170 VanDerWaalsContact O-CB 3.27Å; I166-T170 WeakPolarHBondContact O-CB 3.37Å; I166-T170 PolarHBondContact O-N 3.4Å; I166-T170 PolarHBondContact O-OG1 2.78Å; A167-T170 PolarHBondContact O-N 3.08Å; V168-T170 VanDerWaalsContact C-N 3.28Å; V168-T170 PolarHBondContact O-N 2.62Å; T170-L172 VanDerWaalsContact C-N 3.3Å; T170-L172 PolarHBondContact O-N 2.65Å; T170-L173 WeakPolarHBondContact O-CB 3.15Å; T170-L173 PolarHBondContact O-N 2.88Å
171	E	94.8	Very high	80.8	Confident	115 Å²	115	64 Å²	64	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-42.5	174.2	-170.9	-160.4	147.3	0	0	111.3	A167 V168 L173 L174	A167-E171 WeakPolarHBondContact O-CB 3.39Å; A167-E171 PolarHBondContact O-N 3.27Å; V168-E171 PolarHBondContact O-N 3.5Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 3.12Å; E171-L174 WeakPolarHBondContact O-CB 3.23Å; E171-L174 PolarHBondContact O-N 2.84Å; E171-L174 VanDerWaalsContact O-N 3.13Å
172	L	93.1	Very high	77.8	Confident	10 Å²	10	64.8 Å²	64.8	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-65.5	-27.3	179.1	-67.5	170.7	0	0	0	113.1	A116 A120 V168 L169 T170 L174 K175	A116-L172 HydrophobicContact CB-CB 4.12Å; A116-L172 WeakPolarHBondContact O-CB 3.4Å; A120-L172 HydrophobicContact CB-CD1 3.69Å; A120-L172 HydrophobicContact CB-CD2 3.83Å; A120-L172 HydrophobicContact CB-CG 4.38Å; V168-L172 HydrophobicContact CG1-CD1 3.88Å; V168-L172 HydrophobicContact CG1-CG 4.29Å; V168-L172 WeakPolarHBondContact O-CG 3.12Å; V168-L172 PolarHBondContact O-N 3.21Å; L169-L172 PolarHBondContact O-N 2.95Å; T170-L172 VanDerWaalsContact C-N 3.3Å; T170-L172 PolarHBondContact O-N 2.65Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 2.89Å; L172-K175 HydrophobicContact CD2-CD 3.96Å; L172-K175 PolarHBondContact O-N 3.31Å
173	L	89.1	Confident	74.9	Confident	31 Å²	31	63.9 Å²	63.9	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-67.6	-28.4	174.3	-70.5	173.5	0	0	0	113	K112 R115 A116 L169 T170 E171 K175	K112-L173 HydrophobicContact CB-CD1 4.46Å; K112-L173 HydrophobicContact CB-CD2 4.35Å; K112-L173 HydrophobicContact CD-CD1 4.49Å; K112-L173 VanDerWaalsContact O-CD2 3.31Å; K112-L173 WeakPolarHBondContact O-CD2 3.46Å; R115-L173 HydrophobicContact CB-CD2 3.76Å; R115-L173 HydrophobicContact CG-CD2 3.78Å; A116-L173 HydrophobicContact CB-CD2 4.13Å; A116-L173 HydrophobicContact CB-CG 4.28Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.45Å; T170-L173 WeakPolarHBondContact O-CB 3.15Å; T170-L173 PolarHBondContact O-N 2.88Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 3.12Å; L173-K175 VanDerWaalsContact C-N 3.34Å
174	L	85.6	Confident	72	Confident	145 Å²	145	61.9 Å²	61.9	76%	0.759	37%	0.366	S	S	*	.	H	α-helix	trans	-81.7	-13.9	-178.9	-61.2	176	0	0	0	112.9	E171 L172	E171-L174 WeakPolarHBondContact O-CB 3.23Å; E171-L174 PolarHBondContact O-N 2.84Å; E171-L174 VanDerWaalsContact O-N 3.13Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 2.89Å
175	K	79.7	Confident	69	Low	89 Å²	89	65.7 Å²	65.7	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	-64.1	132.8	178.5	-71.6	-175.4	176.4	177.5	0	109.7	G119 L172 L173 E177	G119-K175 WeakPolarHBondContact O-CD 3.32Å; L172-K175 HydrophobicContact CD2-CD 3.96Å; L172-K175 PolarHBondContact O-N 3.31Å; L173-K175 VanDerWaalsContact C-N 3.34Å; K175-E177 PolarHBondContact O-N 2.93Å
