G4LYJ5_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4LYJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	27	Very low	196 Å²	196	104.2 Å²	104.2	97%	0.966	53%	0.531	S	S	*	.				0	97.2	0	-163.5	163.9	94.9	0	0	106.5	I3	M1-I3 HydrophobicContact CE-CD1 3.99Å; M1-I3 HydrophobicContact CE-CG1 4.34Å; M1-I3 PolarHBondContact O-N 3.25Å
2	N	22.3	Very low	27.2	Very low	170 Å²	170	97.3 Å²	97.3	91%	0.909	50%	0.502	S	S	*	.			trans	-81.6	104.8	-177.4	-78.1	-8	0	0	0	108.4
3	I	24.7	Very low	27.2	Very low	76 Å²	76	93.2 Å²	93.2	39%	0.39	48%	0.481	S	S	.	.			trans	-92.1	119.8	177.3	-55.8	170	0	0	0	106.2	M1 H5	M1-I3 HydrophobicContact CE-CD1 3.99Å; M1-I3 HydrophobicContact CE-CG1 4.34Å; M1-I3 PolarHBondContact O-N 3.25Å; I3-H5 WeakPolarHBondContact CG2-CE1 3.32Å
4	L	23.7	Very low	27.3	Very low	112 Å²	112	93.6 Å²	93.6	59%	0.586	47%	0.473	S	S	*	.			trans	-106.8	111.5	177.2	-165.3	65.6	0	0	0	107.6	F6	L4-F6 HydrophobicContact CB-CE2 4.41Å; L4-F6 HydrophobicContact CD2-CE2 3.38Å; L4-F6 HydrophobicContact CD2-CZ 3.56Å; L4-F6 HydrophobicContact CG-CD2 4.31Å; L4-F6 HydrophobicContact CG-CE2 3.56Å; L4-F6 HydrophobicContact CG-CZ 3.89Å
5	H	24.5	Very low	27.3	Very low	77 Å²	77	93 Å²	93	36%	0.356	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122	179.4	-66.7	75.9	0	0	0	110	I3 Y7 R14	I3-H5 WeakPolarHBondContact CG2-CE1 3.32Å; H5-Y7 HydrophobicContact CB-CD2 4.42Å; H5-Y7 HydrophobicContact CB-CE2 3.81Å; H5-R14 VanDerWaalsContact NE2-CZ 3.34Å; H5-R14 PolarHBondContact NE2-NE 3.31Å; H5-R14 PolarHBondContact NE2-NH2 3.21Å
6	F	25	Very low	27.5	Very low	110 Å²	110	89.9 Å²	89.9	48%	0.482	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.4	166.4	-67.8	-81.7	0	0	0	109.3	L4 L13	L4-F6 HydrophobicContact CB-CE2 4.41Å; L4-F6 HydrophobicContact CD2-CE2 3.38Å; L4-F6 HydrophobicContact CD2-CZ 3.56Å; L4-F6 HydrophobicContact CG-CD2 4.31Å; L4-F6 HydrophobicContact CG-CE2 3.56Å; L4-F6 HydrophobicContact CG-CZ 3.89Å; F6-L13 HydrophobicContact CB-CB 4.45Å; F6-L13 PolarHBondContact O-N 3.45Å
7	Y	26.1	Very low	28.1	Very low	155 Å²	155	90.5 Å²	90.5	61%	0.608	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	86.4	173.3	-64.8	-85.8	0	0	0	108.1	H5 M118	H5-Y7 HydrophobicContact CB-CD2 4.42Å; H5-Y7 HydrophobicContact CB-CE2 3.81Å; Y7-M118 HydrophobicContact CD1-CE 4.31Å; Y7-M118 HydrophobicContact CE1-CE 3.69Å; Y7-M118 HydrophobicContact CE1-SD 3.61Å
8	L	26.4	Very low	28.4	Very low	59 Å²	59	91.9 Å²	91.9	31%	0.309	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.3	164	-84.4	156.9	0	0	0	106.8	G10 V11 F101 W106	L8-G10 PolarHBondContact O-N 3.03Å; L8-V11 PolarHBondContact O-N 2.93Å; L8-F101 HydrophobicContact CD1-CE2 3.99Å; L8-F101 HydrophobicContact CD1-CZ 4.05Å; L8-W106 HydrophobicContact CD2-CH2 4.12Å; L8-W106 HydrophobicContact CD2-CZ3 3.83Å
9	L	33.2	Very low	28.6	Very low	107 Å²	107	93.7 Å²	93.7	56%	0.56	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-26.2	99.8	179.2	-126.8	83.4	0	0	0	112.3	L111	L9-L111 HydrophobicContact CD1-CD1 4.08Å
10	G	33	Very low	28.7	Very low	40 Å²	40	91.7 Å²	91.7	41%	0.412	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-11.3	176.1	0	0	0	0	0	117.7	L8 N23	L8-G10 PolarHBondContact O-N 3.03Å; G10-N23 WeakPolarHBondContact O-CB 3.38Å
11	V	28.8	Very low	29	Very low	44 Å²	44	88.7 Å²	88.7	27%	0.267	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	102.8	178.8	-166.4	0	0	0	0	110.1	L8 L13	L8-V11 PolarHBondContact O-N 2.93Å; V11-L13 HydrophobicContact CG1-CD2 4.11Å; V11-L13 HydrophobicContact CG1-CG 3.88Å; V11-L13 PolarHBondContact O-N 3.08Å
12	A	29.1	Very low	29.6	Very low	21 Å²	21	81.4 Å²	81.4	17%	0.174	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.1	166.4	0	0	0	0	0	108.4	R14 M118	A12-R14 PolarHBondContact O-N 3.1Å; A12-M118 HydrophobicContact CB-CE 3.62Å
13	L	27.6	Very low	30.5	Very low	45 Å²	45	74.6 Å²	74.6	24%	0.236	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.8	177.4	-73.2	156.4	0	0	0	108.7	F6 V11 F20	F6-L13 HydrophobicContact CB-CB 4.45Å; F6-L13 PolarHBondContact O-N 3.45Å; V11-L13 HydrophobicContact CG1-CD2 4.11Å; V11-L13 HydrophobicContact CG1-CG 3.88Å; V11-L13 PolarHBondContact O-N 3.08Å; L13-F20 HydrophobicContact CD2-CE1 4.43Å; L13-F20 HydrophobicContact CD2-CE2 3.53Å; L13-F20 HydrophobicContact CD2-CZ 3.36Å
14	R	29.5	Very low	31.4	Very low	99 Å²	99	71.4 Å²	71.4	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	102.4	164.5	-79.3	-168.2	-173.6	-143.9	4.4	108.5	H5 A12 V21	H5-R14 VanDerWaalsContact NE2-CZ 3.34Å; H5-R14 PolarHBondContact NE2-NE 3.31Å; H5-R14 PolarHBondContact NE2-NH2 3.21Å; A12-R14 PolarHBondContact O-N 3.1Å; R14-V21 HydrophobicContact CB-CB 4.44Å; R14-V21 PolarHBondContact N-O 3.12Å; R14-V21 PolarHBondContact O-N 3.49Å
15	V	26.7	Very low	32.3	Very low	84 Å²	84	66.9 Å²	66.9	51%	0.509	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	105.7	172.3	-171.2	0	0	0	0	107.8	F20	V15-F20 HydrophobicContact CG2-CD2 4.34Å; V15-F20 HydrophobicContact CG2-CE2 4.4Å
16	S	31.1	Very low	33.2	Very low	44 Å²	44	65.3 Å²	65.3	31%	0.308	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.1	159.7	74.8	0	0	0	0	108.1	H18 R19	S16-H18 PolarHBondContact O-N 3.12Å; S16-R19 PolarHBondContact N-O 2.83Å; S16-R19 PolarHBondContact O-N 3.14Å; S16-R19 PolarHBondContact OG-N 2.69Å; S16-R19 VanDerWaalsContact OG-N 3.16Å; S16-R19 PolarHBondContact OG-O 3.03Å
17	S	37.7	Very low	34	Very low	100 Å²	100	62.4 Å²	62.4	70%	0.699	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.3	-178.7	41.1	0	0	0	0	115.1
18	H	32.2	Very low	34.7	Very low	116 Å²	116	56.4 Å²	56.4	54%	0.537	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-18.2	-174.7	-55.4	85.1	0	0	0	114.1	S16	S16-H18 PolarHBondContact O-N 3.12Å
19	R	32	Very low	35.3	Very low	126 Å²	126	54.4 Å²	54.4	48%	0.475	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.1	-173.2	-64.9	-172.9	176.4	169.6	3.2	110.9	S16 T82 N84	S16-R19 PolarHBondContact N-O 2.83Å; S16-R19 PolarHBondContact O-N 3.14Å; S16-R19 PolarHBondContact OG-N 2.69Å; S16-R19 VanDerWaalsContact OG-N 3.16Å; S16-R19 PolarHBondContact OG-O 3.03Å; R19-T82 HydrophobicContact CB-CG2 4.24Å; R19-T82 HydrophobicContact CG-CG2 4.45Å; R19-N84 WeakPolarHBondContact CG-OD1 3.45Å; R19-N84 PolarHBondContact NE-OD1 3.4Å
20	F	31.6	Very low	35.5	Very low	53 Å²	53	52.6 Å²	52.6	23%	0.232	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.6	172.1	-177.1	-100.9	0	0	0	108.7	L13 V15 Y22 T82 L83	L13-F20 HydrophobicContact CD2-CE1 4.43Å; L13-F20 HydrophobicContact CD2-CE2 3.53Å; L13-F20 HydrophobicContact CD2-CZ 3.36Å; V15-F20 HydrophobicContact CG2-CD2 4.34Å; V15-F20 HydrophobicContact CG2-CE2 4.4Å; F20-Y22 AromaticContact CD1-CD1 3.64Å; F20-Y22 HydrophobicContact CD1-CD1 3.64Å; F20-Y22 HydrophobicContact CD1-CE1 4.39Å; F20-Y22 HydrophobicContact CD1-CG 4.3Å; F20-Y22 AromaticContact CE1-CD1 3.55Å; F20-Y22 HydrophobicContact CE1-CD1 3.55Å; F20-Y22 HydrophobicContact CE1-CE1 4.43Å; F20-Y22 AromaticContact CE1-CG 3.78Å; F20-Y22 HydrophobicContact CE1-CG 3.78Å; F20-T82 CarbonylContact O-C 3.57Å; F20-T82 WeakPolarHBondContact O-CA 3.43Å; F20-L83 HydrophobicContact CB-CB 4.17Å; F20-L83 HydrophobicContact CD1-CB 4.36Å; F20-L83 PolarHBondContact N-O 3.33Å; F20-L83 PolarHBondContact O-N 3.45Å
21	V	34.9	Very low	35.7	Very low	28 Å²	28	51.7 Å²	51.7	17%	0.17	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.5	174.9	-174	0	0	0	0	108.1	R14 R81 T82	R14-V21 HydrophobicContact CB-CB 4.44Å; R14-V21 PolarHBondContact N-O 3.12Å; R14-V21 PolarHBondContact O-N 3.49Å; V21-R81 WeakPolarHBondContact CA-O 3.26Å; V21-T82 HydrophobicContact CG2-CG2 4.04Å
22	Y	41.9	Very low	36.1	Very low	44 Å²	44	52.3 Å²	52.3	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.6	176.3	71.5	-76.1	0	0	0	110.2	F20 I24 R81 L83	F20-Y22 AromaticContact CD1-CD1 3.64Å; F20-Y22 HydrophobicContact CD1-CD1 3.64Å; F20-Y22 HydrophobicContact CD1-CE1 4.39Å; F20-Y22 HydrophobicContact CD1-CG 4.3Å; F20-Y22 AromaticContact CE1-CD1 3.55Å; F20-Y22 HydrophobicContact CE1-CD1 3.55Å; F20-Y22 HydrophobicContact CE1-CE1 4.43Å; F20-Y22 AromaticContact CE1-CG 3.78Å; F20-Y22 HydrophobicContact CE1-CG 3.78Å; Y22-I24 HydrophobicContact CD2-CG1 3.86Å; Y22-I24 HydrophobicContact CE2-CD1 3.59Å; Y22-I24 HydrophobicContact CE2-CG1 3.36Å; Y22-R81 HydrophobicContact CD1-CB 4.18Å; Y22-R81 HydrophobicContact CE1-CB 3.67Å; Y22-R81 HydrophobicContact CE2-CB 4.36Å; Y22-R81 PolarHBondContact N-O 2.84Å; Y22-R81 PolarHBondContact O-N 3.45Å; Y22-R81 VanDerWaalsContact O-O 3.06Å; Y22-L83 HydrophobicContact CE1-CD1 4.19Å
23	N	41.3	Very low	36.4	Very low	27 Å²	27	53.6 Å²	53.6	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.1	179.4	-62.6	0.5	0	0	0	108.7	G10 T78 E79 N80	G10-N23 WeakPolarHBondContact O-CB 3.38Å; N23-T78 HydrophobicContact CB-CG2 3.92Å; N23-E79 CarbonylContact C-O 3.6Å; N23-E79 WeakPolarHBondContact CA-O 3.16Å; N23-N80 PolarHBondContact ND2-OD1 3.48Å; N23-N80 PolarHBondContact OD1-OD1 2.85Å
