A0A087XFZ5_POEFO Loading...

protein N-terminal methyltransferase

AlphaFold DB , UniProt , Accession A0A087XFZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	38	Very low	35.7	Very low	198 Å²	198	135.6 Å²	135.6	100%	1.2	82%	0.816	S	S	*	*				0	93.8	0	-176.5	0	0	0	0	106.2	S3	V1-S3 PolarHBondContact O-N 3.21Å
2	V	29.8	Very low	36.3	Very low	143 Å²	143	143.8 Å²	143.8	87%	0.867	82%	0.821	S	S	*	*			trans	-79.1	114.9	-175	-177.8	0	0	0	0	106	T4	V2-T4 PolarHBondContact O-N 2.94Å
3	S	32	Very low	36.8	Very low	116 Å²	116	142 Å²	142	81%	0.811	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.5	123.6	-179.6	-163.3	0	0	0	0	108.9	V1	V1-S3 PolarHBondContact O-N 3.21Å
4	T	36	Very low	37	Very low	126 Å²	126	136.4 Å²	136.4	77%	0.773	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.6	133.5	-173.8	24.9	0	0	0	0	113	V2	V2-T4 PolarHBondContact O-N 2.94Å
5	S	38.4	Very low	37.4	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-49.7	122.8	167.5	47.9	0	0	0	0	113.2	L7	S5-L7 PolarHBondContact O-N 3.24Å
6	L	37.3	Very low	38.2	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	77%	0.767	S	S	*	*			trans	-83	88.2	155.1	-92	149	0	0	0	107.8	V8	L6-V8 PolarHBondContact O-N 3.41Å
7	L	34.1	Very low	39	Very low	153 Å²	153	126.2 Å²	126.2	80%	0.801	74%	0.735	S	S	*	*			trans	-67.4	104.4	156.9	-89.8	152.9	0	0	0	106.7	S5 S9	S5-L7 PolarHBondContact O-N 3.24Å; L7-S9 PolarHBondContact O-N 2.86Å
8	V	37.2	Very low	39.9	Very low	92 Å²	92	130.6 Å²	130.6	56%	0.558	75%	0.748	S	S	*	*			trans	-71.3	115.5	170.4	-178.4	0	0	0	0	107.5	L6 M13	L6-V8 PolarHBondContact O-N 3.41Å; V8-M13 HydrophobicContact CB-SD 4.24Å; V8-M13 HydrophobicContact CG1-SD 3.62Å
9	S	30.8	Very low	42.1	Very low	104 Å²	104	128 Å²	128	73%	0.727	73%	0.731	S	S	*	*			trans	-59	130.7	177	33.2	0	0	0	0	111.9	L7 D11	L7-S9 PolarHBondContact O-N 2.86Å; S9-D11 PolarHBondContact O-N 2.94Å
10	V	42.7	Very low	44.2	Very low	140 Å²	140	126.4 Å²	126.4	85%	0.848	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	88.7	175.2	-177.5	0	0	0	0	109.7
11	D	36.4	Very low	46.2	Very low	157 Å²	157	124.2 Å²	124.2	84%	0.84	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.1	2.4	152.2	-111.8	-12.2	0	0	0	116.7	S9	S9-D11 PolarHBondContact O-N 2.94Å
12	R	42.7	Very low	48.8	Very low	234 Å²	234	116.7 Å²	116.7	88%	0.883	66%	0.664	S	S	*	*			trans	-149.8	97.2	169.6	-69.9	-171.6	-173.9	-168.4	1	110.8
13	M	42.6	Very low	52	Low	120 Å²	120	110.8 Å²	110.8	59%	0.591	63%	0.627	S	S	*	*			trans	-138.5	45.9	175.3	-127.4	138.3	74.7	0	0	111.6	V8 D15 V16	V8-M13 HydrophobicContact CB-SD 4.24Å; V8-M13 HydrophobicContact CG1-SD 3.62Å; M13-D15 VanDerWaalsContact C-N 3.34Å; M13-V16 HydrophobicContact CG-CG2 4.34Å
14	G	39.5	Very low	55	Low	64 Å²	64	106.5 Å²	106.5	66%	0.66	59%	0.593	S	S	*	*			trans	-83.9	-1	172.1	0	0	0	0	0	114.9
15	D	43.7	Very low	57.9	Low	134 Å²	134	102.7 Å²	102.7	72%	0.717	57%	0.572	S	S	*	*			trans	-128.9	51.6	-169.7	-74.4	-33.2	0	0	0	112.3	M13	M13-D15 VanDerWaalsContact C-N 3.34Å
16	V	50.1	Low	60.7	Low	75 Å²	75	102.1 Å²	102.1	46%	0.455	56%	0.561	S	S	.	*	S	Bend	trans	-83.1	-7.8	165.7	-169	0	0	0	0	111.2	M13 P187	M13-V16 HydrophobicContact CG-CG2 4.34Å; V16-P187 HydrophobicContact CG1-CB 4.38Å; V16-P187 HydrophobicContact CG1-CG 4.26Å
17	A	51.9	Low	63.5	Low	27 Å²	27	94.7 Å²	94.7	22%	0.223	52%	0.523	C	S	.	.	S	Bend	trans	-102	100.8	166.9	0	0	0	0	0	108.5	D19 F23	A17-D19 PolarHBondContact O-N 3.27Å; A17-F23 HydrophobicContact CB-CB 3.87Å; A17-F23 HydrophobicContact CB-CD2 4.21Å; A17-F23 HydrophobicContact CB-CG 4.13Å
18	E	55.1	Low	66.4	Low	205 Å²	205	90.5 Å²	90.5	96%	0.958	50%	0.5	S	S	*	.	S	Bend	trans	-59.4	-13.2	179.8	-75.4	-175.2	152.1	0	0	113.3
19	D	81.5	Confident	69.3	Low	81 Å²	81	89.9 Å²	89.9	43%	0.433	49%	0.494	S	S	.	.			trans	-150.6	122.2	163.1	169.8	21.7	0	0	0	110.1	A17 S21 S22 F23	A17-D19 PolarHBondContact O-N 3.27Å; D19-S21 PolarHBondContact O-N 3.28Å; D19-S21 VanDerWaalsContact OD1-CB 3.3Å; D19-S21 WeakPolarHBondContact OD1-CB 3.28Å; D19-S21 PolarHBondContact OD1-N 2.77Å; D19-S22 WeakPolarHBondContact CB-OG 3.44Å; D19-S22 PolarHBondContact O-N 3.47Å; D19-S22 PolarHBondContact O-OG 2.76Å; D19-S22 PolarHBondContact OD2-N 3.15Å; D19-F23 PolarHBondContact O-N 3.21Å
20	K	83.9	Confident	72.4	Confident	95 Å²	95	88.5 Å²	88.5	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-61.3	-32.7	177.3	-72.7	-178	-179.2	178.4	0	111.8	Y24 T153	K20-Y24 WeakPolarHBondContact O-CD2 3.49Å; K20-Y24 PolarHBondContact O-N 2.92Å; K20-T153 HydrophobicContact CG-CG2 4.42Å
21	S	87.4	Confident	75	Confident	82 Å²	82	84 Å²	84	57%	0.573	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-50.2	179	-170.4	0	0	0	0	110.3	D19 F23 Y24 S25	D19-S21 PolarHBondContact O-N 3.28Å; D19-S21 VanDerWaalsContact OD1-CB 3.3Å; D19-S21 WeakPolarHBondContact OD1-CB 3.28Å; D19-S21 PolarHBondContact OD1-N 2.77Å; S21-F23 VanDerWaalsContact C-N 3.34Å; S21-F23 PolarHBondContact O-N 2.82Å; S21-Y24 PolarHBondContact O-N 3.05Å; S21-S25 PolarHBondContact O-N 3.19Å; S21-S25 PolarHBondContact O-OG 2.79Å
22	S	92.6	Very high	77.8	Confident	39 Å²	39	82.4 Å²	82.4	27%	0.273	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-37.1	178.9	69.8	0	0	0	0	112.6	D19 Y24 S25 N26	D19-S22 WeakPolarHBondContact CB-OG 3.44Å; D19-S22 PolarHBondContact O-N 3.47Å; D19-S22 PolarHBondContact O-OG 2.76Å; D19-S22 PolarHBondContact OD2-N 3.15Å; S22-Y24 VanDerWaalsContact C-N 3.29Å; S22-Y24 PolarHBondContact O-N 3.35Å; S22-S25 WeakPolarHBondContact CA-OG 3.23Å; S22-S25 PolarHBondContact O-N 2.83Å; S22-S25 PolarHBondContact O-OG 3.33Å; S22-N26 WeakPolarHBondContact O-CB 3.44Å; S22-N26 PolarHBondContact O-N 2.68Å; S22-N26 PolarHBondContact O-ND2 2.99Å; S22-N26 PolarHBondContact O-OD1 3.19Å
23	F	95.4	Very high	80.3	Confident	19 Å²	19	78.8 Å²	78.8	8%	0.083	42%	0.416	C	S	.	.	H	α-helix	trans	-54.3	-43.9	175.5	175	-102.3	0	0	0	112.8	A17 D19 S21 T153 S192 V194	A17-F23 HydrophobicContact CB-CB 3.87Å; A17-F23 HydrophobicContact CB-CD2 4.21Å; A17-F23 HydrophobicContact CB-CG 4.13Å; D19-F23 PolarHBondContact O-N 3.21Å; S21-F23 VanDerWaalsContact C-N 3.34Å; S21-F23 PolarHBondContact O-N 2.82Å; F23-T153 HydrophobicContact CD1-CG2 4.15Å; F23-T153 HydrophobicContact CE1-CG2 4.22Å; F23-S192 WeakPolarHBondContact CA-OG 3.11Å; F23-S192 WeakPolarHBondContact CE2-O 3.43Å; F23-S192 PolarHBondContact O-OG 2.85Å; F23-V194 HydrophobicContact CE2-CG1 4.44Å
24	Y	96.6	Very high	82.9	Confident	27 Å²	27	73.8 Å²	73.8	11%	0.106	39%	0.392	C	S	.	.	H	α-helix	trans	-78.6	-46.6	178.7	-73.7	-66.4	0	0	0	112.5	K20 S21 S22 N26 A27 E28 Q131 H151 L152 T153 H156	K20-Y24 WeakPolarHBondContact O-CD2 3.49Å; K20-Y24 PolarHBondContact O-N 2.92Å; S21-Y24 PolarHBondContact O-N 3.05Å; S22-Y24 VanDerWaalsContact C-N 3.29Å; S22-Y24 PolarHBondContact O-N 3.35Å; Y24-N26 VanDerWaalsContact C-N 3.33Å; Y24-N26 PolarHBondContact O-N 2.83Å; Y24-A27 PolarHBondContact O-N 2.74Å; Y24-E28 WeakPolarHBondContact O-CG 3.48Å; Y24-E28 PolarHBondContact O-N 2.87Å; Y24-Q131 HydrophobicContact CE1-CB 4.43Å; Y24-Q131 HydrophobicContact CE1-CG 4.27Å; Y24-H151 WeakPolarHBondContact CE1-O 3.06Å; Y24-L152 HydrophobicContact CE1-CD2 4.17Å; Y24-T153 HydrophobicContact CE2-CG2 4.16Å; Y24-T153 PolarHBondContact OH-N 3.29Å; Y24-T153 VanDerWaalsContact OH-N 3.09Å; Y24-H156 AromaticContact CE2-CE1 3.94Å; Y24-H156 AromaticContact CE2-ND1 3.54Å; Y24-H156 AromaticContact CZ-ND1 3.41Å; Y24-H156 PolarHBondContact OH-ND1 2.92Å
