A0A087WU81_HUMAN Loading...

Alcohol dehydrogenase 1C (class I), gamma polypeptide

AlphaFold DB , UniProt , Accession A0A087WU81, Species HUMAN (Homo sapiens, Human), Gene ADH1C, Length 192 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	93.8	Very high	98	Very high	60 Å²	60	60.8 Å²	60.8	30%	0.296	33%	0.329	S	S	.	.				0	138.2	0	-70.5	-56.1	157.8	0	0	108.8	A30 P52 T106 Q109 T111	M1-A30 HydrophobicContact SD-CB 4.04Å; M1-P52 HydrophobicContact CE-CG 3.71Å; M1-P52 HydrophobicContact SD-CG 4.37Å; M1-T106 HydrophobicContact CE-CG2 4.47Å; M1-Q109 PolarHBondContact N-O 2.77Å; M1-T111 HydrophobicContact CE-CG2 3.19Å
2	V	97.9	Very high	98.1	Very high	88 Å²	88	60.8 Å²	60.8	53%	0.533	33%	0.325	S	S	.	.			trans	-91.2	-41.4	177.3	175.6	0	0	0	0	110.1	A31 I33 L127	V2-A31 PolarHBondContact N-O 2.93Å; V2-I33 HydrophobicContact CG2-CD1 4.2Å; V2-I33 HydrophobicContact CG2-CG1 4.25Å; V2-L127 HydrophobicContact CB-CB 4.27Å; V2-L127 HydrophobicContact CB-CD1 3.78Å; V2-L127 HydrophobicContact CG1-CB 4.06Å; V2-L127 HydrophobicContact CG1-CD1 4Å; V2-L127 HydrophobicContact CG2-CD1 3.73Å
3	A	98.6	Very high	98.1	Very high	18 Å²	18	57.2 Å²	57.2	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144	175.3	0	0	0	0	0	110.7	A30 A31 E128 C131	A3-A30 VanDerWaalsContact O-CA 3.27Å; A3-A30 WeakPolarHBondContact O-CA 3.2Å; A3-A30 VanDerWaalsContact O-CB 3.31Å; A3-A30 WeakPolarHBondContact O-CB 3.31Å; A3-A31 PolarHBondContact N-O 2.76Å; A3-A31 PolarHBondContact O-N 3.23Å; A3-E128 HydrophobicContact CB-CB 4.34Å; A3-C131 HydrophobicContact CB-CB 4.37Å
4	A	98.6	Very high	98.1	Very high	45 Å²	45	61.3 Å²	61.3	37%	0.372	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.4	173	0	0	0	0	0	109.7	E29 A30 F107	A4-E29 CarbonylContact C-O 3.54Å; A4-E29 VanDerWaalsContact CA-O 3.24Å; A4-E29 WeakPolarHBondContact CA-O 3.48Å; A4-A30 HydrophobicContact CB-CB 3.97Å; A4-F107 HydrophobicContact CB-CD1 4.17Å; A4-F107 HydrophobicContact CB-CE1 4.22Å
5	G	98.5	Very high	98.1	Very high	12 Å²	12	60.8 Å²	60.8	12%	0.124	34%	0.337	C	S	.	.			trans	-81.9	156	171.9	0	0	0	0	0	111.3	E29	G5-E29 PolarHBondContact N-O 2.84Å
6	I	98.7	Very high	98.1	Very high	152 Å²	152	60.1 Å²	60.1	78%	0.779	35%	0.347	S	S	*	.			trans	-100.7	109.1	172.1	-61.7	173.6	0	0	0	107.5	F107	I6-F107 HydrophobicContact CG1-CZ 4.41Å
7	C	98.6	Very high	98	Very high	14 Å²	14	63.8 Å²	63.8	10%	0.095	37%	0.366	C	S	.	.			trans	-99.9	151.1	179	174.3	0	0	0	0	110.3	S9 D10 H28	C7-S9 PolarHBondContact O-N 3.45Å; C7-D10 WeakPolarHBondContact CB-OD2 3.46Å; C7-D10 PolarHBondContact N-OD2 2.85Å; C7-D10 VanDerWaalsContact N-OD2 3.14Å; C7-D10 WeakPolarHBondContact O-CB 3.33Å; C7-D10 PolarHBondContact O-N 2.93Å; C7-H28 VanDerWaalsContact CB-CE1 3.46Å; C7-H28 WeakPolarHBondContact CB-CE1 3.31Å
8	R	98.4	Very high	98	Very high	160 Å²	160	63.6 Å²	63.6	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-57.2	-32.1	177.3	178	60.1	66.7	-172.9	0.4	112	D10 E11 H12	R8-D10 PolarHBondContact O-N 2.82Å; R8-E11 WeakPolarHBondContact CD-OE2 3.41Å; R8-E11 IonicContact CZ-OE2 2.79Å; R8-E11 IonicContact NE-OE2 3.68Å; R8-E11 VanDerWaalsContact NH1-CD 3.32Å; R8-E11 IonicContact NH1-OE1 3.06Å; R8-E11 IonicContact NH1-OE2 3.96Å; R8-E11 PolarHBondContact NH1-OE2 3.28Å; R8-E11 PolarHBondContact O-N 3.22Å; R8-E11 VanDerWaalsContact O-N 3.12Å; R8-H12 WeakPolarHBondContact CG-NE2 3.37Å; R8-H12 PolarHBondContact O-N 3.36Å
9	S	98.3	Very high	98	Very high	44 Å²	44	66.8 Å²	66.8	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-28.4	177.7	-51.6	0	0	0	0	113.4	C7	C7-S9 PolarHBondContact O-N 3.45Å
10	D	98.6	Very high	98	Very high	4 Å²	4	64 Å²	64	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-70.5	-42.1	173.1	-54.9	-67.8	0	0	0	110.3	C7 R8 H12 V13 G27 H28 F101 F107	C7-D10 WeakPolarHBondContact CB-OD2 3.46Å; C7-D10 PolarHBondContact N-OD2 2.85Å; C7-D10 VanDerWaalsContact N-OD2 3.14Å; C7-D10 WeakPolarHBondContact O-CB 3.33Å; C7-D10 PolarHBondContact O-N 2.93Å; R8-D10 PolarHBondContact O-N 2.82Å; D10-H12 VanDerWaalsContact C-N 3.3Å; D10-H12 PolarHBondContact O-N 3.37Å; D10-V13 WeakPolarHBondContact O-CB 3.34Å; D10-V13 PolarHBondContact O-N 3.05Å; D10-V13 VanDerWaalsContact O-N 3.15Å; D10-G27 VanDerWaalsContact OD1-CA 3.23Å; D10-G27 WeakPolarHBondContact OD1-CA 3.45Å; D10-G27 PolarHBondContact OD1-N 2.95Å; D10-H28 IonicContact OD1-CE1 3.31Å; D10-H28 PolarHBondContact OD1-CE1 3.43Å; D10-H28 IonicContact OD1-ND1 3.73Å; D10-H28 PolarHBondContact OD1-ND1 2.79Å; D10-H28 IonicContact OD2-CE1 2.82Å; D10-H28 PolarHBondContact OD2-CE1 3.4Å; D10-H28 VanDerWaalsContact OD2-CE1 3.28Å; D10-H28 IonicContact OD2-ND1 3.78Å; D10-H28 PolarHBondContact OD2-ND1 3.11Å; D10-F101 WeakPolarHBondContact OD1-CE1 3.48Å; D10-F107 HydrophobicContact CB-CE2 4.16Å; D10-F107 HydrophobicContact CB-CZ 4.28Å
11	E	98.4	Very high	98	Very high	72 Å²	72	62.9 Å²	62.9	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-31.9	175.4	-173.8	-87.3	157.5	0	0	112.4	R8 V13 V14 S15	R8-E11 WeakPolarHBondContact CD-OE2 3.41Å; R8-E11 IonicContact CZ-OE2 2.79Å; R8-E11 IonicContact NE-OE2 3.68Å; R8-E11 VanDerWaalsContact NH1-CD 3.32Å; R8-E11 IonicContact NH1-OE1 3.06Å; R8-E11 IonicContact NH1-OE2 3.96Å; R8-E11 PolarHBondContact NH1-OE2 3.28Å; R8-E11 PolarHBondContact O-N 3.22Å; R8-E11 VanDerWaalsContact O-N 3.12Å; E11-V13 PolarHBondContact O-N 3.25Å; E11-V14 WeakPolarHBondContact O-CA 3.5Å; E11-V14 WeakPolarHBondContact O-CB 3.48Å; E11-V14 PolarHBondContact O-N 2.91Å; E11-S15 PolarHBondContact O-N 3.05Å
12	H	98.5	Very high	98.2	Very high	61 Å²	61	65.5 Å²	65.5	28%	0.282	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-27.8	172.9	-72.8	-31.9	0	0	0	113.5	R8 D10 S15 G16 N17 L18	R8-H12 WeakPolarHBondContact CG-NE2 3.37Å; R8-H12 PolarHBondContact O-N 3.36Å; D10-H12 VanDerWaalsContact C-N 3.3Å; D10-H12 PolarHBondContact O-N 3.37Å; H12-S15 PolarHBondContact O-OG 3Å; H12-G16 CarbonylContact O-C 3.49Å; H12-G16 PolarHBondContact O-N 3.4Å; H12-G16 VanDerWaalsContact O-N 3.15Å; H12-N17 HydrophobicContact CB-CB 3.96Å; H12-N17 PolarHBondContact O-N 3.2Å; H12-L18 HydrophobicContact CB-CB 3.77Å; H12-L18 PolarHBondContact O-N 3.02Å
13	V	98.4	Very high	98.3	Very high	14 Å²	14	64.9 Å²	64.9	9%	0.085	38%	0.375	C	S	.	.	H	α-helix	trans	-69.1	-43.5	171.3	-178.6	0	0	0	0	110.7	D10 E11 S15 G16 L18 T20 L22 V24 L26 F101	D10-V13 WeakPolarHBondContact O-CB 3.34Å; D10-V13 PolarHBondContact O-N 3.05Å; D10-V13 VanDerWaalsContact O-N 3.15Å; E11-V13 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.62Å; V13-G16 PolarHBondContact O-N 2.95Å; V13-L18 WeakPolarHBondContact CA-O 3.32Å; V13-L18 HydrophobicContact CG2-CB 4.25Å; V13-L18 HydrophobicContact CG2-CD2 3.66Å; V13-L18 HydrophobicContact CG2-CG 4.48Å; V13-T20 HydrophobicContact CB-CG2 4.48Å; V13-T20 HydrophobicContact CG1-CG2 3.6Å; V13-T20 HydrophobicContact CG2-CG2 3.99Å; V13-L22 HydrophobicContact CG1-CD2 4.19Å; V13-V24 HydrophobicContact CG1-CG1 4.45Å; V13-L26 HydrophobicContact CB-CD1 4.26Å; V13-L26 HydrophobicContact CB-CD2 3.8Å; V13-L26 HydrophobicContact CG1-CD2 3.8Å; V13-L26 HydrophobicContact CG2-CD2 3.81Å; V13-F101 HydrophobicContact CG2-CD2 4.45Å; V13-F101 HydrophobicContact CG2-CE2 3.69Å; V13-F101 HydrophobicContact CG2-CZ 3.89Å
14	V	98.4	Very high	98.3	Very high	114 Å²	114	65.4 Å²	65.4	69%	0.691	38%	0.376	S	S	*	.	H	α-helix	trans	-63.4	-40.7	178.6	-177.7	0	0	0	0	111.2	E11 G16 L26	E11-V14 WeakPolarHBondContact O-CA 3.5Å; E11-V14 WeakPolarHBondContact O-CB 3.48Å; E11-V14 PolarHBondContact O-N 2.91Å; V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 2.74Å; V14-L26 HydrophobicContact CG2-CD1 4.04Å
15	S	98.2	Very high	98.3	Very high	54 Å²	54	65 Å²	65	38%	0.378	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.4	-179.3	83.8	0	0	0	0	113.9	E11 H12 V13 N17	E11-S15 PolarHBondContact O-N 3.05Å; H12-S15 PolarHBondContact O-OG 3Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.62Å; S15-N17 VanDerWaalsContact C-N 3.31Å; S15-N17 PolarHBondContact O-N 2.89Å; S15-N17 WeakPolarHBondContact OG-CB 3.46Å; S15-N17 VanDerWaalsContact OG-CG 3.3Å; S15-N17 PolarHBondContact OG-N 2.9Å; S15-N17 PolarHBondContact OG-ND2 2.88Å; S15-N17 VanDerWaalsContact OG-ND2 3.11Å
16	G	97.4	Very high	98.3	Very high	49 Å²	49	65.6 Å²	65.6	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	7	-174.9	0	0	0	0	0	115.4	H12 V13 V14 L18	H12-G16 CarbonylContact O-C 3.49Å; H12-G16 PolarHBondContact O-N 3.4Å; H12-G16 VanDerWaalsContact O-N 3.15Å; V13-G16 PolarHBondContact O-N 2.95Å; V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 2.74Å; G16-L18 VanDerWaalsContact C-N 3.31Å
17	N	97.5	Very high	98.3	Very high	124 Å²	124	58.4 Å²	58.4	66%	0.663	33%	0.331	S	S	*	.	S	Bend	trans	-74.8	-21.5	175.3	-73.9	-21.7	0	0	0	112.8	H12 S15	H12-N17 HydrophobicContact CB-CB 3.96Å; H12-N17 PolarHBondContact O-N 3.2Å; S15-N17 VanDerWaalsContact C-N 3.31Å; S15-N17 PolarHBondContact O-N 2.89Å; S15-N17 WeakPolarHBondContact OG-CB 3.46Å; S15-N17 VanDerWaalsContact OG-CG 3.3Å; S15-N17 PolarHBondContact OG-N 2.9Å; S15-N17 PolarHBondContact OG-ND2 2.88Å; S15-N17 VanDerWaalsContact OG-ND2 3.11Å
18	L	97.7	Very high	98.3	Very high	59 Å²	59	58 Å²	58	31%	0.309	33%	0.328	S	S	.	.	S	Bend	trans	-123.8	112.7	171.8	-169.3	151.8	0	0	0	108.7	H12 V13 G16 F101	H12-L18 HydrophobicContact CB-CB 3.77Å; H12-L18 PolarHBondContact O-N 3.02Å; V13-L18 WeakPolarHBondContact CA-O 3.32Å; V13-L18 HydrophobicContact CG2-CB 4.25Å; V13-L18 HydrophobicContact CG2-CD2 3.66Å; V13-L18 HydrophobicContact CG2-CG 4.48Å; G16-L18 VanDerWaalsContact C-N 3.31Å; L18-F101 HydrophobicContact CD2-CE2 3.91Å; L18-F101 HydrophobicContact CD2-CZ 4.4Å
19	V	97.7	Very high	98.3	Very high	125 Å²	125	51 Å²	51	76%	0.758	30%	0.302	S	S	*	.			trans	-86.4	123.9	-179	-178.2	0	0	0	0	109.8
20	T	97.9	Very high	98.4	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.067	29%	0.287	C	S	.	.			trans	-142.4	154.5	171	-175.2	0	0	0	0	108.5	V13 L22 F101	V13-T20 HydrophobicContact CB-CG2 4.48Å; V13-T20 HydrophobicContact CG1-CG2 3.6Å; V13-T20 HydrophobicContact CG2-CG2 3.99Å; T20-L22 PolarHBondContact O-N 2.78Å; T20-F101 HydrophobicContact CG2-CD2 4.13Å; T20-F101 HydrophobicContact CG2-CE2 4.28Å
21	P	98.3	Very high	98.4	Very high	40 Å²	40	48.7 Å²	48.7	26%	0.26	29%	0.286	S	S	.	.			trans	-57.3	136.4	177.3	-30.1	39.7	0	0	0	113.3	H99	P21-H99 WeakPolarHBondContact CB-CE1 3.46Å
22	L	98.5	Very high	98.4	Very high	116 Å²	116	45.4 Å²	45.4	61%	0.607	27%	0.271	S	S	*	.	S	Bend	trans	-115.6	152.9	178.8	-59.4	-179.5	0	0	0	110.5	V13 T20 V24	V13-L22 HydrophobicContact CG1-CD2 4.19Å; T20-L22 PolarHBondContact O-N 2.78Å; L22-V24 HydrophobicContact CD2-CB 4.12Å; L22-V24 HydrophobicContact CD2-CG1 3.45Å; L22-V24 VanDerWaalsContact CD2-CG1 3.45Å
23	P	98.5	Very high	98.4	Very high	74 Å²	74	46.9 Å²	46.9	48%	0.481	28%	0.28	S	S	.	.	S	Bend	cis	-73.6	151.3	-2.1	32.4	-37.1	0	0	0	112.2	I98 H99	P23-I98 HydrophobicContact CB-CD1 4.01Å; P23-I98 HydrophobicContact CG-CD1 3.56Å; P23-H99 WeakPolarHBondContact O-CB 3.21Å; P23-H99 PolarHBondContact O-CD2 3.22Å; P23-H99 PolarHBondContact O-N 3.36Å
24	V	98.8	Very high	98.4	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.176	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-140.2	149.1	-170.1	70.4	0	0	0	0	112.2	V13 L22 L26 H99 F101	V13-V24 HydrophobicContact CG1-CG1 4.45Å; L22-V24 HydrophobicContact CD2-CB 4.12Å; L22-V24 HydrophobicContact CD2-CG1 3.45Å; L22-V24 VanDerWaalsContact CD2-CG1 3.45Å; V24-L26 HydrophobicContact CG1-CD2 3.6Å; V24-L26 HydrophobicContact CG1-CG 4.05Å; V24-L26 HydrophobicContact CG2-CD2 4.47Å; V24-H99 HydrophobicContact CB-CB 4.23Å; V24-H99 HydrophobicContact CG2-CB 4.09Å; V24-F101 HydrophobicContact CG2-CB 3.86Å