24	I	43.3	Very low	36.7	Very low	8 Å²	8	59.8 Å²	59.8	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.3	168.8	-57.2	-175.6	0	0	0	106.7	Y22 H26 T78 E79 R81	Y22-I24 HydrophobicContact CD2-CG1 3.86Å; Y22-I24 HydrophobicContact CE2-CD1 3.59Å; Y22-I24 HydrophobicContact CE2-CG1 3.36Å; I24-H26 WeakPolarHBondContact CG2-NE2 3.17Å; I24-T78 CarbonylContact O-C 3.51Å; I24-T78 WeakPolarHBondContact O-CA 3.47Å; I24-E79 PolarHBondContact N-O 3.44Å; I24-E79 PolarHBondContact O-N 3.42Å; I24-R81 HydrophobicContact CD1-CG 4.3Å
25	T	42.4	Very low	37	Very low	18 Å²	18	56.6 Å²	56.6	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.1	173.4	-53.9	0	0	0	0	109.7	Y27 I76 N77 T78	T25-Y27 HydrophobicContact CG2-CD2 4.22Å; T25-Y27 HydrophobicContact CG2-CE1 3.84Å; T25-Y27 HydrophobicContact CG2-CE2 3.49Å; T25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; T25-Y27 VanDerWaalsContact CG2-OH 3.29Å; T25-Y27 WeakPolarHBondContact CG2-OH 3.27Å; T25-Y27 WeakPolarHBondContact O-CE2 3.25Å; T25-I76 HydrophobicContact CG2-CG2 3.32Å; T25-N77 CarbonylContact C-O 3.53Å; T25-T78 WeakPolarHBondContact CG2-OG1 3.16Å; T25-T78 PolarHBondContact OG1-OG1 3.2Å
26	H	42.8	Very low	37.3	Very low	43 Å²	43	56.6 Å²	56.6	20%	0.199	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.3	173.4	-56.9	138.5	0	0	0	109.6	I24 I76 N77 E79	I24-H26 WeakPolarHBondContact CG2-NE2 3.17Å; H26-I76 CarbonylContact O-C 3.59Å; H26-I76 WeakPolarHBondContact O-CA 3.46Å; H26-N77 HydrophobicContact CB-CB 4.36Å; H26-N77 PolarHBondContact N-O 2.74Å; H26-N77 PolarHBondContact O-N 3.18Å; H26-E79 IonicContact CE1-OE1 3.57Å; H26-E79 PolarHBondContact CE1-OE1 3.43Å; H26-E79 IonicContact CE1-OE2 3.13Å; H26-E79 IonicContact ND1-OE1 3.55Å; H26-E79 PolarHBondContact ND1-OE1 3.25Å
27	Y	43	Very low	37.5	Very low	50 Å²	50	59.8 Å²	59.8	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.8	179.8	-58.3	-95.1	0	0	0	108.7	T25 F48 L74 E75 I76	T25-Y27 HydrophobicContact CG2-CD2 4.22Å; T25-Y27 HydrophobicContact CG2-CE1 3.84Å; T25-Y27 HydrophobicContact CG2-CE2 3.49Å; T25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; T25-Y27 VanDerWaalsContact CG2-OH 3.29Å; T25-Y27 WeakPolarHBondContact CG2-OH 3.27Å; T25-Y27 WeakPolarHBondContact O-CE2 3.25Å; Y27-F48 HydrophobicContact CD1-CD2 4.36Å; Y27-F48 AromaticContact CD1-CE2 3.43Å; Y27-F48 HydrophobicContact CD1-CE2 3.43Å; Y27-F48 VanDerWaalsContact CD1-CE2 3.43Å; Y27-F48 AromaticContact CD1-CZ 3.77Å; Y27-F48 HydrophobicContact CD1-CZ 3.77Å; Y27-F48 AromaticContact CD2-CD2 3.66Å; Y27-F48 HydrophobicContact CD2-CD2 3.66Å; Y27-F48 AromaticContact CD2-CE2 3.48Å; Y27-F48 HydrophobicContact CD2-CE2 3.48Å; Y27-F48 VanDerWaalsContact CD2-CE2 3.48Å; Y27-F48 HydrophobicContact CE1-CD2 4.38Å; Y27-F48 AromaticContact CE1-CE2 3.67Å; Y27-F48 HydrophobicContact CE1-CE2 3.67Å; Y27-F48 AromaticContact CE1-CZ 3.81Å; Y27-F48 HydrophobicContact CE1-CZ 3.81Å; Y27-F48 AromaticContact CE2-CD2 3.67Å; Y27-F48 HydrophobicContact CE2-CD2 3.67Å; Y27-F48 AromaticContact CE2-CE2 3.71Å; Y27-F48 HydrophobicContact CE2-CE2 3.71Å; Y27-F48 HydrophobicContact CG-CD2 4.03Å; Y27-F48 AromaticContact CG-CE2 3.34Å; Y27-F48 HydrophobicContact CG-CE2 3.34Å; Y27-F48 HydrophobicContact CG-CZ 4.16Å; Y27-F48 AromaticContact CZ-CE2 3.81Å; Y27-L74 HydrophobicContact CD1-CD1 4.31Å; Y27-E75 CarbonylContact C-O 3.56Å; Y27-E75 WeakPolarHBondContact CA-O 3.35Å; Y27-I76 HydrophobicContact CD1-CB 4.25Å; Y27-I76 HydrophobicContact CD1-CD1 4.1Å; Y27-I76 HydrophobicContact CD1-CG1 3.71Å; Y27-I76 HydrophobicContact CD1-CG2 3.9Å; Y27-I76 HydrophobicContact CE1-CB 4.32Å; Y27-I76 HydrophobicContact CE1-CD1 3.87Å; Y27-I76 HydrophobicContact CE1-CG1 3.91Å; Y27-I76 HydrophobicContact CE1-CG2 3.59Å
28	T	39.4	Very low	37.3	Very low	29 Å²	29	61 Å²	61	18%	0.178	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.1	176.3	-59.2	0	0	0	0	109	K30 N38 E75	T28-K30 HydrophobicContact CG2-CG 4.22Å; T28-N38 VanDerWaalsContact CG2-OD1 3.22Å; T28-N38 WeakPolarHBondContact CG2-OD1 3Å; T28-E75 PolarHBondContact N-O 3.28Å; T28-E75 PolarHBondContact O-N 2.85Å
29	F	39.7	Very low	37.3	Very low	16 Å²	16	58.9 Å²	58.9	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.8	175.9	-68	-92	0	0	0	108.7	Y37 V52 F56 I72 L74	F29-Y37 PolarHBondContact N-O 3.18Å; F29-Y37 PolarHBondContact O-N 2.73Å; F29-Y37 VanDerWaalsContact O-N 3.16Å; F29-V52 HydrophobicContact CD2-CG1 4.37Å; F29-V52 HydrophobicContact CE1-CG1 4.16Å; F29-V52 HydrophobicContact CE2-CB 4.37Å; F29-V52 HydrophobicContact CE2-CG1 3.46Å; F29-V52 VanDerWaalsContact CE2-CG1 3.46Å; F29-V52 HydrophobicContact CE2-CG2 3.92Å; F29-V52 HydrophobicContact CZ-CG1 3.34Å; F29-V52 HydrophobicContact CZ-CG2 4.39Å; F29-F56 HydrophobicContact CB-CD2 4.4Å; F29-F56 HydrophobicContact CB-CE2 4.43Å; F29-F56 HydrophobicContact CD1-CD2 4.37Å; F29-F56 HydrophobicContact CD1-CE2 4.36Å; F29-F56 HydrophobicContact CG-CD2 4.39Å; F29-I72 HydrophobicContact CD1-CG2 4Å; F29-L74 HydrophobicContact CD1-CD1 4.03Å; F29-L74 HydrophobicContact CD2-CD1 4.31Å; F29-L74 HydrophobicContact CE1-CB 4.48Å; F29-L74 HydrophobicContact CE1-CD1 3.65Å; F29-L74 HydrophobicContact CE1-CD2 4.36Å; F29-L74 HydrophobicContact CE1-CG 4.37Å; F29-L74 HydrophobicContact CE2-CD1 3.93Å; F29-L74 HydrophobicContact CG-CD1 4.34Å; F29-L74 HydrophobicContact CZ-CD1 3.56Å; F29-L74 HydrophobicContact CZ-CD2 4.48Å
30	K	37.6	Very low	37.3	Very low	69 Å²	69	57.6 Å²	57.6	30%	0.3	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.5	175	-64.6	169.1	175.1	167.3	0	108.1	T28 I72 E73 E75	T28-K30 HydrophobicContact CG2-CG 4.22Å; K30-I72 CarbonylContact O-C 3.58Å; K30-I72 WeakPolarHBondContact O-CA 3.32Å; K30-E73 HydrophobicContact CB-CB 4.25Å; K30-E73 PolarHBondContact N-O 3.3Å; K30-E73 PolarHBondContact O-N 3.15Å; K30-E75 IonicContact NZ-OE2 2.72Å; K30-E75 PolarHBondContact NZ-OE2 3.4Å
31	S	37.2	Very low	37.4	Very low	22 Å²	22	58.4 Å²	58.4	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.3	168.3	64.7	0	0	0	0	110.4	G33 A35 N71	S31-G33 PolarHBondContact O-N 3.04Å; S31-A35 PolarHBondContact OG-O 3.15Å; S31-A35 VanDerWaalsContact OG-O 3.07Å; S31-N71 WeakPolarHBondContact CA-O 3.19Å
32	S	37.1	Very low	37.4	Very low	56 Å²	56	62.5 Å²	62.5	39%	0.392	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	106.9	166.5	69.9	0	0	0	0	107.6	F68 N71	S32-F68 VanDerWaalsContact O-CE1 3.25Å; S32-F68 WeakPolarHBondContact O-CE1 3.35Å; S32-N71 PolarHBondContact N-O 3.47Å; S32-N71 WeakPolarHBondContact OG-CB 3.18Å
33	G	35	Very low	37.1	Very low	48 Å²	48	62.1 Å²	62.1	50%	0.495	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	166.8	-19.2	-177.4	0	0	0	0	0	115.7	S31	S31-G33 PolarHBondContact O-N 3.04Å
34	N	35	Very low	37	Very low	176 Å²	176	65 Å²	65	94%	0.941	37%	0.365	S	S	*	.	S	Bend	trans	137.8	0	165.5	-79.4	-28	0	0	0	113.8
35	A	34.9	Very low	36.4	Very low	31 Å²	31	66 Å²	66	26%	0.256	38%	0.377	S	S	.	.			trans	-130.2	109.5	-177.9	0	0	0	0	0	112.5	S31 Y37	S31-A35 PolarHBondContact OG-O 3.15Å; S31-A35 VanDerWaalsContact OG-O 3.07Å; A35-Y37 HydrophobicContact CB-CD2 4.22Å; A35-Y37 HydrophobicContact CB-CE2 3.52Å
36	S	33	Very low	36.1	Very low	85 Å²	85	71.5 Å²	71.5	59%	0.594	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.6	163.4	58.2	0	0	0	0	109.2
37	Y	35.8	Very low	35.7	Very low	110 Å²	110	74 Å²	74	43%	0.431	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.6	174.4	-66.6	-80.9	0	0	0	109.2	F29 A35 M39 S59	F29-Y37 PolarHBondContact N-O 3.18Å; F29-Y37 PolarHBondContact O-N 2.73Å; F29-Y37 VanDerWaalsContact O-N 3.16Å; A35-Y37 HydrophobicContact CB-CD2 4.22Å; A35-Y37 HydrophobicContact CB-CE2 3.52Å; Y37-M39 PolarHBondContact O-N 3.07Å; Y37-S59 PolarHBondContact OH-OG 3.16Å
38	N	33.6	Very low	35.2	Very low	125 Å²	125	72.7 Å²	72.7	67%	0.668	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	109	172.3	-68.3	-14.2	0	0	0	108.4	T28	T28-N38 VanDerWaalsContact CG2-OD1 3.22Å; T28-N38 WeakPolarHBondContact CG2-OD1 3Å
39	M	32.6	Very low	35	Very low	72 Å²	72	76.7 Å²	76.7	36%	0.355	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	95.7	172.4	-169.9	66.7	84	0	0	109.4	Y37 E41	Y37-M39 PolarHBondContact O-N 3.07Å; M39-E41 HydrophobicContact CG-CG 4.16Å; M39-E41 HydrophobicContact SD-CG 4.1Å
40	S	31.7	Very low	34.7	Very low	99 Å²	99	77.5 Å²	77.5	69%	0.692	44%	0.435	S	S	*	.			trans	-93.9	101.7	173.1	65.4	0	0	0	0	109.3
41	E	32.8	Very low	34.6	Very low	71 Å²	71	77.6 Å²	77.6	33%	0.332	44%	0.439	S	S	.	.			trans	-129.2	135.4	173.3	-68.5	-172.4	168.5	0	0	110.4	M39 L43	M39-E41 HydrophobicContact CG-CG 4.16Å; M39-E41 HydrophobicContact SD-CG 4.1Å; E41-L43 HydrophobicContact CB-CD1 3.72Å; E41-L43 HydrophobicContact CB-CD2 3.7Å; E41-L43 HydrophobicContact CB-CG 3.4Å; E41-L43 VanDerWaalsContact CB-CG 3.4Å; E41-L43 PolarHBondContact O-N 2.97Å; E41-L43 WeakPolarHBondContact OE2-CD1 3.03Å; E41-L43 VanDerWaalsContact OE2-CD2 3.32Å; E41-L43 WeakPolarHBondContact OE2-CD2 3.33Å
42	N	36.2	Very low	34.6	Very low	114 Å²	114	77.8 Å²	77.8	61%	0.61	44%	0.439	S	S	*	.			trans	-76.3	65.7	175.2	-171.9	12.8	0	0	0	108.8