25	S	95.8	Very high	85.7	Confident	46 Å²	46	74.5 Å²	74.5	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-37.8	-177.1	62.3	0	0	0	0	112.5	S21 S22 A27 E28 D29	S21-S25 PolarHBondContact O-N 3.19Å; S21-S25 PolarHBondContact O-OG 2.79Å; S22-S25 WeakPolarHBondContact CA-OG 3.23Å; S22-S25 PolarHBondContact O-N 2.83Å; S22-S25 PolarHBondContact O-OG 3.33Å; S25-A27 VanDerWaalsContact C-N 3.35Å; S25-A27 PolarHBondContact O-N 3.28Å; S25-E28 PolarHBondContact O-N 2.91Å; S25-D29 WeakPolarHBondContact O-CB 3.27Å; S25-D29 PolarHBondContact O-N 3.46Å
26	N	96.8	Very high	88.2	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-39	178.1	-66.7	-7.8	0	0	0	111.6	S22 Y24 D29 Y30	S22-N26 WeakPolarHBondContact O-CB 3.44Å; S22-N26 PolarHBondContact O-N 2.68Å; S22-N26 PolarHBondContact O-ND2 2.99Å; S22-N26 PolarHBondContact O-OD1 3.19Å; Y24-N26 VanDerWaalsContact C-N 3.33Å; Y24-N26 PolarHBondContact O-N 2.83Å; N26-D29 PolarHBondContact O-N 2.75Å; N26-Y30 WeakPolarHBondContact O-CB 3.47Å; N26-Y30 PolarHBondContact O-N 3.49Å
27	A	96.8	Very high	90.5	Very high	9 Å²	9	70 Å²	70	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-66.4	-43.1	175.8	0	0	0	0	0	111.4	Y24 S25 D29 Y30 W31 D191	Y24-A27 PolarHBondContact O-N 2.74Å; S25-A27 VanDerWaalsContact C-N 3.35Å; S25-A27 PolarHBondContact O-N 3.28Å; A27-D29 PolarHBondContact O-N 2.79Å; A27-Y30 PolarHBondContact O-N 3.18Å; A27-W31 PolarHBondContact O-N 3.01Å; A27-D191 WeakPolarHBondContact CA-O 3.3Å; A27-D191 WeakPolarHBondContact CB-O 3.45Å
28	E	95.4	Very high	92.5	Very high	66 Å²	66	70.8 Å²	70.8	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-42.4	176.4	-72.7	178.2	-161	0	0	112	Y24 S25 R32 V103	Y24-E28 WeakPolarHBondContact O-CG 3.48Å; Y24-E28 PolarHBondContact O-N 2.87Å; S25-E28 PolarHBondContact O-N 2.91Å; E28-R32 WeakPolarHBondContact O-CB 3.31Å; E28-R32 PolarHBondContact O-N 3.06Å; E28-V103 HydrophobicContact CG-CG1 4.27Å; E28-V103 HydrophobicContact CG-CG2 3.76Å
29	D	96.8	Very high	94.4	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-66.1	-42	176.5	-75.1	-21.2	0	0	0	111.7	S25 N26 A27 R32	S25-D29 WeakPolarHBondContact O-CB 3.27Å; S25-D29 PolarHBondContact O-N 3.46Å; N26-D29 PolarHBondContact O-N 2.75Å; A27-D29 PolarHBondContact O-N 2.79Å; D29-R32 PolarHBondContact O-N 3.41Å; D29-R32 IonicContact OD1-CZ 3.4Å; D29-R32 IonicContact OD1-NH1 2.94Å; D29-R32 PolarHBondContact OD1-NH1 3Å; D29-R32 IonicContact OD1-NH2 3.34Å; D29-R32 PolarHBondContact OD1-NH2 2.62Å
30	Y	97.4	Very high	95.1	Very high	74 Å²	74	61.5 Å²	61.5	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-56.4	-53.9	173.2	172.3	-93.1	0	0	0	111.4	N26 A27 R32 E33 V34 V190 D191	N26-Y30 WeakPolarHBondContact O-CB 3.47Å; N26-Y30 PolarHBondContact O-N 3.49Å; A27-Y30 PolarHBondContact O-N 3.18Å; Y30-R32 VanDerWaalsContact C-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.1Å; Y30-E33 PolarHBondContact O-N 2.78Å; Y30-E33 VanDerWaalsContact O-N 3.13Å; Y30-V34 HydrophobicContact CD1-CG2 4.07Å; Y30-V34 HydrophobicContact CE1-CG2 3.58Å; Y30-V34 PolarHBondContact O-N 3.3Å; Y30-V190 HydrophobicContact CD2-CG1 4.42Å; Y30-V190 WeakPolarHBondContact CD2-O 3.28Å; Y30-V190 HydrophobicContact CE2-CG1 3.93Å; Y30-D191 HydrophobicContact CD1-CB 3.6Å; Y30-D191 HydrophobicContact CD2-CB 4.18Å; Y30-D191 HydrophobicContact CE1-CB 3.55Å; Y30-D191 HydrophobicContact CE2-CB 4.13Å; Y30-D191 HydrophobicContact CG-CB 3.93Å
31	W	97.1	Very high	95.6	Very high	45 Å²	45	58.4 Å²	58.4	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-24.5	-175.5	-77.7	112	0	0	0	113.3	A27 E33 V34 M41 F107 H151	A27-W31 PolarHBondContact O-N 3.01Å; W31-E33 VanDerWaalsContact C-N 3.26Å; W31-E33 PolarHBondContact O-N 2.84Å; W31-V34 HydrophobicContact CE3-CB 3.95Å; W31-V34 HydrophobicContact CE3-CG1 4.05Å; W31-V34 HydrophobicContact CE3-CG2 3.89Å; W31-V34 HydrophobicContact CZ3-CB 4.35Å; W31-V34 HydrophobicContact CZ3-CG1 3.97Å; W31-V34 HydrophobicContact CZ3-CG2 4.24Å; W31-V34 PolarHBondContact O-N 3.46Å; W31-M41 HydrophobicContact CZ3-CE 4.26Å; W31-F107 HydrophobicContact CB-CE2 4.19Å; W31-F107 HydrophobicContact CD2-CE2 4.41Å; W31-F107 AromaticContact CE3-CE2 3.77Å; W31-F107 HydrophobicContact CE3-CE2 3.77Å; W31-F107 HydrophobicContact CE3-CZ 4.03Å; W31-F107 WeakPolarHBondContact O-CZ 3.38Å; W31-H151 AromaticContact CE2-NE2 3.82Å; W31-H151 AromaticContact CZ2-NE2 3.94Å; W31-H151 AromaticContact NE1-CD2 3.92Å; W31-H151 AromaticContact NE1-CE1 3.37Å; W31-H151 PolarHBondContact NE1-CE1 3.47Å; W31-H151 AromaticContact NE1-NE2 3.08Å; W31-H151 PolarHBondContact NE1-NE2 2.76Å
32	R	94.3	Very high	95.9	Very high	125 Å²	125	55.2 Å²	55.2	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-32.6	173.1	-167.1	-178.7	-60	129.4	9.4	112.6	E28 D29 Y30	E28-R32 WeakPolarHBondContact O-CB 3.31Å; E28-R32 PolarHBondContact O-N 3.06Å; D29-R32 PolarHBondContact O-N 3.41Å; D29-R32 IonicContact OD1-CZ 3.4Å; D29-R32 IonicContact OD1-NH1 2.94Å; D29-R32 PolarHBondContact OD1-NH1 3Å; D29-R32 IonicContact OD1-NH2 3.34Å; D29-R32 PolarHBondContact OD1-NH2 2.62Å; Y30-R32 VanDerWaalsContact C-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.1Å
33	E	96.1	Very high	95.9	Very high	157 Å²	157	55.9 Å²	55.9	73%	0.734	30%	0.302	S	S	*	.	H	α-helix	trans	-88.2	-14.6	-179	-61.5	-58.8	136.7	0	0	113.1	Y30 W31	Y30-E33 PolarHBondContact O-N 2.78Å; Y30-E33 VanDerWaalsContact O-N 3.13Å; W31-E33 VanDerWaalsContact C-N 3.26Å; W31-E33 PolarHBondContact O-N 2.84Å
34	V	97.3	Very high	95.7	Very high	16 Å²	16	57.2 Å²	57.2	10%	0.097	32%	0.321	C	S	.	.	S	Bend	trans	-70.4	130.2	179.2	171	0	0	0	0	110.6	Y30 W31 G40 M41 F107	Y30-V34 HydrophobicContact CD1-CG2 4.07Å; Y30-V34 HydrophobicContact CE1-CG2 3.58Å; Y30-V34 PolarHBondContact O-N 3.3Å; W31-V34 HydrophobicContact CE3-CB 3.95Å; W31-V34 HydrophobicContact CE3-CG1 4.05Å; W31-V34 HydrophobicContact CE3-CG2 3.89Å; W31-V34 HydrophobicContact CZ3-CB 4.35Å; W31-V34 HydrophobicContact CZ3-CG1 3.97Å; W31-V34 HydrophobicContact CZ3-CG2 4.24Å; W31-V34 PolarHBondContact O-N 3.46Å; V34-G40 WeakPolarHBondContact CG1-O 3.36Å; V34-M41 HydrophobicContact CG1-CE 4.14Å; V34-F107 HydrophobicContact CB-CZ 4.14Å; V34-F107 HydrophobicContact CG1-CZ 4.31Å; V34-F107 WeakPolarHBondContact O-CE1 3.21Å
35	P	97.1	Very high	95.5	Very high	79 Å²	79	60.2 Å²	60.2	51%	0.513	33%	0.333	S	S	.	.			trans	-60.7	134.2	178.7	-25.9	34.5	0	0	0	112.3	T37	P35-T37 HydrophobicContact CB-CG2 4.23Å; P35-T37 PolarHBondContact O-N 3.5Å