25	I	98.8	Very high	98.5	Very high	36 Å²	36	47.4 Å²	47.4	19%	0.185	28%	0.275	C	S	.	.			trans	-94.6	114.2	163.2	-64.7	175.9	0	0	0	108	F91 I98 H99 F101 S105 F107	I25-F91 HydrophobicContact CD1-CB 4.04Å; I25-F91 HydrophobicContact CD1-CD1 3.67Å; I25-F91 HydrophobicContact CD1-CD2 3.83Å; I25-F91 HydrophobicContact CD1-CE1 3.96Å; I25-F91 HydrophobicContact CD1-CE2 4.1Å; I25-F91 HydrophobicContact CD1-CG 3.58Å; I25-F91 HydrophobicContact CD1-CZ 4.15Å; I25-I98 HydrophobicContact CD1-CG2 4.47Å; I25-I98 HydrophobicContact CG1-CG2 3.88Å; I25-H99 PolarHBondContact N-O 3.3Å; I25-F101 WeakPolarHBondContact O-CB 3.33Å; I25-S105 WeakPolarHBondContact O-CB 3.31Å; I25-F107 HydrophobicContact CG2-CB 4.43Å
26	L	98.7	Very high	98.5	Very high	26 Å²	26	48.5 Å²	48.5	14%	0.136	28%	0.283	C	S	.	.			trans	-79	-170.4	-179.8	-62.3	178.8	0	0	0	112.5	V13 V14 V24 F101 S105 T106 F107	V13-L26 HydrophobicContact CB-CD1 4.26Å; V13-L26 HydrophobicContact CB-CD2 3.8Å; V13-L26 HydrophobicContact CG1-CD2 3.8Å; V13-L26 HydrophobicContact CG2-CD2 3.81Å; V14-L26 HydrophobicContact CG2-CD1 4.04Å; V24-L26 HydrophobicContact CG1-CD2 3.6Å; V24-L26 HydrophobicContact CG1-CG 4.05Å; V24-L26 HydrophobicContact CG2-CD2 4.47Å; L26-F101 HydrophobicContact CD2-CB 4.41Å; L26-F101 HydrophobicContact CD2-CD1 4.17Å; L26-F101 HydrophobicContact CD2-CD2 4.14Å; L26-F101 HydrophobicContact CD2-CE1 4.48Å; L26-F101 HydrophobicContact CD2-CE2 4.47Å; L26-F101 HydrophobicContact CD2-CG 3.99Å; L26-S105 CarbonylContact O-C 3.47Å; L26-T106 PolarHBondContact O-N 2.98Å; L26-T106 VanDerWaalsContact O-N 3.11Å; L26-F107 HydrophobicContact CB-CD2 3.68Å; L26-F107 HydrophobicContact CB-CE2 3.91Å; L26-F107 WeakPolarHBondContact O-CB 3.39Å; L26-F107 WeakPolarHBondContact O-CG 3.38Å; L26-F107 PolarHBondContact O-N 3.43Å
27	G	98.7	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.			trans	92.9	128.6	179.4	0	0	0	0	0	111.3	D10 S105 T106 F107	D10-G27 VanDerWaalsContact OD1-CA 3.23Å; D10-G27 WeakPolarHBondContact OD1-CA 3.45Å; D10-G27 PolarHBondContact OD1-N 2.95Å; G27-S105 PolarHBondContact O-N 3.28Å; G27-T106 VanDerWaalsContact CA-OG1 3.24Å; G27-T106 WeakPolarHBondContact CA-OG1 3.2Å; G27-T106 PolarHBondContact O-N 3.04Å; G27-T106 PolarHBondContact O-OG1 3.18Å; G27-F107 VanDerWaalsContact CA-CE1 3.48Å
28	H	98.9	Very high	98.6	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.032	27%	0.27	C	S	.	.			trans	-142.3	-3	178.6	64.9	-75.2	0	0	0	114.2	C7 D10 F54 F101 V102 V104 T106 C135	C7-H28 VanDerWaalsContact CB-CE1 3.46Å; C7-H28 WeakPolarHBondContact CB-CE1 3.31Å; D10-H28 IonicContact OD1-CE1 3.31Å; D10-H28 PolarHBondContact OD1-CE1 3.43Å; D10-H28 IonicContact OD1-ND1 3.73Å; D10-H28 PolarHBondContact OD1-ND1 2.79Å; D10-H28 IonicContact OD2-CE1 2.82Å; D10-H28 PolarHBondContact OD2-CE1 3.4Å; D10-H28 VanDerWaalsContact OD2-CE1 3.28Å; D10-H28 IonicContact OD2-ND1 3.78Å; D10-H28 PolarHBondContact OD2-ND1 3.11Å; H28-F54 HydrophobicContact CB-CB 4.09Å; H28-F101 HydrophobicContact CB-CD1 4.39Å; H28-F101 HydrophobicContact CB-CE1 4.25Å; H28-F101 AromaticContact ND1-CE1 3.73Å; H28-V102 HydrophobicContact CB-CG2 3.74Å; H28-V104 HydrophobicContact CB-CG2 3.73Å; H28-T106 PolarHBondContact N-OG1 3.15Å; H28-C135 PolarHBondContact NE2-SG 3.15Å; H28-C135 VanDerWaalsContact NE2-SG 3.37Å
29	E	98.8	Very high	98.7	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	30%	0.302	C	S	.	.	S	Bend	trans	-112.9	96.1	177.9	-174.5	176.4	92.8	0	0	108.4	A4 G5 C131 L132 C135 G136	A4-E29 CarbonylContact C-O 3.54Å; A4-E29 VanDerWaalsContact CA-O 3.24Å; A4-E29 WeakPolarHBondContact CA-O 3.48Å; G5-E29 PolarHBondContact N-O 2.84Å; E29-C131 VanDerWaalsContact CG-O 3.28Å; E29-C131 WeakPolarHBondContact CG-O 3.28Å; E29-L132 WeakPolarHBondContact OE1-CD2 3.27Å; E29-C135 HydrophobicContact CB-CB 3.93Å; E29-C135 HydrophobicContact CG-CB 4Å; E29-C135 WeakPolarHBondContact OE2-CB 3.37Å; E29-G136 WeakPolarHBondContact OE2-CA 3.45Å; E29-G136 PolarHBondContact OE2-N 3.4Å
30	A	98.9	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	167.1	-174.3	0	0	0	0	0	113.6	M1 A3 A4 P52 T106	M1-A30 HydrophobicContact SD-CB 4.04Å; A3-A30 VanDerWaalsContact O-CA 3.27Å; A3-A30 WeakPolarHBondContact O-CA 3.2Å; A3-A30 VanDerWaalsContact O-CB 3.31Å; A3-A30 WeakPolarHBondContact O-CB 3.31Å; A4-A30 HydrophobicContact CB-CB 3.97Å; A30-P52 WeakPolarHBondContact O-CD 3.44Å; A30-T106 VanDerWaalsContact CB-CB 3.43Å; A30-T106 HydrophobicContact CB-CG2 3.58Å
31	A	98.9	Very high	98.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.4	166.8	0	0	0	0	0	110.6	V2 A3 V50 I51 L127 V130 C131	V2-A31 PolarHBondContact N-O 2.93Å; A3-A31 PolarHBondContact N-O 2.76Å; A3-A31 PolarHBondContact O-N 3.23Å; A31-V50 WeakPolarHBondContact CA-O 3.38Å; A31-I51 HydrophobicContact CB-CG1 4Å; A31-L127 HydrophobicContact CB-CB 4.15Å; A31-L127 HydrophobicContact CB-CD2 3.71Å; A31-L127 HydrophobicContact CB-CG 4.47Å; A31-V130 HydrophobicContact CB-CG2 4.4Å; A31-C131 HydrophobicContact CB-CB 4.04Å
32	G	98.8	Very high	98.7	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-171.2	-173.2	0	0	0	0	0	113.3	K49 V50	G32-K49 WeakPolarHBondContact O-CA 3.46Å; G32-V50 PolarHBondContact N-O 2.67Å; G32-V50 PolarHBondContact O-N 2.95Å
33	I	98.9	Very high	98.7	Very high	93 Å²	93	53.5 Å²	53.5	48%	0.477	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.4	177.4	-60.9	169.6	0	0	0	106.7	V2 E35 D48 K49 L127	V2-I33 HydrophobicContact CG2-CD1 4.2Å; V2-I33 HydrophobicContact CG2-CG1 4.25Å; I33-E35 PolarHBondContact O-N 2.9Å; I33-D48 WeakPolarHBondContact CA-O 3.22Å; I33-K49 HydrophobicContact CG1-CG 4.29Å; I33-L127 HydrophobicContact CD1-CD1 4.4Å; I33-L127 HydrophobicContact CG1-CD1 3.99Å
34	V	98.9	Very high	98.7	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.109	31%	0.306	C	S	.	.			trans	-66.1	124.4	176.7	-179.7	0	0	0	0	109.2	S36 V37 V44 K45 P46 G47 D48 V50	V34-S36 WeakPolarHBondContact CG1-O 3.43Å; V34-V37 HydrophobicContact CG1-CG1 3.72Å; V34-V44 HydrophobicContact CG2-CB 4.22Å; V34-V44 HydrophobicContact CG2-CG2 4.44Å; V34-K45 WeakPolarHBondContact CB-O 3.31Å; V34-P46 WeakPolarHBondContact O-CA 3.44Å; V34-G47 PolarHBondContact O-N 2.97Å; V34-D48 HydrophobicContact CG2-CB 4.34Å; V34-D48 PolarHBondContact N-O 3.38Å; V34-V50 HydrophobicContact CG2-CB 4.38Å; V34-V50 HydrophobicContact CG2-CG1 3.49Å; V34-V50 VanDerWaalsContact CG2-CG1 3.49Å; V34-V50 HydrophobicContact CG2-CG2 3.93Å
35	E	98.9	Very high	98.7	Very high	120 Å²	120	54.7 Å²	54.7	56%	0.561	32%	0.321	S	S	*	.			trans	-87.7	-53.6	174.6	-178.3	-80.5	150.2	0	0	110.5	I33 P46 Y110	I33-E35 PolarHBondContact O-N 2.9Å; E35-P46 WeakPolarHBondContact O-CB 3.14Å; E35-Y110 HydrophobicContact CB-CD1 4.42Å; E35-Y110 HydrophobicContact CB-CE1 4.01Å; E35-Y110 HydrophobicContact CG-CE1 3.9Å
36	S	98.9	Very high	98.7	Very high	77 Å²	77	56.5 Å²	56.5	54%	0.538	34%	0.335	S	S	.	.			trans	-143.2	166.8	177.2	57.9	0	0	0	0	111.2	V34	V34-S36 WeakPolarHBondContact CG1-O 3.43Å
37	V	98.9	Very high	98.8	Very high	61 Å²	61	57.9 Å²	57.9	37%	0.37	36%	0.355	S	S	.	.			trans	-130.4	146.8	175.6	-61.6	0	0	0	0	110.3	V34 V41 V44	V34-V37 HydrophobicContact CG1-CG1 3.72Å; V37-V41 HydrophobicContact CB-CB 3.93Å; V37-V41 HydrophobicContact CB-CG1 3.9Å; V37-V41 HydrophobicContact CB-CG2 4.24Å; V37-V41 HydrophobicContact CG1-CG1 3.93Å; V37-V41 HydrophobicContact CG2-CB 4.39Å; V37-V44 HydrophobicContact CG1-CG2 4.1Å
38	G	98.6	Very high	98.8	Very high	52 Å²	52	58.8 Å²	58.8	54%	0.536	36%	0.36	S	S	.	.			trans	-75.7	171	173.8	0	0	0	0	0	112.8	V41	G38-V41 WeakPolarHBondContact O-CG2 3.24Å; G38-V41 PolarHBondContact O-N 3.48Å
39	E	98.5	Very high	98.8	Very high	207 Å²	207	60.8 Å²	60.8	97%	0.967	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	137.1	174.8	-172.6	178.6	178.3	0	0	111.5	V41	E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 2.9Å
40	G	98.1	Very high	98.8	Very high	65 Å²	65	60.7 Å²	60.7	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-3.1	176.8	0	0	0	0	0	115.8
41	V	98.7	Very high	98.8	Very high	42 Å²	42	61.1 Å²	61.1	26%	0.255	37%	0.371	S	S	.	.			trans	-67.1	132.6	171.9	174.5	0	0	0	0	109.9	V37 G38 E39 V44 E115	V37-V41 HydrophobicContact CB-CB 3.93Å; V37-V41 HydrophobicContact CB-CG1 3.9Å; V37-V41 HydrophobicContact CB-CG2 4.24Å; V37-V41 HydrophobicContact CG1-CG1 3.93Å; V37-V41 HydrophobicContact CG2-CB 4.39Å; G38-V41 WeakPolarHBondContact O-CG2 3.24Å; G38-V41 PolarHBondContact O-N 3.48Å; E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 2.9Å; V41-V44 HydrophobicContact CG1-CG2 3.78Å; V41-E115 HydrophobicContact CG1-CG 4.25Å; V41-E115 HydrophobicContact CG2-CB 4.5Å
42	T	98.5	Very high	98.8	Very high	123 Å²	123	61.3 Å²	61.3	76%	0.755	37%	0.372	S	S	*	.			trans	-131.2	-15.3	-175.7	55.5	0	0	0	0	114.1	E115	T42-E115 PolarHBondContact N-OE1 3.45Å
43	T	98.7	Very high	98.8	Very high	80 Å²	80	63.4 Å²	63.4	49%	0.491	38%	0.383	S	S	.	.	S	Bend	trans	-92.5	-17.2	-172.4	57.1	0	0	0	0	114.4	E115	T43-E115 WeakPolarHBondContact CB-OE1 3.46Å; T43-E115 HydrophobicContact CG2-CG 4.5Å; T43-E115 WeakPolarHBondContact CG2-OE1 3.35Å; T43-E115 PolarHBondContact N-OE1 3.14Å; T43-E115 WeakPolarHBondContact OG1-CG 3.27Å; T43-E115 PolarHBondContact OG1-OE1 3.39Å
44	V	98.8	Very high	98.7	Very high	16 Å²	16	60.8 Å²	60.8	10%	0.097	37%	0.368	C	S	.	.			trans	-142.4	161	179.6	-66.1	0	0	0	0	110.5	V34 V37 V41 V50 V118 K120	V34-V44 HydrophobicContact CG2-CB 4.22Å; V34-V44 HydrophobicContact CG2-CG2 4.44Å; V37-V44 HydrophobicContact CG1-CG2 4.1Å; V41-V44 HydrophobicContact CG1-CG2 3.78Å; V44-V50 HydrophobicContact CG1-CG1 3.96Å; V44-V118 HydrophobicContact CG1-CG1 4.38Å; V44-V118 HydrophobicContact CG2-CG1 4.35Å; V44-K120 HydrophobicContact CG1-CB 4.14Å
45	K	98.8	Very high	98.7	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.487	37%	0.372	S	S	.	.			trans	-143.4	163.3	174.5	68.1	178.4	-171.7	-57.6	0	111.3	V34 G47 D48	V34-K45 WeakPolarHBondContact CB-O 3.31Å; K45-G47 PolarHBondContact O-N 3.21Å; K45-D48 PolarHBondContact N-OD2 3.43Å; K45-D48 IonicContact NZ-OD1 3.49Å; K45-D48 PolarHBondContact NZ-OD1 2.98Å; K45-D48 IonicContact NZ-OD2 3.28Å; K45-D48 WeakPolarHBondContact O-CB 3.26Å; K45-D48 PolarHBondContact O-N 3.24Å; K45-D48 VanDerWaalsContact O-N 3.11Å
46	P	98.9	Very high	98.7	Very high	74 Å²	74	56.1 Å²	56.1	48%	0.481	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	137	174.1	-30.3	37.6	0	0	0	113.2	V34 E35 D48	V34-P46 WeakPolarHBondContact O-CA 3.44Å; E35-P46 WeakPolarHBondContact O-CB 3.14Å; P46-D48 VanDerWaalsContact C-N 3.3Å; P46-D48 PolarHBondContact O-N 3.27Å
47	G	98.8	Very high	98.7	Very high	54 Å²	54	59.1 Å²	59.1	56%	0.557	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-13.3	-177.7	0	0	0	0	0	115.5	V34 K45	V34-G47 PolarHBondContact O-N 2.97Å; K45-G47 PolarHBondContact O-N 3.21Å
48	D	98.9	Very high	98.7	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.102	34%	0.344	C	S	.	.			trans	-66.6	138	174.5	-77.4	-13	0	0	0	110.6	I33 V34 K45 P46 K120	I33-D48 WeakPolarHBondContact CA-O 3.22Å; V34-D48 HydrophobicContact CG2-CB 4.34Å; V34-D48 PolarHBondContact N-O 3.38Å; K45-D48 PolarHBondContact N-OD2 3.43Å; K45-D48 IonicContact NZ-OD1 3.49Å; K45-D48 PolarHBondContact NZ-OD1 2.98Å; K45-D48 IonicContact NZ-OD2 3.28Å; K45-D48 WeakPolarHBondContact O-CB 3.26Å; K45-D48 PolarHBondContact O-N 3.24Å; K45-D48 VanDerWaalsContact O-N 3.11Å; P46-D48 VanDerWaalsContact C-N 3.3Å; P46-D48 PolarHBondContact O-N 3.27Å; D48-K120 HydrophobicContact CB-CG 4.42Å; D48-K120 IonicContact OD1-NZ 3.3Å; D48-K120 PolarHBondContact OD1-NZ 3.16Å; D48-K120 WeakPolarHBondContact OD2-CD 3.26Å; D48-K120 VanDerWaalsContact OD2-CE 3.31Å; D48-K120 WeakPolarHBondContact OD2-CE 3.38Å; D48-K120 IonicContact OD2-NZ 3.75Å; D48-K120 PolarHBondContact OD2-NZ 2.72Å
49	K	98.9	Very high	98.6	Very high	49 Å²	49	57.1 Å²	57.1	21%	0.213	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.1	167.8	-75.3	-175.7	176.6	170.8	0	109.8	G32 I33 I121 A123 S125 L127	G32-K49 WeakPolarHBondContact O-CA 3.46Å; I33-K49 HydrophobicContact CG1-CG 4.29Å; K49-I121 HydrophobicContact CB-CD1 4.12Å; K49-I121 HydrophobicContact CB-CG1 3.73Å; K49-I121 WeakPolarHBondContact O-CG1 3.35Å; K49-I121 PolarHBondContact O-N 3.31Å; K49-A123 VanDerWaalsContact CD-O 3.31Å; K49-A123 WeakPolarHBondContact CD-O 3.46Å; K49-A123 WeakPolarHBondContact CE-O 3.43Å; K49-A123 PolarHBondContact NZ-O 3.48Å; K49-S125 PolarHBondContact NZ-O 2.95Å; K49-L127 HydrophobicContact CB-CD2 4.14Å; K49-L127 HydrophobicContact CD-CD1 4.24Å; K49-L127 HydrophobicContact CD-CD2 3.82Å; K49-L127 HydrophobicContact CD-CG 4.02Å; K49-L127 HydrophobicContact CG-CD1 4.2Å; K49-L127 HydrophobicContact CG-CD2 4.06Å; K49-L127 HydrophobicContact CG-CG 4.43Å