43	L	35.6	Very low	34.7	Very low	36 Å²	36	78 Å²	78	19%	0.188	44%	0.436	C	S	.	.			trans	-90.1	128.2	-171.7	-61.3	175.6	0	0	0	109.5	E41 Q47 F48	E41-L43 HydrophobicContact CB-CD1 3.72Å; E41-L43 HydrophobicContact CB-CD2 3.7Å; E41-L43 HydrophobicContact CB-CG 3.4Å; E41-L43 VanDerWaalsContact CB-CG 3.4Å; E41-L43 PolarHBondContact O-N 2.97Å; E41-L43 WeakPolarHBondContact OE2-CD1 3.03Å; E41-L43 VanDerWaalsContact OE2-CD2 3.32Å; E41-L43 WeakPolarHBondContact OE2-CD2 3.33Å; L43-Q47 HydrophobicContact CB-CB 3.93Å; L43-Q47 HydrophobicContact CD1-CB 4.37Å; L43-Q47 HydrophobicContact CD2-CB 3.43Å; L43-Q47 VanDerWaalsContact CD2-CB 3.43Å; L43-Q47 HydrophobicContact CD2-CG 4.3Å; L43-Q47 HydrophobicContact CG-CB 4.06Å; L43-F48 HydrophobicContact CB-CB 4.2Å; L43-F48 HydrophobicContact CD1-CB 4.28Å
44	N	38.1	Very low	34.9	Very low	86 Å²	86	79 Å²	79	46%	0.46	43%	0.432	S	S	.	.			trans	-60	147.2	154	80	45.4	0	0	0	107.3	K46 Q47 F48	N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 WeakPolarHBondContact OD1-CB 3.02Å; N44-K46 PolarHBondContact OD1-N 3.23Å; N44-Q47 PolarHBondContact O-N 3.45Å; N44-Q47 PolarHBondContact OD1-N 2.9Å; N44-F48 PolarHBondContact O-N 3.15Å
45	G	31.4	Very low	35.2	Very low	29 Å²	29	73.8 Å²	73.8	30%	0.299	41%	0.41	S	S	.	.	H	α-helix	trans	-53.7	-17.1	-171.8	0	0	0	0	0	115.7	F49	G45-F49 WeakPolarHBondContact O-CD2 3.38Å
46	K	34.9	Very low	35.4	Very low	134 Å²	134	73.6 Å²	73.6	58%	0.583	40%	0.403	S	S	*	.	H	α-helix	trans	-76.2	-37.5	175.2	-167	-179.2	177.7	-176.7	0	112.8	N44	N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 WeakPolarHBondContact OD1-CB 3.02Å; N44-K46 PolarHBondContact OD1-N 3.23Å
47	Q	34.9	Very low	35.6	Very low	95 Å²	95	71.2 Å²	71.2	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-35.7	174.7	-74.5	172.9	-50.1	0	0	111.2	L43 N44 F49 G50 D51	L43-Q47 HydrophobicContact CB-CB 3.93Å; L43-Q47 HydrophobicContact CD1-CB 4.37Å; L43-Q47 HydrophobicContact CD2-CB 3.43Å; L43-Q47 VanDerWaalsContact CD2-CB 3.43Å; L43-Q47 HydrophobicContact CD2-CG 4.3Å; L43-Q47 HydrophobicContact CG-CB 4.06Å; N44-Q47 PolarHBondContact O-N 3.45Å; N44-Q47 PolarHBondContact OD1-N 2.9Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 3.26Å; Q47-G50 PolarHBondContact O-N 3.34Å; Q47-D51 PolarHBondContact O-N 3Å
48	F	33.3	Very low	36	Very low	24 Å²	24	73 Å²	73	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-48.4	-49.6	175.9	173.8	-102.7	0	0	0	112.9	Y27 L43 N44 V52	Y27-F48 HydrophobicContact CD1-CD2 4.36Å; Y27-F48 AromaticContact CD1-CE2 3.43Å; Y27-F48 HydrophobicContact CD1-CE2 3.43Å; Y27-F48 VanDerWaalsContact CD1-CE2 3.43Å; Y27-F48 AromaticContact CD1-CZ 3.77Å; Y27-F48 HydrophobicContact CD1-CZ 3.77Å; Y27-F48 AromaticContact CD2-CD2 3.66Å; Y27-F48 HydrophobicContact CD2-CD2 3.66Å; Y27-F48 AromaticContact CD2-CE2 3.48Å; Y27-F48 HydrophobicContact CD2-CE2 3.48Å; Y27-F48 VanDerWaalsContact CD2-CE2 3.48Å; Y27-F48 HydrophobicContact CE1-CD2 4.38Å; Y27-F48 AromaticContact CE1-CE2 3.67Å; Y27-F48 HydrophobicContact CE1-CE2 3.67Å; Y27-F48 AromaticContact CE1-CZ 3.81Å; Y27-F48 HydrophobicContact CE1-CZ 3.81Å; Y27-F48 AromaticContact CE2-CD2 3.67Å; Y27-F48 HydrophobicContact CE2-CD2 3.67Å; Y27-F48 AromaticContact CE2-CE2 3.71Å; Y27-F48 HydrophobicContact CE2-CE2 3.71Å; Y27-F48 HydrophobicContact CG-CD2 4.03Å; Y27-F48 AromaticContact CG-CE2 3.34Å; Y27-F48 HydrophobicContact CG-CE2 3.34Å; Y27-F48 HydrophobicContact CG-CZ 4.16Å; Y27-F48 AromaticContact CZ-CE2 3.81Å; L43-F48 HydrophobicContact CB-CB 4.2Å; L43-F48 HydrophobicContact CD1-CB 4.28Å; N44-F48 PolarHBondContact O-N 3.15Å; F48-V52 HydrophobicContact CD2-CG2 4.04Å; F48-V52 HydrophobicContact CE2-CG2 4.02Å; F48-V52 WeakPolarHBondContact O-CB 3.39Å; F48-V52 WeakPolarHBondContact O-CG2 2.96Å; F48-V52 PolarHBondContact O-N 2.84Å
49	F	34	Very low	36.3	Very low	112 Å²	112	68.2 Å²	68.2	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-77.4	-20.9	179.6	-67.5	-70	0	0	0	114.1	G45 Q47 N53 A148	G45-F49 WeakPolarHBondContact O-CD2 3.38Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 3.26Å; F49-N53 WeakPolarHBondContact O-CB 2.94Å; F49-A148 HydrophobicContact CD1-CB 4.25Å; F49-A148 HydrophobicContact CE1-CB 4.4Å
50	G	33.7	Very low	36.2	Very low	33 Å²	33	68 Å²	68	34%	0.34	37%	0.365	S	S	.	.	H	α-helix	trans	-76.1	-52.4	177.5	0	0	0	0	0	111.8	Q47 T54	Q47-G50 PolarHBondContact O-N 3.34Å; G50-T54 PolarHBondContact O-N 3.22Å; G50-T54 VanDerWaalsContact O-N 3.15Å; G50-T54 PolarHBondContact O-OG1 3.1Å
51	D	35.4	Very low	36.4	Very low	71 Å²	71	68.8 Å²	68.8	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-82.9	-41.2	-167.7	-64.1	-36.8	0	0	0	112.2	Q47 N53 T54 S55	Q47-D51 PolarHBondContact O-N 3Å; D51-N53 VanDerWaalsContact C-N 3.31Å; D51-N53 PolarHBondContact O-N 3.27Å; D51-T54 PolarHBondContact O-N 3.43Å; D51-S55 PolarHBondContact O-N 2.88Å
52	V	37.2	Very low	36.8	Very low	26 Å²	26	73.6 Å²	73.6	16%	0.158	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-49.2	171	173.3	0	0	0	0	109.4	F29 F48 T54 F56	F29-V52 HydrophobicContact CD2-CG1 4.37Å; F29-V52 HydrophobicContact CE1-CG1 4.16Å; F29-V52 HydrophobicContact CE2-CB 4.37Å; F29-V52 HydrophobicContact CE2-CG1 3.46Å; F29-V52 VanDerWaalsContact CE2-CG1 3.46Å; F29-V52 HydrophobicContact CE2-CG2 3.92Å; F29-V52 HydrophobicContact CZ-CG1 3.34Å; F29-V52 HydrophobicContact CZ-CG2 4.39Å; F48-V52 HydrophobicContact CD2-CG2 4.04Å; F48-V52 HydrophobicContact CE2-CG2 4.02Å; F48-V52 WeakPolarHBondContact O-CB 3.39Å; F48-V52 WeakPolarHBondContact O-CG2 2.96Å; F48-V52 PolarHBondContact O-N 2.84Å; V52-T54 VanDerWaalsContact C-N 3.26Å; V52-T54 PolarHBondContact O-N 3.42Å; V52-F56 HydrophobicContact CG1-CB 4.33Å; V52-F56 WeakPolarHBondContact O-CA 3.41Å; V52-F56 WeakPolarHBondContact O-CB 3.47Å; V52-F56 PolarHBondContact O-N 2.81Å
53	N	40.5	Very low	36.9	Very low	62 Å²	62	72.2 Å²	72.2	33%	0.332	37%	0.373	S	S	.	.	H	α-helix	trans	-58.7	-40.1	-179	-169.5	57.8	0	0	0	111.5	F49 D51 L57	F49-N53 WeakPolarHBondContact O-CB 2.94Å; D51-N53 VanDerWaalsContact C-N 3.31Å; D51-N53 PolarHBondContact O-N 3.27Å; N53-L57 WeakPolarHBondContact O-CB 3.32Å; N53-L57 WeakPolarHBondContact O-CD1 3.49Å; N53-L57 WeakPolarHBondContact O-CG 3.4Å; N53-L57 PolarHBondContact O-N 2.83Å; N53-L57 VanDerWaalsContact O-N 3.15Å; N53-L57 WeakPolarHBondContact OD1-CD1 3.49Å
54	T	37.8	Very low	36.8	Very low	67 Å²	67	74.9 Å²	74.9	41%	0.411	38%	0.384	S	S	.	.	H	α-helix	trans	-76	-46.8	-175.4	-44	0	0	0	0	112.6	G50 D51 V52 K58	G50-T54 PolarHBondContact O-N 3.22Å; G50-T54 VanDerWaalsContact O-N 3.15Å; G50-T54 PolarHBondContact O-OG1 3.1Å; D51-T54 PolarHBondContact O-N 3.43Å; V52-T54 VanDerWaalsContact C-N 3.26Å; V52-T54 PolarHBondContact O-N 3.42Å; T54-K58 HydrophobicContact CG2-CD 4.33Å; T54-K58 VanDerWaalsContact O-CB 3.27Å; T54-K58 WeakPolarHBondContact O-CB 3.41Å; T54-K58 WeakPolarHBondContact O-CD 3.48Å; T54-K58 WeakPolarHBondContact O-CG 3.34Å; T54-K58 PolarHBondContact O-N 3.14Å; T54-K58 VanDerWaalsContact O-N 3.15Å
55	S	42.9	Very low	37	Very low	68 Å²	68	78.2 Å²	78.2	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-76.6	-41.9	-176.9	-67.2	0	0	0	0	112.2	D51 S59	D51-S55 PolarHBondContact O-N 2.88Å; S55-S59 PolarHBondContact O-N 2.82Å; S55-S59 VanDerWaalsContact O-N 3.12Å
56	F	37.8	Very low	37.1	Very low	27 Å²	27	81.2 Å²	81.2	12%	0.118	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-49.2	177.4	-177.1	-98.2	0	0	0	111.1	F29 V52 K58 S59 W60 L70 I72 F141	F29-F56 HydrophobicContact CB-CD2 4.4Å; F29-F56 HydrophobicContact CB-CE2 4.43Å; F29-F56 HydrophobicContact CD1-CD2 4.37Å; F29-F56 HydrophobicContact CD1-CE2 4.36Å; F29-F56 HydrophobicContact CG-CD2 4.39Å; V52-F56 HydrophobicContact CG1-CB 4.33Å; V52-F56 WeakPolarHBondContact O-CA 3.41Å; V52-F56 WeakPolarHBondContact O-CB 3.47Å; V52-F56 PolarHBondContact O-N 2.81Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 3.36Å; F56-S59 PolarHBondContact O-N 3.31Å; F56-W60 HydrophobicContact CE1-CB 4.49Å; F56-W60 WeakPolarHBondContact O-CB 3.47Å; F56-W60 PolarHBondContact O-N 3.41Å; F56-L70 HydrophobicContact CZ-CD2 4.29Å; F56-I72 HydrophobicContact CE1-CD1 3.98Å; F56-I72 HydrophobicContact CE2-CD1 4.46Å; F56-I72 HydrophobicContact CE2-CG1 4.49Å; F56-I72 HydrophobicContact CE2-CG2 4.32Å; F56-I72 HydrophobicContact CZ-CD1 3.41Å; F56-I72 VanDerWaalsContact CZ-CD1 3.41Å; F56-I72 HydrophobicContact CZ-CG1 3.84Å; F56-I72 HydrophobicContact CZ-CG2 4.21Å; F56-F141 HydrophobicContact CE1-CE1 4.24Å; F56-F141 AromaticContact CE1-CZ 3.99Å; F56-F141 HydrophobicContact CE1-CZ 3.99Å
57	L	38.1	Very low	37.2	Very low	35 Å²	35	83.5 Å²	83.5	18%	0.183	43%	0.433	C	S	.	.	H	α-helix	trans	-63.8	-38.6	178.7	-67.3	178.5	0	0	0	112.1	N53 S59 W60 I61 L145	N53-L57 WeakPolarHBondContact O-CB 3.32Å; N53-L57 WeakPolarHBondContact O-CD1 3.49Å; N53-L57 WeakPolarHBondContact O-CG 3.4Å; N53-L57 PolarHBondContact O-N 2.83Å; N53-L57 VanDerWaalsContact O-N 3.15Å; N53-L57 WeakPolarHBondContact OD1-CD1 3.49Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.25Å; L57-W60 HydrophobicContact CD2-CE3 3.8Å; L57-W60 HydrophobicContact CD2-CZ3 4.25Å; L57-W60 PolarHBondContact O-N 3.43Å; L57-I61 HydrophobicContact CB-CD1 4.48Å; L57-I61 WeakPolarHBondContact O-CB 3.23Å; L57-I61 WeakPolarHBondContact O-CD1 3.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.22Å; L57-I61 PolarHBondContact O-N 3.34Å; L57-L145 HydrophobicContact CD2-CD2 4.03Å