36	P	97.3	Very high	95.2	Very high	50 Å²	50	59.1 Å²	59.1	33%	0.325	33%	0.328	S	S	.	.	S	Bend	trans	-76.2	67.9	-177.1	35	-40.5	0	0	0	111.7	I83 F107 K110	P36-I83 HydrophobicContact CB-CG2 3.98Å; P36-F107 HydrophobicContact CB-CD1 3.81Å; P36-F107 HydrophobicContact CB-CE1 4.02Å; P36-K110 HydrophobicContact CB-CB 3.98Å; P36-K110 HydrophobicContact CB-CG 3.94Å; P36-K110 WeakPolarHBondContact O-CE 3.37Å
37	T	97.7	Very high	95.1	Very high	64 Å²	64	59.8 Å²	59.8	39%	0.393	34%	0.34	S	S	.	.	S	Bend	trans	-136.8	162.1	-174.5	69.6	0	0	0	0	110.4	P35 D39 G40 M41	P35-T37 HydrophobicContact CB-CG2 4.23Å; P35-T37 PolarHBondContact O-N 3.5Å; T37-D39 PolarHBondContact O-N 3.27Å; T37-G40 PolarHBondContact O-N 3.32Å; T37-G40 PolarHBondContact OG1-N 2.76Å; T37-G40 VanDerWaalsContact OG1-N 3.1Å; T37-M41 WeakPolarHBondContact O-CG 3.3Å; T37-M41 PolarHBondContact O-N 3.23Å
38	V	94.9	Very high	95	Very high	44 Å²	44	59.8 Å²	59.8	27%	0.267	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.6	177.1	172.9	0	0	0	0	112	L42 I83 F114	V38-L42 HydrophobicContact CG1-CD1 3.98Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.9Å; V38-I83 HydrophobicContact CG2-CD1 4.28Å; V38-F114 HydrophobicContact CG2-CE2 3.92Å; V38-F114 HydrophobicContact CG2-CZ 3.81Å
39	D	95.4	Very high	95	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-40.3	179.5	-161.6	60.8	0	0	0	111.9	T37 M41 L42 G43 G44 G46	T37-D39 PolarHBondContact O-N 3.27Å; D39-M41 PolarHBondContact O-N 3.27Å; D39-L42 CarbonylContact O-C 3.46Å; D39-L42 PolarHBondContact O-N 3.44Å; D39-G43 PolarHBondContact O-N 2.93Å; D39-G44 PolarHBondContact O-N 3.41Å; D39-G44 VanDerWaalsContact OD1-C 3.26Å; D39-G44 WeakPolarHBondContact OD1-CA 3.45Å; D39-G44 WeakPolarHBondContact OD2-CA 3.06Å; D39-G46 WeakPolarHBondContact OD1-CA 3.42Å; D39-G46 PolarHBondContact OD1-N 3.13Å
40	G	94.8	Very high	95	Very high	11 Å²	11	57.6 Å²	57.6	11%	0.113	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.5	-44	172.1	0	0	0	0	0	112.5	V34 T37 L42 G43	V34-G40 WeakPolarHBondContact CG1-O 3.36Å; T37-G40 PolarHBondContact O-N 3.32Å; T37-G40 PolarHBondContact OG1-N 2.76Å; T37-G40 VanDerWaalsContact OG1-N 3.1Å; G40-L42 PolarHBondContact O-N 3.5Å; G40-L42 VanDerWaalsContact O-N 3.1Å; G40-G43 PolarHBondContact O-N 2.93Å
41	M	95.6	Very high	95	Very high	29 Å²	29	56.9 Å²	56.9	14%	0.143	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.8	176.3	-56.8	-56.3	83.3	0	0	113.8	W31 V34 T37 D39 I83 F107	W31-M41 HydrophobicContact CZ3-CE 4.26Å; V34-M41 HydrophobicContact CG1-CE 4.14Å; T37-M41 WeakPolarHBondContact O-CG 3.3Å; T37-M41 PolarHBondContact O-N 3.23Å; D39-M41 PolarHBondContact O-N 3.27Å; M41-I83 HydrophobicContact CE-CG2 4.48Å; M41-I83 HydrophobicContact CG-CD1 4.27Å; M41-I83 HydrophobicContact CG-CG1 3.87Å; M41-I83 HydrophobicContact SD-CG1 4.3Å; M41-I83 HydrophobicContact SD-CG2 4.07Å; M41-F107 HydrophobicContact CE-CD1 4.19Å; M41-F107 HydrophobicContact CE-CD2 4.19Å; M41-F107 HydrophobicContact CE-CE1 3.76Å; M41-F107 HydrophobicContact CE-CE2 3.76Å; M41-F107 HydrophobicContact CE-CG 4.41Å; M41-F107 HydrophobicContact CE-CZ 3.53Å; M41-F107 HydrophobicContact SD-CD2 4.33Å; M41-F107 HydrophobicContact SD-CE2 4.38Å
42	L	93.7	Very high	95	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-118.8	13.6	-175.7	-64.8	177.1	0	0	0	111.9	V38 D39 G40 G44 Y45 W147	V38-L42 HydrophobicContact CG1-CD1 3.98Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.9Å; D39-L42 CarbonylContact O-C 3.46Å; D39-L42 PolarHBondContact O-N 3.44Å; G40-L42 PolarHBondContact O-N 3.5Å; G40-L42 VanDerWaalsContact O-N 3.1Å; L42-G44 VanDerWaalsContact C-N 3.25Å; L42-G44 PolarHBondContact O-N 3.08Å; L42-Y45 WeakPolarHBondContact O-CB 3.27Å; L42-Y45 WeakPolarHBondContact O-CD2 3.49Å; L42-Y45 PolarHBondContact O-N 2.95Å; L42-W147 HydrophobicContact CD2-CE3 3.95Å; L42-W147 HydrophobicContact CD2-CH2 3.76Å; L42-W147 HydrophobicContact CD2-CZ3 3.21Å
43	G	91.8	Very high	95.2	Very high	53 Å²	53	49.3 Å²	49.3	55%	0.546	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	37.4	178.5	0	0	0	0	0	113.8	D39 G40	D39-G43 PolarHBondContact O-N 2.93Å; G40-G43 PolarHBondContact O-N 2.93Å
44	G	91.5	Very high	95.3	Very high	46 Å²	46	45.3 Å²	45.3	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-1.1	-176.8	0	0	0	0	0	115.3	D39 L42 G46	D39-G44 PolarHBondContact O-N 3.41Å; D39-G44 VanDerWaalsContact OD1-C 3.26Å; D39-G44 WeakPolarHBondContact OD1-CA 3.45Å; D39-G44 WeakPolarHBondContact OD2-CA 3.06Å; L42-G44 VanDerWaalsContact C-N 3.25Å; L42-G44 PolarHBondContact O-N 3.08Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-G46 PolarHBondContact O-N 3.34Å
45	Y	91.8	Very high	95.4	Very high	91 Å²	91	45.6 Å²	45.6	36%	0.357	31%	0.305	S	S	.	.			trans	-95.9	38	177	-65.3	-89.6	0	0	0	112.3	L42 S47 I48 I225	L42-Y45 WeakPolarHBondContact O-CB 3.27Å; L42-Y45 WeakPolarHBondContact O-CD2 3.49Å; L42-Y45 PolarHBondContact O-N 2.95Å; Y45-S47 PolarHBondContact O-N 3.34Å; Y45-I48 VanDerWaalsContact O-CG1 3.24Å; Y45-I48 WeakPolarHBondContact O-CG1 3.45Å; Y45-I48 PolarHBondContact O-N 3.31Å; Y45-I225 HydrophobicContact CD1-CG2 4.18Å; Y45-I225 HydrophobicContact CE1-CG2 3.53Å; Y45-I225 HydrophobicContact CE2-CG2 4.03Å; Y45-I225 VanDerWaalsContact CZ-CG2 3.44Å
46	G	90.5	Very high	95.5	Very high	22 Å²	22	41.9 Å²	41.9	23%	0.227	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-49.5	-30.5	179.2	0	0	0	0	0	115	D39 G44 I48 S49	D39-G46 WeakPolarHBondContact OD1-CA 3.42Å; D39-G46 PolarHBondContact OD1-N 3.13Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-G46 PolarHBondContact O-N 3.34Å; G46-I48 VanDerWaalsContact C-N 3.35Å; G46-I48 PolarHBondContact O-N 3.19Å; G46-S49 WeakPolarHBondContact O-CB 3.38Å; G46-S49 PolarHBondContact O-N 3.39Å
47	S	93.1	Very high	95.5	Very high	99 Å²	99	42.7 Å²	42.7	69%	0.692	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65	-27.7	-179.8	61.2	0	0	0	0	114.5	Y45 S49	Y45-S47 PolarHBondContact O-N 3.34Å; S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.45Å
48	I	94.6	Very high	95.6	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.051	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11	-178.4	70.6	165.7	0	0	0	113.2	Y45 G46 S50 I51 D52 W147 F221 P222 I225	Y45-I48 VanDerWaalsContact O-CG1 3.24Å; Y45-I48 WeakPolarHBondContact O-CG1 3.45Å; Y45-I48 PolarHBondContact O-N 3.31Å; G46-I48 VanDerWaalsContact C-N 3.35Å; G46-I48 PolarHBondContact O-N 3.19Å; I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 3.39Å; I48-I51 PolarHBondContact O-N 3.38Å; I48-D52 PolarHBondContact O-N 2.92Å; I48-W147 HydrophobicContact CD1-CH2 4.29Å; I48-W147 HydrophobicContact CD1-CZ2 4.5Å; I48-F221 HydrophobicContact CB-CD1 4.41Å; I48-F221 HydrophobicContact CB-CE1 4.11Å; I48-F221 HydrophobicContact CB-CZ 4.41Å; I48-F221 HydrophobicContact CD1-CD2 4.2Å; I48-F221 HydrophobicContact CD1-CE1 4.27Å; I48-F221 HydrophobicContact CD1-CE2 3.71Å; I48-F221 HydrophobicContact CD1-CZ 3.75Å; I48-F221 HydrophobicContact CG1-CZ 4.4Å; I48-P222 HydrophobicContact CG2-CG 3.96Å; I48-I225 HydrophobicContact CD1-CD1 4.22Å