50	V	98.9	Very high	98.6	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.4	-173.6	-69	0	0	0	0	113.4	A31 G32 V34 V44 V118 A119	A31-V50 WeakPolarHBondContact CA-O 3.38Å; G32-V50 PolarHBondContact N-O 2.67Å; G32-V50 PolarHBondContact O-N 2.95Å; V34-V50 HydrophobicContact CG2-CB 4.38Å; V34-V50 HydrophobicContact CG2-CG1 3.49Å; V34-V50 VanDerWaalsContact CG2-CG1 3.49Å; V34-V50 HydrophobicContact CG2-CG2 3.93Å; V44-V50 HydrophobicContact CG1-CG1 3.96Å; V50-V118 HydrophobicContact CB-CG2 3.56Å; V50-V118 HydrophobicContact CG1-CG2 3.75Å; V50-V118 HydrophobicContact CG2-CG2 4.03Å; V50-A119 CarbonylContact C-O 3.6Å; V50-A119 WeakPolarHBondContact CA-O 3.4Å; V50-A119 WeakPolarHBondContact CB-O 3.4Å
51	I	98.9	Very high	98.6	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.046	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.7	166.4	-69	178.2	0	0	0	108.2	A31 A119 I121 V130 I133	A31-I51 HydrophobicContact CB-CG1 4Å; I51-A119 PolarHBondContact N-O 2.95Å; I51-A119 PolarHBondContact O-N 3.42Å; I51-I121 HydrophobicContact CB-CG2 4.44Å; I51-I121 HydrophobicContact CD1-CD1 4.27Å; I51-I121 HydrophobicContact CD1-CG2 4.01Å; I51-I121 HydrophobicContact CG1-CD1 4.04Å; I51-I121 HydrophobicContact CG1-CG2 4.04Å; I51-V130 HydrophobicContact CD1-CG2 4.47Å; I51-V130 WeakPolarHBondContact CD1-O 3.29Å; I51-I133 HydrophobicContact CD1-CB 4.14Å; I51-I133 HydrophobicContact CD1-CG2 4.44Å
52	P	98.9	Very high	98.6	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.019	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.1	168.9	-20.3	33.7	0	0	0	111.7	M1 A30 V104 T106 A117	M1-P52 HydrophobicContact CE-CG 3.71Å; M1-P52 HydrophobicContact SD-CG 4.37Å; A30-P52 WeakPolarHBondContact O-CD 3.44Å; P52-V104 HydrophobicContact CB-CB 3.85Å; P52-V104 HydrophobicContact CB-CG1 3.56Å; P52-T106 HydrophobicContact CB-CG2 4.41Å; P52-T106 HydrophobicContact CG-CG2 4.18Å; P52-A117 CarbonylContact C-O 3.5Å; P52-A117 WeakPolarHBondContact CA-O 3.38Å
53	L	98.8	Very high	98.6	Very high	46 Å²	46	56 Å²	56	24%	0.241	30%	0.299	C	S	.	.			trans	-112.5	104	-176.5	-51.6	176	0	0	0	110.1	T55 A117 A119	L53-T55 PolarHBondContact O-N 3.42Å; L53-A117 PolarHBondContact N-O 3.31Å; L53-A119 HydrophobicContact CD1-CB 4.17Å; L53-A119 HydrophobicContact CD2-CB 4.01Å; L53-A119 HydrophobicContact CG-CB 4.3Å
54	F	98.4	Very high	98.6	Very high	38 Å²	38	53.7 Å²	53.7	17%	0.167	29%	0.285	C	S	.	.	S	Bend	trans	-63.7	-22.9	176.2	74.2	-95.9	0	0	0	113	H28 L77 V102 V104 G134 C135	H28-F54 HydrophobicContact CB-CB 4.09Å; F54-L77 HydrophobicContact CD2-CD1 3.94Å; F54-L77 HydrophobicContact CD2-CD2 4.01Å; F54-L77 HydrophobicContact CE2-CD2 4.05Å; F54-L77 VanDerWaalsContact O-CD1 3.29Å; F54-L77 WeakPolarHBondContact O-CD1 3.3Å; F54-V102 HydrophobicContact CB-CB 4.19Å; F54-V102 HydrophobicContact CB-CG2 3.65Å; F54-V104 HydrophobicContact CB-CG2 4.42Å; F54-G134 WeakPolarHBondContact CD1-O 3.33Å; F54-G134 WeakPolarHBondContact CE1-O 3.38Å; F54-C135 HydrophobicContact CD1-CB 4.41Å; F54-C135 HydrophobicContact CE1-CB 3.97Å
55	T	98.4	Very high	98.6	Very high	30 Å²	30	60.2 Å²	60.2	18%	0.184	31%	0.313	C	S	.	.	S	Bend	trans	-107.2	105.7	166.1	-58	0	0	0	0	108.2	L53 N70	L53-T55 PolarHBondContact O-N 3.42Å; T55-N70 VanDerWaalsContact CG2-O 3.27Å; T55-N70 WeakPolarHBondContact CG2-O 3.41Å
56	P	98.4	Very high	98.5	Very high	10 Å²	10	58.6 Å²	58.6	7%	0.065	31%	0.309	C	S	.	.			trans	-70.1	164.4	-176.8	28.7	-34.9	0	0	0	111.7	C72 K74 N116 A117	P56-C72 HydrophobicContact CG-CB 4.36Å; P56-C72 WeakPolarHBondContact O-CB 3.43Å; P56-K74 HydrophobicContact CG-CB 4.1Å; P56-N116 CarbonylContact C-O 3.58Å; P56-N116 VanDerWaalsContact CA-O 3.25Å; P56-N116 WeakPolarHBondContact CA-O 3.35Å; P56-N116 WeakPolarHBondContact CB-O 3.28Å; P56-A117 HydrophobicContact CB-CB 4.29Å
57	Q	98.7	Very high	98.4	Very high	141 Å²	141	60.2 Å²	60.2	66%	0.659	32%	0.32	S	S	*	.			trans	-130.6	88.8	173.3	-172.2	174	-10.9	0	0	110.7	G59 N116	Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.16Å; Q57-N116 PolarHBondContact N-O 2.9Å
58	C	98.3	Very high	98.3	Very high	25 Å²	25	63.4 Å²	63.4	17%	0.169	32%	0.32	C	S	.	.			trans	-75.8	-11.5	-174	78.4	0	0	0	0	115.5	K60 C61 K74 N116	C58-K60 WeakPolarHBondContact O-CG 3.49Å; C58-K60 PolarHBondContact O-N 2.86Å; C58-C61 PolarHBondContact SG-N 2.73Å; C58-C61 VanDerWaalsContact SG-N 3.44Å; C58-K74 HydrophobicContact CB-CG 4.12Å; C58-N116 HydrophobicContact CB-CB 4.49Å
59	G	97.8	Very high	98.1	Very high	46 Å²	46	64.7 Å²	64.7	47%	0.474	33%	0.33	S	S	.	.	S	Bend	trans	67.7	-9.7	-178.9	0	0	0	0	0	116.2	Q57	Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.16Å
60	K	98.3	Very high	98.1	Very high	177 Å²	177	68.6 Å²	68.6	77%	0.77	35%	0.354	S	S	*	.	S	Bend	trans	-108.1	-32.9	-169.7	-64.9	172.9	-172.3	179.8	0	113.9	C58 K65	C58-K60 WeakPolarHBondContact O-CG 3.49Å; C58-K60 PolarHBondContact O-N 2.86Å; K60-K65 WeakPolarHBondContact O-CE 3.35Å
61	C	98.4	Very high	98	Very high	21 Å²	21	72.7 Å²	72.7	14%	0.142	37%	0.369	C	S	.	.	S	Bend	trans	-75.9	160.8	-175.9	79.1	0	0	0	0	112.7	C58 I63 C64 K65 L73	C58-C61 PolarHBondContact SG-N 2.73Å; C58-C61 VanDerWaalsContact SG-N 3.44Å; C61-I63 PolarHBondContact O-N 2.7Å; C61-I63 VanDerWaalsContact O-N 3.14Å; C61-C64 PolarHBondContact O-N 2.98Å; C61-C64 VanDerWaalsContact O-N 3.12Å; C61-C64 PolarHBondContact SG-N 2.65Å; C61-C64 VanDerWaalsContact SG-N 3.41Å; C61-K65 PolarHBondContact O-N 2.84Å; C61-K65 VanDerWaalsContact O-N 3.12Å; C61-L73 HydrophobicContact CB-CB 4.12Å; C61-L73 HydrophobicContact CB-CD1 4.04Å; C61-L73 HydrophobicContact CB-CG 4.1Å
62	R	98.2	Very high	98	Very high	189 Å²	189	72.2 Å²	72.2	71%	0.713	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.2	179.1	70.3	-178.6	179.4	120.1	-0.8	113.7	K65 N66 L73	R62-K65 PolarHBondContact O-N 2.8Å; R62-N66 PolarHBondContact O-N 3.11Å; R62-L73 HydrophobicContact CG-CD1 4.19Å
63	I	98.1	Very high	98	Very high	27 Å²	27	76.6 Å²	76.6	14%	0.138	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-46.3	178.9	-59.3	-59.5	0	0	0	110.6	C61 K65 N66 S69 Y71 L73	C61-I63 PolarHBondContact O-N 2.7Å; C61-I63 VanDerWaalsContact O-N 3.14Å; I63-K65 PolarHBondContact O-N 3.03Å; I63-N66 WeakPolarHBondContact O-CB 3.39Å; I63-N66 PolarHBondContact O-N 3.2Å; I63-S69 VanDerWaalsContact CG2-OG 3.3Å; I63-S69 WeakPolarHBondContact CG2-OG 3.42Å; I63-Y71 WeakPolarHBondContact CG2-O 3.42Å; I63-L73 HydrophobicContact CG1-CD2 3.74Å; I63-L73 HydrophobicContact CG1-CG 3.9Å
64	C	98.4	Very high	97.9	Very high	30 Å²	30	79.7 Å²	79.7	20%	0.203	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.4	175.9	-67.7	0	0	0	0	113.6	C61	C61-C64 PolarHBondContact O-N 2.98Å; C61-C64 VanDerWaalsContact O-N 3.12Å; C61-C64 PolarHBondContact SG-N 2.65Å; C61-C64 VanDerWaalsContact SG-N 3.41Å
65	K	98.3	Very high	97.9	Very high	154 Å²	154	79 Å²	79	67%	0.67	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.3	174.6	-65.6	-177.8	179.2	-178.1	0	113.1	K60 C61 R62 I63	K60-K65 WeakPolarHBondContact O-CE 3.35Å; C61-K65 PolarHBondContact O-N 2.84Å; C61-K65 VanDerWaalsContact O-N 3.12Å; R62-K65 PolarHBondContact O-N 2.8Å; I63-K65 PolarHBondContact O-N 3.03Å
66	N	98.1	Very high	97.9	Very high	77 Å²	77	78 Å²	78	41%	0.412	39%	0.392	S	S	.	.	S	Bend	trans	-86.5	131.9	178.4	-175.7	-67.9	0	0	0	109.8	R62 I63 E68 S69	R62-N66 PolarHBondContact O-N 3.11Å; I63-N66 WeakPolarHBondContact O-CB 3.39Å; I63-N66 PolarHBondContact O-N 3.2Å; N66-E68 VanDerWaalsContact C-N 3.28Å; N66-E68 PolarHBondContact O-N 3.34Å; N66-E68 PolarHBondContact OD1-N 2.86Å; N66-S69 PolarHBondContact OD1-N 3.23Å
67	P	96.7	Very high	97.7	Very high	108 Å²	108	80.4 Å²	80.4	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22	-176.1	26.8	-34.8	0	0	0	114.6
68	E	96	Very high	97.5	Very high	122 Å²	122	76.4 Å²	76.4	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-6	-173.3	-64.1	-61.6	105.6	0	0	113.6	N66 K149	N66-E68 VanDerWaalsContact C-N 3.28Å; N66-E68 PolarHBondContact O-N 3.34Å; N66-E68 PolarHBondContact OD1-N 2.86Å; E68-K149 IonicContact OE2-NZ 2.73Å; E68-K149 PolarHBondContact OE2-NZ 2.93Å
69	S	95.9	Very high	97.3	Very high	45 Å²	45	81.2 Å²	81.2	32%	0.315	43%	0.425	S	S	.	.			trans	-118.9	142.6	-173.9	-166.3	0	0	0	0	113.2	I63 N66	I63-S69 VanDerWaalsContact CG2-OG 3.3Å; I63-S69 WeakPolarHBondContact CG2-OG 3.42Å; N66-S69 PolarHBondContact OD1-N 3.23Å
70	N	97.5	Very high	97.2	Very high	132 Å²	132	80.7 Å²	80.7	71%	0.706	41%	0.413	S	S	*	.			trans	-121.7	-2.2	178.7	68.2	-23.8	0	0	0	113.7	T55 C72	T55-N70 VanDerWaalsContact CG2-O 3.27Å; T55-N70 WeakPolarHBondContact CG2-O 3.41Å; N70-C72 VanDerWaalsContact C-N 3.31Å; N70-C72 PolarHBondContact O-N 3.06Å
71	Y	98.1	Very high	97.2	Very high	96 Å²	96	77.8 Å²	77.8	38%	0.376	40%	0.397	S	S	.	.			trans	-84.5	69.7	-173.3	-158.7	-108.7	0	0	0	112.1	I63 N75 L77 G78	I63-Y71 WeakPolarHBondContact CG2-O 3.42Å; Y71-N75 WeakPolarHBondContact CE1-ND2 3.5Å; Y71-N75 PolarHBondContact OH-OD1 3.26Å; Y71-L77 HydrophobicContact CE2-CB 4.34Å; Y71-L77 WeakPolarHBondContact OH-CB 3.47Å; Y71-G78 PolarHBondContact OH-N 3.26Å
72	C	98.5	Very high	97.2	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.39	C	S	.	.			trans	-49.2	139.6	-172.8	-178.4	0	0	0	0	113	P56 N70 K74 N75	P56-C72 HydrophobicContact CG-CB 4.36Å; P56-C72 WeakPolarHBondContact O-CB 3.43Å; N70-C72 VanDerWaalsContact C-N 3.31Å; N70-C72 PolarHBondContact O-N 3.06Å; C72-K74 PolarHBondContact O-N 3.31Å; C72-N75 WeakPolarHBondContact O-CB 3.42Å; C72-N75 PolarHBondContact O-N 3.41Å; C72-N75 PolarHBondContact O-ND2 3.37Å
73	L	98.2	Very high	97.2	Very high	95 Å²	95	68.4 Å²	68.4	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.3	179.2	-62.3	-174.3	0	0	0	114.7	C61 R62 I63	C61-L73 HydrophobicContact CB-CB 4.12Å; C61-L73 HydrophobicContact CB-CD1 4.04Å; C61-L73 HydrophobicContact CB-CG 4.1Å; R62-L73 HydrophobicContact CG-CD1 4.19Å; I63-L73 HydrophobicContact CG1-CD2 3.74Å; I63-L73 HydrophobicContact CG1-CG 3.9Å
74	K	98	Very high	97.2	Very high	110 Å²	110	67.3 Å²	67.3	48%	0.478	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	0.7	175.4	-64.3	-62.8	-170.3	174.3	0	113.4	P56 C58 C72	P56-K74 HydrophobicContact CG-CB 4.1Å; C58-K74 HydrophobicContact CB-CG 4.12Å; C72-K74 PolarHBondContact O-N 3.31Å
75	N	97.8	Very high	97.2	Very high	24 Å²	24	69 Å²	69	13%	0.128	36%	0.36	C	S	.	.			trans	-60.2	151.5	178.4	77.3	85	0	0	0	112.1	Y71 C72 L77 G78	Y71-N75 WeakPolarHBondContact CE1-ND2 3.5Å; Y71-N75 PolarHBondContact OH-OD1 3.26Å; C72-N75 WeakPolarHBondContact O-CB 3.42Å; C72-N75 PolarHBondContact O-N 3.41Å; C72-N75 PolarHBondContact O-ND2 3.37Å; N75-L77 PolarHBondContact OD1-N 3.24Å; N75-G78 PolarHBondContact OD1-N 2.9Å
76	D	97.7	Very high	97.2	Very high	9 Å²	9	66 Å²	66	5%	0.048	35%	0.351	C	S	.	.	S	Bend	trans	-107.6	22.1	172.2	-156.4	55.4	0	0	0	111.3	P80 R81 G82	D76-P80 VanDerWaalsContact O-CA 3.28Å; D76-P80 WeakPolarHBondContact O-CA 3.14Å; D76-P80 WeakPolarHBondContact O-CB 3.23Å; D76-R81 WeakPolarHBondContact OD1-CB 3.24Å; D76-R81 PolarHBondContact OD1-N 3.2Å; D76-R81 IonicContact OD1-NE 2.77Å; D76-R81 PolarHBondContact OD1-NE 2.98Å; D76-R81 IonicContact OD1-NH2 3.88Å; D76-R81 PolarHBondContact OD2-N 3.47Å; D76-G82 PolarHBondContact OD2-N 2.95Å
77	L	95.6	Very high	97.2	Very high	60 Å²	60	64.4 Å²	64.4	31%	0.314	35%	0.352	S	S	.	.	S	Bend	trans	-93.1	-42.2	178	-87.5	80	0	0	0	111.9	F54 Y71 N75 V102	F54-L77 HydrophobicContact CD2-CD1 3.94Å; F54-L77 HydrophobicContact CD2-CD2 4.01Å; F54-L77 HydrophobicContact CE2-CD2 4.05Å; F54-L77 VanDerWaalsContact O-CD1 3.29Å; F54-L77 WeakPolarHBondContact O-CD1 3.3Å; Y71-L77 HydrophobicContact CE2-CB 4.34Å; Y71-L77 WeakPolarHBondContact OH-CB 3.47Å; N75-L77 PolarHBondContact OD1-N 3.24Å; L77-V102 HydrophobicContact CD1-CB 3.72Å; L77-V102 HydrophobicContact CD1-CG1 3.49Å; L77-V102 VanDerWaalsContact CD1-CG1 3.49Å; L77-V102 HydrophobicContact CG-CG1 3.86Å