58	K	42.8	Very low	37.1	Very low	146 Å²	146	84.8 Å²	84.8	64%	0.635	44%	0.438	S	S	*	.	H	α-helix	trans	-61.3	-39.7	176.1	-82	176.6	-179	178.8	0	112.3	T54 F56 K62	T54-K58 HydrophobicContact CG2-CD 4.33Å; T54-K58 VanDerWaalsContact O-CB 3.27Å; T54-K58 WeakPolarHBondContact O-CB 3.41Å; T54-K58 WeakPolarHBondContact O-CD 3.48Å; T54-K58 WeakPolarHBondContact O-CG 3.34Å; T54-K58 PolarHBondContact O-N 3.14Å; T54-K58 VanDerWaalsContact O-N 3.15Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 3.36Å; K58-K62 PolarHBondContact O-N 3.31Å
59	S	40.1	Very low	37.2	Very low	25 Å²	25	87.4 Å²	87.4	18%	0.175	46%	0.459	C	S	.	.	H	α-helix	trans	-68.9	-45.2	174.6	-168.4	0	0	0	0	111.2	Y37 S55 F56 L57 K62 D63	Y37-S59 PolarHBondContact OH-OG 3.16Å; S55-S59 PolarHBondContact O-N 2.82Å; S55-S59 VanDerWaalsContact O-N 3.12Å; F56-S59 PolarHBondContact O-N 3.31Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.25Å; S59-K62 VanDerWaalsContact O-CB 3.32Å; S59-K62 WeakPolarHBondContact O-CB 3.32Å; S59-K62 PolarHBondContact O-N 3.13Å; S59-K62 VanDerWaalsContact O-N 3.12Å; S59-D63 PolarHBondContact O-N 3.33Å
60	W	30.8	Very low	37.2	Very low	68 Å²	68	83.9 Å²	83.9	26%	0.258	45%	0.445	S	S	.	.	H	α-helix	trans	-60.4	-47.6	-179.6	-178	54.5	0	0	0	112.7	F56 L57 K62 D63 Q64	F56-W60 HydrophobicContact CE1-CB 4.49Å; F56-W60 WeakPolarHBondContact O-CB 3.47Å; F56-W60 PolarHBondContact O-N 3.41Å; L57-W60 HydrophobicContact CD2-CE3 3.8Å; L57-W60 HydrophobicContact CD2-CZ3 4.25Å; L57-W60 PolarHBondContact O-N 3.43Å; W60-K62 PolarHBondContact O-N 3.02Å; W60-D63 PolarHBondContact O-N 2.84Å; W60-D63 VanDerWaalsContact O-N 3.1Å; W60-Q64 HydrophobicContact CD2-CG 4.42Å; W60-Q64 VanDerWaalsContact CZ2-NE2 3.25Å; W60-Q64 WeakPolarHBondContact O-CG 3.4Å; W60-Q64 PolarHBondContact O-N 2.86Å; W60-Q64 VanDerWaalsContact O-N 3.14Å
61	I	36.4	Very low	37.4	Very low	115 Å²	115	87.1 Å²	87.1	59%	0.59	46%	0.455	S	S	*	.	H	α-helix	trans	-59.1	-31.8	176.6	-69.1	165.7	0	0	0	111.1	L57	L57-I61 HydrophobicContact CB-CD1 4.48Å; L57-I61 WeakPolarHBondContact O-CB 3.23Å; L57-I61 WeakPolarHBondContact O-CD1 3.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.22Å; L57-I61 PolarHBondContact O-N 3.34Å
62	K	41.9	Very low	37.6	Very low	173 Å²	173	85 Å²	85	75%	0.752	44%	0.443	S	S	*	.	H	α-helix	trans	-69.9	-34	179	-130.4	-178.7	-179.7	-173.3	0	112.6	K58 S59 W60	K58-K62 PolarHBondContact O-N 3.31Å; S59-K62 VanDerWaalsContact O-CB 3.32Å; S59-K62 WeakPolarHBondContact O-CB 3.32Å; S59-K62 PolarHBondContact O-N 3.13Å; S59-K62 VanDerWaalsContact O-N 3.12Å; W60-K62 PolarHBondContact O-N 3.02Å
63	D	37.4	Very low	37.6	Very low	84 Å²	84	87.4 Å²	87.4	45%	0.449	45%	0.452	S	S	.	.	H	α-helix	trans	-87.4	-22.3	-177	-73	-20.2	0	0	0	113.5	S59 W60 N65 T66	S59-D63 PolarHBondContact O-N 3.33Å; W60-D63 PolarHBondContact O-N 2.84Å; W60-D63 VanDerWaalsContact O-N 3.1Å; D63-N65 PolarHBondContact O-N 3.33Å; D63-T66 PolarHBondContact O-N 2.88Å; D63-T66 PolarHBondContact O-OG1 2.88Å; D63-T66 VanDerWaalsContact O-OG1 3.08Å
64	Q	34.6	Very low	37.7	Very low	92 Å²	92	86.1 Å²	86.1	43%	0.43	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-8.7	176.7	-77.1	-70.3	-19.2	0	0	114.7	W60 T66	W60-Q64 HydrophobicContact CD2-CG 4.42Å; W60-Q64 VanDerWaalsContact CZ2-NE2 3.25Å; W60-Q64 WeakPolarHBondContact O-CG 3.4Å; W60-Q64 PolarHBondContact O-N 2.86Å; W60-Q64 VanDerWaalsContact O-N 3.14Å; Q64-T66 PolarHBondContact O-N 3.34Å
65	N	41.5	Very low	37.9	Very low	156 Å²	156	84.2 Å²	84.2	83%	0.834	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	1.8	172.1	-138.3	12	0	0	0	113.3	D63	D63-N65 PolarHBondContact O-N 3.33Å
66	T	33.6	Very low	37.9	Very low	92 Å²	92	83.6 Å²	83.6	56%	0.564	42%	0.423	S	S	*	.	S	Bend	trans	-129.2	130	170.5	55.4	0	0	0	0	108.7	D63 Q64 F68	D63-T66 PolarHBondContact O-N 2.88Å; D63-T66 PolarHBondContact O-OG1 2.88Å; D63-T66 VanDerWaalsContact O-OG1 3.08Å; Q64-T66 PolarHBondContact O-N 3.34Å; T66-F68 PolarHBondContact O-N 3.2Å
67	N	36.8	Very low	38.2	Very low	183 Å²	183	83.4 Å²	83.4	98%	0.979	42%	0.423	S	S	*	.			trans	-60.2	74.9	179.4	-73.4	-31.8	0	0	0	111.6
68	F	32.1	Very low	38.3	Very low	122 Å²	122	83.3 Å²	83.3	54%	0.535	42%	0.424	S	S	.	.			trans	-121.4	125.3	-176.9	-156.6	-89.1	0	0	0	109.9	S32 T66 L70	S32-F68 VanDerWaalsContact O-CE1 3.25Å; S32-F68 WeakPolarHBondContact O-CE1 3.35Å; T66-F68 PolarHBondContact O-N 3.2Å; F68-L70 PolarHBondContact O-N 3.49Å
69	S	35.2	Very low	38.4	Very low	78 Å²	78	78.5 Å²	78.5	55%	0.545	40%	0.404	S	S	.	.			trans	-73.4	112.1	170.9	-177.3	0	0	0	0	108.2	N71	S69-N71 PolarHBondContact O-N 2.99Å
70	L	35.2	Very low	38.7	Very low	38 Å²	38	82.5 Å²	82.5	20%	0.199	42%	0.423	C	S	.	.			trans	-90.4	103.2	-177.6	-167.4	85.5	0	0	0	109.6	F56 F68 I72	F56-L70 HydrophobicContact CZ-CD2 4.29Å; F68-L70 PolarHBondContact O-N 3.49Å; L70-I72 HydrophobicContact CD2-CD1 3.76Å; L70-I72 HydrophobicContact CD2-CG1 3.45Å; L70-I72 VanDerWaalsContact CD2-CG1 3.45Å; L70-I72 HydrophobicContact CG-CG1 3.92Å; L70-I72 PolarHBondContact O-N 3.31Å
71	N	37	Very low	39.2	Very low	102 Å²	102	84.5 Å²	84.5	55%	0.545	43%	0.43	S	S	.	.			trans	-80	118.4	166	-60.3	-42.7	0	0	0	108.7	S31 S32 S69	S31-N71 WeakPolarHBondContact CA-O 3.19Å; S32-N71 PolarHBondContact N-O 3.47Å; S32-N71 WeakPolarHBondContact OG-CB 3.18Å; S69-N71 PolarHBondContact O-N 2.99Å
72	I	39.7	Very low	39.3	Very low	27 Å²	27	82.9 Å²	82.9	14%	0.138	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.2	177.4	-53.7	154.9	0	0	0	108	F29 K30 F56 L70 F141	F29-I72 HydrophobicContact CD1-CG2 4Å; K30-I72 CarbonylContact O-C 3.58Å; K30-I72 WeakPolarHBondContact O-CA 3.32Å; F56-I72 HydrophobicContact CE1-CD1 3.98Å; F56-I72 HydrophobicContact CE2-CD1 4.46Å; F56-I72 HydrophobicContact CE2-CG1 4.49Å; F56-I72 HydrophobicContact CE2-CG2 4.32Å; F56-I72 HydrophobicContact CZ-CD1 3.41Å; F56-I72 VanDerWaalsContact CZ-CD1 3.41Å; F56-I72 HydrophobicContact CZ-CG1 3.84Å; F56-I72 HydrophobicContact CZ-CG2 4.21Å; L70-I72 HydrophobicContact CD2-CD1 3.76Å; L70-I72 HydrophobicContact CD2-CG1 3.45Å; L70-I72 VanDerWaalsContact CD2-CG1 3.45Å; L70-I72 HydrophobicContact CG-CG1 3.92Å; L70-I72 PolarHBondContact O-N 3.31Å; I72-F141 HydrophobicContact CD1-CD1 4.3Å; I72-F141 HydrophobicContact CD1-CE1 4.01Å; I72-F141 HydrophobicContact CD1-CZ 4.12Å
73	E	38.7	Very low	38.9	Very low	75 Å²	75	76.5 Å²	76.5	35%	0.35	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.1	167.9	-171.1	-173.2	-176.9	0	0	108.8	K30 S133	K30-E73 HydrophobicContact CB-CB 4.25Å; K30-E73 PolarHBondContact N-O 3.3Å; K30-E73 PolarHBondContact O-N 3.15Å; E73-S133 WeakPolarHBondContact OE1-CB 3.48Å
74	L	42.6	Very low	38.7	Very low	36 Å²	36	76.7 Å²	76.7	19%	0.188	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.7	171.4	176.1	57.3	0	0	0	109.2	Y27 F29 I76	Y27-L74 HydrophobicContact CD1-CD1 4.31Å; F29-L74 HydrophobicContact CD1-CD1 4.03Å; F29-L74 HydrophobicContact CD2-CD1 4.31Å; F29-L74 HydrophobicContact CE1-CB 4.48Å; F29-L74 HydrophobicContact CE1-CD1 3.65Å; F29-L74 HydrophobicContact CE1-CD2 4.36Å; F29-L74 HydrophobicContact CE1-CG 4.37Å; F29-L74 HydrophobicContact CE2-CD1 3.93Å; F29-L74 HydrophobicContact CG-CD1 4.34Å; F29-L74 HydrophobicContact CZ-CD1 3.56Å; F29-L74 HydrophobicContact CZ-CD2 4.48Å; L74-I76 HydrophobicContact CD1-CG1 4.4Å; L74-I76 HydrophobicContact CD2-CD1 4.19Å; L74-I76 HydrophobicContact CD2-CG1 4.33Å; L74-I76 HydrophobicContact CG-CD1 4.36Å; L74-I76 HydrophobicContact CG-CG1 3.98Å
75	E	41.6	Very low	38.7	Very low	26 Å²	26	76.9 Å²	76.9	12%	0.121	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121	173.4	-177.5	173.7	168.3	0	0	109.4	Y27 T28 K30 K131	Y27-E75 CarbonylContact C-O 3.56Å; Y27-E75 WeakPolarHBondContact CA-O 3.35Å; T28-E75 PolarHBondContact N-O 3.28Å; T28-E75 PolarHBondContact O-N 2.85Å; K30-E75 IonicContact NZ-OE2 2.72Å; K30-E75 PolarHBondContact NZ-OE2 3.4Å; E75-K131 HydrophobicContact CG-CG 4.29Å; E75-K131 VanDerWaalsContact OE1-CD 3.22Å; E75-K131 WeakPolarHBondContact OE1-CD 3.33Å; E75-K131 WeakPolarHBondContact OE1-CE 3.36Å; E75-K131 IonicContact OE1-NZ 3.68Å; E75-K131 PolarHBondContact OE1-NZ 2.74Å; E75-K131 IonicContact OE2-NZ 2.69Å; E75-K131 PolarHBondContact OE2-NZ 2.84Å; E75-K131 VanDerWaalsContact OE2-NZ 3.13Å
76	I	42.1	Very low	38.2	Very low	56 Å²	56	77.2 Å²	77.2	29%	0.287	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.3	178.3	-49.4	-178	0	0	0	108.1	T25 H26 Y27 L74 K132	T25-I76 HydrophobicContact CG2-CG2 3.32Å; H26-I76 CarbonylContact O-C 3.59Å; H26-I76 WeakPolarHBondContact O-CA 3.46Å; Y27-I76 HydrophobicContact CD1-CB 4.25Å; Y27-I76 HydrophobicContact CD1-CD1 4.1Å; Y27-I76 HydrophobicContact CD1-CG1 3.71Å; Y27-I76 HydrophobicContact CD1-CG2 3.9Å; Y27-I76 HydrophobicContact CE1-CB 4.32Å; Y27-I76 HydrophobicContact CE1-CD1 3.87Å; Y27-I76 HydrophobicContact CE1-CG1 3.91Å; Y27-I76 HydrophobicContact CE1-CG2 3.59Å; L74-I76 HydrophobicContact CD1-CG1 4.4Å; L74-I76 HydrophobicContact CD2-CD1 4.19Å; L74-I76 HydrophobicContact CD2-CG1 4.33Å; L74-I76 HydrophobicContact CG-CD1 4.36Å; L74-I76 HydrophobicContact CG-CG1 3.98Å; I76-K132 PolarHBondContact N-O 2.67Å