49	S	96.1	Very high	95.7	Very high	20 Å²	20	39.9 Å²	39.9	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-55.2	-39.4	-173	-172.1	0	0	0	0	113.5	G46 S47 I53 R85	G46-S49 WeakPolarHBondContact O-CB 3.38Å; G46-S49 PolarHBondContact O-N 3.39Å; S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.45Å; S49-I53 WeakPolarHBondContact O-CB 3.3Å; S49-I53 WeakPolarHBondContact O-CG1 2.94Å; S49-I53 PolarHBondContact O-N 3.36Å; S49-R85 PolarHBondContact OG-NH1 3.48Å
50	S	96.7	Very high	95.9	Very high	78 Å²	78	36 Å²	36	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-69.3	-37.8	179.6	59.9	0	0	0	0	112.5	I48 S54	I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 3.39Å; S50-S54 WeakPolarHBondContact O-CB 3.34Å; S50-S54 PolarHBondContact O-N 2.94Å; S50-S54 PolarHBondContact O-OG 3.34Å
51	I	97.2	Very high	96	Very high	60 Å²	60	44.3 Å²	44.3	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-44.4	178.6	-61.5	170.4	0	0	0	109.6	I48 S54 G55 N220 F221	I48-I51 PolarHBondContact O-N 3.38Å; I51-S54 PolarHBondContact O-N 2.85Å; I51-G55 PolarHBondContact O-N 2.96Å; I51-N220 HydrophobicContact CG2-CB 4.3Å; I51-F221 HydrophobicContact CB-CD1 4.48Å; I51-F221 HydrophobicContact CB-CE1 4.12Å; I51-F221 HydrophobicContact CG2-CD1 3.89Å; I51-F221 HydrophobicContact CG2-CE1 3.79Å
52	D	98.4	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.2	-56.1	172.9	169.1	57.2	0	0	0	111.7	I48 S54 G55 S56 R85 Q146 W147 K177 F221	I48-D52 PolarHBondContact O-N 2.92Å; D52-S54 VanDerWaalsContact C-N 3.28Å; D52-S54 PolarHBondContact O-N 3.19Å; D52-G55 PolarHBondContact O-N 3Å; D52-S56 PolarHBondContact O-N 2.93Å; D52-S56 PolarHBondContact O-OG 3.39Å; D52-S56 VanDerWaalsContact O-OG 3.07Å; D52-R85 IonicContact OD2-CZ 2.84Å; D52-R85 IonicContact OD2-NH1 3.9Å; D52-R85 PolarHBondContact OD2-NH1 3.36Å; D52-R85 IonicContact OD2-NH2 2.79Å; D52-R85 PolarHBondContact OD2-NH2 2.86Å; D52-Q146 VanDerWaalsContact CG-NE2 3.35Å; D52-Q146 PolarHBondContact OD1-NE2 2.9Å; D52-Q146 PolarHBondContact OD2-NE2 3.09Å; D52-W147 HydrophobicContact CB-CH2 4.36Å; D52-K177 PolarHBondContact O-NZ 3.15Å; D52-K177 VanDerWaalsContact O-NZ 3.13Å; D52-K177 WeakPolarHBondContact OD1-CE 3.41Å; D52-K177 IonicContact OD1-NZ 2.79Å; D52-K177 PolarHBondContact OD1-NZ 3.09Å; D52-F221 HydrophobicContact CB-CE1 4.33Å; D52-F221 HydrophobicContact CB-CZ 3.94Å
53	I	98.6	Very high	96.2	Very high	10 Å²	10	47 Å²	47	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-38.6	-178.2	-68.8	-68.4	0	0	0	111.3	S49 S56 K57 I86 R89 L90	S49-I53 WeakPolarHBondContact O-CB 3.3Å; S49-I53 WeakPolarHBondContact O-CG1 2.94Å; S49-I53 PolarHBondContact O-N 3.36Å; I53-S56 PolarHBondContact O-N 2.99Å; I53-K57 HydrophobicContact CG2-CD 4.14Å; I53-K57 HydrophobicContact CG2-CG 4.45Å; I53-K57 WeakPolarHBondContact O-CB 3.49Å; I53-K57 WeakPolarHBondContact O-CG 3.3Å; I53-K57 PolarHBondContact O-N 2.84Å; I53-I86 HydrophobicContact CD1-CD1 3.56Å; I53-R89 HydrophobicContact CD1-CB 3.77Å; I53-R89 HydrophobicContact CG1-CB 3.94Å; I53-R89 HydrophobicContact CG2-CB 4.03Å; I53-L90 HydrophobicContact CD1-CB 4.01Å
54	S	98.1	Very high	96.4	Very high	74 Å²	74	45.3 Å²	45.3	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-42.9	180	-61.8	0	0	0	0	111.6	S50 I51 D52 K57 A58	S50-S54 WeakPolarHBondContact O-CB 3.34Å; S50-S54 PolarHBondContact O-N 2.94Å; S50-S54 PolarHBondContact O-OG 3.34Å; I51-S54 PolarHBondContact O-N 2.85Å; D52-S54 VanDerWaalsContact C-N 3.28Å; D52-S54 PolarHBondContact O-N 3.19Å; S54-K57 PolarHBondContact O-N 3.38Å; S54-A58 PolarHBondContact O-N 2.75Å
55	G	98.4	Very high	96.4	Very high	22 Å²	22	44.2 Å²	44.2	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-48.8	172	0	0	0	0	0	111.7	I51 D52 K57 A58 F59	I51-G55 PolarHBondContact O-N 2.96Å; D52-G55 PolarHBondContact O-N 3Å; G55-K57 VanDerWaalsContact C-N 3.34Å; G55-K57 PolarHBondContact O-N 2.77Å; G55-A58 PolarHBondContact O-N 2.92Å; G55-A58 VanDerWaalsContact O-N 3.16Å; G55-F59 WeakPolarHBondContact O-CB 3.47Å; G55-F59 PolarHBondContact O-N 2.83Å
56	S	98.8	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-38	178.8	-58.7	0	0	0	0	112.9	D52 I53 F59 L60 W144 K177	D52-S56 PolarHBondContact O-N 2.93Å; D52-S56 PolarHBondContact O-OG 3.39Å; D52-S56 VanDerWaalsContact O-OG 3.07Å; I53-S56 PolarHBondContact O-N 2.99Å; S56-F59 PolarHBondContact O-N 2.79Å; S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 2.94Å; S56-W144 WeakPolarHBondContact OG-CZ2 3.16Å; S56-K177 WeakPolarHBondContact OG-CD 3.49Å; S56-K177 PolarHBondContact OG-NZ 3Å
57	K	98.3	Very high	96.1	Very high	68 Å²	68	49.6 Å²	49.6	30%	0.296	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-45	173.3	-78.1	176.7	-177.9	174	0	112.1	I53 S54 G55 F59 L60 R61 R89 L90	I53-K57 HydrophobicContact CG2-CD 4.14Å; I53-K57 HydrophobicContact CG2-CG 4.45Å; I53-K57 WeakPolarHBondContact O-CB 3.49Å; I53-K57 WeakPolarHBondContact O-CG 3.3Å; I53-K57 PolarHBondContact O-N 2.84Å; S54-K57 PolarHBondContact O-N 3.38Å; G55-K57 VanDerWaalsContact C-N 3.34Å; G55-K57 PolarHBondContact O-N 2.77Å; K57-F59 VanDerWaalsContact C-N 3.29Å; K57-F59 PolarHBondContact O-N 2.79Å; K57-L60 PolarHBondContact O-N 3.41Å; K57-R61 VanDerWaalsContact O-CG 3.3Å; K57-R61 WeakPolarHBondContact O-CG 3.3Å; K57-R61 PolarHBondContact O-N 3.16Å; K57-R89 WeakPolarHBondContact CE-O 3.29Å; K57-R89 PolarHBondContact NZ-O 3.15Å; K57-L90 HydrophobicContact CB-CD1 4.3Å; K57-L90 HydrophobicContact CG-CD1 3.48Å; K57-L90 VanDerWaalsContact CG-CD1 3.48Å
58	A	98.3	Very high	95.9	Very high	47 Å²	47	54.6 Å²	54.6	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-37.2	177.8	0	0	0	0	0	111.7	S54 G55 K62	S54-A58 PolarHBondContact O-N 2.75Å; G55-A58 PolarHBondContact O-N 2.92Å; G55-A58 VanDerWaalsContact O-N 3.16Å; A58-K62 PolarHBondContact O-NZ 3.47Å
59	F	98.6	Very high	95.6	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-54.6	173.8	-171.2	-86.9	0	0	0	111.8	G55 S56 K57 R61 K62 F63 V175 H214 E216 T230 A232	G55-F59 WeakPolarHBondContact O-CB 3.47Å; G55-F59 PolarHBondContact O-N 2.83Å; S56-F59 PolarHBondContact O-N 2.79Å; K57-F59 VanDerWaalsContact C-N 3.29Å; K57-F59 PolarHBondContact O-N 2.79Å; F59-R61 VanDerWaalsContact C-N 3.31Å; F59-R61 PolarHBondContact O-N 2.78Å; F59-K62 WeakPolarHBondContact O-CB 3.4Å; F59-K62 WeakPolarHBondContact O-CG 3.36Å; F59-K62 PolarHBondContact O-N 2.98Å; F59-F63 HydrophobicContact CD1-CD2 4.41Å; F59-F63 HydrophobicContact CD1-CE2 4.02Å; F59-F63 HydrophobicContact CE1-CD2 4.26Å; F59-F63 AromaticContact CE1-CE2 3.65Å; F59-F63 HydrophobicContact CE1-CE2 3.65Å; F59-F63 HydrophobicContact CE1-CZ 4.49Å; F59-F63 HydrophobicContact CZ-CE2 4.01Å; F59-F63 HydrophobicContact CZ-CZ 4.5Å; F59-F63 WeakPolarHBondContact O-CD2 3.42Å; F59-V175 HydrophobicContact CE1-CG1 4.07Å; F59-V175 HydrophobicContact CE1-CG2 4.21Å; F59-H214 AromaticContact CE2-CD2 3.58Å; F59-E216 HydrophobicContact CD2-CB 4.1Å; F59-E216 HydrophobicContact CD2-CG 3.97Å; F59-E216 WeakPolarHBondContact CD2-OE2 3.36Å; F59-E216 HydrophobicContact CE2-CB 4.19Å; F59-E216 HydrophobicContact CE2-CG 4.01Å; F59-T230 HydrophobicContact CD1-CG2 3.76Å; F59-T230 HydrophobicContact CD2-CG2 3.69Å; F59-T230 HydrophobicContact CE1-CG2 3.7Å; F59-T230 HydrophobicContact CE2-CG2 3.62Å; F59-T230 WeakPolarHBondContact CE2-O 3.47Å; F59-T230 HydrophobicContact CG-CG2 3.77Å; F59-T230 HydrophobicContact CZ-CG2 3.63Å; F59-A232 HydrophobicContact CE1-CB 3.86Å; F59-A232 HydrophobicContact CZ-CB 3.67Å