176	P	66.6	Low	66.1	Low	98 Å²	98	68.3 Å²	68.3	64%	0.636	42%	0.417	S	S	*	.			trans	-58.3	138.9	176.2	23	-31.1	0	0	0	109.2	H178	P176-H178 PolarHBondContact O-N 2.91Å
177	E	57.2	Low	62.7	Low	100 Å²	100	69 Å²	69	47%	0.467	44%	0.439	S	S	.	.			trans	-64	101.2	177.3	-59.7	-162.2	138.9	0	0	109	K175 A179 K235	K175-E177 PolarHBondContact O-N 2.93Å; E177-A179 PolarHBondContact O-N 3.26Å; E177-K235 IonicContact OE1-NZ 2.95Å; E177-K235 PolarHBondContact OE1-NZ 3.05Å; E177-K235 IonicContact OE2-NZ 2.63Å; E177-K235 PolarHBondContact OE2-NZ 3.2Å
178	H	50.4	Low	59.6	Low	127 Å²	127	70.3 Å²	70.3	59%	0.588	43%	0.434	S	S	*	.			trans	-68	122.4	165.7	-69	-66.6	0	0	0	107.7	P176 T180	P176-H178 PolarHBondContact O-N 2.91Å; H178-T180 PolarHBondContact O-N 3.39Å
179	A	40	Very low	56.3	Low	103 Å²	103	73.7 Å²	73.7	85%	0.851	46%	0.455	S	S	*	.	S	Bend	trans	-66.7	78.9	179.5	0	0	0	0	0	111.1	E177	E177-A179 PolarHBondContact O-N 3.26Å
180	T	30.5	Very low	53	Low	78 Å²	78	75.1 Å²	75.1	48%	0.479	46%	0.462	S	S	.	.			trans	-148.8	74.6	175.6	-39.1	0	0	0	0	112	H178	H178-T180 PolarHBondContact O-N 3.39Å
181	C	36.8	Very low	49.9	Very low	10 Å²	10	76.7 Å²	76.7	7%	0.068	47%	0.474	C	S	.	.			trans	-138.5	120.3	159.9	-45	0	0	0	0	109.6	P122	P122-C181 PolarHBondContact O-SG 3.41Å; P122-C181 VanDerWaalsContact O-SG 3.36Å
182	I	35.1	Very low	46.8	Very low	71 Å²	71	78.8 Å²	78.8	36%	0.364	49%	0.489	S	S	.	.			trans	-134.5	110.2	-179	-54.2	-171.9	0	0	0	108.6	I231 Y232	I182-I231 HydrophobicContact CD1-CG2 3.41Å; I182-I231 VanDerWaalsContact CD1-CG2 3.41Å; I182-I231 HydrophobicContact CG2-CB 4.4Å; I182-I231 HydrophobicContact CG2-CG2 4.27Å; I182-Y232 WeakPolarHBondContact CD1-O 3.33Å; I182-Y232 WeakPolarHBondContact CG1-O 3.47Å; I182-Y232 VanDerWaalsContact CG2-O 3.31Å; I182-Y232 WeakPolarHBondContact CG2-O 3.47Å
183	G	36.4	Very low	43.7	Very low	26 Å²	26	84.4 Å²	84.4	27%	0.268	52%	0.519	S	S	.	.			trans	-157.7	135.1	174.6	0	0	0	0	0	109.1	P236	G183-P236 VanDerWaalsContact O-CG 3.25Å; G183-P236 WeakPolarHBondContact O-CG 3.34Å
184	A	35.7	Very low	41	Very low	46 Å²	46	87.9 Å²	87.9	38%	0.38	54%	0.541	S	S	.	.			trans	-86.7	154.7	-160.5	0	0	0	0	0	115.3	Y232	A184-Y232 HydrophobicContact CB-CD2 4.36Å; A184-Y232 HydrophobicContact CB-CE2 3.8Å
185	S	35.7	Very low	38.3	Very low	116 Å²	116	86.1 Å²	86.1	81%	0.811	54%	0.536	S	S	*	.			trans	63	127.1	147.2	58.2	0	0	0	0	121.4
186	G	36.7	Very low	35.8	Very low	56 Å²	56	88.3 Å²	88.3	58%	0.577	55%	0.552	S	S	*	*			trans	126.3	102	159.7	0	0	0	0	0	112.7	F188	G186-F188 PolarHBondContact O-N 2.91Å
187	G	27.5	Very low	34	Very low	74 Å²	74	93.2 Å²	93.2	76%	0.763	56%	0.559	S	S	*	*			trans	-67.4	112.8	178.1	0	0	0	0	0	111.6
188	F	31.9	Very low	32.6	Very low	86 Å²	86	94.8 Å²	94.8	38%	0.377	57%	0.571	S	S	.	*			trans	-119.5	112.9	164.7	-173.7	-96.7	0	0	0	109	G186 L190 R241	G186-F188 PolarHBondContact O-N 2.91Å; F188-L190 HydrophobicContact CD1-CD2 4.48Å; F188-L190 HydrophobicContact CD1-CG 4.37Å; F188-L190 HydrophobicContact CE1-CD2 3.89Å; F188-L190 HydrophobicContact CE1-CG 4.19Å; F188-R241 PolarHBondContact O-NH1 2.86Å