78	G	92.9	Very high	97.3	Very high	57 Å²	57	62.2 Å²	62.2	59%	0.588	34%	0.337	S	S	*	.	S	Bend	trans	-71.8	-30.6	-174.8	0	0	0	0	0	114	Y71 N75	Y71-G78 PolarHBondContact OH-N 3.26Å; N75-G78 PolarHBondContact OD1-N 2.9Å
79	N	94.8	Very high	97.4	Very high	126 Å²	126	61 Å²	61	67%	0.674	33%	0.327	S	S	*	.	S	Bend	trans	-146.3	83.7	172.1	-175.3	21.4	0	0	0	108.8	R81	N79-R81 PolarHBondContact O-N 2.93Å
80	P	96.6	Very high	97.5	Very high	35 Å²	35	64.3 Å²	64.3	23%	0.227	33%	0.333	C	S	.	.			trans	-64.2	122.2	-170.5	-22.5	33.8	0	0	0	112.9	D76	D76-P80 VanDerWaalsContact O-CA 3.28Å; D76-P80 WeakPolarHBondContact O-CA 3.14Å; D76-P80 WeakPolarHBondContact O-CB 3.23Å
81	R	97.7	Very high	97.6	Very high	116 Å²	116	59.2 Å²	59.2	44%	0.438	30%	0.304	S	S	.	.			trans	-103.7	-21.6	175.1	-63.1	169.1	-65.3	162.3	5.9	111.9	D76 N79 H99	D76-R81 WeakPolarHBondContact OD1-CB 3.24Å; D76-R81 PolarHBondContact OD1-N 3.2Å; D76-R81 IonicContact OD1-NE 2.77Å; D76-R81 PolarHBondContact OD1-NE 2.98Å; D76-R81 IonicContact OD1-NH2 3.88Å; D76-R81 PolarHBondContact OD2-N 3.47Å; N79-R81 PolarHBondContact O-N 2.93Å; R81-H99 PolarHBondContact O-ND1 2.9Å
82	G	98.3	Very high	97.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.			trans	65.2	41.2	-178.8	0	0	0	0	0	112.8	D76 H99 H100	D76-G82 PolarHBondContact OD2-N 2.95Å; G82-H99 WeakPolarHBondContact O-CA 3.12Å; G82-H99 WeakPolarHBondContact O-CB 3.36Å; G82-H99 PolarHBondContact O-ND1 3.33Å; G82-H99 VanDerWaalsContact O-ND1 3.14Å; G82-H100 CarbonylContact C-O 3.38Å; G82-H100 WeakPolarHBondContact CA-O 3.41Å; G82-H100 PolarHBondContact O-N 3.34Å
83	T	98.6	Very high	97.6	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.08	34%	0.343	C	S	.	.	S	Bend	trans	-137.4	168.4	-179.2	63.3	0	0	0	0	110.8	G87 T88 R89	T83-G87 WeakPolarHBondContact CG2-O 3.32Å; T83-T88 WeakPolarHBondContact CB-O 3.28Å; T83-R89 HydrophobicContact CG2-CG 4.24Å
84	L	98.5	Very high	97.5	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	36%	0.359	C	S	.	.			trans	-75.5	176.2	164	-60.4	-176.2	0	0	0	110.8	D86 G87 T88 R90 V112	L84-D86 PolarHBondContact O-N 3.09Å; L84-G87 PolarHBondContact O-N 2.94Å; L84-T88 PolarHBondContact N-O 2.9Å; L84-R90 HydrophobicContact CD1-CG 3.59Å; L84-V112 HydrophobicContact CD1-CB 4.46Å; L84-V112 HydrophobicContact CD1-CG1 3.98Å
85	Q	97.9	Very high	97.5	Very high	66 Å²	66	62.9 Å²	62.9	31%	0.308	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.2	-177.1	-85.1	171.1	77.2	0	0	114.8	G87 D114 N116	Q85-G87 PolarHBondContact O-N 2.78Å; Q85-D114 WeakPolarHBondContact CB-OD2 3.44Å; Q85-D114 WeakPolarHBondContact CG-OD2 3.47Å; Q85-D114 PolarHBondContact N-OD2 3.49Å; Q85-D114 VanDerWaalsContact NE2-CG 3.3Å; Q85-D114 PolarHBondContact NE2-OD2 3.04Å; Q85-D114 VanDerWaalsContact NE2-OD2 3.11Å; Q85-N116 VanDerWaalsContact NE2-CG 3.34Å; Q85-N116 PolarHBondContact NE2-ND2 3.34Å; Q85-N116 VanDerWaalsContact NE2-ND2 3.11Å; Q85-N116 PolarHBondContact NE2-OD1 2.89Å; Q85-N116 PolarHBondContact OE1-ND2 2.91Å
86	D	97.8	Very high	97.5	Very high	91 Å²	91	68.8 Å²	68.8	49%	0.487	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.1	173.3	70.1	2.8	0	0	0	113.6	L84 T88 R90	L84-D86 PolarHBondContact O-N 3.09Å; D86-T88 VanDerWaalsContact C-N 3.3Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-T88 WeakPolarHBondContact OD1-CA 3.33Å; D86-T88 WeakPolarHBondContact OD1-CB 3.43Å; D86-T88 PolarHBondContact OD1-N 2.65Å; D86-T88 PolarHBondContact OD1-OG1 3.01Å; D86-T88 PolarHBondContact OD2-OG1 3.23Å; D86-R90 IonicContact OD2-CZ 2.82Å; D86-R90 IonicContact OD2-NH1 3.05Å; D86-R90 IonicContact OD2-NH2 3.55Å; D86-R90 PolarHBondContact OD2-NH2 2.95Å
87	G	97.9	Very high	97.6	Very high	43 Å²	43	71.6 Å²	71.6	44%	0.443	42%	0.416	S	S	.	.	S	Bend	trans	82.2	3.1	-179.8	0	0	0	0	0	114.4	T83 L84 Q85	T83-G87 WeakPolarHBondContact CG2-O 3.32Å; L84-G87 PolarHBondContact O-N 2.94Å; Q85-G87 PolarHBondContact O-N 2.78Å
88	T	98	Very high	97.7	Very high	62 Å²	62	69.7 Å²	69.7	38%	0.38	41%	0.406	S	S	.	.			trans	-109.4	177.5	-176.4	73.1	0	0	0	0	112	T83 L84 D86 R90	T83-T88 WeakPolarHBondContact CB-O 3.28Å; L84-T88 PolarHBondContact N-O 2.9Å; D86-T88 VanDerWaalsContact C-N 3.3Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-T88 WeakPolarHBondContact OD1-CA 3.33Å; D86-T88 WeakPolarHBondContact OD1-CB 3.43Å; D86-T88 PolarHBondContact OD1-N 2.65Å; D86-T88 PolarHBondContact OD1-OG1 3.01Å; D86-T88 PolarHBondContact OD2-OG1 3.23Å; T88-R90 PolarHBondContact OG1-NH1 3.2Å
89	R	98.3	Very high	98	Very high	96 Å²	96	67.9 Å²	67.9	36%	0.362	38%	0.382	S	S	.	.			trans	-120.4	154.5	-176.2	-60	162.6	-159.5	168.8	8.8	108.9	T83 H99	T83-R89 HydrophobicContact CG2-CG 4.24Å; R89-H99 PolarHBondContact NH2-CE1 2.75Å; R89-H99 PolarHBondContact NH2-NE2 3.11Å
90	R	98.6	Very high	98.2	Very high	115 Å²	115	61.9 Å²	61.9	43%	0.434	35%	0.35	S	S	.	.			trans	-114.2	-0.7	177.2	-64.3	-70.9	178.6	-78.4	-6.4	112.7	L84 D86 T88 H100 V112	L84-R90 HydrophobicContact CD1-CG 3.59Å; D86-R90 IonicContact OD2-CZ 2.82Å; D86-R90 IonicContact OD2-NH1 3.05Å; D86-R90 IonicContact OD2-NH2 3.55Å; D86-R90 PolarHBondContact OD2-NH2 2.95Å; T88-R90 PolarHBondContact OG1-NH1 3.2Å; R90-H100 PolarHBondContact N-NE2 2.92Å; R90-V112 HydrophobicContact CB-CB 4.06Å; R90-V112 HydrophobicContact CB-CG2 4Å; R90-V112 HydrophobicContact CG-CB 3.84Å; R90-V112 HydrophobicContact CG-CG1 3.98Å; R90-V112 HydrophobicContact CG-CG2 4.07Å
91	F	98.8	Very high	98.3	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.11	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.2	-177.5	-61	-61.6	0	0	0	111.1	I25 I98 H100 T111	I25-F91 HydrophobicContact CD1-CB 4.04Å; I25-F91 HydrophobicContact CD1-CD1 3.67Å; I25-F91 HydrophobicContact CD1-CD2 3.83Å; I25-F91 HydrophobicContact CD1-CE1 3.96Å; I25-F91 HydrophobicContact CD1-CE2 4.1Å; I25-F91 HydrophobicContact CD1-CG 3.58Å; I25-F91 HydrophobicContact CD1-CZ 4.15Å; F91-I98 HydrophobicContact CB-CB 3.89Å; F91-I98 PolarHBondContact O-N 3.11Å; F91-H100 AromaticContact CD2-CE1 3.7Å; F91-H100 AromaticContact CD2-ND1 3.9Å; F91-H100 AromaticContact CD2-NE2 3.91Å; F91-H100 AromaticContact CE2-CE1 3.28Å; F91-H100 WeakPolarHBondContact CE2-CE1 3.48Å; F91-H100 AromaticContact CE2-ND1 3.35Å; F91-H100 WeakPolarHBondContact CE2-ND1 3.47Å; F91-H100 AromaticContact CE2-NE2 3.96Å; F91-T111 WeakPolarHBondContact CZ-OG1 3.38Å
92	T	98.6	Very high	98.3	Very high	111 Å²	111	55.6 Å²	55.6	68%	0.681	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.5	165.4	59	0	0	0	0	108.7	K96	T92-K96 CarbonylContact C-O 3.57Å; T92-K96 VanDerWaalsContact CA-O 3.22Å; T92-K96 WeakPolarHBondContact CA-O 3.17Å
93	C	98.4	Very high	98.3	Very high	76 Å²	76	56.1 Å²	56.1	51%	0.514	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.3	171.6	-175.8	0	0	0	0	107.8	G95 K96 I98	C93-G95 PolarHBondContact O-N 3.5Å; C93-K96 PolarHBondContact N-O 2.96Å; C93-K96 PolarHBondContact O-N 3.37Å; C93-I98 HydrophobicContact CB-CD1 3.91Å; C93-I98 HydrophobicContact CB-CG1 3.73Å
94	S	97.7	Very high	98.3	Very high	118 Å²	118	55.5 Å²	55.5	83%	0.825	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	43.2	-174.9	-55.9	0	0	0	0	113.1	K96	S94-K96 PolarHBondContact O-N 3.23Å
95	G	97.4	Very high	98.3	Very high	74 Å²	74	55.3 Å²	55.3	76%	0.763	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	0.3	-179.7	0	0	0	0	0	115.7	C93	C93-G95 PolarHBondContact O-N 3.5Å
96	K	98.1	Very high	98.3	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.4	179.6	-63.8	-180	-178.2	178.8	0	111.1	T92 C93 S94	T92-K96 CarbonylContact C-O 3.57Å; T92-K96 VanDerWaalsContact CA-O 3.22Å; T92-K96 WeakPolarHBondContact CA-O 3.17Å; C93-K96 PolarHBondContact N-O 2.96Å; C93-K96 PolarHBondContact O-N 3.37Å; S94-K96 PolarHBondContact O-N 3.23Å
97	P	98.4	Very high	98.4	Very high	69 Å²	69	52.1 Å²	52.1	45%	0.448	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.9	177.2	28.3	-34.1	0	0	0	111.1
98	I	98.8	Very high	98.4	Very high	20 Å²	20	51.9 Å²	51.9	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.3	178.2	-50.7	-60.2	0	0	0	109.4	P23 I25 F91 C93	P23-I98 HydrophobicContact CB-CD1 4.01Å; P23-I98 HydrophobicContact CG-CD1 3.56Å; I25-I98 HydrophobicContact CD1-CG2 4.47Å; I25-I98 HydrophobicContact CG1-CG2 3.88Å; F91-I98 HydrophobicContact CB-CB 3.89Å; F91-I98 PolarHBondContact O-N 3.11Å; C93-I98 HydrophobicContact CB-CD1 3.91Å; C93-I98 HydrophobicContact CB-CG1 3.73Å
99	H	98.9	Very high	98.5	Very high	19 Å²	19	56.8 Å²	56.8	9%	0.088	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-70.8	151.8	179.3	-72.8	-88.9	0	0	0	112	P21 P23 V24 I25 R81 G82 R89	P21-H99 WeakPolarHBondContact CB-CE1 3.46Å; P23-H99 WeakPolarHBondContact O-CB 3.21Å; P23-H99 PolarHBondContact O-CD2 3.22Å; P23-H99 PolarHBondContact O-N 3.36Å; V24-H99 HydrophobicContact CB-CB 4.23Å; V24-H99 HydrophobicContact CG2-CB 4.09Å; I25-H99 PolarHBondContact N-O 3.3Å; R81-H99 PolarHBondContact O-ND1 2.9Å; G82-H99 WeakPolarHBondContact O-CA 3.12Å; G82-H99 WeakPolarHBondContact O-CB 3.36Å; G82-H99 PolarHBondContact O-ND1 3.33Å; G82-H99 VanDerWaalsContact O-ND1 3.14Å; R89-H99 PolarHBondContact NH2-CE1 2.75Å; R89-H99 PolarHBondContact NH2-NE2 3.11Å
100	H	98.8	Very high	98.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.328	C	S	.	.			trans	-79.8	155.5	164.5	-76.1	-92.8	0	0	0	110.8	G82 R90 F91 S105 V112	G82-H100 CarbonylContact C-O 3.38Å; G82-H100 WeakPolarHBondContact CA-O 3.41Å; G82-H100 PolarHBondContact O-N 3.34Å; R90-H100 PolarHBondContact N-NE2 2.92Å; F91-H100 AromaticContact CD2-CE1 3.7Å; F91-H100 AromaticContact CD2-ND1 3.9Å; F91-H100 AromaticContact CD2-NE2 3.91Å; F91-H100 AromaticContact CE2-CE1 3.28Å; F91-H100 WeakPolarHBondContact CE2-CE1 3.48Å; F91-H100 AromaticContact CE2-ND1 3.35Å; F91-H100 WeakPolarHBondContact CE2-ND1 3.47Å; F91-H100 AromaticContact CE2-NE2 3.96Å; H100-S105 WeakPolarHBondContact CA-OG 3.37Å; H100-S105 WeakPolarHBondContact CB-OG 3.41Å; H100-S105 PolarHBondContact ND1-OG 3.49Å; H100-S105 VanDerWaalsContact ND1-OG 3.09Å; H100-V112 PolarHBondContact CE1-O 3.07Å
101	F	98.8	Very high	98.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	32%	0.316	C	S	.	.	S	Bend	trans	-111	119.7	169.5	-176.7	-126	0	0	0	110	D10 V13 L18 T20 V24 I25 L26 H28 G103 V104 S105	D10-F101 WeakPolarHBondContact OD1-CE1 3.48Å; V13-F101 HydrophobicContact CG2-CD2 4.45Å; V13-F101 HydrophobicContact CG2-CE2 3.69Å; V13-F101 HydrophobicContact CG2-CZ 3.89Å; L18-F101 HydrophobicContact CD2-CE2 3.91Å; L18-F101 HydrophobicContact CD2-CZ 4.4Å; T20-F101 HydrophobicContact CG2-CD2 4.13Å; T20-F101 HydrophobicContact CG2-CE2 4.28Å; V24-F101 HydrophobicContact CG2-CB 3.86Å; I25-F101 WeakPolarHBondContact O-CB 3.33Å; L26-F101 HydrophobicContact CD2-CB 4.41Å; L26-F101 HydrophobicContact CD2-CD1 4.17Å; L26-F101 HydrophobicContact CD2-CD2 4.14Å; L26-F101 HydrophobicContact CD2-CE1 4.48Å; L26-F101 HydrophobicContact CD2-CE2 4.47Å; L26-F101 HydrophobicContact CD2-CG 3.99Å; H28-F101 HydrophobicContact CB-CD1 4.39Å; H28-F101 HydrophobicContact CB-CE1 4.25Å; H28-F101 AromaticContact ND1-CE1 3.73Å; F101-G103 PolarHBondContact O-N 3.12Å; F101-V104 WeakPolarHBondContact O-CG2 3.3Å; F101-V104 PolarHBondContact O-N 3.1Å; F101-S105 PolarHBondContact N-OG 2.82Å; F101-S105 PolarHBondContact O-N 3.3Å
102	V	98.3	Very high	98.5	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	45	35.2	177.3	-61.5	0	0	0	0	114.4	H28 F54 L77 V104	H28-V102 HydrophobicContact CB-CG2 3.74Å; F54-V102 HydrophobicContact CB-CB 4.19Å; F54-V102 HydrophobicContact CB-CG2 3.65Å; L77-V102 HydrophobicContact CD1-CB 3.72Å; L77-V102 HydrophobicContact CD1-CG1 3.49Å; L77-V102 VanDerWaalsContact CD1-CG1 3.49Å; L77-V102 HydrophobicContact CG-CG1 3.86Å; V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 HydrophobicContact CG2-CG2 3.84Å; V102-V104 PolarHBondContact O-N 2.8Å