60	L	98.3	Very high	95.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-31.2	-176.2	-72.7	-175.1	0	0	0	114.1	S56 K57 K62 F63 L64 L90 L94 I142 W144 V175	S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 2.94Å; K57-L60 PolarHBondContact O-N 3.41Å; L60-K62 PolarHBondContact O-N 2.89Å; L60-F63 PolarHBondContact O-N 2.98Å; L60-L64 HydrophobicContact CB-CD1 4.03Å; L60-L64 HydrophobicContact CB-CG 4.33Å; L60-L64 WeakPolarHBondContact O-CG 3.16Å; L60-L64 PolarHBondContact O-N 3.4Å; L60-L90 HydrophobicContact CD1-CD1 3.98Å; L60-L90 HydrophobicContact CD1-CD2 4.13Å; L60-L90 HydrophobicContact CD1-CG 4.08Å; L60-L94 HydrophobicContact CB-CD1 4.42Å; L60-L94 HydrophobicContact CD1-CD1 3.79Å; L60-I142 HydrophobicContact CD1-CD1 4.25Å; L60-I142 HydrophobicContact CD2-CD1 3.25Å; L60-I142 HydrophobicContact CG-CD1 4.41Å; L60-W144 HydrophobicContact CD1-CE3 4.27Å; L60-W144 HydrophobicContact CD1-CZ3 3.98Å; L60-W144 HydrophobicContact CD2-CE3 4.22Å; L60-W144 HydrophobicContact CD2-CZ3 3.72Å; L60-W144 HydrophobicContact CG-CZ3 3.83Å; L60-V175 HydrophobicContact CD2-CG2 4.22Å
61	R	96.6	Very high	95.7	Very high	185 Å²	185	55.7 Å²	55.7	70%	0.698	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.4	176.9	-79.1	171	179.5	163.1	-1.4	113.8	K57 F59 F63	K57-R61 VanDerWaalsContact O-CG 3.3Å; K57-R61 WeakPolarHBondContact O-CG 3.3Å; K57-R61 PolarHBondContact O-N 3.16Å; F59-R61 VanDerWaalsContact C-N 3.31Å; F59-R61 PolarHBondContact O-N 2.78Å; R61-F63 VanDerWaalsContact C-N 3.32Å
62	K	97	Very high	95.7	Very high	82 Å²	82	54 Å²	54	36%	0.357	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.4	177.2	-57.2	-176.4	-179.3	86.8	0	112.2	A58 F59 L60 K70 E216	A58-K62 PolarHBondContact O-NZ 3.47Å; F59-K62 WeakPolarHBondContact O-CB 3.4Å; F59-K62 WeakPolarHBondContact O-CG 3.36Å; F59-K62 PolarHBondContact O-N 2.98Å; L60-K62 PolarHBondContact O-N 2.89Å; K62-K70 PolarHBondContact O-NZ 3.37Å; K62-E216 WeakPolarHBondContact CE-OE1 3.4Å; K62-E216 IonicContact NZ-OE1 3.33Å; K62-E216 PolarHBondContact NZ-OE1 3.4Å; K62-E216 IonicContact NZ-OE2 2.72Å; K62-E216 PolarHBondContact NZ-OE2 3.41Å
63	F	97.6	Very high	95.6	Very high	20 Å²	20	59.2 Å²	59.2	9%	0.088	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-36.1	-171.8	-55.8	-79.7	0	0	0	113.3	F59 L60 R61 K70 T71 L173 V213 H214 A232	F59-F63 HydrophobicContact CD1-CD2 4.41Å; F59-F63 HydrophobicContact CD1-CE2 4.02Å; F59-F63 HydrophobicContact CE1-CD2 4.26Å; F59-F63 AromaticContact CE1-CE2 3.65Å; F59-F63 HydrophobicContact CE1-CE2 3.65Å; F59-F63 HydrophobicContact CE1-CZ 4.49Å; F59-F63 HydrophobicContact CZ-CE2 4.01Å; F59-F63 HydrophobicContact CZ-CZ 4.5Å; F59-F63 WeakPolarHBondContact O-CD2 3.42Å; L60-F63 PolarHBondContact O-N 2.98Å; R61-F63 VanDerWaalsContact C-N 3.32Å; F63-K70 WeakPolarHBondContact O-CA 3.31Å; F63-K70 VanDerWaalsContact O-CD 3.28Å; F63-K70 WeakPolarHBondContact O-CD 3.29Å; F63-T71 PolarHBondContact O-N 3.49Å; F63-L173 HydrophobicContact CB-CD2 4.04Å; F63-L173 HydrophobicContact CD1-CD2 4.17Å; F63-L173 HydrophobicContact CD2-CD2 3.97Å; F63-L173 HydrophobicContact CG-CD2 3.76Å; F63-V213 HydrophobicContact CE1-CG2 4.27Å; F63-H214 HydrophobicContact CE1-CB 4.16Å; F63-H214 HydrophobicContact CE2-CB 4.45Å; F63-H214 HydrophobicContact CZ-CB 3.46Å; F63-H214 VanDerWaalsContact CZ-CB 3.46Å; F63-H214 AromaticContact CZ-CG 3.88Å; F63-A232 HydrophobicContact CE1-CB 4.09Å; F63-A232 HydrophobicContact CE2-CB 4.08Å; F63-A232 HydrophobicContact CZ-CB 3.73Å
64	L	96.6	Very high	95.6	Very high	17 Å²	17	59.6 Å²	59.6	9%	0.089	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-78	137.6	-175.8	-57.3	-177.5	0	0	0	111.6	L60 T71 L94 F95	L60-L64 HydrophobicContact CB-CD1 4.03Å; L60-L64 HydrophobicContact CB-CG 4.33Å; L60-L64 WeakPolarHBondContact O-CG 3.16Å; L60-L64 PolarHBondContact O-N 3.4Å; L64-T71 HydrophobicContact CD2-CG2 3.92Å; L64-L94 HydrophobicContact CD1-CB 4.31Å; L64-L94 HydrophobicContact CD1-CD1 4.11Å; L64-F95 HydrophobicContact CD1-CE2 4.26Å; L64-F95 HydrophobicContact CD1-CZ 4Å; L64-F95 HydrophobicContact CD2-CE1 4.18Å; L64-F95 HydrophobicContact CD2-CZ 3.77Å
65	G	91.2	Very high	95.6	Very high	22 Å²	22	58.3 Å²	58.3	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	156.5	-170.6	175.9	0	0	0	0	0	112.7	K70 T71	G65-K70 VanDerWaalsContact O-CB 3.23Å; G65-K70 WeakPolarHBondContact O-CB 3.5Å; G65-T71 PolarHBondContact N-O 2.95Å
66	D	87	Confident	95.7	Very high	167 Å²	167	57.2 Å²	57.2	89%	0.893	31%	0.312	S	S	*	.	S	Bend	trans	-99.6	147.7	174.3	-54.6	-47.8	0	0	0	109.8
67	G	88.1	Confident	95.7	Very high	60 Å²	60	57.2 Å²	57.2	62%	0.619	31%	0.312	S	S	*	.	S	Bend	trans	114	175	178.3	0	0	0	0	0	114.2	G69 K70	G67-G69 PolarHBondContact O-N 2.89Å; G67-K70 WeakPolarHBondContact O-CB 3.41Å; G67-K70 PolarHBondContact O-N 2.97Å
68	E	88.9	Confident	95.7	Very high	204 Å²	204	54.1 Å²	54.1	95%	0.953	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	131.1	-175.4	-168.4	174.9	-172	0	0	111.6	K70	E68-K70 PolarHBondContact O-N 3.05Å
69	G	88.8	Confident	95.7	Very high	44 Å²	44	51.9 Å²	51.9	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	0.9	179.2	0	0	0	0	0	115.8	G67 R234	G67-G69 PolarHBondContact O-N 2.89Å; G69-R234 PolarHBondContact O-NH2 3.41Å
70	K	96.3	Very high	95.7	Very high	86 Å²	86	53 Å²	53	37%	0.374	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-82	141.7	173.8	-65.4	-65.8	-178.6	176.7	0	111.5	K62 F63 G65 G67 E68 A171	K62-K70 PolarHBondContact O-NZ 3.37Å; F63-K70 WeakPolarHBondContact O-CA 3.31Å; F63-K70 VanDerWaalsContact O-CD 3.28Å; F63-K70 WeakPolarHBondContact O-CD 3.29Å; G65-K70 VanDerWaalsContact O-CB 3.23Å; G65-K70 WeakPolarHBondContact O-CB 3.5Å; G67-K70 WeakPolarHBondContact O-CB 3.41Å; G67-K70 PolarHBondContact O-N 2.97Å; E68-K70 PolarHBondContact O-N 3.05Å; K70-A171 WeakPolarHBondContact O-CB 3.2Å
71	T	97.6	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-83	133.7	-179.6	-61.4	0	0	0	0	110	F63 L64 G65 D141 A171 L173 R234	F63-T71 PolarHBondContact O-N 3.49Å; L64-T71 HydrophobicContact CD2-CG2 3.92Å; G65-T71 PolarHBondContact N-O 2.95Å; T71-D141 HydrophobicContact CG2-CB 4.22Å; T71-D141 WeakPolarHBondContact CG2-O 3.39Å; T71-A171 WeakPolarHBondContact CB-O 3.33Å; T71-A171 PolarHBondContact OG1-O 3.11Å; T71-L173 HydrophobicContact CG2-CB 4.32Å; T71-R234 PolarHBondContact OG1-NH2 3.34Å
72	G	97.3	Very high	95.8	Very high	26 Å²	26	44.7 Å²	44.7	27%	0.268	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-64.5	172.3	178.8	0	0	0	0	0	113.7	F95 D141	G72-F95 WeakPolarHBondContact O-CE1 3.32Å; G72-D141 WeakPolarHBondContact O-CB 3.46Å