189	T	26.6	Very low	31.4	Very low	99 Å²	99	99.6 Å²	99.6	61%	0.607	59%	0.586	S	S	*	*			trans	-78.6	115.1	167.3	38.8	0	0	0	0	108.2
190	L	29	Very low	30.9	Very low	30 Å²	30	102.5 Å²	102.5	16%	0.157	59%	0.587	C	S	.	*			trans	-65.3	140.8	162.6	-76.9	161.3	0	0	0	107.7	I135 F188 D192 R241 I242	I135-L190 HydrophobicContact CD1-CD2 4.15Å; F188-L190 HydrophobicContact CD1-CD2 4.48Å; F188-L190 HydrophobicContact CD1-CG 4.37Å; F188-L190 HydrophobicContact CE1-CD2 3.89Å; F188-L190 HydrophobicContact CE1-CG 4.19Å; L190-D192 PolarHBondContact O-N 3.49Å; L190-R241 HydrophobicContact CD1-CB 4.13Å; L190-I242 HydrophobicContact CD1-CG1 3.87Å
191	P	30.1	Very low	30.8	Very low	101 Å²	101	105.7 Å²	105.7	66%	0.656	60%	0.601	S	S	*	*			trans	-59.9	130.2	173.2	-17.1	29.3	0	0	0	110.1	D193	P191-D193 PolarHBondContact O-N 3.28Å
192	D	28.3	Very low	30.5	Very low	159 Å²	159	112.6 Å²	112.6	85%	0.85	64%	0.637	S	S	*	*	S	Bend	trans	-74.9	76.4	167.9	-64.6	-37.1	0	0	0	108.3	L190	L190-D192 PolarHBondContact O-N 3.49Å
193	D	28.8	Very low	30.3	Very low	128 Å²	128	115.7 Å²	115.7	68%	0.684	65%	0.654	S	S	*	*			trans	176.8	94.8	155.9	-109	-23.9	0	0	0	110.4	P191	P191-D193 PolarHBondContact O-N 3.28Å
194	V	33	Very low	30.1	Very low	103 Å²	103	121.5 Å²	121.5	62%	0.624	68%	0.68	S	S	*	*			trans	-147.7	70.9	147.9	-176.4	0	0	0	0	107.7	Y197	V194-Y197 HydrophobicContact CB-CE2 4.17Å; V194-Y197 HydrophobicContact CG1-CD2 3.18Å; V194-Y197 HydrophobicContact CG1-CE2 3.16Å; V194-Y197 HydrophobicContact CG1-CG 4.37Å; V194-Y197 HydrophobicContact CG2-CE2 4Å
195	T	27.9	Very low	29.9	Very low	109 Å²	109	126 Å²	126	67%	0.669	70%	0.697	S	S	*	*			trans	-83.5	136.8	151.7	49	0	0	0	0	107.8
196	D	27.1	Very low	29.9	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	70%	0.702	S	S	*	*			trans	60.8	96	176.3	-89.3	-17.7	0	0	0	116.8
197	Y	28.9	Very low	29.4	Very low	201 Å²	201	135.7 Å²	135.7	79%	0.788	72%	0.715	S	S	*	*			trans	-116.5	88.6	145.6	-73.9	-60.7	0	0	0	109.5	V194	V194-Y197 HydrophobicContact CB-CE2 4.17Å; V194-Y197 HydrophobicContact CG1-CD2 3.18Å; V194-Y197 HydrophobicContact CG1-CE2 3.16Å; V194-Y197 HydrophobicContact CG1-CG 4.37Å; V194-Y197 HydrophobicContact CG2-CE2 4Å
198	N	28.2	Very low	29.7	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	72%	0.721	S	S	*	*			trans	-55.7	137.8	153.4	-91.5	-39.2	0	0	0	109.7	D200	N198-D200 PolarHBondContact O-N 3.4Å; N198-D200 VanDerWaalsContact O-N 3.16Å
199	Y	26	Very low	29.6	Very low	228 Å²	228	140.3 Å²	140.3	89%	0.894	74%	0.74	S	S	*	*			trans	-67.8	103.3	173.9	-140.6	-96.4	0	0	0	108.2
200	D	29.8	Very low	30	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	75%	0.752	S	S	*	*			trans	-137.4	131.5	164	-98.2	-32.7	0	0	0	112	N198	N198-D200 PolarHBondContact O-N 3.4Å; N198-D200 VanDerWaalsContact O-N 3.16Å
201	N	28.5	Very low	30.1	Very low	145 Å²	145	148.4 Å²	148.4	78%	0.775	78%	0.779	S	S	*	*			trans	-99.2	112.6	-164.3	-169.4	17.5	0	0	0	107.4
202	N	30.4	Very low	30.3	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	78%	0.78	S	S	*	*			trans	-166.7	139.3	154.6	-105.2	-30.7	0	0	0	115.5
203	N	29.6	Very low	30.5	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	77%	0.771	S	S	*	*			trans	-52.2	146.1	177	-68	-51.5	0	0	0	114.7