77	N	43.4	Very low	38.2	Very low	23 Å²	23	75.3 Å²	75.3	12%	0.123	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116	177	-173	-2	0	0	0	109.7	T25 H26	T25-N77 CarbonylContact C-O 3.53Å; H26-N77 HydrophobicContact CB-CB 4.36Å; H26-N77 PolarHBondContact N-O 2.74Å; H26-N77 PolarHBondContact O-N 3.18Å
78	T	41.9	Very low	38.2	Very low	33 Å²	33	76.6 Å²	76.6	20%	0.202	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.8	178.7	-55.6	0	0	0	0	110.2	N23 I24 T25	N23-T78 HydrophobicContact CB-CG2 3.92Å; I24-T78 CarbonylContact O-C 3.51Å; I24-T78 WeakPolarHBondContact O-CA 3.47Å; T25-T78 WeakPolarHBondContact CG2-OG1 3.16Å; T25-T78 PolarHBondContact OG1-OG1 3.2Å
79	E	44.1	Very low	38.4	Very low	45 Å²	45	77.9 Å²	77.9	21%	0.21	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.6	174.4	-66.4	-180	-172.7	0	0	110.6	N23 I24 H26 R81	N23-E79 CarbonylContact C-O 3.6Å; N23-E79 WeakPolarHBondContact CA-O 3.16Å; I24-E79 PolarHBondContact N-O 3.44Å; I24-E79 PolarHBondContact O-N 3.42Å; H26-E79 IonicContact CE1-OE1 3.57Å; H26-E79 PolarHBondContact CE1-OE1 3.43Å; H26-E79 IonicContact CE1-OE2 3.13Å; H26-E79 IonicContact ND1-OE1 3.55Å; H26-E79 PolarHBondContact ND1-OE1 3.25Å; E79-R81 IonicContact OE2-CZ 2.89Å; E79-R81 IonicContact OE2-NE 3.28Å; E79-R81 PolarHBondContact OE2-NE 2.93Å; E79-R81 IonicContact OE2-NH2 2.7Å; E79-R81 PolarHBondContact OE2-NH2 3.34Å
80	N	45.7	Very low	38.2	Very low	108 Å²	108	80.8 Å²	80.8	58%	0.578	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.9	169.2	-62.9	-25.7	0	0	0	109	N23	N23-N80 PolarHBondContact ND2-OD1 3.48Å; N23-N80 PolarHBondContact OD1-OD1 2.85Å
81	R	42.3	Very low	37.7	Very low	110 Å²	110	89 Å²	89	42%	0.415	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.7	175.6	-65.8	-159	-178.5	-172.5	0.9	111	V21 Y22 I24 E79	V21-R81 WeakPolarHBondContact CA-O 3.26Å; Y22-R81 HydrophobicContact CD1-CB 4.18Å; Y22-R81 HydrophobicContact CE1-CB 3.67Å; Y22-R81 HydrophobicContact CE2-CB 4.36Å; Y22-R81 PolarHBondContact N-O 2.84Å; Y22-R81 PolarHBondContact O-N 3.45Å; Y22-R81 VanDerWaalsContact O-O 3.06Å; I24-R81 HydrophobicContact CD1-CG 4.3Å; E79-R81 IonicContact OE2-CZ 2.89Å; E79-R81 IonicContact OE2-NE 3.28Å; E79-R81 PolarHBondContact OE2-NE 2.93Å; E79-R81 IonicContact OE2-NH2 2.7Å; E79-R81 PolarHBondContact OE2-NH2 3.34Å
82	T	37.6	Very low	37.2	Very low	81 Å²	81	87.5 Å²	87.5	50%	0.497	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.9	176.2	-57.7	0	0	0	0	109.2	R19 F20 V21	R19-T82 HydrophobicContact CB-CG2 4.24Å; R19-T82 HydrophobicContact CG-CG2 4.45Å; F20-T82 CarbonylContact O-C 3.57Å; F20-T82 WeakPolarHBondContact O-CA 3.43Å; V21-T82 HydrophobicContact CG2-CG2 4.04Å
83	L	33.3	Very low	36.4	Very low	39 Å²	39	94.5 Å²	94.5	20%	0.204	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.5	171.3	-136.1	109.3	0	0	0	109.2	F20 Y22 L85 Y90	F20-L83 HydrophobicContact CB-CB 4.17Å; F20-L83 HydrophobicContact CD1-CB 4.36Å; F20-L83 PolarHBondContact N-O 3.33Å; F20-L83 PolarHBondContact O-N 3.45Å; Y22-L83 HydrophobicContact CE1-CD1 4.19Å; L83-L85 HydrophobicContact CD2-CD2 4.09Å; L83-Y90 HydrophobicContact CD2-CD1 4.38Å; L83-Y90 HydrophobicContact CD2-CE1 4.22Å
84	N	34.8	Very low	35.7	Very low	88 Å²	88	95.9 Å²	95.9	47%	0.471	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.9	172.6	-86.3	-41.8	0	0	0	109.3	R19 H86	R19-N84 WeakPolarHBondContact CG-OD1 3.45Å; R19-N84 PolarHBondContact NE-OD1 3.4Å; N84-H86 PolarHBondContact O-N 3.45Å
85	L	33	Very low	34.7	Very low	96 Å²	96	101 Å²	101	50%	0.503	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.6	-174.2	-63	171.2	0	0	0	114.2	L83	L83-L85 HydrophobicContact CD2-CD2 4.09Å
86	H	32	Very low	33.8	Very low	163 Å²	163	106 Å²	106	76%	0.755	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	3.4	-174.8	-115.3	72	0	0	0	115	N84 K88	N84-H86 PolarHBondContact O-N 3.45Å; H86-K88 PolarHBondContact O-N 2.9Å
87	S	33.5	Very low	32.9	Very low	52 Å²	52	111 Å²	111	36%	0.364	55%	0.552	S	S	.	*			trans	-68.2	121.1	171.1	68.1	0	0	0	0	108.3	D89 Y90	S87-D89 PolarHBondContact O-N 2.83Å; S87-Y90 PolarHBondContact O-N 2.96Å
88	K	37.1	Very low	31.9	Very low	210 Å²	210	113 Å²	113	91%	0.913	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-17.4	177.6	-79.4	-179.1	174	178.5	0	113.9	H86	H86-K88 PolarHBondContact O-N 2.9Å
89	D	36.8	Very low	30.9	Very low	149 Å²	149	118.8 Å²	118.8	80%	0.797	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-3.5	-176.8	-53.8	-43	0	0	0	114.6	S87 K91	S87-D89 PolarHBondContact O-N 2.83Å; D89-K91 PolarHBondContact O-N 2.89Å
90	Y	29.4	Very low	29.9	Very low	139 Å²	139	126 Å²	126	55%	0.545	64%	0.635	S	S	.	*			trans	-101.8	82.9	-175.8	-117.2	-102	0	0	0	112.9	L83 S87 T92	L83-Y90 HydrophobicContact CD2-CD1 4.38Å; L83-Y90 HydrophobicContact CD2-CE1 4.22Å; S87-Y90 PolarHBondContact O-N 2.96Å; Y90-T92 VanDerWaalsContact C-N 3.35Å; Y90-T92 HydrophobicContact CD1-CG2 3.52Å; Y90-T92 WeakPolarHBondContact CD1-OG1 3.36Å; Y90-T92 HydrophobicContact CE1-CG2 3.49Å; Y90-T92 VanDerWaalsContact CE1-CG2 3.49Å; Y90-T92 PolarHBondContact O-N 3.01Å
91	K	24.7	Very low	28.9	Very low	210 Å²	210	127.3 Å²	127.3	91%	0.913	64%	0.636	S	S	*	*			trans	-81.1	78.5	161.5	-82.3	-175.8	177.8	177.3	0	109.4	D89	D89-K91 PolarHBondContact O-N 2.89Å
92	T	26.3	Very low	28	Very low	71 Å²	71	127.2 Å²	127.2	44%	0.436	65%	0.649	S	S	.	*			trans	-112.9	106.8	168.6	51.1	0	0	0	0	110	Y90 I94	Y90-T92 VanDerWaalsContact C-N 3.35Å; Y90-T92 HydrophobicContact CD1-CG2 3.52Å; Y90-T92 WeakPolarHBondContact CD1-OG1 3.36Å; Y90-T92 HydrophobicContact CE1-CG2 3.49Å; Y90-T92 VanDerWaalsContact CE1-CG2 3.49Å; Y90-T92 PolarHBondContact O-N 3.01Å; T92-I94 PolarHBondContact O-N 3.23Å
93	N	22.8	Very low	27.5	Very low	174 Å²	174	130.3 Å²	130.3	93%	0.93	66%	0.663	S	S	*	*			trans	-61.6	79.8	161	-88.4	-12	0	0	0	108.6	N95	N93-N95 PolarHBondContact O-N 2.96Å
94	I	24.4	Very low	27.4	Very low	104 Å²	104	133.8 Å²	133.8	53%	0.533	68%	0.681	S	S	.	*			trans	-91.1	93	168	-49	-177.7	0	0	0	106.1	T92 I96	T92-I94 PolarHBondContact O-N 3.23Å; I94-I96 HydrophobicContact CB-CG1 4.3Å; I94-I96 HydrophobicContact CG2-CD1 3.97Å; I94-I96 HydrophobicContact CG2-CG1 3.42Å; I94-I96 VanDerWaalsContact CG2-CG1 3.42Å; I94-I96 PolarHBondContact O-N 3.34Å
95	N	22.1	Very low	27.3	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	68%	0.68	S	S	*	*			trans	-69.1	84.6	166.2	-107	3.8	0	0	0	108	N93 E97	N93-N95 PolarHBondContact O-N 2.96Å; N95-E97 PolarHBondContact O-N 3.39Å; N95-E97 VanDerWaalsContact O-N 3.1Å
96	I	23.1	Very low	27.2	Very low	130 Å²	130	134.5 Å²	134.5	67%	0.667	68%	0.68	S	S	*	*			trans	-81.8	73.4	167	-49.5	179.8	0	0	0	106.5	I94 G98	I94-I96 HydrophobicContact CB-CG1 4.3Å; I94-I96 HydrophobicContact CG2-CD1 3.97Å; I94-I96 HydrophobicContact CG2-CG1 3.42Å; I94-I96 VanDerWaalsContact CG2-CG1 3.42Å; I94-I96 PolarHBondContact O-N 3.34Å; I96-G98 PolarHBondContact O-N 3.25Å; I96-G98 VanDerWaalsContact O-N 3.14Å
97	E	22.2	Very low	27.1	Very low	162 Å²	162	132 Å²	132	76%	0.757	68%	0.681	S	S	*	*			trans	-65	114.1	166.2	-76.3	-170.4	168.2	0	0	107.6	N95 M99	N95-E97 PolarHBondContact O-N 3.39Å; N95-E97 VanDerWaalsContact O-N 3.1Å; E97-M99 PolarHBondContact O-N 2.9Å; E97-M99 VanDerWaalsContact O-N 3.16Å
98	G	22.3	Very low	26.9	Very low	65 Å²	65	136.5 Å²	136.5	67%	0.67	70%	0.696	S	S	*	*			trans	-52.9	118.2	-164.3	0	0	0	0	0	113.4	I96 K100	I96-G98 PolarHBondContact O-N 3.25Å; I96-G98 VanDerWaalsContact O-N 3.14Å; G98-K100 PolarHBondContact O-N 3.05Å
99	M	21.4	Very low	26.4	Very low	153 Å²	153	131 Å²	131	75%	0.754	68%	0.676	S	S	*	*			trans	-60	96.2	167.2	-77.3	-179.1	178.5	0	0	109.6	E97 F101	E97-M99 PolarHBondContact O-N 2.9Å; E97-M99 VanDerWaalsContact O-N 3.16Å; M99-F101 HydrophobicContact CB-CD2 4.21Å; M99-F101 HydrophobicContact CB-CE2 3.73Å; M99-F101 HydrophobicContact CB-CZ 4.24Å; M99-F101 HydrophobicContact CG-CE2 4.36Å; M99-F101 HydrophobicContact CG-CZ 4.42Å; M99-F101 HydrophobicContact SD-CE2 3.88Å; M99-F101 HydrophobicContact SD-CZ 3.66Å
100	K	23	Very low	26	Very low	196 Å²	196	129.7 Å²	129.7	85%	0.852	67%	0.669	S	S	*	*			trans	-80.2	115.4	159	-75	-177	178	178.1	0	106.7	G98 P102	G98-K100 PolarHBondContact O-N 3.05Å; K100-P102 WeakPolarHBondContact O-CD 3.48Å
101	F	24.3	Very low	26	Very low	136 Å²	136	127.1 Å²	127.1	60%	0.596	66%	0.664	S	S	*	*			trans	-92.7	87.2	167.8	-68.8	-83.6	0	0	0	108.5	L8 M99 N103	L8-F101 HydrophobicContact CD1-CE2 3.99Å; L8-F101 HydrophobicContact CD1-CZ 4.05Å; M99-F101 HydrophobicContact CB-CD2 4.21Å; M99-F101 HydrophobicContact CB-CE2 3.73Å; M99-F101 HydrophobicContact CB-CZ 4.24Å; M99-F101 HydrophobicContact CG-CE2 4.36Å; M99-F101 HydrophobicContact CG-CZ 4.42Å; M99-F101 HydrophobicContact SD-CE2 3.88Å; M99-F101 HydrophobicContact SD-CZ 3.66Å; F101-N103 PolarHBondContact O-N 3.32Å