73	K	97.6	Very high	95.9	Very high	108 Å²	108	40.8 Å²	40.8	47%	0.47	25%	0.246	S	C	.	.	S	Bend	trans	-123.3	23.9	-178.6	-67	179.2	-175.9	170.7	0	112.7	L94 F95 R96	K73-L94 WeakPolarHBondContact CB-O 3.33Å; K73-F95 HydrophobicContact CB-CD1 4.49Å; K73-F95 WeakPolarHBondContact O-CA 3.03Å; K73-R96 PolarHBondContact O-N 3.28Å
74	G	98.1	Very high	96	Very high	19 Å²	19	39.9 Å²	39.9	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-76.3	-61.4	-176.7	0	0	0	0	0	112.5	R96 T97 D141	G74-R96 WeakPolarHBondContact O-CB 3.28Å; G74-R96 PolarHBondContact O-N 3.02Å; G74-T97 PolarHBondContact O-N 3.06Å; G74-D141 WeakPolarHBondContact CA-OD2 3.27Å; G74-D141 PolarHBondContact N-OD2 3.17Å
75	R	98.8	Very high	96.1	Very high	46 Å²	46	39.6 Å²	39.6	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.3	-174.2	-160.6	170	-165	158.9	8.8	113	T97 D99 N124 R139 Y140 D141 I142	R75-T97 CarbonylContact C-O 3.47Å; R75-T97 VanDerWaalsContact CA-O 3.27Å; R75-T97 WeakPolarHBondContact CA-O 3.46Å; R75-T97 HydrophobicContact CG-CG2 4.16Å; R75-D99 IonicContact CZ-OD1 2.72Å; R75-D99 IonicContact CZ-OD2 3.36Å; R75-D99 VanDerWaalsContact CZ-OD2 3.25Å; R75-D99 IonicContact NE-OD1 2.75Å; R75-D99 PolarHBondContact NE-OD1 2.82Å; R75-D99 IonicContact NE-OD2 3.79Å; R75-D99 PolarHBondContact NE-OD2 2.95Å; R75-D99 IonicContact NH2-OD1 3.99Å; R75-D99 PolarHBondContact NH2-OD1 2.9Å; R75-D99 IonicContact NH2-OD2 3.16Å; R75-D99 PolarHBondContact NH2-OD2 3.04Å; R75-D99 VanDerWaalsContact NH2-OD2 3.17Å; R75-N124 PolarHBondContact NH2-ND2 2.81Å; R75-R139 VanDerWaalsContact NH1-CZ 3.29Å; R75-Y140 HydrophobicContact CB-CD1 4.41Å; R75-Y140 HydrophobicContact CG-CD1 3.94Å; R75-Y140 HydrophobicContact CG-CE1 4.04Å; R75-D141 PolarHBondContact N-OD2 2.94Å; R75-D141 PolarHBondContact O-N 2.85Å; R75-I142 PolarHBondContact O-N 3.28Å
76	A	98.9	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	153.5	171.6	0	0	0	0	0	111.4	L91 F95 T97 V98 D99 I142	A76-L91 HydrophobicContact CB-CB 4.25Å; A76-L91 HydrophobicContact CB-CD1 4.22Å; A76-L91 HydrophobicContact CB-CD2 4.23Å; A76-L91 HydrophobicContact CB-CG 4.46Å; A76-F95 HydrophobicContact CB-CB 4.15Å; A76-F95 HydrophobicContact CB-CD1 4.14Å; A76-F95 HydrophobicContact CB-CD2 3.86Å; A76-F95 HydrophobicContact CB-CE2 4.33Å; A76-F95 HydrophobicContact CB-CG 3.78Å; A76-T97 PolarHBondContact N-O 3.48Å; A76-V98 HydrophobicContact CB-CG1 4.36Å; A76-V98 HydrophobicContact CB-CG2 4.21Å; A76-V98 CarbonylContact O-C 3.58Å; A76-V98 WeakPolarHBondContact O-CA 3.41Å; A76-D99 PolarHBondContact O-N 3.01Å; A76-I142 CarbonylContact C-O 3.57Å; A76-I142 VanDerWaalsContact CA-O 3.31Å; A76-I142 WeakPolarHBondContact CA-O 3.47Å; A76-I142 HydrophobicContact CB-CG2 3.37Å
77	L	98.9	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.2	163.7	179.5	64.2	0	0	0	108.8	C79 D99 V101 F133 P135 Y140 I142 I143 W144	L77-C79 VanDerWaalsContact CD2-SG 3.57Å; L77-D99 CarbonylContact C-O 3.38Å; L77-D99 WeakPolarHBondContact CA-O 3.43Å; L77-D99 HydrophobicContact CD1-CB 3.86Å; L77-V101 HydrophobicContact CD1-CB 4.49Å; L77-V101 HydrophobicContact CD1-CG1 4Å; L77-V101 HydrophobicContact CG-CG1 4.41Å; L77-F133 HydrophobicContact CD1-CE1 4.35Å; L77-F133 HydrophobicContact CD1-CZ 4.5Å; L77-F133 HydrophobicContact CD2-CE1 3.79Å; L77-P135 HydrophobicContact CD2-CB 4.28Å; L77-Y140 HydrophobicContact CB-CD1 3.69Å; L77-Y140 HydrophobicContact CB-CD2 4.29Å; L77-Y140 HydrophobicContact CB-CE1 3.66Å; L77-Y140 HydrophobicContact CB-CE2 4.27Å; L77-Y140 HydrophobicContact CB-CG 4.01Å; L77-Y140 HydrophobicContact CD1-CE1 4.33Å; L77-Y140 HydrophobicContact CD2-CD2 4.43Å; L77-Y140 HydrophobicContact CD2-CE2 4.08Å; L77-Y140 HydrophobicContact CG-CE1 4.45Å; L77-I142 PolarHBondContact N-O 3.06Å; L77-I143 HydrophobicContact CB-CG1 4.19Å; L77-I143 HydrophobicContact CB-CG2 4.4Å; L77-I143 HydrophobicContact CD2-CG1 4.35Å; L77-I143 HydrophobicContact CD2-CG2 4.03Å; L77-I143 HydrophobicContact CG-CG2 4.49Å; L77-W144 PolarHBondContact O-N 2.72Å
78	D	98.9	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.8	172.1	-160.2	1.7	0	0	0	108.3	A81 S87 L91 V98 D99 L100 V101	D78-A81 HydrophobicContact CB-CB 3.91Å; D78-S87 WeakPolarHBondContact CB-OG 3.48Å; D78-S87 WeakPolarHBondContact OD2-CB 3.46Å; D78-S87 PolarHBondContact OD2-N 2.89Å; D78-S87 PolarHBondContact OD2-OG 3.25Å; D78-L91 HydrophobicContact CB-CD1 3.68Å; D78-V98 HydrophobicContact CB-CG1 4.36Å; D78-D99 PolarHBondContact N-O 3.4Å; D78-L100 HydrophobicContact CB-CG 4.34Å; D78-V101 PolarHBondContact O-N 3.15Å
79	C	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.6	-176.3	-62.1	0	0	0	0	111.3	L77 A81 V101 L130 W144 I145 F160	L77-C79 VanDerWaalsContact CD2-SG 3.57Å; C79-A81 VanDerWaalsContact C-N 3.32Å; C79-V101 HydrophobicContact CB-CG1 4.07Å; C79-L130 HydrophobicContact CB-CD1 4.06Å; C79-L130 HydrophobicContact CB-CD2 4.02Å; C79-W144 WeakPolarHBondContact CB-O 3.47Å; C79-W144 PolarHBondContact N-O 3.33Å; C79-I145 HydrophobicContact CB-CB 4.44Å; C79-I145 HydrophobicContact CB-CG1 4.05Å; C79-I145 HydrophobicContact CB-CG2 4.44Å; C79-F160 HydrophobicContact CB-CZ 4.46Å
80	G	98.7	Very high	98.5	Very high	25 Å²	25	26.3 Å²	26.3	26%	0.258	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	42.3	-166.4	0	0	0	0	0	109.9	G82 V101 D102	G80-G82 PolarHBondContact O-N 3.47Å; G80-V101 PolarHBondContact N-O 3.42Å; G80-D102 WeakPolarHBondContact CA-OD2 3.44Å
81	A	98.8	Very high	98.6	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	11%	0.113	C	C	.	.			trans	-66.7	-22.4	-166.7	0	0	0	0	0	113.3	D78 C79 I83 G84 L100 V101 D102	D78-A81 HydrophobicContact CB-CB 3.91Å; C79-A81 VanDerWaalsContact C-N 3.32Å; A81-I83 PolarHBondContact O-N 3.34Å; A81-G84 WeakPolarHBondContact O-CA 3.39Å; A81-G84 PolarHBondContact O-N 2.91Å; A81-L100 HydrophobicContact CB-CB 3.79Å; A81-L100 HydrophobicContact CB-CD2 3.79Å; A81-L100 HydrophobicContact CB-CG 3.69Å; A81-V101 PolarHBondContact N-O 3.12Å; A81-V101 VanDerWaalsContact N-O 3.16Å; A81-D102 PolarHBondContact N-OD2 3.35Å; A81-D102 VanDerWaalsContact N-OD2 3.12Å
82	G	98.7	Very high	98.6	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-129.6	-168.5	0	0	0	0	0	110.7	G80 G84 D102	G80-G82 PolarHBondContact O-N 3.47Å; G82-G84 PolarHBondContact O-N 3.3Å; G82-G84 VanDerWaalsContact O-N 3.09Å; G82-D102 WeakPolarHBondContact CA-OD2 3.39Å; G82-D102 PolarHBondContact N-OD2 2.89Å
83	I	98.7	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	5.2	178	71.8	171.6	0	0	0	114.1	P36 V38 M41 A81 F107 K110 A111 F114	P36-I83 HydrophobicContact CB-CG2 3.98Å; V38-I83 HydrophobicContact CG2-CD1 4.28Å; M41-I83 HydrophobicContact CE-CG2 4.48Å; M41-I83 HydrophobicContact CG-CD1 4.27Å; M41-I83 HydrophobicContact CG-CG1 3.87Å; M41-I83 HydrophobicContact SD-CG1 4.3Å; M41-I83 HydrophobicContact SD-CG2 4.07Å; A81-I83 PolarHBondContact O-N 3.34Å; I83-F107 HydrophobicContact CG2-CB 4.25Å; I83-F107 HydrophobicContact CG2-CD1 4.17Å; I83-F107 HydrophobicContact CG2-CG 4.38Å; I83-K110 HydrophobicContact CB-CB 4.42Å; I83-K110 HydrophobicContact CB-CG 4.1Å; I83-K110 HydrophobicContact CG2-CB 3.92Å; I83-K110 HydrophobicContact CG2-CG 3.75Å; I83-A111 VanDerWaalsContact O-CA 3.3Å; I83-A111 WeakPolarHBondContact O-CA 3.38Å; I83-A111 VanDerWaalsContact O-CB 3.32Å; I83-A111 WeakPolarHBondContact O-CB 3.35Å; I83-F114 HydrophobicContact CD1-CD1 4.35Å; I83-F114 HydrophobicContact CD1-CD2 4.06Å; I83-F114 HydrophobicContact CD1-CE1 4.37Å; I83-F114 HydrophobicContact CD1-CE2 4.1Å; I83-F114 HydrophobicContact CD1-CG 4.18Å; I83-F114 HydrophobicContact CD1-CZ 4.24Å; I83-F114 HydrophobicContact CG1-CD1 4.25Å; I83-F114 HydrophobicContact CG1-CE1 4.38Å; I83-F114 HydrophobicContact CG1-CG 4.45Å; I83-F114 WeakPolarHBondContact O-CD1 3.34Å