204	N	33.3	Very low	30.7	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	78%	0.778	S	S	*	*				170.6	127.2	110.6	-84.7	-33.5	0	0	0	113.5
205	N	31.2	Very low	30.7	Very low	141 Å²	141	149 Å²	149	75%	0.754	78%	0.78	S	S	*	*			trans	9.5	133.4	147.2	-60.1	-27.6	0	0	0	120.3
206	Q	34.9	Very low	31	Very low	196 Å²	196	151.2 Å²	151.2	92%	0.916	78%	0.782	S	S	*	*				178.8	145.2	103.3	-93.8	172.7	21.9	0	0	113.5
207	Q	27.6	Very low	31.2	Very low	179 Å²	179	153.1 Å²	153.1	84%	0.836	79%	0.787	S	S	*	*			trans	-68	152.7	177.4	-85.3	145.9	-48	0	0	114
208	T	32	Very low	31.3	Very low	147 Å²	147	151.5 Å²	151.5	90%	0.902	79%	0.792	S	S	*	*				-165.8	137.3	125.9	41.8	0	0	0	0	112.5
209	S	29.7	Very low	31.4	Very low	110 Å²	110	151 Å²	151	77%	0.769	80%	0.798	S	S	*	*			trans	-83.1	165.4	178.1	48.1	0	0	0	0	114.2
210	L	34.9	Very low	31.7	Very low	164 Å²	164	149.3 Å²	149.3	86%	0.859	80%	0.799	S	S	*	*			trans	169.7	101.9	141.9	-87.2	155.6	0	0	0	108.1
211	D	32.9	Very low	31.7	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	80%	0.797	S	S	*	*				77.2	123.6	84.2	-99.9	4.3	0	0	0	117.8
212	N	34.4	Very low	31.7	Very low	129 Å²	129	150.8 Å²	150.8	69%	0.69	80%	0.798	S	S	*	*			trans	86.9	106.4	135.2	-73.4	-28.3	0	0	0	124.1
213	S	32.1	Very low	31.7	Very low	93 Å²	93	150.7 Å²	150.7	65%	0.65	80%	0.797	S	S	*	*				96.9	144.2	113.7	-52.5	0	0	0	0	121.9
214	L	33.1	Very low	31.6	Very low	161 Å²	161	152.4 Å²	152.4	84%	0.843	80%	0.803	S	S	*	*			trans	91.3	140.7	162.2	-64.1	144.3	0	0	0	116.6
215	N	32.1	Very low	31.4	Very low	122 Å²	122	154 Å²	154	65%	0.652	80%	0.803	S	S	*	*			cis	-175.6	156.3	-26.7	-142.4	-8.6	0	0	0	105.6
216	Q	34.2	Very low	31.3	Very low	154 Å²	154	153.3 Å²	153.3	72%	0.72	81%	0.806	S	S	*	*			trans	74.5	103.6	152.2	-67.6	169.6	18.9	0	0	121.8
217	Q	30.9	Very low	31.3	Very low	175 Å²	175	148.4 Å²	148.4	82%	0.818	79%	0.79	S	S	*	*				39.1	117.2	118.7	-66.2	176.9	-17	0	0	119.9
218	N	31.8	Very low	31.6	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	79%	0.787	S	S	*	*				-171	129.2	116.3	-101.6	-29.4	0	0	0	113.3
219	S	29.7	Very low	31.5	Very low	122 Å²	122	145 Å²	145	85%	0.853	77%	0.771	S	S	*	*			trans	-81.7	123.5	171.7	-65.7	0	0	0	0	110.7
220	Q	33	Very low	31.6	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	76%	0.755	S	S	*	*			trans	-136.2	112.5	158.6	-80	-175.7	-14.2	0	0	110.4
221	K	28.9	Very low	31.5	Very low	191 Å²	191	142.1 Å²	142.1	83%	0.83	75%	0.749	S	S	*	*			trans	-62.5	133.4	157.3	-72.3	176.1	173	176.5	0	108
222	N	29.6	Very low	31.6	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	74%	0.736	S	S	*	*				156.2	130.6	126.7	-75.9	-23.5	0	0	0	113.7
223	N	29	Very low	31.8	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	74%	0.741	S	S	*	*			trans	55.2	87.8	156.8	-73.6	-7.4	0	0	0	119.1	K225	N223-K225 PolarHBondContact O-N 3.01Å; N223-K225 VanDerWaalsContact O-N 3.11Å
224	M	27.5	Very low	32.4	Very low	171 Å²	171	141 Å²	141	84%	0.842	73%	0.734	S	S	*	*			trans	-64.9	109.1	156.7	-76.2	-179.3	101.9	0	0	109.7