103	G	97.7	Very high	98.5	Very high	11 Å²	11	54.2 Å²	54.2	11%	0.113	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	12.8	178.8	0	0	0	0	0	116	F101 V113	F101-G103 PolarHBondContact O-N 3.12Å; G103-V113 WeakPolarHBondContact O-CG1 3.46Å
104	V	98.6	Very high	98.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-46	-174.1	-61.5	0	0	0	0	115.1	H28 P52 F54 F101 V102 T106 T111 V113	H28-V104 HydrophobicContact CB-CG2 3.73Å; P52-V104 HydrophobicContact CB-CB 3.85Å; P52-V104 HydrophobicContact CB-CG1 3.56Å; F54-V104 HydrophobicContact CB-CG2 4.42Å; F101-V104 WeakPolarHBondContact O-CG2 3.3Å; F101-V104 PolarHBondContact O-N 3.1Å; V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 HydrophobicContact CG2-CG2 3.84Å; V102-V104 PolarHBondContact O-N 2.8Å; V104-T106 HydrophobicContact CB-CG2 3.99Å; V104-T106 HydrophobicContact CG2-CG2 4.09Å; V104-T106 PolarHBondContact O-N 3.14Å; V104-T111 WeakPolarHBondContact O-CB 3.36Å; V104-T111 VanDerWaalsContact O-CG2 3.3Å; V104-T111 WeakPolarHBondContact O-CG2 3.32Å; V104-T111 PolarHBondContact O-OG1 3.37Å; V104-V113 HydrophobicContact CB-CG1 4.47Å; V104-V113 HydrophobicContact CG1-CG1 4.42Å
105	S	98.8	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.			trans	50	59.2	172.6	-43.2	0	0	0	0	115	I25 L26 G27 H100 F101 F107	I25-S105 WeakPolarHBondContact O-CB 3.31Å; L26-S105 CarbonylContact O-C 3.47Å; G27-S105 PolarHBondContact O-N 3.28Å; H100-S105 WeakPolarHBondContact CA-OG 3.37Å; H100-S105 WeakPolarHBondContact CB-OG 3.41Å; H100-S105 PolarHBondContact ND1-OG 3.49Å; H100-S105 VanDerWaalsContact ND1-OG 3.09Å; F101-S105 PolarHBondContact N-OG 2.82Å; F101-S105 PolarHBondContact O-N 3.3Å; S105-F107 PolarHBondContact O-N 3.45Å
106	T	98.8	Very high	98.7	Very high	2 Å²	2	48 Å²	48	1%	0.012	24%	0.241	C	C	.	.			trans	-85.3	-6.9	-164.2	70	0	0	0	0	115.4	M1 L26 G27 H28 A30 P52 V104 S108	M1-T106 HydrophobicContact CE-CG2 4.47Å; L26-T106 PolarHBondContact O-N 2.98Å; L26-T106 VanDerWaalsContact O-N 3.11Å; G27-T106 VanDerWaalsContact CA-OG1 3.24Å; G27-T106 WeakPolarHBondContact CA-OG1 3.2Å; G27-T106 PolarHBondContact O-N 3.04Å; G27-T106 PolarHBondContact O-OG1 3.18Å; H28-T106 PolarHBondContact N-OG1 3.15Å; A30-T106 VanDerWaalsContact CB-CB 3.43Å; A30-T106 HydrophobicContact CB-CG2 3.58Å; P52-T106 HydrophobicContact CB-CG2 4.41Å; P52-T106 HydrophobicContact CG-CG2 4.18Å; V104-T106 HydrophobicContact CB-CG2 3.99Å; V104-T106 HydrophobicContact CG2-CG2 4.09Å; V104-T106 PolarHBondContact O-N 3.14Å; T106-S108 PolarHBondContact O-N 3.33Å
107	F	98.8	Very high	98.7	Very high	88 Å²	88	41.1 Å²	41.1	39%	0.386	21%	0.212	S	C	.	.	S	Bend	trans	-79.9	50.8	172	-63.5	-12	0	0	0	112	A4 I6 D10 I25 L26 G27 S105	A4-F107 HydrophobicContact CB-CD1 4.17Å; A4-F107 HydrophobicContact CB-CE1 4.22Å; I6-F107 HydrophobicContact CG1-CZ 4.41Å; D10-F107 HydrophobicContact CB-CE2 4.16Å; D10-F107 HydrophobicContact CB-CZ 4.28Å; I25-F107 HydrophobicContact CG2-CB 4.43Å; L26-F107 HydrophobicContact CB-CD2 3.68Å; L26-F107 HydrophobicContact CB-CE2 3.91Å; L26-F107 WeakPolarHBondContact O-CB 3.39Å; L26-F107 WeakPolarHBondContact O-CG 3.38Å; L26-F107 PolarHBondContact O-N 3.43Å; G27-F107 VanDerWaalsContact CA-CE1 3.48Å; S105-F107 PolarHBondContact O-N 3.45Å
108	S	98.8	Very high	98.7	Very high	39 Å²	39	38.9 Å²	38.9	27%	0.273	20%	0.197	S	C	.	.	S	Bend	trans	-148.8	149.1	176.4	177.2	0	0	0	0	110.2	T106 Y110	T106-S108 PolarHBondContact O-N 3.33Å; S108-Y110 VanDerWaalsContact CB-O 3.26Å; S108-Y110 WeakPolarHBondContact CB-O 3.25Å; S108-Y110 PolarHBondContact O-N 3.23Å; S108-Y110 PolarHBondContact OG-N 3.18Å; S108-Y110 PolarHBondContact OG-O 2.73Å
109	Q	98.8	Very high	98.7	Very high	165 Å²	165	39.6 Å²	39.6	77%	0.771	21%	0.206	S	C	*	.	S	Bend	trans	-60.2	-31.4	174.6	-71.9	179.8	-39.6	0	0	111.9	M1	M1-Q109 PolarHBondContact N-O 2.77Å
110	Y	98.9	Very high	98.7	Very high	158 Å²	158	43.9 Å²	43.9	62%	0.62	22%	0.224	S	C	*	.	S	Bend	trans	-135.7	145.1	173.3	-69.6	-92.6	0	0	0	110.1	E35 S108	E35-Y110 HydrophobicContact CB-CD1 4.42Å; E35-Y110 HydrophobicContact CB-CE1 4.01Å; E35-Y110 HydrophobicContact CG-CE1 3.9Å; S108-Y110 VanDerWaalsContact CB-O 3.26Å; S108-Y110 WeakPolarHBondContact CB-O 3.25Å; S108-Y110 PolarHBondContact O-N 3.23Å; S108-Y110 PolarHBondContact OG-N 3.18Å; S108-Y110 PolarHBondContact OG-O 2.73Å
111	T	98.9	Very high	98.7	Very high	30 Å²	30	45.6 Å²	45.6	18%	0.184	23%	0.233	C	C	.	.			trans	-138.3	161.3	171.3	-165.5	0	0	0	0	109.3	M1 F91 V104 V113	M1-T111 HydrophobicContact CE-CG2 3.19Å; F91-T111 WeakPolarHBondContact CZ-OG1 3.38Å; V104-T111 WeakPolarHBondContact O-CB 3.36Å; V104-T111 VanDerWaalsContact O-CG2 3.3Å; V104-T111 WeakPolarHBondContact O-CG2 3.32Å; V104-T111 PolarHBondContact O-OG1 3.37Å; T111-V113 HydrophobicContact CG2-CG1 3.99Å
112	V	98.9	Very high	98.7	Very high	68 Å²	68	50.6 Å²	50.6	41%	0.412	26%	0.26	S	S	.	.			trans	-117.6	129.4	172.9	-178.7	0	0	0	0	107.2	L84 R90 H100	L84-V112 HydrophobicContact CD1-CB 4.46Å; L84-V112 HydrophobicContact CD1-CG1 3.98Å; R90-V112 HydrophobicContact CB-CB 4.06Å; R90-V112 HydrophobicContact CB-CG2 4Å; R90-V112 HydrophobicContact CG-CB 3.84Å; R90-V112 HydrophobicContact CG-CG1 3.98Å; R90-V112 HydrophobicContact CG-CG2 4.07Å; H100-V112 PolarHBondContact CE1-O 3.07Å
113	V	98.9	Very high	98.7	Very high	37 Å²	37	53.6 Å²	53.6	22%	0.224	29%	0.286	C	S	.	.			trans	-126.8	153.1	178	-58.3	0	0	0	0	109.9	G103 V104 T111 A117 V118	G103-V113 WeakPolarHBondContact O-CG1 3.46Å; V104-V113 HydrophobicContact CB-CG1 4.47Å; V104-V113 HydrophobicContact CG1-CG1 4.42Å; T111-V113 HydrophobicContact CG2-CG1 3.99Å; V113-A117 HydrophobicContact CB-CB 4.5Å; V113-V118 HydrophobicContact CG2-CB 3.86Å; V113-V118 HydrophobicContact CG2-CG1 4.28Å; V113-V118 HydrophobicContact CG2-CG2 4.5Å
114	D	98.8	Very high	98.8	Very high	42 Å²	42	57 Å²	57	23%	0.225	31%	0.313	C	S	.	.			trans	-67.3	149.4	169.2	-67.2	-62.7	0	0	0	110.3	Q85 N116 A117	Q85-D114 WeakPolarHBondContact CB-OD2 3.44Å; Q85-D114 WeakPolarHBondContact CG-OD2 3.47Å; Q85-D114 PolarHBondContact N-OD2 3.49Å; Q85-D114 VanDerWaalsContact NE2-CG 3.3Å; Q85-D114 PolarHBondContact NE2-OD2 3.04Å; Q85-D114 VanDerWaalsContact NE2-OD2 3.11Å; D114-N116 WeakPolarHBondContact CB-OD1 3.39Å; D114-N116 PolarHBondContact O-N 2.88Å; D114-N116 VanDerWaalsContact O-N 3.16Å; D114-A117 WeakPolarHBondContact O-CA 3.46Å; D114-A117 WeakPolarHBondContact O-CB 3.43Å; D114-A117 PolarHBondContact O-N 3.19Å
115	E	98.8	Very high	98.8	Very high	62 Å²	62	57.9 Å²	57.9	29%	0.29	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-57	-35.6	-176.1	-175	-178.9	-154.4	0	0	113	V41 T42 T43 A117 V118	V41-E115 HydrophobicContact CG1-CG 4.25Å; V41-E115 HydrophobicContact CG2-CB 4.5Å; T42-E115 PolarHBondContact N-OE1 3.45Å; T43-E115 WeakPolarHBondContact CB-OE1 3.46Å; T43-E115 HydrophobicContact CG2-CG 4.5Å; T43-E115 WeakPolarHBondContact CG2-OE1 3.35Å; T43-E115 PolarHBondContact N-OE1 3.14Å; T43-E115 WeakPolarHBondContact OG1-CG 3.27Å; T43-E115 PolarHBondContact OG1-OE1 3.39Å; E115-A117 PolarHBondContact O-N 3.18Å; E115-V118 WeakPolarHBondContact O-CG1 3.43Å; E115-V118 PolarHBondContact O-N 2.94Å
116	N	98.6	Very high	98.8	Very high	32 Å²	32	60.5 Å²	60.5	17%	0.171	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-75.5	-1.8	177.7	66.9	-4.5	0	0	0	114.2	P56 Q57 C58 Q85 D114	P56-N116 CarbonylContact C-O 3.58Å; P56-N116 VanDerWaalsContact CA-O 3.25Å; P56-N116 WeakPolarHBondContact CA-O 3.35Å; P56-N116 WeakPolarHBondContact CB-O 3.28Å; Q57-N116 PolarHBondContact N-O 2.9Å; C58-N116 HydrophobicContact CB-CB 4.49Å; Q85-N116 VanDerWaalsContact NE2-CG 3.34Å; Q85-N116 PolarHBondContact NE2-ND2 3.34Å; Q85-N116 VanDerWaalsContact NE2-ND2 3.11Å; Q85-N116 PolarHBondContact NE2-OD1 2.89Å; Q85-N116 PolarHBondContact OE1-ND2 2.91Å; D114-N116 WeakPolarHBondContact CB-OD1 3.39Å; D114-N116 PolarHBondContact O-N 2.88Å; D114-N116 VanDerWaalsContact O-N 3.16Å
117	A	98.7	Very high	98.8	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.033	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-112.8	22.9	178	0	0	0	0	0	111.6	P52 L53 P56 V113 D114 E115	P52-A117 CarbonylContact C-O 3.5Å; P52-A117 WeakPolarHBondContact CA-O 3.38Å; L53-A117 PolarHBondContact N-O 3.31Å; P56-A117 HydrophobicContact CB-CB 4.29Å; V113-A117 HydrophobicContact CB-CB 4.5Å; D114-A117 WeakPolarHBondContact O-CA 3.46Å; D114-A117 WeakPolarHBondContact O-CB 3.43Å; D114-A117 PolarHBondContact O-N 3.19Å; E115-A117 PolarHBondContact O-N 3.18Å
118	V	98.9	Very high	98.8	Very high	21 Å²	21	62.2 Å²	62.2	13%	0.127	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.9	173.8	64.6	0	0	0	0	111.3	V44 V50 V113 E115	V44-V118 HydrophobicContact CG1-CG1 4.38Å; V44-V118 HydrophobicContact CG2-CG1 4.35Å; V50-V118 HydrophobicContact CB-CG2 3.56Å; V50-V118 HydrophobicContact CG1-CG2 3.75Å; V50-V118 HydrophobicContact CG2-CG2 4.03Å; V113-V118 HydrophobicContact CG2-CB 3.86Å; V113-V118 HydrophobicContact CG2-CG1 4.28Å; V113-V118 HydrophobicContact CG2-CG2 4.5Å; E115-V118 WeakPolarHBondContact O-CG1 3.43Å; E115-V118 PolarHBondContact O-N 2.94Å
119	A	98.9	Very high	98.7	Very high	35 Å²	35	66.9 Å²	66.9	29%	0.289	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.3	172.9	0	0	0	0	0	110.5	V50 I51 L53	V50-A119 CarbonylContact C-O 3.6Å; V50-A119 WeakPolarHBondContact CA-O 3.4Å; V50-A119 WeakPolarHBondContact CB-O 3.4Å; I51-A119 PolarHBondContact N-O 2.95Å; I51-A119 PolarHBondContact O-N 3.42Å; L53-A119 HydrophobicContact CD1-CB 4.17Å; L53-A119 HydrophobicContact CD2-CB 4.01Å; L53-A119 HydrophobicContact CG-CB 4.3Å
120	K	98.9	Very high	98.7	Very high	109 Å²	109	60.1 Å²	60.1	47%	0.474	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.9	164.2	-175.2	174.9	178.3	154	0	110.2	V44 D48	V44-K120 HydrophobicContact CG1-CB 4.14Å; D48-K120 HydrophobicContact CB-CG 4.42Å; D48-K120 IonicContact OD1-NZ 3.3Å; D48-K120 PolarHBondContact OD1-NZ 3.16Å; D48-K120 WeakPolarHBondContact OD2-CD 3.26Å; D48-K120 VanDerWaalsContact OD2-CE 3.31Å; D48-K120 WeakPolarHBondContact OD2-CE 3.38Å; D48-K120 IonicContact OD2-NZ 3.75Å; D48-K120 PolarHBondContact OD2-NZ 2.72Å
121	I	98.9	Very high	98.7	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.185	30%	0.304	C	S	.	.			trans	-125.1	175.2	175.3	59.9	162.9	0	0	0	111.1	K49 I51 A123 L127 V130	K49-I121 HydrophobicContact CB-CD1 4.12Å; K49-I121 HydrophobicContact CB-CG1 3.73Å; K49-I121 WeakPolarHBondContact O-CG1 3.35Å; K49-I121 PolarHBondContact O-N 3.31Å; I51-I121 HydrophobicContact CB-CG2 4.44Å; I51-I121 HydrophobicContact CD1-CD1 4.27Å; I51-I121 HydrophobicContact CD1-CG2 4.01Å; I51-I121 HydrophobicContact CG1-CD1 4.04Å; I51-I121 HydrophobicContact CG1-CG2 4.04Å; I121-A123 PolarHBondContact O-N 3.31Å; I121-L127 HydrophobicContact CD1-CD2 3.75Å; I121-V130 HydrophobicContact CD1-CG2 3.82Å
122	D	98.8	Very high	98.7	Very high	109 Å²	109	55.5 Å²	55.5	58%	0.583	32%	0.316	S	S	*	.			trans	-59.9	130	178.2	-178.8	-11.2	0	0	0	111	A124 S125	D122-A124 PolarHBondContact O-N 3.01Å; D122-A124 PolarHBondContact OD1-N 2.94Å; D122-S125 WeakPolarHBondContact CB-OG 3.05Å; D122-S125 WeakPolarHBondContact O-CB 3.39Å; D122-S125 PolarHBondContact O-N 2.95Å; D122-S125 PolarHBondContact O-OG 3.12Å
123	A	98.6	Very high	98.7	Very high	78 Å²	78	56 Å²	56	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	178.7	0	0	0	0	0	113.2	K49 I121 S125	K49-A123 VanDerWaalsContact CD-O 3.31Å; K49-A123 WeakPolarHBondContact CD-O 3.46Å; K49-A123 WeakPolarHBondContact CE-O 3.43Å; K49-A123 PolarHBondContact NZ-O 3.48Å; I121-A123 PolarHBondContact O-N 3.31Å; A123-S125 VanDerWaalsContact C-N 3.34Å
124	A	98.6	Very high	98.7	Very high	82 Å²	82	54.6 Å²	54.6	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8	176.3	0	0	0	0	0	113.5	D122	D122-A124 PolarHBondContact O-N 3.01Å; D122-A124 PolarHBondContact OD1-N 2.94Å