84	G	98.7	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	35.1	-179.4	0	0	0	0	0	114	A81 G82 S87 K88	A81-G84 WeakPolarHBondContact O-CA 3.39Å; A81-G84 PolarHBondContact O-N 2.91Å; G82-G84 PolarHBondContact O-N 3.3Å; G82-G84 VanDerWaalsContact O-N 3.09Å; G84-S87 PolarHBondContact O-N 2.96Å; G84-K88 VanDerWaalsContact O-CB 3.28Å; G84-K88 WeakPolarHBondContact O-CB 3.24Å; G84-K88 PolarHBondContact O-N 2.99Å
85	R	98.8	Very high	98.7	Very high	12 Å²	12	21.1 Å²	21.1	5%	0.045	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-48.4	178.1	-174.7	-168.2	68.8	78.9	1.5	111.8	S49 D52 R89	S49-R85 PolarHBondContact OG-NH1 3.48Å; D52-R85 IonicContact OD2-CZ 2.84Å; D52-R85 IonicContact OD2-NH1 3.9Å; D52-R85 PolarHBondContact OD2-NH1 3.36Å; D52-R85 IonicContact OD2-NH2 2.79Å; D52-R85 PolarHBondContact OD2-NH2 2.86Å; R85-R89 PolarHBondContact O-N 3.31Å
86	I	98.9	Very high	98.7	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-68.3	-51.4	176.8	-67.2	-54.6	0	0	0	109.9	I53 K88 R89 L90 L91 W144 Q146	I53-I86 HydrophobicContact CD1-CD1 3.56Å; I86-K88 VanDerWaalsContact C-N 3.28Å; I86-K88 PolarHBondContact O-N 3.25Å; I86-R89 PolarHBondContact O-N 3.04Å; I86-L90 HydrophobicContact CG2-CB 4.2Å; I86-L90 HydrophobicContact CG2-CD2 3.89Å; I86-L90 WeakPolarHBondContact O-CA 3.34Å; I86-L90 WeakPolarHBondContact O-CB 3.47Å; I86-L90 PolarHBondContact O-N 2.87Å; I86-L91 HydrophobicContact CG2-CD1 3.89Å; I86-L91 HydrophobicContact CG2-CG 3.89Å; I86-L91 PolarHBondContact O-N 2.87Å; I86-W144 VanDerWaalsContact CG2-CD1 3.43Å; I86-W144 HydrophobicContact CG2-CG 4.08Å; I86-Q146 VanDerWaalsContact CD1-OE1 3.23Å
87	S	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-44.3	-52.4	172.6	-74.9	0	0	0	0	112.7	D78 G84 L91 L92 L100	D78-S87 WeakPolarHBondContact CB-OG 3.48Å; D78-S87 WeakPolarHBondContact OD2-CB 3.46Å; D78-S87 PolarHBondContact OD2-N 2.89Å; D78-S87 PolarHBondContact OD2-OG 3.25Å; G84-S87 PolarHBondContact O-N 2.96Å; S87-L91 PolarHBondContact O-N 2.85Å; S87-L92 VanDerWaalsContact O-CB 3.24Å; S87-L92 WeakPolarHBondContact O-CB 3.36Å; S87-L92 WeakPolarHBondContact O-CD1 3.34Å; S87-L92 WeakPolarHBondContact O-CG 3.42Å; S87-L92 PolarHBondContact O-N 2.93Å; S87-L100 WeakPolarHBondContact OG-CD1 3.34Å
88	K	98.7	Very high	98.7	Very high	57 Å²	57	29.3 Å²	29.3	25%	0.248	14%	0.14	C	C	.	.	I	π-helix	trans	-62	-47.8	-177.1	-169.6	161.1	-177.1	155.7	0	113.8	G84 I86 F114 L115	G84-K88 VanDerWaalsContact O-CB 3.28Å; G84-K88 WeakPolarHBondContact O-CB 3.24Å; G84-K88 PolarHBondContact O-N 2.99Å; I86-K88 VanDerWaalsContact C-N 3.28Å; I86-K88 PolarHBondContact O-N 3.25Å; K88-F114 HydrophobicContact CB-CE1 3.94Å; K88-F114 HydrophobicContact CD-CD1 3.93Å; K88-F114 HydrophobicContact CD-CE1 3.53Å; K88-F114 HydrophobicContact CD-CZ 3.89Å; K88-F114 WeakPolarHBondContact CD-O 3.28Å; K88-F114 HydrophobicContact CG-CE1 4.33Å; K88-F114 PolarHBondContact NZ-O 3.06Å; K88-L115 HydrophobicContact CB-CD2 3.7Å; K88-L115 HydrophobicContact CG-CD2 4.36Å
89	R	98.6	Very high	98.7	Very high	152 Å²	152	29.2 Å²	29.2	57%	0.574	14%	0.139	S	C	*	.	I	π-helix	trans	-104.3	-16.8	-164.1	-64.5	-64.5	-166.4	172	4	113.6	I53 K57 R85 I86	I53-R89 HydrophobicContact CD1-CB 3.77Å; I53-R89 HydrophobicContact CG1-CB 3.94Å; I53-R89 HydrophobicContact CG2-CB 4.03Å; K57-R89 WeakPolarHBondContact CE-O 3.29Å; K57-R89 PolarHBondContact NZ-O 3.15Å; R85-R89 PolarHBondContact O-N 3.31Å; I86-R89 PolarHBondContact O-N 3.04Å
90	L	98.8	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-117.7	-60.3	-179.4	-178.1	67.4	0	0	0	112.2	I53 K57 L60 I86 P93 L94 W144	I53-L90 HydrophobicContact CD1-CB 4.01Å; K57-L90 HydrophobicContact CB-CD1 4.3Å; K57-L90 HydrophobicContact CG-CD1 3.48Å; K57-L90 VanDerWaalsContact CG-CD1 3.48Å; L60-L90 HydrophobicContact CD1-CD1 3.98Å; L60-L90 HydrophobicContact CD1-CD2 4.13Å; L60-L90 HydrophobicContact CD1-CG 4.08Å; I86-L90 HydrophobicContact CG2-CB 4.2Å; I86-L90 HydrophobicContact CG2-CD2 3.89Å; I86-L90 WeakPolarHBondContact O-CA 3.34Å; I86-L90 WeakPolarHBondContact O-CB 3.47Å; I86-L90 PolarHBondContact O-N 2.87Å; L90-P93 WeakPolarHBondContact O-CD 3.29Å; L90-L94 HydrophobicContact CD1-CD1 3.98Å; L90-L94 HydrophobicContact CG-CD1 4.48Å; L90-L94 WeakPolarHBondContact O-CD1 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L90-W144 HydrophobicContact CD2-CD2 4.08Å; L90-W144 HydrophobicContact CD2-CE3 4.19Å; L90-W144 HydrophobicContact CD2-CH2 3.93Å; L90-W144 HydrophobicContact CD2-CZ2 3.77Å; L90-W144 HydrophobicContact CD2-CZ3 4.12Å
91	L	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-80.2	-49.3	-165.7	-55.4	173.5	0	0	0	113.1	A76 D78 I86 S87 P93 L94 F95 V98 I142 W144	A76-L91 HydrophobicContact CB-CB 4.25Å; A76-L91 HydrophobicContact CB-CD1 4.22Å; A76-L91 HydrophobicContact CB-CD2 4.23Å; A76-L91 HydrophobicContact CB-CG 4.46Å; D78-L91 HydrophobicContact CB-CD1 3.68Å; I86-L91 HydrophobicContact CG2-CD1 3.89Å; I86-L91 HydrophobicContact CG2-CG 3.89Å; I86-L91 PolarHBondContact O-N 2.87Å; S87-L91 PolarHBondContact O-N 2.85Å; L91-P93 VanDerWaalsContact C-N 3.3Å; L91-L94 CarbonylContact O-C 3.53Å; L91-L94 PolarHBondContact O-N 2.95Å; L91-F95 HydrophobicContact CB-CD2 4.32Å; L91-F95 HydrophobicContact CD2-CD2 4.25Å; L91-F95 HydrophobicContact CD2-CE2 4.04Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 2.79Å; L91-V98 HydrophobicContact CB-CG1 4.21Å; L91-V98 HydrophobicContact CB-CG2 3.77Å; L91-V98 HydrophobicContact CD1-CG1 4.04Å; L91-I142 HydrophobicContact CD2-CG2 4.37Å; L91-W144 HydrophobicContact CD1-CB 4.22Å; L91-W144 HydrophobicContact CD2-CB 4.29Å; L91-W144 HydrophobicContact CD2-CG 4.48Å
92	L	98.7	Very high	98.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.8	178.9	-74.1	160.5	0	0	0	113.1	S87 L94 V98 L115 D118 R121	S87-L92 VanDerWaalsContact O-CB 3.24Å; S87-L92 WeakPolarHBondContact O-CB 3.36Å; S87-L92 WeakPolarHBondContact O-CD1 3.34Å; S87-L92 WeakPolarHBondContact O-CG 3.42Å; S87-L92 PolarHBondContact O-N 2.93Å; L92-L94 VanDerWaalsContact C-N 3.28Å; L92-L94 PolarHBondContact O-N 3.33Å; L92-V98 HydrophobicContact CD2-CB 4.08Å; L92-V98 HydrophobicContact CD2-CG2 3.67Å; L92-V98 HydrophobicContact CG-CB 4.28Å; L92-V98 HydrophobicContact CG-CG2 3.75Å; L92-L115 HydrophobicContact CD1-CD2 3.78Å; L92-D118 HydrophobicContact CD1-CB 4Å; L92-R121 HydrophobicContact CD2-CB 3.84Å; L92-R121 VanDerWaalsContact O-CZ 3.26Å; L92-R121 PolarHBondContact O-NH1 3.05Å; L92-R121 PolarHBondContact O-NH2 2.94Å