225	K	29	Very low	33.2	Very low	183 Å²	183	135.1 Å²	135.1	80%	0.796	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.9	144.6	160.5	-71.4	-179.8	178.2	179.2	0	108.7	N223 T227	N223-K225 PolarHBondContact O-N 3.01Å; N223-K225 VanDerWaalsContact O-N 3.11Å; K225-T227 PolarHBondContact O-N 3.49Å
226	P	30.8	Very low	34.4	Very low	126 Å²	126	130 Å²	130	82%	0.818	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-58.3	125	174.1	23.6	-30.5	0	0	0	109.1	S228	P226-S228 PolarHBondContact O-N 2.73Å
227	T	34.5	Very low	35.3	Very low	93 Å²	93	127.6 Å²	127.6	57%	0.571	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.7	176.4	45.4	0	0	0	0	108.9	K225 Y229	K225-T227 PolarHBondContact O-N 3.49Å; T227-Y229 WeakPolarHBondContact O-CD2 3.42Å; T227-Y229 PolarHBondContact O-N 3.09Å; T227-Y229 WeakPolarHBondContact OG1-CE2 3.38Å
228	S	32.8	Very low	36.7	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	64%	0.635	S	S	*	*			trans	-70	110	175.9	58.2	0	0	0	0	109.1	P226	P226-S228 PolarHBondContact O-N 2.73Å
229	Y	29.5	Very low	38	Very low	143 Å²	143	113.1 Å²	113.1	56%	0.561	59%	0.594	S	S	*	*			trans	-83.9	124.2	170.3	-69	-82.8	0	0	0	109.5	T227	T227-Y229 WeakPolarHBondContact O-CD2 3.42Å; T227-Y229 PolarHBondContact O-N 3.09Å; T227-Y229 WeakPolarHBondContact OG1-CE2 3.38Å
230	T	31.8	Very low	39.5	Very low	72 Å²	72	112.8 Å²	112.8	44%	0.442	57%	0.574	S	S	.	*			trans	-83	134.5	172.4	-58.4	0	0	0	0	109.6	Y232	T230-Y232 HydrophobicContact CG2-CD2 4.26Å; T230-Y232 HydrophobicContact CG2-CE1 3.99Å; T230-Y232 HydrophobicContact CG2-CE2 3.67Å
231	I	33.7	Very low	40.9	Very low	140 Å²	140	107.6 Å²	107.6	72%	0.718	55%	0.546	S	S	*	.			trans	-87.4	107.5	178.8	-60.1	-178.8	0	0	0	109.6	I182	I182-I231 HydrophobicContact CD1-CG2 3.41Å; I182-I231 VanDerWaalsContact CD1-CG2 3.41Å; I182-I231 HydrophobicContact CG2-CB 4.4Å; I182-I231 HydrophobicContact CG2-CG2 4.27Å
232	Y	34.7	Very low	42.5	Very low	118 Å²	118	99 Å²	99	46%	0.463	51%	0.509	S	S	.	.			trans	-103.5	133	172	-62.2	-77.2	0	0	0	112.5	I182 A184 T230 N234	I182-Y232 WeakPolarHBondContact CD1-O 3.33Å; I182-Y232 WeakPolarHBondContact CG1-O 3.47Å; I182-Y232 VanDerWaalsContact CG2-O 3.31Å; I182-Y232 WeakPolarHBondContact CG2-O 3.47Å; A184-Y232 HydrophobicContact CB-CD2 4.36Å; A184-Y232 HydrophobicContact CB-CE2 3.8Å; T230-Y232 HydrophobicContact CG2-CD2 4.26Å; T230-Y232 HydrophobicContact CG2-CE1 3.99Å; T230-Y232 HydrophobicContact CG2-CE2 3.67Å; Y232-N234 PolarHBondContact O-N 3.43Å
233	P	38.7	Very low	43.9	Very low	120 Å²	120	92.7 Å²	92.7	78%	0.779	48%	0.475	S	S	*	.	S	Bend	trans	-68.5	6	-176.6	27.2	-34.8	0	0	0	115.9
234	N	44.6	Very low	45.6	Very low	95 Å²	95	87.5 Å²	87.5	51%	0.508	45%	0.453	S	S	.	.	S	Bend	trans	-131	139.5	-168.8	-78.2	-48.5	0	0	0	112.3	Y232 R240	Y232-N234 PolarHBondContact O-N 3.43Å; N234-R240 VanDerWaalsContact CG-NH2 3.33Å; N234-R240 PolarHBondContact OD1-NH2 3.17Å
235	K	51.2	Low	47	Very low	37 Å²	37	82.9 Å²	82.9	16%	0.161	43%	0.43	C	S	.	.			trans	-51.1	137.3	170.6	-73.9	-179.2	175.7	-179	0	110.2	E177 I239 R240 L243	E177-K235 IonicContact OE1-NZ 2.95Å; E177-K235 PolarHBondContact OE1-NZ 3.05Å; E177-K235 IonicContact OE2-NZ 2.63Å; E177-K235 PolarHBondContact OE2-NZ 3.2Å; K235-I239 HydrophobicContact CD-CG2 4.4Å; K235-R240 HydrophobicContact CB-CG 3.85Å; K235-R240 PolarHBondContact O-NE 2.73Å; K235-L243 HydrophobicContact CD-CD1 4.21Å