125	S	98.6	Very high	98.7	Very high	19 Å²	19	53 Å²	53	13%	0.133	30%	0.301	C	S	.	.			trans	-62.2	133.1	-172.9	-61.5	0	0	0	0	113.1	K49 D122 A123 L127	K49-S125 PolarHBondContact NZ-O 2.95Å; D122-S125 WeakPolarHBondContact CB-OG 3.05Å; D122-S125 WeakPolarHBondContact O-CB 3.39Å; D122-S125 PolarHBondContact O-N 2.95Å; D122-S125 PolarHBondContact O-OG 3.12Å; A123-S125 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.49Å
126	P	98.6	Very high	98.7	Very high	54 Å²	54	50.4 Å²	50.4	35%	0.351	29%	0.29	S	S	.	.			trans	-74	102.2	170.4	27.4	-30.9	0	0	0	110.4	E128 K129 V130	P126-E128 WeakPolarHBondContact CA-OE2 3.42Å; P126-E128 VanDerWaalsContact CB-OE1 3.32Å; P126-E128 WeakPolarHBondContact CB-OE1 3.28Å; P126-E128 PolarHBondContact O-N 3.12Å; P126-K129 HydrophobicContact CB-CB 4.49Å; P126-K129 HydrophobicContact CB-CD 4.11Å; P126-K129 HydrophobicContact CB-CG 4.33Å; P126-K129 HydrophobicContact CG-CB 4.23Å; P126-K129 HydrophobicContact CG-CD 3.84Å; P126-K129 HydrophobicContact CG-CG 4.35Å; P126-K129 PolarHBondContact O-N 3.41Å; P126-V130 WeakPolarHBondContact O-CG2 3.36Å; P126-V130 PolarHBondContact O-N 3.22Å
127	L	98.8	Very high	98.7	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-29.8	-171.3	-65.4	-179.1	0	0	0	113.2	V2 A31 I33 K49 I121 S125 K129 V130 C131	V2-L127 HydrophobicContact CB-CB 4.27Å; V2-L127 HydrophobicContact CB-CD1 3.78Å; V2-L127 HydrophobicContact CG1-CB 4.06Å; V2-L127 HydrophobicContact CG1-CD1 4Å; V2-L127 HydrophobicContact CG2-CD1 3.73Å; A31-L127 HydrophobicContact CB-CB 4.15Å; A31-L127 HydrophobicContact CB-CD2 3.71Å; A31-L127 HydrophobicContact CB-CG 4.47Å; I33-L127 HydrophobicContact CD1-CD1 4.4Å; I33-L127 HydrophobicContact CG1-CD1 3.99Å; K49-L127 HydrophobicContact CB-CD2 4.14Å; K49-L127 HydrophobicContact CD-CD1 4.24Å; K49-L127 HydrophobicContact CD-CD2 3.82Å; K49-L127 HydrophobicContact CD-CG 4.02Å; K49-L127 HydrophobicContact CG-CD1 4.2Å; K49-L127 HydrophobicContact CG-CD2 4.06Å; K49-L127 HydrophobicContact CG-CG 4.43Å; I121-L127 HydrophobicContact CD1-CD2 3.75Å; S125-L127 PolarHBondContact O-N 3.49Å; L127-K129 PolarHBondContact O-N 3.14Å; L127-V130 HydrophobicContact CD2-CG2 4.21Å; L127-C131 WeakPolarHBondContact O-CB 3.42Å; L127-C131 PolarHBondContact O-N 3.13Å
128	E	98.5	Very high	98.7	Very high	118 Å²	118	54.3 Å²	54.3	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-69.1	-13.9	176	78.5	-69	170.6	0	0	113.9	A3 P126	A3-E128 HydrophobicContact CB-CB 4.34Å; P126-E128 WeakPolarHBondContact CA-OE2 3.42Å; P126-E128 VanDerWaalsContact CB-OE1 3.32Å; P126-E128 WeakPolarHBondContact CB-OE1 3.28Å; P126-E128 PolarHBondContact O-N 3.12Å
129	K	98.6	Very high	98.7	Very high	136 Å²	136	56 Å²	56	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-106	-48.5	174.9	-59.5	177.2	-173.5	-93	0	111.4	P126 L127 C131 L132	P126-K129 HydrophobicContact CB-CB 4.49Å; P126-K129 HydrophobicContact CB-CD 4.11Å; P126-K129 HydrophobicContact CB-CG 4.33Å; P126-K129 HydrophobicContact CG-CB 4.23Å; P126-K129 HydrophobicContact CG-CD 3.84Å; P126-K129 HydrophobicContact CG-CG 4.35Å; P126-K129 PolarHBondContact O-N 3.41Å; L127-K129 PolarHBondContact O-N 3.14Å; K129-C131 PolarHBondContact O-N 3.09Å; K129-L132 PolarHBondContact O-N 3.44Å
130	V	98.8	Very high	98.7	Very high	24 Å²	24	54.3 Å²	54.3	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-73.5	-10.9	-172.7	-58.4	0	0	0	0	113.4	A31 I51 I121 P126 L127 L132 I133	A31-V130 HydrophobicContact CB-CG2 4.4Å; I51-V130 HydrophobicContact CD1-CG2 4.47Å; I51-V130 WeakPolarHBondContact CD1-O 3.29Å; I121-V130 HydrophobicContact CD1-CG2 3.82Å; P126-V130 WeakPolarHBondContact O-CG2 3.36Å; P126-V130 PolarHBondContact O-N 3.22Å; L127-V130 HydrophobicContact CD2-CG2 4.21Å; V130-L132 PolarHBondContact O-N 3.39Å; V130-L132 VanDerWaalsContact O-N 3.16Å; V130-I133 HydrophobicContact CB-CD1 4.07Å; V130-I133 HydrophobicContact CG1-CD1 4.23Å; V130-I133 VanDerWaalsContact O-CB 3.26Å; V130-I133 WeakPolarHBondContact O-CB 3.45Å; V130-I133 PolarHBondContact O-N 3.1Å
131	C	98.6	Very high	98.7	Very high	6 Å²	6	53 Å²	53	4%	0.041	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-53.3	-33.1	171.9	58.4	0	0	0	0	113	A3 E29 A31 L127 K129 I133 G134	A3-C131 HydrophobicContact CB-CB 4.37Å; E29-C131 VanDerWaalsContact CG-O 3.28Å; E29-C131 WeakPolarHBondContact CG-O 3.28Å; A31-C131 HydrophobicContact CB-CB 4.04Å; L127-C131 WeakPolarHBondContact O-CB 3.42Å; L127-C131 PolarHBondContact O-N 3.13Å; K129-C131 PolarHBondContact O-N 3.09Å; C131-I133 PolarHBondContact O-N 3.47Å; C131-G134 PolarHBondContact O-N 2.77Å
132	L	98.8	Very high	98.7	Very high	85 Å²	85	52.3 Å²	52.3	45%	0.445	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-64.8	-21.9	178.2	-57	-178.5	0	0	0	113.4	E29 K129 V130 G134 C135 G136 F137	E29-L132 WeakPolarHBondContact OE1-CD2 3.27Å; K129-L132 PolarHBondContact O-N 3.44Å; V130-L132 PolarHBondContact O-N 3.39Å; V130-L132 VanDerWaalsContact O-N 3.16Å; L132-G134 PolarHBondContact O-N 2.87Å; L132-C135 CarbonylContact O-C 3.53Å; L132-C135 PolarHBondContact O-N 3.47Å; L132-G136 PolarHBondContact O-N 2.98Å; L132-F137 HydrophobicContact CB-CB 4.3Å; L132-F137 WeakPolarHBondContact O-CB 3.5Å; L132-F137 PolarHBondContact O-N 3.22Å
133	I	98.8	Very high	98.7	Very high	78 Å²	78	49.6 Å²	49.6	40%	0.4	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-67.7	-25.1	174.2	-59.3	178.6	0	0	0	110.3	I51 V130 C131 C135 F137 S138	I51-I133 HydrophobicContact CD1-CB 4.14Å; I51-I133 HydrophobicContact CD1-CG2 4.44Å; V130-I133 HydrophobicContact CB-CD1 4.07Å; V130-I133 HydrophobicContact CG1-CD1 4.23Å; V130-I133 VanDerWaalsContact O-CB 3.26Å; V130-I133 WeakPolarHBondContact O-CB 3.45Å; V130-I133 PolarHBondContact O-N 3.1Å; C131-I133 PolarHBondContact O-N 3.47Å; I133-C135 PolarHBondContact O-N 3.15Å; I133-F137 HydrophobicContact CG1-CD1 4.09Å; I133-S138 VanDerWaalsContact CG2-OG 3.3Å; I133-S138 WeakPolarHBondContact CG2-OG 2.89Å; I133-S138 VanDerWaalsContact O-CB 3.31Å; I133-S138 WeakPolarHBondContact O-CB 3.38Å; I133-S138 PolarHBondContact O-OG 3.28Å
134	G	98.6	Very high	98.7	Very high	8 Å²	8	46 Å²	46	8%	0.082	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.3	-21.3	176.9	0	0	0	0	0	114.2	F54 C131 L132	F54-G134 WeakPolarHBondContact CD1-O 3.33Å; F54-G134 WeakPolarHBondContact CE1-O 3.38Å; C131-G134 PolarHBondContact O-N 2.77Å; L132-G134 PolarHBondContact O-N 2.87Å
135	C	98.8	Very high	98.7	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.061	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.2	-85.8	173.1	-175.9	0	0	0	0	112.4	H28 E29 F54 L132 I133 F137 S138 T139	H28-C135 PolarHBondContact NE2-SG 3.15Å; H28-C135 VanDerWaalsContact NE2-SG 3.37Å; E29-C135 HydrophobicContact CB-CB 3.93Å; E29-C135 HydrophobicContact CG-CB 4Å; E29-C135 WeakPolarHBondContact OE2-CB 3.37Å; F54-C135 HydrophobicContact CD1-CB 4.41Å; F54-C135 HydrophobicContact CE1-CB 3.97Å; L132-C135 CarbonylContact O-C 3.53Å; L132-C135 PolarHBondContact O-N 3.47Å; I133-C135 PolarHBondContact O-N 3.15Å; C135-F137 PolarHBondContact O-N 3.28Å; C135-S138 PolarHBondContact O-N 3.43Å; C135-T139 WeakPolarHBondContact O-CB 3.18Å; C135-T139 PolarHBondContact O-N 2.91Å; C135-T139 PolarHBondContact O-OG1 3.01Å; C135-T139 VanDerWaalsContact O-OG1 3.07Å
136	G	98.4	Very high	98.7	Very high	6 Å²	6	49.3 Å²	49.3	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-38.9	-155.4	0	0	0	0	0	115	E29 L132 G140	E29-G136 WeakPolarHBondContact OE2-CA 3.45Å; E29-G136 PolarHBondContact OE2-N 3.4Å; L132-G136 PolarHBondContact O-N 2.98Å; G136-G140 PolarHBondContact O-N 3.14Å
137	F	98.9	Very high	98.7	Very high	68 Å²	68	52.2 Å²	52.2	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-54.7	176.3	173.4	-99.9	0	0	0	111.3	L132 I133 C135 T139 G140 Y141 S167 M170	L132-F137 HydrophobicContact CB-CB 4.3Å; L132-F137 WeakPolarHBondContact O-CB 3.5Å; L132-F137 PolarHBondContact O-N 3.22Å; I133-F137 HydrophobicContact CG1-CD1 4.09Å; C135-F137 PolarHBondContact O-N 3.28Å; F137-T139 VanDerWaalsContact C-N 3.32Å; F137-T139 PolarHBondContact O-N 3.44Å; F137-G140 PolarHBondContact O-N 2.9Å; F137-Y141 HydrophobicContact CE2-CD2 4.38Å; F137-Y141 HydrophobicContact CZ-CD2 4.22Å; F137-Y141 HydrophobicContact CZ-CG 4.2Å; F137-Y141 VanDerWaalsContact O-CB 3.28Å; F137-Y141 WeakPolarHBondContact O-CB 3.35Å; F137-Y141 PolarHBondContact O-N 2.89Å; F137-S167 WeakPolarHBondContact CA-OG 3.45Å; F137-M170 HydrophobicContact CE2-CE 3.95Å; F137-M170 HydrophobicContact CE2-SD 4.29Å
138	S	98.8	Very high	98.7	Very high	50 Å²	50	55.1 Å²	55.1	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-39.6	-177.2	-62.7	0	0	0	0	112.1	I133 C135 G142	I133-S138 VanDerWaalsContact CG2-OG 3.3Å; I133-S138 WeakPolarHBondContact CG2-OG 2.89Å; I133-S138 VanDerWaalsContact O-CB 3.31Å; I133-S138 WeakPolarHBondContact O-CB 3.38Å; I133-S138 PolarHBondContact O-OG 3.28Å; C135-S138 PolarHBondContact O-N 3.43Å; S138-G142 WeakPolarHBondContact O-CA 3.44Å; S138-G142 PolarHBondContact O-N 2.84Å
139	T	98.8	Very high	98.7	Very high	56 Å²	56	55.1 Å²	55.1	34%	0.344	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-56.9	175.5	-63.9	0	0	0	0	110.6	C135 F137 S143 V164	C135-T139 WeakPolarHBondContact O-CB 3.18Å; C135-T139 PolarHBondContact O-N 2.91Å; C135-T139 PolarHBondContact O-OG1 3.01Å; C135-T139 VanDerWaalsContact O-OG1 3.07Å; F137-T139 VanDerWaalsContact C-N 3.32Å; F137-T139 PolarHBondContact O-N 3.44Å; T139-S143 WeakPolarHBondContact O-CB 3.43Å; T139-S143 PolarHBondContact O-N 3.43Å; T139-S143 PolarHBondContact O-OG 3.4Å; T139-V164 HydrophobicContact CG2-CG1 3.97Å
140	G	98.8	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-46.8	-176.4	0	0	0	0	0	112.9	G136 F137 S143 A144 V168	G136-G140 PolarHBondContact O-N 3.14Å; F137-G140 PolarHBondContact O-N 2.9Å; G140-S143 WeakPolarHBondContact O-CB 3.42Å; G140-S143 PolarHBondContact O-N 2.97Å; G140-A144 PolarHBondContact O-N 3.47Å; G140-V168 WeakPolarHBondContact O-CA 3.46Å; G140-V168 WeakPolarHBondContact O-CG2 3.35Å
141	Y	98.9	Very high	98.7	Very high	81 Å²	81	52.8 Å²	52.8	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-47.8	-179.6	-169.2	-93.4	0	0	0	111.3	F137 S143 A144 V145 S167 M170 G171 A174	F137-Y141 HydrophobicContact CE2-CD2 4.38Å; F137-Y141 HydrophobicContact CZ-CD2 4.22Å; F137-Y141 HydrophobicContact CZ-CG 4.2Å; F137-Y141 VanDerWaalsContact O-CB 3.28Å; F137-Y141 WeakPolarHBondContact O-CB 3.35Å; F137-Y141 PolarHBondContact O-N 2.89Å; Y141-S143 VanDerWaalsContact C-N 3.35Å; Y141-S143 PolarHBondContact O-N 3.42Å; Y141-A144 PolarHBondContact O-N 3.21Å; Y141-V145 HydrophobicContact CD1-CG1 4.35Å; Y141-V145 HydrophobicContact CD1-CG2 3.89Å; Y141-V145 HydrophobicContact CE1-CB 4.5Å; Y141-V145 HydrophobicContact CE1-CG1 3.95Å; Y141-V145 HydrophobicContact CE1-CG2 3.78Å; Y141-V145 WeakPolarHBondContact O-CG2 3.39Å; Y141-V145 PolarHBondContact O-N 2.94Å; Y141-S167 WeakPolarHBondContact CA-O 3.16Å; Y141-S167 PolarHBondContact N-O 2.94Å; Y141-M170 HydrophobicContact CD2-CB 4.37Å; Y141-G171 VanDerWaalsContact CD2-CA 3.5Å; Y141-A174 HydrophobicContact CE2-CB 3.96Å; Y141-A174 WeakPolarHBondContact OH-CB 3.32Å
142	G	98.8	Very high	98.7	Very high	22 Å²	22	57.6 Å²	57.6	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-36.3	177.8	0	0	0	0	0	113.4	S138 A144 K146 V147	S138-G142 WeakPolarHBondContact O-CA 3.44Å; S138-G142 PolarHBondContact O-N 2.84Å; G142-A144 VanDerWaalsContact C-N 3.28Å; G142-A144 PolarHBondContact O-N 3.38Å; G142-K146 WeakPolarHBondContact O-CA 3.46Å; G142-K146 WeakPolarHBondContact O-CB 3.38Å; G142-K146 PolarHBondContact O-N 2.83Å; G142-V147 PolarHBondContact O-N 3.35Å; G142-V147 VanDerWaalsContact O-N 3.09Å
143	S	98.9	Very high	98.7	Very high	52 Å²	52	56.1 Å²	56.1	36%	0.364	34%	0.337	S	S	.	.	I	π-helix	trans	-57.1	-41.1	173.5	-73.6	0	0	0	0	112.1	T139 G140 Y141 A148	T139-S143 WeakPolarHBondContact O-CB 3.43Å; T139-S143 PolarHBondContact O-N 3.43Å; T139-S143 PolarHBondContact O-OG 3.4Å; G140-S143 WeakPolarHBondContact O-CB 3.42Å; G140-S143 PolarHBondContact O-N 2.97Å; Y141-S143 VanDerWaalsContact C-N 3.35Å; Y141-S143 PolarHBondContact O-N 3.42Å; S143-A148 VanDerWaalsContact O-CB 3.31Å; S143-A148 WeakPolarHBondContact O-CB 3.47Å; S143-A148 PolarHBondContact O-N 2.94Å