102	P	23.7	Very low	26.1	Very low	108 Å²	108	121.5 Å²	121.5	70%	0.701	65%	0.651	S	S	*	*			trans	-65.6	121	169.8	27	-31.8	0	0	0	108.5	K100	K100-P102 WeakPolarHBondContact O-CD 3.48Å
103	N	28.3	Very low	26.1	Very low	147 Å²	147	123.1 Å²	123.1	79%	0.786	67%	0.665	S	S	*	*	S	Bend	trans	64.6	77.8	169.8	-54.3	-26.9	0	0	0	115.1	F101 P105	F101-N103 PolarHBondContact O-N 3.32Å; N103-P105 WeakPolarHBondContact O-CD 3.42Å; N103-P105 WeakPolarHBondContact O-CG 3.22Å; N103-P105 VanDerWaalsContact O-N 3.08Å
104	N	29.9	Very low	26.1	Very low	111 Å²	111	119.5 Å²	119.5	59%	0.594	65%	0.645	S	S	*	*			trans	-51.6	105.2	168	175.7	8.9	0	0	0	111.2	W106	N104-W106 PolarHBondContact O-N 2.72Å; N104-W106 VanDerWaalsContact OD1-CB 3.28Å; N104-W106 WeakPolarHBondContact OD1-CB 3.3Å; N104-W106 PolarHBondContact OD1-N 2.92Å
105	P	33.3	Very low	26	Very low	67 Å²	67	118.6 Å²	118.6	44%	0.435	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-79.1	-4.8	-179.2	-7.1	25.5	0	0	0	112.6	N103 S107 H108	N103-P105 WeakPolarHBondContact O-CD 3.42Å; N103-P105 WeakPolarHBondContact O-CG 3.22Å; N103-P105 VanDerWaalsContact O-N 3.08Å; P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 2.86Å; P105-H108 PolarHBondContact O-CE1 3.5Å; P105-H108 PolarHBondContact O-ND1 3.02Å
106	W	30.8	Very low	26.1	Very low	132 Å²	132	117.2 Å²	117.2	50%	0.5	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-86.4	9.5	-165.7	-55	-14.7	0	0	0	114.6	L8 N104 H108 L109	L8-W106 HydrophobicContact CD2-CH2 4.12Å; L8-W106 HydrophobicContact CD2-CZ3 3.83Å; N104-W106 PolarHBondContact O-N 2.72Å; N104-W106 VanDerWaalsContact OD1-CB 3.28Å; N104-W106 WeakPolarHBondContact OD1-CB 3.3Å; N104-W106 PolarHBondContact OD1-N 2.92Å; W106-H108 PolarHBondContact O-N 2.87Å; W106-H108 VanDerWaalsContact O-N 3.1Å; W106-L109 HydrophobicContact CB-CD1 4.39Å; W106-L109 PolarHBondContact O-N 2.94Å; W106-L109 VanDerWaalsContact O-N 3.08Å
107	S	30.3	Very low	26.2	Very low	111 Å²	111	118.4 Å²	118.4	78%	0.776	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-60.2	-21.4	179.2	57.1	0	0	0	0	113.9	P105	P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 2.86Å
108	H	29	Very low	26.2	Very low	146 Å²	146	115.6 Å²	115.6	68%	0.676	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-88.2	-9.7	178.6	59.2	-90.7	0	0	0	114.1	P105 W106 N110	P105-H108 PolarHBondContact O-CE1 3.5Å; P105-H108 PolarHBondContact O-ND1 3.02Å; W106-H108 PolarHBondContact O-N 2.87Å; W106-H108 VanDerWaalsContact O-N 3.1Å; H108-N110 PolarHBondContact O-N 2.7Å; H108-N110 VanDerWaalsContact O-N 3.13Å
109	L	26.8	Very low	26.2	Very low	95 Å²	95	119.8 Å²	119.8	50%	0.497	65%	0.648	S	S	.	*			trans	-79.9	98.4	172.2	-67.5	176.1	0	0	0	107.9	W106 L111	W106-L109 HydrophobicContact CB-CD1 4.39Å; W106-L109 PolarHBondContact O-N 2.94Å; W106-L109 VanDerWaalsContact O-N 3.08Å; L109-L111 HydrophobicContact CB-CD2 4.23Å; L109-L111 HydrophobicContact CB-CG 4.2Å; L109-L111 PolarHBondContact O-N 2.99Å
110	N	27.4	Very low	26.3	Very low	122 Å²	122	120.6 Å²	120.6	65%	0.652	65%	0.65	S	S	*	*			trans	-71.3	74.3	173.3	-168.6	8.5	0	0	0	110	H108 S112 S113	H108-N110 PolarHBondContact O-N 2.7Å; H108-N110 VanDerWaalsContact O-N 3.13Å; N110-S112 VanDerWaalsContact CG-OG 3.28Å; N110-S112 PolarHBondContact ND2-OG 2.83Å; N110-S112 PolarHBondContact O-N 2.85Å; N110-S112 VanDerWaalsContact OD1-CB 3.28Å; N110-S112 WeakPolarHBondContact OD1-CB 3.37Å; N110-S112 PolarHBondContact OD1-N 3.29Å; N110-S112 PolarHBondContact OD1-OG 3.3Å; N110-S113 PolarHBondContact O-OG 3.27Å
111	L	29.7	Very low	26.3	Very low	84 Å²	84	115.3 Å²	115.3	44%	0.44	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-69	4.6	176.6	-58.1	175.1	0	0	0	112.3	L9 L109 S113 L114	L9-L111 HydrophobicContact CD1-CD1 4.08Å; L109-L111 HydrophobicContact CB-CD2 4.23Å; L109-L111 HydrophobicContact CB-CG 4.2Å; L109-L111 PolarHBondContact O-N 2.99Å; L111-S113 PolarHBondContact O-N 2.84Å; L111-S113 VanDerWaalsContact O-N 3.15Å; L111-L114 HydrophobicContact CB-CD1 3.99Å; L111-L114 HydrophobicContact CD2-CD1 3.45Å; L111-L114 VanDerWaalsContact CD2-CD1 3.45Å; L111-L114 HydrophobicContact CG-CD1 4.23Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.69Å
112	S	26	Very low	26.3	Very low	92 Å²	92	115.7 Å²	115.7	64%	0.643	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-61.1	-19.8	173.2	65.9	0	0	0	0	113.2	N110 L114	N110-S112 VanDerWaalsContact CG-OG 3.28Å; N110-S112 PolarHBondContact ND2-OG 2.83Å; N110-S112 PolarHBondContact O-N 2.85Å; N110-S112 VanDerWaalsContact OD1-CB 3.28Å; N110-S112 WeakPolarHBondContact OD1-CB 3.37Å; N110-S112 PolarHBondContact OD1-N 3.29Å; N110-S112 PolarHBondContact OD1-OG 3.3Å; S112-L114 VanDerWaalsContact C-N 3.32Å
113	S	26.4	Very low	26.4	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-79.6	-10.6	172.6	60.8	0	0	0	0	114	N110 L111 P115	N110-S113 PolarHBondContact O-OG 3.27Å; L111-S113 PolarHBondContact O-N 2.84Å; L111-S113 VanDerWaalsContact O-N 3.15Å; S113-P115 WeakPolarHBondContact O-CD 3.44Å
114	L	24.1	Very low	26.4	Very low	98 Å²	98	121 Å²	121	51%	0.513	65%	0.649	S	S	.	*	S	Bend	trans	-75.7	118.5	165.7	-86.7	133.8	0	0	0	107.2	L111 S112 S116	L111-L114 HydrophobicContact CB-CD1 3.99Å; L111-L114 HydrophobicContact CD2-CD1 3.45Å; L111-L114 VanDerWaalsContact CD2-CD1 3.45Å; L111-L114 HydrophobicContact CG-CD1 4.23Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.69Å; S112-L114 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 2.82Å
115	P	22.1	Very low	26.6	Very low	85 Å²	85	122.4 Å²	122.4	55%	0.552	66%	0.662	S	S	*	*			trans	-49.3	131.1	178	-21.1	29.8	0	0	0	108.2	S113 M117	S113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-M117 WeakPolarHBondContact O-CG 3.26Å; P115-M117 PolarHBondContact O-N 2.87Å
116	S	23.6	Very low	26.5	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	67%	0.674	S	S	*	*			trans	-49.7	86.8	176	48.1	0	0	0	0	110.6	L114 M118	L114-S116 PolarHBondContact O-N 2.82Å; S116-M118 PolarHBondContact O-N 3.03Å
117	M	25	Very low	26.8	Very low	155 Å²	155	127.6 Å²	127.6	76%	0.764	69%	0.69	S	S	*	*			trans	-80.5	52.6	179.6	-79.1	-178.3	72.5	0	0	109.9	P115	P115-M117 WeakPolarHBondContact O-CG 3.26Å; P115-M117 PolarHBondContact O-N 2.87Å
118	M	22.9	Very low	26.8	Very low	103 Å²	103	128.7 Å²	128.7	51%	0.507	68%	0.683	S	S	.	*			trans	-155.1	77	167.5	-77.2	-159.8	168.7	0	0	107.3	Y7 A12 S116 E120	Y7-M118 HydrophobicContact CD1-CE 4.31Å; Y7-M118 HydrophobicContact CE1-CE 3.69Å; Y7-M118 HydrophobicContact CE1-SD 3.61Å; A12-M118 HydrophobicContact CB-CE 3.62Å; S116-M118 PolarHBondContact O-N 3.03Å; M118-E120 PolarHBondContact O-N 2.8Å
119	N	23.3	Very low	27	Very low	153 Å²	153	127.3 Å²	127.3	82%	0.818	68%	0.677	S	S	*	*			trans	-73.9	116.7	155.2	-144.8	7.8	0	0	0	105.1	S121	N119-S121 PolarHBondContact O-N 2.87Å
120	E	23.2	Very low	27.4	Very low	170 Å²	170	128.6 Å²	128.6	79%	0.794	68%	0.68	S	S	*	*			trans	-62.9	77.4	169.1	-74	-179.8	139.3	0	0	108.1	M118	M118-E120 PolarHBondContact O-N 2.8Å
121	S	23.1	Very low	27.4	Very low	85 Å²	85	129 Å²	129	59%	0.594	68%	0.676	S	S	*	*			trans	-96.2	105.2	167.9	60.2	0	0	0	0	107.9	N119	N119-S121 PolarHBondContact O-N 2.87Å
122	D	23.8	Very low	27.5	Very low	145 Å²	145	131.2 Å²	131.2	78%	0.775	68%	0.682	S	S	*	*			trans	-14.3	135.8	172.4	-69.3	-50.5	0	0	0	117.8	H124	D122-H124 PolarHBondContact O-N 2.7Å
123	Y	26.5	Very low	27.6	Very low	192 Å²	192	130 Å²	130	75%	0.753	67%	0.674	S	S	*	*			trans	-36.1	91.9	158.7	-91.9	-103.5	0	0	0	112.3
124	H	26.8	Very low	27.9	Very low	173 Å²	173	128.4 Å²	128.4	80%	0.801	66%	0.659	S	S	*	*			trans	-136.2	129.9	150.1	-88.4	-64.7	0	0	0	109.2	D122 D126	D122-H124 PolarHBondContact O-N 2.7Å; H124-D126 PolarHBondContact O-N 3.13Å
125	T	34.1	Very low	28.1	Very low	141 Å²	141	132.4 Å²	132.4	87%	0.865	68%	0.675	S	S	*	*			trans	-64.1	63.9	-173.2	-35.8	0	0	0	0	111.9
126	D	31.5	Very low	28.4	Very low	130 Å²	130	131.3 Å²	131.3	70%	0.695	66%	0.664	S	S	*	*			trans	-125.4	128.4	164.7	-97.2	-31.6	0	0	0	108.1	H124 Q128	H124-D126 PolarHBondContact O-N 3.13Å; D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.89Å
127	H	36.8	Very low	28.8	Very low	179 Å²	179	129.9 Å²	129.9	83%	0.829	65%	0.651	S	S	*	*			trans	-64.9	67.6	178.8	-64	-58.7	0	0	0	110.9	Q129	H127-Q129 VanDerWaalsContact C-N 3.29Å; H127-Q129 PolarHBondContact O-N 3.22Å
128	Q	31.4	Very low	29.2	Very low	133 Å²	133	128.1 Å²	128.1	62%	0.621	64%	0.641	S	S	*	*			trans	-73.3	88.2	177	-68.8	-163.2	-9.5	0	0	109	D126 H130	D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.89Å; Q128-H130 PolarHBondContact O-N 3.44Å; Q128-H130 VanDerWaalsContact O-N 3.14Å
129	Q	33.7	Very low	29.9	Very low	117 Å²	117	130.3 Å²	130.3	55%	0.547	65%	0.65	S	S	.	*			trans	-61.8	106.9	164.7	-69	178.8	-22.1	0	0	108	H127 K131	H127-Q129 VanDerWaalsContact C-N 3.29Å; H127-Q129 PolarHBondContact O-N 3.22Å; Q129-K131 PolarHBondContact O-N 2.77Å; Q129-K131 VanDerWaalsContact O-N 3.12Å
130	H	34	Very low	30.6	Very low	122 Å²	122	129.6 Å²	129.6	57%	0.565	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.2	93.4	171.5	-68.9	-71.2	0	0	0	108.6	Q128	Q128-H130 PolarHBondContact O-N 3.44Å; Q128-H130 VanDerWaalsContact O-N 3.14Å