236	P	55.7	Low	48.2	Very low	15 Å²	15	74.9 Å²	74.9	10%	0.097	40%	0.397	C	S	.	.			trans	-55.3	143	174.3	-22.9	33.7	0	0	0	111.2	G183 H238 I239 R240	G183-P236 VanDerWaalsContact O-CG 3.25Å; G183-P236 WeakPolarHBondContact O-CG 3.34Å; P236-H238 WeakPolarHBondContact CB-CE1 3.33Å; P236-H238 PolarHBondContact O-N 3.28Å; P236-H238 VanDerWaalsContact O-N 3.13Å; P236-I239 PolarHBondContact O-N 2.88Å; P236-R240 PolarHBondContact O-N 2.95Å; P236-R240 VanDerWaalsContact O-N 3.15Å
237	L	54.5	Low	49.2	Very low	104 Å²	104	74.2 Å²	74.2	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-51.9	-37.4	-177.8	-83.7	161.2	0	0	0	113.2	R240 R241	L237-R240 PolarHBondContact O-N 3.39Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 3.21Å
238	H	60	Low	50.2	Low	31 Å²	31	74.9 Å²	74.9	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-39.1	-179.6	64.6	-99.3	0	0	0	112.5	L131 P236 R241 I242	L131-H238 WeakPolarHBondContact CD1-CD2 3.37Å; P236-H238 WeakPolarHBondContact CB-CE1 3.33Å; P236-H238 PolarHBondContact O-N 3.28Å; P236-H238 VanDerWaalsContact O-N 3.13Å; H238-R241 PolarHBondContact O-N 2.97Å; H238-I242 WeakPolarHBondContact O-CG1 3.3Å; H238-I242 PolarHBondContact O-N 3Å; H238-I242 VanDerWaalsContact O-N 3.1Å
239	I	59.8	Low	51.2	Low	7 Å²	7	74.3 Å²	74.3	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-41.4	174.9	-65.3	-170.6	0	0	0	110.2	C125 K235 P236 R241 I242 L243	C125-I239 HydrophobicContact CB-CD1 4.35Å; C125-I239 VanDerWaalsContact SG-CD1 3.51Å; K235-I239 HydrophobicContact CD-CG2 4.4Å; P236-I239 PolarHBondContact O-N 2.88Å; I239-R241 VanDerWaalsContact C-N 3.26Å; I239-R241 PolarHBondContact O-N 3.49Å; I239-I242 PolarHBondContact O-N 2.78Å; I239-L243 HydrophobicContact CG2-CD1 3.73Å; I239-L243 HydrophobicContact CG2-CG 4.14Å; I239-L243 WeakPolarHBondContact O-CB 3.48Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.38Å; I239-L243 PolarHBondContact O-N 2.8Å
240	R	60.9	Low	52.1	Low	115 Å²	115	71.9 Å²	71.9	43%	0.434	37%	0.368	S	S	.	.	H	α-helix	trans	-57.7	-41	176.6	-71.1	-174.8	175.6	175.7	-3.4	111.9	N234 K235 P236 L237 L243 A244	N234-R240 VanDerWaalsContact CG-NH2 3.33Å; N234-R240 PolarHBondContact OD1-NH2 3.17Å; K235-R240 HydrophobicContact CB-CG 3.85Å; K235-R240 PolarHBondContact O-NE 2.73Å; P236-R240 PolarHBondContact O-N 2.95Å; P236-R240 VanDerWaalsContact O-N 3.15Å; L237-R240 PolarHBondContact O-N 3.39Å; R240-L243 PolarHBondContact O-N 3.22Å; R240-A244 WeakPolarHBondContact O-CB 2.76Å; R240-A244 PolarHBondContact O-N 2.74Å
241	R	62.4	Low	52.9	Low	84 Å²	84	75 Å²	75	32%	0.317	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-45.8	177.5	-73.1	178.3	174.4	138.7	0.6	112.8	F188 L190 L237 H238 I239 L243 A244 Q245	F188-R241 PolarHBondContact O-NH1 2.86Å; L190-R241 HydrophobicContact CD1-CB 4.13Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 3.21Å; H238-R241 PolarHBondContact O-N 2.97Å; I239-R241 VanDerWaalsContact C-N 3.26Å; I239-R241 PolarHBondContact O-N 3.49Å; R241-L243 VanDerWaalsContact C-N 3.26Å; R241-L243 PolarHBondContact O-N 3.22Å; R241-A244 PolarHBondContact O-N 2.98Å; R241-Q245 WeakPolarHBondContact O-CG 3.44Å; R241-Q245 PolarHBondContact O-N 3.32Å; R241-Q245 VanDerWaalsContact O-N 3.17Å