144	A	98.8	Very high	98.7	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	33%	0.328	C	S	.	.	I	π-helix	trans	-74	-54.2	177.5	0	0	0	0	0	112.3	G140 Y141 G142 K149 V150 V168	G140-A144 PolarHBondContact O-N 3.47Å; Y141-A144 PolarHBondContact O-N 3.21Å; G142-A144 VanDerWaalsContact C-N 3.28Å; G142-A144 PolarHBondContact O-N 3.38Å; A144-K149 PolarHBondContact O-N 3.07Å; A144-V150 HydrophobicContact CB-CG2 4.27Å; A144-V150 PolarHBondContact O-N 3.44Å; A144-V150 VanDerWaalsContact O-N 3.15Å; A144-V168 HydrophobicContact CB-CG1 4.38Å
145	V	98.8	Very high	98.7	Very high	54 Å²	54	57.3 Å²	57.3	33%	0.327	35%	0.348	S	S	.	.	I	π-helix	trans	-85.3	-30.7	-166.4	-53.3	0	0	0	0	113.8	Y141	Y141-V145 HydrophobicContact CD1-CG1 4.35Å; Y141-V145 HydrophobicContact CD1-CG2 3.89Å; Y141-V145 HydrophobicContact CE1-CB 4.5Å; Y141-V145 HydrophobicContact CE1-CG1 3.95Å; Y141-V145 HydrophobicContact CE1-CG2 3.78Å; Y141-V145 WeakPolarHBondContact O-CG2 3.39Å; Y141-V145 PolarHBondContact O-N 2.94Å
146	K	98.6	Very high	98.7	Very high	118 Å²	118	57.8 Å²	57.8	51%	0.513	35%	0.351	S	S	.	.	I	π-helix	trans	-105.7	-40.8	-175.7	-178.3	158	172.5	63.7	0	113.2	G142 K149	G142-K146 WeakPolarHBondContact O-CA 3.46Å; G142-K146 WeakPolarHBondContact O-CB 3.38Å; G142-K146 PolarHBondContact O-N 2.83Å; K146-K149 VanDerWaalsContact O-CE 3.27Å; K146-K149 WeakPolarHBondContact O-CE 3.46Å; K146-K149 WeakPolarHBondContact O-CG 3.38Å
147	V	98.6	Very high	98.8	Very high	115 Å²	115	60.3 Å²	60.3	70%	0.697	37%	0.372	S	S	*	.	I	π-helix	trans	-84.1	-61.3	-178.2	-177.6	0	0	0	0	110.7	G142 K149	G142-V147 PolarHBondContact O-N 3.35Å; G142-V147 VanDerWaalsContact O-N 3.09Å; V147-K149 VanDerWaalsContact C-N 3.3Å; V147-K149 PolarHBondContact O-N 3.49Å
148	A	98.6	Very high	98.8	Very high	70 Å²	70	57.5 Å²	57.5	58%	0.579	36%	0.36	S	S	*	.	S	Bend	trans	-73.5	-23.5	179.7	0	0	0	0	0	112.9	S143 V150	S143-A148 VanDerWaalsContact O-CB 3.31Å; S143-A148 WeakPolarHBondContact O-CB 3.47Å; S143-A148 PolarHBondContact O-N 2.94Å; A148-V150 VanDerWaalsContact C-N 3.29Å; A148-V150 HydrophobicContact CB-CG2 4.27Å; A148-V150 PolarHBondContact O-N 3.02Å
149	K	98.6	Very high	98.8	Very high	117 Å²	117	62.9 Å²	62.9	51%	0.509	38%	0.377	S	S	.	.			trans	51.7	49.9	-178.6	-61.7	172.4	-178.6	166.4	0	110.7	E68 A144 K146 V147 T151	E68-K149 IonicContact OE2-NZ 2.73Å; E68-K149 PolarHBondContact OE2-NZ 2.93Å; A144-K149 PolarHBondContact O-N 3.07Å; K146-K149 VanDerWaalsContact O-CE 3.27Å; K146-K149 WeakPolarHBondContact O-CE 3.46Å; K146-K149 WeakPolarHBondContact O-CG 3.38Å; V147-K149 VanDerWaalsContact C-N 3.3Å; V147-K149 PolarHBondContact O-N 3.49Å; K149-T151 PolarHBondContact O-N 3.03Å
150	V	98.8	Very high	98.7	Very high	28 Å²	28	61.6 Å²	61.6	17%	0.17	38%	0.375	C	S	.	.			trans	-48	134.9	179.5	173	0	0	0	0	110	A144 A148 S154 A175 A177	A144-V150 HydrophobicContact CB-CG2 4.27Å; A144-V150 PolarHBondContact O-N 3.44Å; A144-V150 VanDerWaalsContact O-N 3.15Å; A148-V150 VanDerWaalsContact C-N 3.29Å; A148-V150 HydrophobicContact CB-CG2 4.27Å; A148-V150 PolarHBondContact O-N 3.02Å; V150-S154 WeakPolarHBondContact CG1-OG 3.43Å; V150-A175 HydrophobicContact CB-CB 3.74Å; V150-A175 HydrophobicContact CG1-CB 3.76Å; V150-A177 HydrophobicContact CG1-CB 4.05Å
151	T	98.7	Very high	98.7	Very high	83 Å²	83	62 Å²	62	51%	0.509	38%	0.377	S	S	.	.			trans	-106.5	151.7	-176	54.8	0	0	0	0	112	K149 G153 S154	K149-T151 PolarHBondContact O-N 3.03Å; T151-G153 PolarHBondContact O-N 3.44Å; T151-S154 VanDerWaalsContact O-CB 3.25Å; T151-S154 WeakPolarHBondContact O-CB 3.4Å; T151-S154 PolarHBondContact O-N 3.03Å; T151-S154 PolarHBondContact O-OG 3.32Å
152	P	98.8	Very high	98.7	Very high	107 Å²	107	60 Å²	60	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	138.1	173.9	-27.1	35.5	0	0	0	112.4	S154 G176	P152-S154 PolarHBondContact O-N 3.34Å; P152-G176 CarbonylContact C-O 3.59Å; P152-G176 WeakPolarHBondContact CA-O 3.45Å
153	G	98.6	Very high	98.7	Very high	55 Å²	55	61.6 Å²	61.6	57%	0.567	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-8.2	-179.9	0	0	0	0	0	115.2	T151 G176 A178	T151-G153 PolarHBondContact O-N 3.44Å; G153-G176 PolarHBondContact N-O 2.81Å; G153-A178 WeakPolarHBondContact O-CB 3.27Å
154	S	98.8	Very high	98.6	Very high	29 Å²	29	61.8 Å²	61.8	20%	0.203	40%	0.397	C	S	.	.			trans	-67.6	162.3	-179.9	64.2	0	0	0	0	113.3	V150 T151 P152 A177 A178 R179	V150-S154 WeakPolarHBondContact CG1-OG 3.43Å; T151-S154 VanDerWaalsContact O-CB 3.25Å; T151-S154 WeakPolarHBondContact O-CB 3.4Å; T151-S154 PolarHBondContact O-N 3.03Å; T151-S154 PolarHBondContact O-OG 3.32Å; P152-S154 PolarHBondContact O-N 3.34Å; S154-A177 CarbonylContact O-C 3.55Å; S154-A177 WeakPolarHBondContact O-CA 3.31Å; S154-A178 PolarHBondContact O-N 2.85Å; S154-R179 PolarHBondContact O-N 2.88Å
155	T	98.9	Very high	98.6	Very high	82 Å²	82	62.2 Å²	62.2	50%	0.503	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.6	168.3	-64.3	0	0	0	0	109.2	R179 I181	T155-R179 CarbonylContact C-O 3.57Å; T155-R179 WeakPolarHBondContact CA-O 3.35Å; T155-R179 HydrophobicContact CG2-CB 3.88Å; T155-I181 HydrophobicContact CG2-CD1 4.1Å
156	C	98.8	Very high	98.6	Very high	19 Å²	19	63.8 Å²	63.8	13%	0.128	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.6	178.1	-56.9	0	0	0	0	111	C172 R179 I180 I181	C156-C172 HydrophobicContact CB-CB 4.4Å; C156-R179 PolarHBondContact N-O 3.39Å; C156-I180 CarbonylContact O-C 3.54Å; C156-I180 WeakPolarHBondContact O-CA 3.3Å; C156-I181 PolarHBondContact O-N 3.37Å
157	A	98.8	Very high	98.7	Very high	59 Å²	59	58.6 Å²	58.6	49%	0.488	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.3	165.9	0	0	0	0	0	109.3	F159 I181	A157-F159 HydrophobicContact CB-CE2 4.04Å; A157-I181 CarbonylContact C-O 3.55Å; A157-I181 VanDerWaalsContact CA-O 3.3Å; A157-I181 WeakPolarHBondContact CA-O 3.32Å; A157-I181 HydrophobicContact CB-CB 4.48Å
158	V	98.8	Very high	98.7	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.055	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.6	-178.8	-176.8	0	0	0	0	109	V168 V169 I180 I181 V183	V158-V168 HydrophobicContact CG1-CB 4.16Å; V158-V168 HydrophobicContact CG1-CG1 4.18Å; V158-V168 HydrophobicContact CG2-CB 4.46Å; V158-V168 HydrophobicContact CG2-CG1 3.78Å; V158-V169 HydrophobicContact CB-CG2 4.21Å; V158-V169 HydrophobicContact CG1-CG2 4.25Å; V158-V169 HydrophobicContact CG2-CG2 3.97Å; V158-I180 HydrophobicContact CG2-CG2 4.11Å; V158-I181 PolarHBondContact N-O 3.15Å; V158-V183 PolarHBondContact O-N 3.4Å
159	F	98.8	Very high	98.7	Very high	163 Å²	163	53 Å²	53	72%	0.715	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.4	-179.8	-70	-100.3	0	0	0	110.4	A157 V183	A157-F159 HydrophobicContact CB-CE2 4.04Å; F159-V183 HydrophobicContact CD1-CB 3.98Å; F159-V183 HydrophobicContact CD1-CG1 3.87Å; F159-V183 HydrophobicContact CD1-CG2 4.47Å; F159-V183 HydrophobicContact CE1-CB 4.2Å; F159-V183 HydrophobicContact CE1-CG1 3.94Å; F159-V183 HydrophobicContact CE1-CG2 4.28Å; F159-V183 HydrophobicContact CG-CB 4.38Å; F159-V183 HydrophobicContact CZ-CG2 4.43Å
160	G	98.3	Very high	98.7	Very high	29 Å²	29	52.4 Å²	52.4	30%	0.299	35%	0.345	S	S	.	.			trans	90	127.4	-174.6	0	0	0	0	0	112.7	G165 V183	G160-G165 WeakPolarHBondContact O-CA 3.37Å; G160-V183 PolarHBondContact N-O 3.04Å
161	L	98.4	Very high	98.7	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.042	34%	0.337	C	S	.	.			trans	-114.1	42.2	-178.4	-68.4	-176.5	0	0	0	112.8	L166 V169 A182 D184 K189 F190	L161-L166 HydrophobicContact CD2-CD2 4.29Å; L161-V169 HydrophobicContact CD2-CG2 4.4Å; L161-A182 HydrophobicContact CD1-CB 3.94Å; L161-A182 HydrophobicContact CD2-CB 3.85Å; L161-A182 HydrophobicContact CG-CB 4.25Å; L161-D184 HydrophobicContact CB-CB 4.23Å; L161-D184 HydrophobicContact CD1-CB 4.18Å; L161-D184 HydrophobicContact CG-CB 4.1Å; L161-D184 PolarHBondContact N-OD2 3.48Å; L161-K189 HydrophobicContact CB-CB 3.85Å; L161-K189 HydrophobicContact CB-CG 4.46Å; L161-K189 HydrophobicContact CD1-CB 4.04Å; L161-F190 HydrophobicContact CD1-CD1 3.37Å; L161-F190 HydrophobicContact CD1-CE1 3.33Å; L161-F190 HydrophobicContact CG-CE1 4.47Å
162	G	98.1	Very high	98.7	Very high	40 Å²	40	47.3 Å²	47.3	41%	0.412	31%	0.314	S	S	.	.	S	Bend	trans	-75.3	-174.4	162.6	0	0	0	0	0	112.3	V164 G165 L166	G162-V164 VanDerWaalsContact C-N 3.31Å; G162-V164 PolarHBondContact O-N 3.13Å; G162-G165 PolarHBondContact O-N 3.19Å; G162-G165 VanDerWaalsContact O-N 3.14Å; G162-L166 WeakPolarHBondContact O-CG 3.44Å; G162-L166 PolarHBondContact O-N 3.44Å
163	G	98.3	Very high	98.7	Very high	54 Å²	54	49.9 Å²	49.9	56%	0.557	31%	0.314	S	S	*	.	H	α-helix	trans	-55.7	-41.7	179.8	0	0	0	0	0	113.9	S167	G163-S167 PolarHBondContact O-N 2.94Å; G163-S167 VanDerWaalsContact O-N 3.1Å; G163-S167 PolarHBondContact O-OG 3.29Å
164	V	98.8	Very high	98.7	Very high	57 Å²	57	50.3 Å²	50.3	35%	0.345	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-47.3	175.8	-177.6	0	0	0	0	111.2	T139 G162 L166 S167 V168	T139-V164 HydrophobicContact CG2-CG1 3.97Å; G162-V164 VanDerWaalsContact C-N 3.31Å; G162-V164 PolarHBondContact O-N 3.13Å; V164-L166 PolarHBondContact O-N 3.36Å; V164-S167 CarbonylContact O-C 3.55Å; V164-S167 WeakPolarHBondContact O-CA 3.49Å; V164-S167 WeakPolarHBondContact O-CB 3.34Å; V164-S167 PolarHBondContact O-N 2.94Å; V164-V168 PolarHBondContact O-N 2.9Å
165	G	98.7	Very high	98.7	Very high	11 Å²	11	49.9 Å²	49.9	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-41.4	179.6	0	0	0	0	0	112.9	G160 G162 S167 V168 V169	G160-G165 WeakPolarHBondContact O-CA 3.37Å; G162-G165 PolarHBondContact O-N 3.19Å; G162-G165 VanDerWaalsContact O-N 3.14Å; G165-S167 VanDerWaalsContact C-N 3.28Å; G165-S167 PolarHBondContact O-N 3.35Å; G165-V168 WeakPolarHBondContact O-CB 3.35Å; G165-V168 PolarHBondContact O-N 3.37Å; G165-V168 VanDerWaalsContact O-N 3.15Å; G165-V169 PolarHBondContact O-N 3.06Å
166	L	98.8	Very high	98.7	Very high	86 Å²	86	47.6 Å²	47.6	45%	0.45	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-36.9	172.1	-68.9	173.4	0	0	0	111.9	L161 G162 V164 V168 V169 M170	L161-L166 HydrophobicContact CD2-CD2 4.29Å; G162-L166 WeakPolarHBondContact O-CG 3.44Å; G162-L166 PolarHBondContact O-N 3.44Å; V164-L166 PolarHBondContact O-N 3.36Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 PolarHBondContact O-N 3.09Å; L166-V169 WeakPolarHBondContact O-CB 3.3Å; L166-V169 PolarHBondContact O-N 2.74Å; L166-M170 WeakPolarHBondContact O-CG 3.35Å; L166-M170 PolarHBondContact O-N 3.32Å
167	S	98.9	Very high	98.7	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-31.8	175.6	-55.3	0	0	0	0	112.3	F137 Y141 G163 V164 G165 M170 G171	F137-S167 WeakPolarHBondContact CA-OG 3.45Å; Y141-S167 WeakPolarHBondContact CA-O 3.16Å; Y141-S167 PolarHBondContact N-O 2.94Å; G163-S167 PolarHBondContact O-N 2.94Å; G163-S167 VanDerWaalsContact O-N 3.1Å; G163-S167 PolarHBondContact O-OG 3.29Å; V164-S167 CarbonylContact O-C 3.55Å; V164-S167 WeakPolarHBondContact O-CA 3.49Å; V164-S167 WeakPolarHBondContact O-CB 3.34Å; V164-S167 PolarHBondContact O-N 2.94Å; G165-S167 VanDerWaalsContact C-N 3.28Å; G165-S167 PolarHBondContact O-N 3.35Å; S167-M170 PolarHBondContact O-N 3Å; S167-G171 PolarHBondContact O-N 3.06Å
168	V	98.9	Very high	98.7	Very high	29 Å²	29	48.2 Å²	48.2	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-47.6	168.1	178.4	0	0	0	0	110.5	G140 A144 V158 V164 G165 L166 M170 G171 C172	G140-V168 WeakPolarHBondContact O-CA 3.46Å; G140-V168 WeakPolarHBondContact O-CG2 3.35Å; A144-V168 HydrophobicContact CB-CG1 4.38Å; V158-V168 HydrophobicContact CG1-CB 4.16Å; V158-V168 HydrophobicContact CG1-CG1 4.18Å; V158-V168 HydrophobicContact CG2-CB 4.46Å; V158-V168 HydrophobicContact CG2-CG1 3.78Å; V164-V168 PolarHBondContact O-N 2.9Å; G165-V168 WeakPolarHBondContact O-CB 3.35Å; G165-V168 PolarHBondContact O-N 3.37Å; G165-V168 VanDerWaalsContact O-N 3.15Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 PolarHBondContact O-N 3.09Å; V168-M170 VanDerWaalsContact C-N 3.29Å; V168-M170 PolarHBondContact O-N 3.22Å; V168-G171 PolarHBondContact O-N 2.87Å; V168-G171 VanDerWaalsContact O-N 3.07Å; V168-C172 PolarHBondContact O-N 3.18Å; V168-C172 PolarHBondContact O-SG 3.34Å; V168-C172 VanDerWaalsContact O-SG 3.38Å