131	K	28	Very low	31.3	Very low	130 Å²	130	123.6 Å²	123.6	57%	0.565	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.1	119.7	173.5	178.1	171.5	172.6	145.6	0	109.6	E75 Q129	E75-K131 HydrophobicContact CG-CG 4.29Å; E75-K131 VanDerWaalsContact OE1-CD 3.22Å; E75-K131 WeakPolarHBondContact OE1-CD 3.33Å; E75-K131 WeakPolarHBondContact OE1-CE 3.36Å; E75-K131 IonicContact OE1-NZ 3.68Å; E75-K131 PolarHBondContact OE1-NZ 2.74Å; E75-K131 IonicContact OE2-NZ 2.69Å; E75-K131 PolarHBondContact OE2-NZ 2.84Å; E75-K131 VanDerWaalsContact OE2-NZ 3.13Å; Q129-K131 PolarHBondContact O-N 2.77Å; Q129-K131 VanDerWaalsContact O-N 3.12Å
132	K	31.6	Very low	32.1	Very low	132 Å²	132	124.6 Å²	124.6	57%	0.574	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.5	126	171.2	-167.5	173.6	-177.9	178.9	0	109.8	I76	I76-K132 PolarHBondContact N-O 2.67Å
133	S	28.3	Very low	33	Very low	67 Å²	67	121 Å²	121	47%	0.469	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	142.1	169.9	52.8	0	0	0	0	109.6	E73	E73-S133 WeakPolarHBondContact OE1-CB 3.48Å
134	V	32.1	Very low	33.8	Very low	70 Å²	70	117.6 Å²	117.6	42%	0.424	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	115.9	170.8	-177.8	0	0	0	0	107	L136	V134-L136 HydrophobicContact CG1-CD2 3.92Å; V134-L136 HydrophobicContact CG1-CG 4.12Å
135	E	28	Very low	34.4	Very low	182 Å²	182	111.8 Å²	111.8	85%	0.85	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.9	118.2	173.1	-165.3	173.2	-168	0	0	108.3
136	L	29.6	Very low	34.8	Very low	62 Å²	62	110.3 Å²	110.3	33%	0.325	54%	0.536	S	S	.	.			trans	-111	125.4	179.3	-67.3	174	0	0	0	109	V134 F141	V134-L136 HydrophobicContact CG1-CD2 3.92Å; V134-L136 HydrophobicContact CG1-CG 4.12Å; L136-F141 HydrophobicContact CB-CB 4.38Å; L136-F141 HydrophobicContact CD1-CD2 4.07Å
137	T	31.4	Very low	35.4	Very low	87 Å²	87	108.7 Å²	108.7	53%	0.534	53%	0.525	S	S	.	.			trans	-69.1	150.2	167.9	56.7	0	0	0	0	109.9	E139 K140 F141	T137-E139 VanDerWaalsContact C-N 3.31Å; T137-E139 PolarHBondContact O-N 3.5Å; T137-K140 PolarHBondContact O-N 3.22Å; T137-F141 PolarHBondContact O-N 3.42Å
138	E	33.8	Very low	35.6	Very low	117 Å²	117	101.5 Å²	101.5	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-48.7	-48.9	-176.4	-169.3	168.4	-163.7	0	0	112.4	K140 F141 E142	E138-K140 PolarHBondContact O-N 3.16Å; E138-F141 WeakPolarHBondContact O-CB 3.22Å; E138-F141 PolarHBondContact O-N 3.1Å; E138-F141 VanDerWaalsContact O-N 3.14Å; E138-E142 WeakPolarHBondContact O-CG 3.34Å; E138-E142 PolarHBondContact O-N 2.96Å
139	E	36.8	Very low	36	Very low	150 Å²	150	96.8 Å²	96.8	70%	0.701	48%	0.48	S	S	*	.	H	α-helix	trans	-59.9	-41	178.6	-171.9	-175.7	-174.1	0	0	113.6	T137 T143	T137-E139 VanDerWaalsContact C-N 3.31Å; T137-E139 PolarHBondContact O-N 3.5Å; E139-T143 PolarHBondContact O-N 3.08Å; E139-T143 VanDerWaalsContact O-N 3.1Å; E139-T143 PolarHBondContact O-OG1 3.5Å
140	K	38.2	Very low	36.5	Very low	137 Å²	137	94.9 Å²	94.9	60%	0.596	47%	0.474	S	S	*	.	H	α-helix	trans	-71.3	-35.8	177.4	-79.5	-177.9	179.2	174.5	0	111.3	T137 E138 K144	T137-K140 PolarHBondContact O-N 3.22Å; E138-K140 PolarHBondContact O-N 3.16Å; K140-K144 WeakPolarHBondContact O-CB 3.4Å; K140-K144 VanDerWaalsContact O-CG 3.26Å; K140-K144 WeakPolarHBondContact O-CG 3.21Å; K140-K144 PolarHBondContact O-N 3.1Å
141	F	38.4	Very low	36.8	Very low	45 Å²	45	91.3 Å²	91.3	20%	0.197	47%	0.466	C	S	.	.	H	α-helix	trans	-66.4	-47.2	176.5	-176.7	-101	0	0	0	111.1	F56 I72 L136 T137 E138 T143 K144 L145	F56-F141 HydrophobicContact CE1-CE1 4.24Å; F56-F141 AromaticContact CE1-CZ 3.99Å; F56-F141 HydrophobicContact CE1-CZ 3.99Å; I72-F141 HydrophobicContact CD1-CD1 4.3Å; I72-F141 HydrophobicContact CD1-CE1 4.01Å; I72-F141 HydrophobicContact CD1-CZ 4.12Å; L136-F141 HydrophobicContact CB-CB 4.38Å; L136-F141 HydrophobicContact CD1-CD2 4.07Å; T137-F141 PolarHBondContact O-N 3.42Å; E138-F141 WeakPolarHBondContact O-CB 3.22Å; E138-F141 PolarHBondContact O-N 3.1Å; E138-F141 VanDerWaalsContact O-N 3.14Å; F141-T143 VanDerWaalsContact C-N 3.35Å; F141-T143 PolarHBondContact O-N 2.88Å; F141-K144 PolarHBondContact O-N 2.8Å; F141-L145 WeakPolarHBondContact O-CB 3.4Å; F141-L145 PolarHBondContact O-N 3.13Å
142	E	40	Very low	37.2	Very low	105 Å²	105	87.6 Å²	87.6	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-57.3	-46.6	175.3	-73.9	-173.7	163	0	0	111.9	E138 K144 L145 Q146	E138-E142 WeakPolarHBondContact O-CG 3.34Å; E138-E142 PolarHBondContact O-N 2.96Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.36Å; E142-L145 PolarHBondContact O-N 2.86Å; E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 PolarHBondContact O-N 3.3Å
143	T	42.5	Very low	37.7	Very low	71 Å²	71	85.9 Å²	85.9	44%	0.436	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-45.8	177.9	-53.5	0	0	0	0	111.2	E139 F141 Q146 E147	E139-T143 PolarHBondContact O-N 3.08Å; E139-T143 VanDerWaalsContact O-N 3.1Å; E139-T143 PolarHBondContact O-OG1 3.5Å; F141-T143 VanDerWaalsContact C-N 3.35Å; F141-T143 PolarHBondContact O-N 2.88Å; T143-Q146 PolarHBondContact O-N 3.28Å; T143-E147 WeakPolarHBondContact O-CG 3.22Å; T143-E147 PolarHBondContact O-N 2.86Å
144	K	42.8	Very low	38.3	Very low	119 Å²	119	89.8 Å²	89.8	52%	0.517	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-36.4	178.7	-73	-74.2	159.9	-149.1	0	112.6	K140 F141 E142 E147 A148	K140-K144 WeakPolarHBondContact O-CB 3.4Å; K140-K144 VanDerWaalsContact O-CG 3.26Å; K140-K144 WeakPolarHBondContact O-CG 3.21Å; K140-K144 PolarHBondContact O-N 3.1Å; F141-K144 PolarHBondContact O-N 2.8Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.36Å; K144-E147 IonicContact NZ-OE1 3.44Å; K144-E147 IonicContact NZ-OE2 3.22Å; K144-E147 PolarHBondContact NZ-OE2 2.84Å; K144-A148 WeakPolarHBondContact O-CB 3.38Å; K144-A148 PolarHBondContact O-N 2.93Å
145	L	40.3	Very low	38.6	Very low	52 Å²	52	90.3 Å²	90.3	27%	0.272	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-41.7	175.4	-168.6	75.4	0	0	0	110.9	L57 F141 E142 A148 A149	L57-L145 HydrophobicContact CD2-CD2 4.03Å; F141-L145 WeakPolarHBondContact O-CB 3.4Å; F141-L145 PolarHBondContact O-N 3.13Å; E142-L145 PolarHBondContact O-N 2.86Å; L145-A148 PolarHBondContact O-N 3.47Å; L145-A149 WeakPolarHBondContact O-CB 3.36Å; L145-A149 PolarHBondContact O-N 2.9Å
146	Q	42.7	Very low	39	Very low	109 Å²	109	88.1 Å²	88.1	51%	0.509	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-41.9	176.2	-170.7	62.5	50.9	0	0	111.8	E142 T143 A148 A149 N150	E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 PolarHBondContact O-N 3.3Å; T143-Q146 PolarHBondContact O-N 3.28Å; Q146-A148 VanDerWaalsContact C-N 3.29Å; Q146-A148 PolarHBondContact O-N 2.87Å; Q146-A149 PolarHBondContact O-N 2.67Å; Q146-N150 PolarHBondContact NE2-OD1 3.15Å; Q146-N150 WeakPolarHBondContact O-CB 3Å; Q146-N150 PolarHBondContact O-N 3.12Å; Q146-N150 PolarHBondContact O-ND2 3.14Å
147	E	43.9	Very low	39.6	Very low	96 Å²	96	87.2 Å²	87.2	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-56.4	-44.6	171.5	-76.2	174.6	-173.5	0	0	111.1	T143 K144 N150 A151	T143-E147 WeakPolarHBondContact O-CG 3.22Å; T143-E147 PolarHBondContact O-N 2.86Å; K144-E147 IonicContact NZ-OE1 3.44Å; K144-E147 IonicContact NZ-OE2 3.22Å; K144-E147 PolarHBondContact NZ-OE2 2.84Å; E147-N150 PolarHBondContact O-N 3.14Å; E147-A151 WeakPolarHBondContact O-CB 3.29Å; E147-A151 PolarHBondContact O-N 2.56Å
148	A	40.7	Very low	39.7	Very low	28 Å²	28	88.7 Å²	88.7	23%	0.231	46%	0.456	C	S	.	.	H	α-helix	trans	-67.7	-41	177.6	0	0	0	0	0	112.8	F49 K144 L145 Q146 A151 S152	F49-A148 HydrophobicContact CD1-CB 4.25Å; F49-A148 HydrophobicContact CE1-CB 4.4Å; K144-A148 WeakPolarHBondContact O-CB 3.38Å; K144-A148 PolarHBondContact O-N 2.93Å; L145-A148 PolarHBondContact O-N 3.47Å; Q146-A148 VanDerWaalsContact C-N 3.29Å; Q146-A148 PolarHBondContact O-N 2.87Å; A148-A151 PolarHBondContact O-N 3.35Å; A148-S152 WeakPolarHBondContact O-CB 3.4Å; A148-S152 PolarHBondContact O-N 2.79Å
149	A	38.8	Very low	39.7	Very low	35 Å²	35	85.9 Å²	85.9	29%	0.289	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-42	175.8	0	0	0	0	0	111.5	L145 Q146 S152 N153	L145-A149 WeakPolarHBondContact O-CB 3.36Å; L145-A149 PolarHBondContact O-N 2.9Å; Q146-A149 PolarHBondContact O-N 2.67Å; A149-S152 WeakPolarHBondContact O-CB 3.28Å; A149-S152 PolarHBondContact O-N 3.19Å; A149-N153 WeakPolarHBondContact O-CB 2.91Å; A149-N153 PolarHBondContact O-N 3.49Å
150	N	44.5	Very low	39.9	Very low	76 Å²	76	82.3 Å²	82.3	41%	0.406	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-42.7	174.9	-70.6	-13.7	0	0	0	111.2	Q146 E147 S152 N153 H154	Q146-N150 PolarHBondContact NE2-OD1 3.15Å; Q146-N150 WeakPolarHBondContact O-CB 3Å; Q146-N150 PolarHBondContact O-N 3.12Å; Q146-N150 PolarHBondContact O-ND2 3.14Å; E147-N150 PolarHBondContact O-N 3.14Å; N150-S152 PolarHBondContact O-N 2.93Å; N150-N153 PolarHBondContact O-N 3.07Å; N150-H154 WeakPolarHBondContact O-CB 3.43Å; N150-H154 PolarHBondContact O-N 3.22Å