242	I	62	Low	53.6	Low	10 Å²	10	71.3 Å²	71.3	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-39.4	176.7	-68.2	169.8	0	0	0	111.1	P111 L131 L190 H238 I239	P111-I242 HydrophobicContact CB-CG2 3.81Å; P111-I242 HydrophobicContact CG-CG2 3.96Å; L131-I242 HydrophobicContact CD1-CD1 3.93Å; L131-I242 HydrophobicContact CD2-CD1 4.35Å; L190-I242 HydrophobicContact CD1-CG1 3.87Å; H238-I242 WeakPolarHBondContact O-CG1 3.3Å; H238-I242 PolarHBondContact O-N 3Å; H238-I242 VanDerWaalsContact O-N 3.1Å; I239-I242 PolarHBondContact O-N 2.78Å
243	L	58.2	Low	54.3	Low	16 Å²	16	69.3 Å²	69.3	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-72.6	-39.1	178.4	-66.3	176	0	0	0	112.4	R115 K235 I239 R240 R241 Q245 S246	R115-L243 HydrophobicContact CB-CD2 4.16Å; K235-L243 HydrophobicContact CD-CD1 4.21Å; I239-L243 HydrophobicContact CG2-CD1 3.73Å; I239-L243 HydrophobicContact CG2-CG 4.14Å; I239-L243 WeakPolarHBondContact O-CB 3.48Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.38Å; I239-L243 PolarHBondContact O-N 2.8Å; R240-L243 PolarHBondContact O-N 3.22Å; R241-L243 VanDerWaalsContact C-N 3.26Å; R241-L243 PolarHBondContact O-N 3.22Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 3.36Å; L243-S246 WeakPolarHBondContact O-CB 3.45Å; L243-S246 PolarHBondContact O-N 2.81Å; L243-S246 PolarHBondContact O-OG 3.12Å
244	A	65.5	Low	54.8	Low	45 Å²	45	67.4 Å²	67.4	37%	0.372	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-40.8	177.5	0	0	0	0	0	112.4	R240 R241 S246 E247 D248	R240-A244 WeakPolarHBondContact O-CB 2.76Å; R240-A244 PolarHBondContact O-N 2.74Å; R241-A244 PolarHBondContact O-N 2.98Å; A244-S246 PolarHBondContact O-N 3.04Å; A244-E247 PolarHBondContact O-N 2.93Å; A244-D248 PolarHBondContact O-N 3.12Å
245	Q	57.7	Low	55.1	Low	74 Å²	74	67.1 Å²	67.1	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-19.1	175.9	-70.5	176.2	-18.3	0	0	113.8	R241 L243 N249	R241-Q245 WeakPolarHBondContact O-CG 3.44Å; R241-Q245 PolarHBondContact O-N 3.32Å; R241-Q245 VanDerWaalsContact O-N 3.17Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 3.36Å; Q245-N249 PolarHBondContact O-ND2 3.48Å
246	S	52.8	Low	55.2	Low	15 Å²	15	70.1 Å²	70.1	11%	0.105	39%	0.392	C	S	.	.	H	α-helix	trans	-84.6	-21	175.5	75.9	0	0	0	0	113.8	L243 A244	L243-S246 WeakPolarHBondContact O-CB 3.45Å; L243-S246 PolarHBondContact O-N 2.81Å; L243-S246 PolarHBondContact O-OG 3.12Å; A244-S246 PolarHBondContact O-N 3.04Å
247	E	52.8	Low	55	Low	112 Å²	112	74 Å²	74	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-81.2	-39.3	179.5	-65.9	-176	160.4	0	0	111.1	A244 N249 N250 Q251	A244-E247 PolarHBondContact O-N 2.93Å; E247-N249 VanDerWaalsContact C-N 3.34Å; E247-N249 PolarHBondContact O-N 3.17Å; E247-N250 PolarHBondContact O-N 3.27Å; E247-Q251 PolarHBondContact O-N 3.18Å
248	D	55.5	Low	54.5	Low	108 Å²	108	74.4 Å²	74.4	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-37.8	177.6	-66.6	-26.4	0	0	0	112.2	A244 N250 Q251 A252	A244-D248 PolarHBondContact O-N 3.12Å; D248-N250 VanDerWaalsContact C-N 3.31Å; D248-N250 PolarHBondContact O-N 3.15Å; D248-Q251 PolarHBondContact O-N 3.23Å; D248-A252 WeakPolarHBondContact O-CB 2.94Å; D248-A252 PolarHBondContact O-N 3.21Å