169	V	98.8	Very high	98.7	Very high	39 Å²	39	55.5 Å²	55.5	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-43.5	176.5	173.1	0	0	0	0	111.1	V158 L161 G165 L166 G171 C172 K173 I180	V158-V169 HydrophobicContact CB-CG2 4.21Å; V158-V169 HydrophobicContact CG1-CG2 4.25Å; V158-V169 HydrophobicContact CG2-CG2 3.97Å; L161-V169 HydrophobicContact CD2-CG2 4.4Å; G165-V169 PolarHBondContact O-N 3.06Å; L166-V169 WeakPolarHBondContact O-CB 3.3Å; L166-V169 PolarHBondContact O-N 2.74Å; V169-G171 VanDerWaalsContact C-N 3.35Å; V169-G171 PolarHBondContact O-N 3.31Å; V169-C172 PolarHBondContact O-N 2.86Å; V169-K173 WeakPolarHBondContact O-CB 3.48Å; V169-K173 PolarHBondContact O-N 3.49Å; V169-I180 HydrophobicContact CG1-CD1 4.44Å; V169-I180 HydrophobicContact CG1-CG2 4.25Å; V169-I180 HydrophobicContact CG2-CG2 4.12Å
170	M	98.9	Very high	98.7	Very high	104 Å²	104	50.2 Å²	50.2	51%	0.512	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-45.1	174.7	-67.9	172.4	76.8	0	0	111.7	F137 Y141 L166 S167 V168 K173 A174	F137-M170 HydrophobicContact CE2-CE 3.95Å; F137-M170 HydrophobicContact CE2-SD 4.29Å; Y141-M170 HydrophobicContact CD2-CB 4.37Å; L166-M170 WeakPolarHBondContact O-CG 3.35Å; L166-M170 PolarHBondContact O-N 3.32Å; S167-M170 PolarHBondContact O-N 3Å; V168-M170 VanDerWaalsContact C-N 3.29Å; V168-M170 PolarHBondContact O-N 3.22Å; M170-K173 PolarHBondContact O-N 2.86Å; M170-A174 WeakPolarHBondContact O-CB 3.34Å; M170-A174 PolarHBondContact O-N 3.11Å
171	G	98.9	Very high	98.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-44.3	177	0	0	0	0	0	113.4	Y141 S167 V168 V169 K173 A174 A175	Y141-G171 VanDerWaalsContact CD2-CA 3.5Å; S167-G171 PolarHBondContact O-N 3.06Å; V168-G171 PolarHBondContact O-N 2.87Å; V168-G171 VanDerWaalsContact O-N 3.07Å; V169-G171 VanDerWaalsContact C-N 3.35Å; V169-G171 PolarHBondContact O-N 3.31Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.77Å; G171-A174 PolarHBondContact O-N 3.41Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 3.41Å
172	C	98.9	Very high	98.7	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-42.8	175.4	-69.7	0	0	0	0	111.7	C156 V168 V169 A175 G176 A177 I180	C156-C172 HydrophobicContact CB-CB 4.4Å; V168-C172 PolarHBondContact O-N 3.18Å; V168-C172 PolarHBondContact O-SG 3.34Å; V168-C172 VanDerWaalsContact O-SG 3.38Å; V169-C172 PolarHBondContact O-N 2.86Å; C172-A175 PolarHBondContact O-N 3.49Å; C172-G176 PolarHBondContact O-N 2.85Å; C172-A177 HydrophobicContact CB-CB 4.38Å; C172-A177 WeakPolarHBondContact O-CB 3.47Å; C172-A177 PolarHBondContact O-N 3.07Å; C172-A177 VanDerWaalsContact O-N 3.13Å; C172-I180 HydrophobicContact CB-CD1 3.64Å; C172-I180 HydrophobicContact CB-CG1 3.94Å
173	K	98.8	Very high	98.7	Very high	161 Å²	161	54.7 Å²	54.7	70%	0.7	33%	0.329	S	S	*	.	H	α-helix	trans	-65.2	-46.4	176.6	-179.4	171.5	-179.3	168.7	0	111.4	V169 M170 G171 A175 G176 I180	V169-K173 WeakPolarHBondContact O-CB 3.48Å; V169-K173 PolarHBondContact O-N 3.49Å; M170-K173 PolarHBondContact O-N 2.86Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.77Å; K173-A175 PolarHBondContact O-N 3.11Å; K173-G176 PolarHBondContact O-N 3.34Å; K173-I180 HydrophobicContact CB-CD1 3.98Å
174	A	98.8	Very high	98.8	Very high	63 Å²	63	54.1 Å²	54.1	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-32.9	177.7	0	0	0	0	0	112.5	Y141 M170 G171 G176	Y141-A174 HydrophobicContact CE2-CB 3.96Å; Y141-A174 WeakPolarHBondContact OH-CB 3.32Å; M170-A174 WeakPolarHBondContact O-CB 3.34Å; M170-A174 PolarHBondContact O-N 3.11Å; G171-A174 PolarHBondContact O-N 3.41Å; A174-G176 VanDerWaalsContact C-N 3.27Å; A174-G176 PolarHBondContact O-N 3.38Å
175	A	98.8	Very high	98.7	Very high	21 Å²	21	60.1 Å²	60.1	17%	0.174	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.4	175.8	0	0	0	0	0	114.6	V150 G171 C172 K173	V150-A175 HydrophobicContact CB-CB 3.74Å; V150-A175 HydrophobicContact CG1-CB 3.76Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 3.41Å; C172-A175 PolarHBondContact O-N 3.49Å; K173-A175 PolarHBondContact O-N 3.11Å
176	G	98.7	Very high	98.7	Very high	34 Å²	34	63 Å²	63	35%	0.351	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	22.5	174.8	0	0	0	0	0	115.4	P152 G153 C172 K173 A174 A178	P152-G176 CarbonylContact C-O 3.59Å; P152-G176 WeakPolarHBondContact CA-O 3.45Å; G153-G176 PolarHBondContact N-O 2.81Å; C172-G176 PolarHBondContact O-N 2.85Å; K173-G176 PolarHBondContact O-N 3.34Å; A174-G176 VanDerWaalsContact C-N 3.27Å; A174-G176 PolarHBondContact O-N 3.38Å; G176-A178 PolarHBondContact O-N 3.47Å
177	A	98.8	Very high	98.6	Very high	16 Å²	16	66.6 Å²	66.6	13%	0.132	37%	0.366	C	S	.	.			trans	-55.9	132.8	172.1	0	0	0	0	0	110.9	V150 S154 C172 I180	V150-A177 HydrophobicContact CG1-CB 4.05Å; S154-A177 CarbonylContact O-C 3.55Å; S154-A177 WeakPolarHBondContact O-CA 3.31Å; C172-A177 HydrophobicContact CB-CB 4.38Å; C172-A177 WeakPolarHBondContact O-CB 3.47Å; C172-A177 PolarHBondContact O-N 3.07Å; C172-A177 VanDerWaalsContact O-N 3.13Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 HydrophobicContact CB-CG1 3.99Å
178	A	98.8	Very high	98.6	Very high	75 Å²	75	71.8 Å²	71.8	62%	0.62	39%	0.393	S	S	*	.	S	Bend	trans	-74.9	-32.3	178.8	0	0	0	0	0	112.3	G153 S154 G176	G153-A178 WeakPolarHBondContact O-CB 3.27Å; S154-A178 PolarHBondContact O-N 2.85Å; G176-A178 PolarHBondContact O-N 3.47Å
179	R	98.8	Very high	98.5	Very high	161 Å²	161	75.6 Å²	75.6	61%	0.608	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	136	178.5	-67.1	177.5	67	-169.9	0	110	S154 T155 C156	S154-R179 PolarHBondContact O-N 2.88Å; T155-R179 CarbonylContact C-O 3.57Å; T155-R179 WeakPolarHBondContact CA-O 3.35Å; T155-R179 HydrophobicContact CG2-CB 3.88Å; C156-R179 PolarHBondContact N-O 3.39Å
180	I	98.8	Very high	98.3	Very high	53 Å²	53	77.7 Å²	77.7	27%	0.272	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110	174.8	-55.8	165.7	0	0	0	107.3	C156 V158 V169 C172 K173 A177	C156-I180 CarbonylContact O-C 3.54Å; C156-I180 WeakPolarHBondContact O-CA 3.3Å; V158-I180 HydrophobicContact CG2-CG2 4.11Å; V169-I180 HydrophobicContact CG1-CD1 4.44Å; V169-I180 HydrophobicContact CG1-CG2 4.25Å; V169-I180 HydrophobicContact CG2-CG2 4.12Å; C172-I180 HydrophobicContact CB-CD1 3.64Å; C172-I180 HydrophobicContact CB-CG1 3.94Å; K173-I180 HydrophobicContact CB-CD1 3.98Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 HydrophobicContact CB-CG1 3.99Å
181	I	98.7	Very high	97.4	Very high	76 Å²	76	77.6 Å²	77.6	39%	0.39	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.7	-179.5	-56.6	169.9	0	0	0	107.6	T155 C156 A157 V158 V183	T155-I181 HydrophobicContact CG2-CD1 4.1Å; C156-I181 PolarHBondContact O-N 3.37Å; A157-I181 CarbonylContact C-O 3.55Å; A157-I181 VanDerWaalsContact CA-O 3.3Å; A157-I181 WeakPolarHBondContact CA-O 3.32Å; A157-I181 HydrophobicContact CB-CB 4.48Å; V158-I181 PolarHBondContact N-O 3.15Å; I181-V183 HydrophobicContact CG2-CG2 4.21Å
182	A	98.2	Very high	95.5	Very high	38 Å²	38	90.2 Å²	90.2	31%	0.314	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.5	176.1	0	0	0	0	0	110.6	L161 F190	L161-A182 HydrophobicContact CD1-CB 3.94Å; L161-A182 HydrophobicContact CD2-CB 3.85Å; L161-A182 HydrophobicContact CG-CB 4.25Å; A182-F190 HydrophobicContact CB-CE1 4.19Å
183	V	98.6	Very high	95.3	Very high	57 Å²	57	94.6 Å²	94.6	35%	0.345	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.9	-177.7	-175	0	0	0	0	109.1	V158 F159 G160 I181	V158-V183 PolarHBondContact O-N 3.4Å; F159-V183 HydrophobicContact CD1-CB 3.98Å; F159-V183 HydrophobicContact CD1-CG1 3.87Å; F159-V183 HydrophobicContact CD1-CG2 4.47Å; F159-V183 HydrophobicContact CE1-CB 4.2Å; F159-V183 HydrophobicContact CE1-CG1 3.94Å; F159-V183 HydrophobicContact CE1-CG2 4.28Å; F159-V183 HydrophobicContact CG-CB 4.38Å; F159-V183 HydrophobicContact CZ-CG2 4.43Å; G160-V183 PolarHBondContact N-O 3.04Å; I181-V183 HydrophobicContact CG2-CG2 4.21Å
184	D	98.5	Very high	95.1	Very high	42 Å²	42	91.1 Å²	91.1	23%	0.225	50%	0.497	C	S	.	.			trans	-147.3	146.1	173.7	-155.5	-60.8	0	0	0	109.3	L161 N186 F190	L161-D184 HydrophobicContact CB-CB 4.23Å; L161-D184 HydrophobicContact CD1-CB 4.18Å; L161-D184 HydrophobicContact CG-CB 4.1Å; L161-D184 PolarHBondContact N-OD2 3.48Å; D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact OD1-N 3.06Å; D184-F190 HydrophobicContact CB-CE1 4.23Å; D184-F190 HydrophobicContact CB-CZ 4.14Å
185	I	98.4	Very high	94.9	Very high	183 Å²	183	92.6 Å²	92.6	94%	0.938	50%	0.496	S	S	*	.	S	Bend	trans	-77.1	-23.8	175.8	62.5	174.2	0	0	0	111.5	K187	I185-K187 PolarHBondContact O-N 2.82Å
186	N	98.1	Very high	94.7	Very high	70 Å²	70	96.8 Å²	96.8	37%	0.374	52%	0.515	S	S	.	.			trans	-92.2	100.3	176.6	-176.1	-4.1	0	0	0	110.2	D184 D188 K189	D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact OD1-N 3.06Å; N186-D188 PolarHBondContact O-N 2.84Å; N186-D188 VanDerWaalsContact O-N 3.11Å; N186-D188 WeakPolarHBondContact OD1-CB 3.5Å; N186-D188 PolarHBondContact OD1-N 2.79Å; N186-K189 HydrophobicContact CB-CG 4.18Å; N186-K189 WeakPolarHBondContact O-CB 3.25Å; N186-K189 PolarHBondContact O-N 2.84Å; N186-K189 VanDerWaalsContact O-N 3.09Å
187	K	97.2	Very high	94.4	Very high	162 Å²	162	100.8 Å²	100.8	70%	0.704	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-58.3	-23.4	179.8	67.6	179.5	-178.2	178.8	0	114.6	I185 K189 F190	I185-K187 PolarHBondContact O-N 2.82Å; K187-K189 PolarHBondContact O-N 3.35Å; K187-K189 VanDerWaalsContact O-N 3.13Å; K187-F190 HydrophobicContact CB-CD2 4.35Å; K187-F190 PolarHBondContact O-N 3.21Å; K187-F190 VanDerWaalsContact O-N 3.1Å
188	D	97.5	Very high	94.2	Very high	119 Å²	119	106.4 Å²	106.4	64%	0.636	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-69.1	-10	179.5	-62.6	-20.2	0	0	0	112.5	N186	N186-D188 PolarHBondContact O-N 2.84Å; N186-D188 VanDerWaalsContact O-N 3.11Å; N186-D188 WeakPolarHBondContact OD1-CB 3.5Å; N186-D188 PolarHBondContact OD1-N 2.79Å
189	K	96.9	Very high	93.8	Very high	110 Å²	110	108.6 Å²	108.6	48%	0.478	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-81.9	-13.6	173.7	-61.1	-61.3	-175.5	-178.4	0	113.7	L161 N186 K187	L161-K189 HydrophobicContact CB-CB 3.85Å; L161-K189 HydrophobicContact CB-CG 4.46Å; L161-K189 HydrophobicContact CD1-CB 4.04Å; N186-K189 HydrophobicContact CB-CG 4.18Å; N186-K189 WeakPolarHBondContact O-CB 3.25Å; N186-K189 PolarHBondContact O-N 2.84Å; N186-K189 VanDerWaalsContact O-N 3.09Å; K187-K189 PolarHBondContact O-N 3.35Å; K187-K189 VanDerWaalsContact O-N 3.13Å
190	F	95.9	Very high	93.4	Very high	82 Å²	82	104.6 Å²	104.6	36%	0.36	54%	0.542	S	S	.	.	S	Bend	trans	-82.1	154.1	174.4	-55.9	-46	0	0	0	110.8	L161 A182 D184 K187 K192	L161-F190 HydrophobicContact CD1-CD1 3.37Å; L161-F190 HydrophobicContact CD1-CE1 3.33Å; L161-F190 HydrophobicContact CG-CE1 4.47Å; A182-F190 HydrophobicContact CB-CE1 4.19Å; D184-F190 HydrophobicContact CB-CE1 4.23Å; D184-F190 HydrophobicContact CB-CZ 4.14Å; K187-F190 HydrophobicContact CB-CD2 4.35Å; K187-F190 PolarHBondContact O-N 3.21Å; K187-F190 VanDerWaalsContact O-N 3.1Å; F190-K192 PolarHBondContact O-N 2.67Å
191	A	80.4	Confident	93	Very high	103 Å²	103	108.9 Å²	108.9	85%	0.851	56%	0.564	S	S	*	*			trans	-57	135.2	170	0	0	0	0	0	109.2
192	K	57.6	Low	92.5	Very high	265 Å²	265	111.9 Å²	111.9	100%	1.152	58%	0.58	S	S	*	*			trans	-77.5	0	169.4	-67.7	-173	-179.7	-179.3	0	110.2	F190	F190-K192 PolarHBondContact O-N 2.67Å

Retrieved 192 of 192 residues in 292.6 ms (Link to these results)

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