151	A	39.5	Very low	40.1	Very low	48 Å²	48	79.8 Å²	79.8	40%	0.397	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-43.2	174.3	0	0	0	0	0	111.8	E147 A148 H154 I155	E147-A151 WeakPolarHBondContact O-CB 3.29Å; E147-A151 PolarHBondContact O-N 2.56Å; A148-A151 PolarHBondContact O-N 3.35Å; A151-H154 PolarHBondContact O-N 2.84Å; A151-I155 WeakPolarHBondContact O-CD1 3.41Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.01Å; A151-I155 PolarHBondContact O-N 2.7Å
152	S	37.2	Very low	39.8	Very low	52 Å²	52	80.3 Å²	80.3	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.2	178	0	0	0	0	112.2	A148 A149 N150 I155 K156	A148-S152 WeakPolarHBondContact O-CB 3.4Å; A148-S152 PolarHBondContact O-N 2.79Å; A149-S152 WeakPolarHBondContact O-CB 3.28Å; A149-S152 PolarHBondContact O-N 3.19Å; N150-S152 PolarHBondContact O-N 2.93Å; S152-I155 PolarHBondContact O-N 3.48Å; S152-K156 PolarHBondContact O-N 3.03Å
153	N	42.4	Very low	39.6	Very low	95 Å²	95	81.2 Å²	81.2	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-64.3	-40.7	175.7	-75.4	-19.9	0	0	0	112	A149 N150 I155 K156 G157	A149-N153 WeakPolarHBondContact O-CB 2.91Å; A149-N153 PolarHBondContact O-N 3.49Å; N150-N153 PolarHBondContact O-N 3.07Å; N153-I155 VanDerWaalsContact C-N 3.34Å; N153-I155 PolarHBondContact O-N 3.24Å; N153-K156 PolarHBondContact O-N 3.17Å; N153-G157 PolarHBondContact O-N 2.83Å
154	H	41	Very low	39.1	Very low	149 Å²	149	81.9 Å²	81.9	69%	0.69	46%	0.46	S	S	*	.	H	α-helix	trans	-61.5	-41.3	171.9	-78.9	177.4	0	0	0	111.9	N150 A151 G157 F158	N150-H154 WeakPolarHBondContact O-CB 3.43Å; N150-H154 PolarHBondContact O-N 3.22Å; A151-H154 PolarHBondContact O-N 2.84Å; H154-G157 PolarHBondContact O-N 2.86Å; H154-F158 VanDerWaalsContact O-CB 3.22Å; H154-F158 WeakPolarHBondContact O-CB 3.42Å; H154-F158 PolarHBondContact O-N 2.96Å
155	I	37.2	Very low	38.4	Very low	81 Å²	81	79.9 Å²	79.9	42%	0.415	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-45.5	175.5	-69.1	161.8	0	0	0	110.7	A151 S152 N153 F158 L159	A151-I155 WeakPolarHBondContact O-CD1 3.41Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.01Å; A151-I155 PolarHBondContact O-N 2.7Å; S152-I155 PolarHBondContact O-N 3.48Å; N153-I155 VanDerWaalsContact C-N 3.34Å; N153-I155 PolarHBondContact O-N 3.24Å; I155-F158 PolarHBondContact O-N 3.44Å; I155-L159 HydrophobicContact CG2-CD1 3.84Å; I155-L159 HydrophobicContact CG2-CG 4.3Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.26Å; I155-L159 WeakPolarHBondContact O-CG 3.28Å; I155-L159 PolarHBondContact O-N 3.31Å
156	K	38.2	Very low	38	Very low	137 Å²	137	84 Å²	84	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-61	-47.2	176.8	-76.9	-177.8	179.5	179.8	0	111.5	S152 N153 F158 L159 A160	S152-K156 PolarHBondContact O-N 3.03Å; N153-K156 PolarHBondContact O-N 3.17Å; K156-F158 VanDerWaalsContact C-N 3.31Å; K156-F158 PolarHBondContact O-N 2.77Å; K156-L159 PolarHBondContact O-N 2.92Å; K156-A160 WeakPolarHBondContact O-CB 3.45Å; K156-A160 PolarHBondContact O-N 3.2Å
157	G	40.9	Very low	37.3	Very low	42 Å²	42	85.6 Å²	85.6	43%	0.433	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-41.7	176.1	0	0	0	0	0	111.9	N153 H154 A160 A161	N153-G157 PolarHBondContact O-N 2.83Å; H154-G157 PolarHBondContact O-N 2.86Å; G157-A160 PolarHBondContact O-N 3.36Å; G157-A161 VanDerWaalsContact O-CB 3.23Å; G157-A161 WeakPolarHBondContact O-CB 3.32Å; G157-A161 PolarHBondContact O-N 3.38Å
158	F	35	Very low	36.5	Very low	119 Å²	119	91.8 Å²	91.8	52%	0.522	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-42.9	177	-175.2	-97.6	0	0	0	112.5	H154 I155 K156 A160 A161 T162	H154-F158 VanDerWaalsContact O-CB 3.22Å; H154-F158 WeakPolarHBondContact O-CB 3.42Å; H154-F158 PolarHBondContact O-N 2.96Å; I155-F158 PolarHBondContact O-N 3.44Å; K156-F158 VanDerWaalsContact C-N 3.31Å; K156-F158 PolarHBondContact O-N 2.77Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 3.16Å; F158-A161 PolarHBondContact O-N 3.33Å; F158-T162 HydrophobicContact CD1-CG2 4Å; F158-T162 HydrophobicContact CD2-CG2 4.25Å; F158-T162 HydrophobicContact CE1-CG2 3.59Å; F158-T162 HydrophobicContact CE2-CG2 3.87Å; F158-T162 HydrophobicContact CG-CG2 4.32Å; F158-T162 HydrophobicContact CZ-CG2 3.52Å; F158-T162 WeakPolarHBondContact O-CB 3.43Å; F158-T162 WeakPolarHBondContact O-CG2 3.44Å; F158-T162 PolarHBondContact O-N 3.36Å; F158-T162 PolarHBondContact O-OG1 3.16Å
159	L	32.7	Very low	35.7	Very low	58 Å²	58	98 Å²	98	30%	0.304	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-39.7	175.8	-71.3	171.5	0	0	0	111.7	I155 K156 T162 I164	I155-L159 HydrophobicContact CG2-CD1 3.84Å; I155-L159 HydrophobicContact CG2-CG 4.3Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.26Å; I155-L159 WeakPolarHBondContact O-CG 3.28Å; I155-L159 PolarHBondContact O-N 3.31Å; K156-L159 PolarHBondContact O-N 2.92Å; L159-T162 WeakPolarHBondContact CA-OG1 3.37Å; L159-T162 PolarHBondContact O-OG1 2.98Å; L159-I164 HydrophobicContact CD2-CB 4.45Å; L159-I164 HydrophobicContact CD2-CD1 4.11Å; L159-I164 PolarHBondContact O-N 2.74Å
160	A	41.3	Very low	35	Very low	75 Å²	75	99.1 Å²	99.1	62%	0.62	56%	0.555	S	S	*	*	H	α-helix	trans	-65.6	-44	173.6	0	0	0	0	0	111.8	K156 G157 F158 N163	K156-A160 WeakPolarHBondContact O-CB 3.45Å; K156-A160 PolarHBondContact O-N 3.2Å; G157-A160 PolarHBondContact O-N 3.36Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 3.16Å; A160-N163 PolarHBondContact O-N 3.18Å
161	A	41.5	Very low	34.3	Very low	84 Å²	84	106.9 Å²	106.9	69%	0.694	59%	0.594	S	S	*	*	H	α-helix	trans	-69.9	-32.9	-179.4	0	0	0	0	0	113.3	G157 F158 N163	G157-A161 VanDerWaalsContact O-CB 3.23Å; G157-A161 WeakPolarHBondContact O-CB 3.32Å; G157-A161 PolarHBondContact O-N 3.38Å; F158-A161 PolarHBondContact O-N 3.33Å; A161-N163 PolarHBondContact O-N 3.28Å
162	T	33.5	Very low	34	Very low	55 Å²	55	109.8 Å²	109.8	34%	0.337	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	2.6	178.3	48.4	0	0	0	0	113.2	F158 L159 I164	F158-T162 HydrophobicContact CD1-CG2 4Å; F158-T162 HydrophobicContact CD2-CG2 4.25Å; F158-T162 HydrophobicContact CE1-CG2 3.59Å; F158-T162 HydrophobicContact CE2-CG2 3.87Å; F158-T162 HydrophobicContact CG-CG2 4.32Å; F158-T162 HydrophobicContact CZ-CG2 3.52Å; F158-T162 WeakPolarHBondContact O-CB 3.43Å; F158-T162 WeakPolarHBondContact O-CG2 3.44Å; F158-T162 PolarHBondContact O-N 3.36Å; F158-T162 PolarHBondContact O-OG1 3.16Å; L159-T162 WeakPolarHBondContact CA-OG1 3.37Å; L159-T162 PolarHBondContact O-OG1 2.98Å; T162-I164 PolarHBondContact O-N 2.81Å; T162-I164 VanDerWaalsContact OG1-CD1 3.3Å; T162-I164 WeakPolarHBondContact OG1-CD1 3.32Å; T162-I164 WeakPolarHBondContact OG1-CG1 3.39Å
163	N	35.5	Very low	33.9	Very low	125 Å²	125	112.8 Å²	112.8	67%	0.668	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.5	26	-178.1	-120.9	1	0	0	0	112.1	A160 A161 T165	A160-N163 PolarHBondContact O-N 3.18Å; A161-N163 PolarHBondContact O-N 3.28Å; N163-T165 PolarHBondContact O-N 2.78Å; N163-T165 PolarHBondContact O-OG1 3.38Å
164	I	31.3	Very low	33.4	Very low	84 Å²	84	113.8 Å²	113.8	43%	0.431	62%	0.622	S	S	.	*			trans	-74.2	63.7	166.7	-56.3	173.2	0	0	0	105.5	L159 T162	L159-I164 HydrophobicContact CD2-CB 4.45Å; L159-I164 HydrophobicContact CD2-CD1 4.11Å; L159-I164 PolarHBondContact O-N 2.74Å; T162-I164 PolarHBondContact O-N 2.81Å; T162-I164 VanDerWaalsContact OG1-CD1 3.3Å; T162-I164 WeakPolarHBondContact OG1-CD1 3.32Å; T162-I164 WeakPolarHBondContact OG1-CG1 3.39Å
165	T	29	Very low	32.9	Very low	77 Å²	77	111.8 Å²	111.8	47%	0.472	62%	0.618	S	S	.	*			trans	-67.3	148	171.3	41.3	0	0	0	0	107.1	N163 N167	N163-T165 PolarHBondContact O-N 2.78Å; N163-T165 PolarHBondContact O-OG1 3.38Å; T165-N167 PolarHBondContact O-N 2.83Å
166	N	30.8	Very low	32.7	Very low	139 Å²	139	113.7 Å²	113.7	74%	0.743	63%	0.631	S	S	*	*	S	Bend	trans	-61.4	27.6	-166.6	-61.9	-47.1	0	0	0	116.4	W168 L169	N166-W168 PolarHBondContact O-N 3.28Å; N166-L169 PolarHBondContact O-N 3.42Å; N166-L169 VanDerWaalsContact O-N 3.13Å
167	N	28.3	Very low	32.3	Very low	142 Å²	142	112.1 Å²	112.1	76%	0.759	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-61.9	-5.6	170.9	-74.3	-4.2	0	0	0	113.4	T165 L169	T165-N167 PolarHBondContact O-N 2.83Å; N167-L169 VanDerWaalsContact C-N 3.28Å
168	W	26.2	Very low	31.7	Very low	227 Å²	227	117.1 Å²	117.1	86%	0.86	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-80.1	-5.1	172.7	-71.8	75.8	0	0	0	114	N166	N166-W168 PolarHBondContact O-N 3.28Å
169	L	25.9	Very low	31.4	Very low	158 Å²	158	117 Å²	117	83%	0.827	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-109.8	17.3	171.4	-70.9	173.2	0	0	0	113.1	N166 N167 I171	N166-L169 PolarHBondContact O-N 3.42Å; N166-L169 VanDerWaalsContact O-N 3.13Å; N167-L169 VanDerWaalsContact C-N 3.28Å; L169-I171 PolarHBondContact O-N 3.28Å
170	G	23.7	Very low	31.3	Very low	59 Å²	59	121.9 Å²	121.9	61%	0.608	69%	0.687	S	S	*	*			trans	-74.4	112	174.5	0	0	0	0	0	111.9
171	I	29	Very low	30.4	Very low	238 Å²	238	126.2 Å²	126.2	100%	1.221	69%	0.693	S	S	*	*			trans	-29.1	0	138.4	-59.6	162.2	0	0	0	111	L169	L169-I171 PolarHBondContact O-N 3.28Å

Retrieved 171 of 171 residues in 37.8 ms (Link to these results)

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