249	N	52.4	Low	53.9	Low	99 Å²	99	78.3 Å²	78.3	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-69.4	-23.6	178.1	-77.3	-48.4	0	0	0	113.9	Q245 E247 S253	Q245-N249 PolarHBondContact O-ND2 3.48Å; E247-N249 VanDerWaalsContact C-N 3.34Å; E247-N249 PolarHBondContact O-N 3.17Å; N249-S253 PolarHBondContact O-OG 3.11Å
250	N	48.3	Very low	52.8	Low	93 Å²	93	90.6 Å²	90.6	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-87.4	-23.4	175.3	-78.4	-20.5	0	0	0	112.7	E247 D248 S253 S254	E247-N250 PolarHBondContact O-N 3.27Å; D248-N250 VanDerWaalsContact C-N 3.31Å; D248-N250 PolarHBondContact O-N 3.15Å; N250-S253 PolarHBondContact O-OG 2.78Å; N250-S254 PolarHBondContact O-OG 3.19Å
251	Q	48.9	Very low	52.4	Low	137 Å²	137	89.4 Å²	89.4	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-82.5	-32.7	173.2	-73.1	-175.4	2.6	0	0	112.6	E247 D248 S253 S254 S255	E247-Q251 PolarHBondContact O-N 3.18Å; D248-Q251 PolarHBondContact O-N 3.23Å; Q251-S253 VanDerWaalsContact C-N 3.35Å; Q251-S253 PolarHBondContact O-N 3.2Å; Q251-S254 PolarHBondContact O-N 3.21Å; Q251-S254 PolarHBondContact O-OG 3.27Å; Q251-S255 PolarHBondContact O-N 2.73Å; Q251-S255 PolarHBondContact O-OG 3.4Å
252	A	49.3	Very low	51.8	Low	63 Å²	63	89.7 Å²	89.7	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-33.2	174.9	0	0	0	0	0	113	D248 S255	D248-A252 WeakPolarHBondContact O-CB 2.94Å; D248-A252 PolarHBondContact O-N 3.21Å; A252-S255 PolarHBondContact O-OG 2.92Å
253	S	49.1	Very low	51.3	Low	76 Å²	76	94.1 Å²	94.1	53%	0.531	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-14.9	179.2	48.9	0	0	0	0	114.6	N249 N250 Q251	N249-S253 PolarHBondContact O-OG 3.11Å; N250-S253 PolarHBondContact O-OG 2.78Å; Q251-S253 VanDerWaalsContact C-N 3.35Å; Q251-S253 PolarHBondContact O-N 3.2Å
254	S	50	Low	50.9	Low	79 Å²	79	98.7 Å²	98.7	55%	0.552	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-12	177	48.6	0	0	0	0	113.9	N250 Q251	N250-S254 PolarHBondContact O-OG 3.19Å; Q251-S254 PolarHBondContact O-N 3.21Å; Q251-S254 PolarHBondContact O-OG 3.27Å
255	S	51.1	Low	49.9	Very low	90 Å²	90	102.1 Å²	102.1	63%	0.629	61%	0.607	S	S	*	*	S	Bend	trans	-93.7	-11.1	179.4	46.3	0	0	0	0	114.4	Q251 A252	Q251-S255 PolarHBondContact O-N 2.73Å; Q251-S255 PolarHBondContact O-OG 3.4Å; A252-S255 PolarHBondContact O-OG 2.92Å
256	S	51.7	Low	49.4	Very low	99 Å²	99	103.9 Å²	103.9	69%	0.692	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	6.4	-179.6	65.1	0	0	0	0	115.3
257	S	51.3	Low	49.2	Very low	97 Å²	97	110.3 Å²	110.3	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	16.6	179.6	62.6	0	0	0	0	114.5
258	S	45.8	Very low	48.9	Very low	112 Å²	112	110.2 Å²	110.2	78%	0.783	67%	0.672	S	S	*	*			trans	-133.6	68.3	175.7	-74.3	0	0	0	0	111.6
259	S	45.8	Very low	48.4	Very low	113 Å²	113	110.3 Å²	110.3	79%	0.79	68%	0.68	S	S	*	*			trans	-143.8	130.2	152.8	61.1	0	0	0	0	108.4
260	M	36.7	Very low	48	Very low	266 Å²	266	111.4 Å²	111.4	100%	1.31	69%	0.693	S	S	*	*			trans	-50	0	174.2	-69.3	172.4	147.4	0	0	113.8

Retrieved 260 of 260 residues in 337.7 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).