93	P	98.4	Very high	98.7	Very high	76 Å²	76	30.7 Å²	30.7	49%	0.494	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.4	169.5	-27	36.3	0	0	0	115.6	L90 L91	L90-P93 WeakPolarHBondContact O-CD 3.29Å; L91-P93 VanDerWaalsContact C-N 3.3Å
94	L	98.3	Very high	98.6	Very high	48 Å²	48	31 Å²	31	25%	0.251	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-26.9	-172	-66.7	175.9	0	0	0	113.7	L60 L64 K73 L90 L91 L92	L60-L94 HydrophobicContact CB-CD1 4.42Å; L60-L94 HydrophobicContact CD1-CD1 3.79Å; L64-L94 HydrophobicContact CD1-CB 4.31Å; L64-L94 HydrophobicContact CD1-CD1 4.11Å; K73-L94 WeakPolarHBondContact CB-O 3.33Å; L90-L94 HydrophobicContact CD1-CD1 3.98Å; L90-L94 HydrophobicContact CG-CD1 4.48Å; L90-L94 WeakPolarHBondContact O-CD1 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L91-L94 CarbonylContact O-C 3.53Å; L91-L94 PolarHBondContact O-N 2.95Å; L92-L94 VanDerWaalsContact C-N 3.28Å; L92-L94 PolarHBondContact O-N 3.33Å
95	F	98.5	Very high	98.6	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	16%	0.16	C	C	.	.			trans	-121.2	147.7	-173.9	-62.6	-93	0	0	0	111.4	L64 G72 K73 A76 L91 R121 D141 I142	L64-F95 HydrophobicContact CD1-CE2 4.26Å; L64-F95 HydrophobicContact CD1-CZ 4Å; L64-F95 HydrophobicContact CD2-CE1 4.18Å; L64-F95 HydrophobicContact CD2-CZ 3.77Å; G72-F95 WeakPolarHBondContact O-CE1 3.32Å; K73-F95 HydrophobicContact CB-CD1 4.49Å; K73-F95 WeakPolarHBondContact O-CA 3.03Å; A76-F95 HydrophobicContact CB-CB 4.15Å; A76-F95 HydrophobicContact CB-CD1 4.14Å; A76-F95 HydrophobicContact CB-CD2 3.86Å; A76-F95 HydrophobicContact CB-CE2 4.33Å; A76-F95 HydrophobicContact CB-CG 3.78Å; L91-F95 HydrophobicContact CB-CD2 4.32Å; L91-F95 HydrophobicContact CD2-CD2 4.25Å; L91-F95 HydrophobicContact CD2-CE2 4.04Å; L91-F95 WeakPolarHBondContact O-CD2 3.33Å; L91-F95 PolarHBondContact O-N 2.79Å; F95-R121 PolarHBondContact O-NH1 3.06Å; F95-D141 HydrophobicContact CE1-CB 4.21Å; F95-I142 HydrophobicContact CD1-CG2 4.27Å; F95-I142 HydrophobicContact CD2-CG2 4.3Å; F95-I142 HydrophobicContact CE1-CB 4Å; F95-I142 HydrophobicContact CE1-CG2 3.58Å; F95-I142 HydrophobicContact CE2-CG2 3.63Å; F95-I142 HydrophobicContact CZ-CB 3.74Å; F95-I142 HydrophobicContact CZ-CD1 4.16Å; F95-I142 HydrophobicContact CZ-CG2 3.22Å
96	R	98.5	Very high	98.5	Very high	189 Å²	189	38.9 Å²	38.9	71%	0.713	18%	0.181	S	C	*	.	S	Bend	trans	-65.1	-42.3	179.8	-172.7	-179.3	74.2	165.5	2.7	111.9	K73 G74	K73-R96 PolarHBondContact O-N 3.28Å; G74-R96 WeakPolarHBondContact O-CB 3.28Å; G74-R96 PolarHBondContact O-N 3.02Å
97	T	98.9	Very high	98.5	Very high	29 Å²	29	38.8 Å²	38.8	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.6	-179	-57.1	0	0	0	0	110.2	G74 R75 A76 R121	G74-T97 PolarHBondContact O-N 3.06Å; R75-T97 CarbonylContact C-O 3.47Å; R75-T97 VanDerWaalsContact CA-O 3.27Å; R75-T97 WeakPolarHBondContact CA-O 3.46Å; R75-T97 HydrophobicContact CG-CG2 4.16Å; A76-T97 PolarHBondContact N-O 3.48Å; T97-R121 VanDerWaalsContact CA-O 3.31Å; T97-R121 WeakPolarHBondContact CA-O 3.27Å; T97-R121 WeakPolarHBondContact CG2-O 3.38Å
98	V	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.6	173.3	-174.9	0	0	0	0	108.7	A76 D78 L91 L92 L100 R121 V122 G123	A76-V98 HydrophobicContact CB-CG1 4.36Å; A76-V98 HydrophobicContact CB-CG2 4.21Å; A76-V98 CarbonylContact O-C 3.58Å; A76-V98 WeakPolarHBondContact O-CA 3.41Å; D78-V98 HydrophobicContact CB-CG1 4.36Å; L91-V98 HydrophobicContact CB-CG1 4.21Å; L91-V98 HydrophobicContact CB-CG2 3.77Å; L91-V98 HydrophobicContact CD1-CG1 4.04Å; L92-V98 HydrophobicContact CD2-CB 4.08Å; L92-V98 HydrophobicContact CD2-CG2 3.67Å; L92-V98 HydrophobicContact CG-CB 4.28Å; L92-V98 HydrophobicContact CG-CG2 3.75Å; V98-L100 HydrophobicContact CG1-CD1 4.06Å; V98-R121 PolarHBondContact N-O 2.86Å; V98-R121 VanDerWaalsContact N-O 3.15Å; V98-V122 CarbonylContact O-C 3.59Å; V98-V122 WeakPolarHBondContact O-CA 3.43Å; V98-V122 WeakPolarHBondContact O-CG1 3.48Å; V98-G123 PolarHBondContact O-N 2.83Å
99	D	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.2	164.2	-63.3	-28.2	0	0	0	108.8	R75 A76 L77 D78 G123 N124 Y126 R139 Y140	R75-D99 IonicContact CZ-OD1 2.72Å; R75-D99 IonicContact CZ-OD2 3.36Å; R75-D99 VanDerWaalsContact CZ-OD2 3.25Å; R75-D99 IonicContact NE-OD1 2.75Å; R75-D99 PolarHBondContact NE-OD1 2.82Å; R75-D99 IonicContact NE-OD2 3.79Å; R75-D99 PolarHBondContact NE-OD2 2.95Å; R75-D99 IonicContact NH2-OD1 3.99Å; R75-D99 PolarHBondContact NH2-OD1 2.9Å; R75-D99 IonicContact NH2-OD2 3.16Å; R75-D99 PolarHBondContact NH2-OD2 3.04Å; R75-D99 VanDerWaalsContact NH2-OD2 3.17Å; A76-D99 PolarHBondContact O-N 3.01Å; L77-D99 CarbonylContact C-O 3.38Å; L77-D99 WeakPolarHBondContact CA-O 3.43Å; L77-D99 HydrophobicContact CD1-CB 3.86Å; D78-D99 PolarHBondContact N-O 3.4Å; D99-G123 VanDerWaalsContact OD1-CA 3.26Å; D99-G123 WeakPolarHBondContact OD1-CA 3.36Å; D99-N124 WeakPolarHBondContact CA-O 3.41Å; D99-N124 HydrophobicContact CB-CB 4.39Å; D99-N124 PolarHBondContact OD1-N 2.85Å; D99-N124 PolarHBondContact OD1-ND2 2.77Å; D99-Y126 HydrophobicContact CB-CD2 4.47Å; D99-Y126 HydrophobicContact CB-CE2 3.99Å; D99-R139 IonicContact OD2-CZ 2.81Å; D99-R139 IonicContact OD2-NH1 3.06Å; D99-R139 PolarHBondContact OD2-NH1 2.76Å; D99-Y140 HydrophobicContact CB-CE1 4.11Å; D99-Y140 WeakPolarHBondContact OD2-CE1 2.94Å; D99-Y140 PolarHBondContact OD2-OH 2.93Å
100	L	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.3	176	-75.9	73.3	0	0	0	108.5	D78 A81 S87 V98 L108 A111 L115 V122 N124 Y125 Y126	D78-L100 HydrophobicContact CB-CG 4.34Å; A81-L100 HydrophobicContact CB-CB 3.79Å; A81-L100 HydrophobicContact CB-CD2 3.79Å; A81-L100 HydrophobicContact CB-CG 3.69Å; S87-L100 WeakPolarHBondContact OG-CD1 3.34Å; V98-L100 HydrophobicContact CG1-CD1 4.06Å; L100-L108 HydrophobicContact CB-CD2 4.13Å; L100-A111 HydrophobicContact CD2-CB 4Å; L100-L115 HydrophobicContact CD2-CD1 4.41Å; L100-V122 HydrophobicContact CD1-CB 4.49Å; L100-V122 HydrophobicContact CD1-CG1 3.72Å; L100-V122 HydrophobicContact CD1-CG2 3.9Å; L100-N124 PolarHBondContact N-O 2.83Å; L100-Y125 HydrophobicContact CB-CD1 4.4Å; L100-Y125 HydrophobicContact CD2-CD1 4.37Å; L100-Y125 HydrophobicContact CD2-CE1 4.24Å; L100-Y126 WeakPolarHBondContact O-CD2 3.35Å; L100-Y126 PolarHBondContact O-N 3.2Å
101	V	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130	166.2	59.5	0	0	0	0	109.6	L77 D78 C79 G80 A81 Y126 C128 L130 F133	L77-V101 HydrophobicContact CD1-CB 4.49Å; L77-V101 HydrophobicContact CD1-CG1 4Å; L77-V101 HydrophobicContact CG-CG1 4.41Å; D78-V101 PolarHBondContact O-N 3.15Å; C79-V101 HydrophobicContact CB-CG1 4.07Å; G80-V101 PolarHBondContact N-O 3.42Å; A81-V101 PolarHBondContact N-O 3.12Å; A81-V101 VanDerWaalsContact N-O 3.16Å; V101-Y126 VanDerWaalsContact CA-O 3.31Å; V101-Y126 WeakPolarHBondContact CA-O 3.4Å; V101-C128 HydrophobicContact CG2-CB 4.4Å; V101-C128 WeakPolarHBondContact CG2-O 3.48Å; V101-L130 HydrophobicContact CG1-CD2 3.67Å; V101-L130 HydrophobicContact CG2-CD2 4.08Å; V101-F133 HydrophobicContact CB-CD1 4.42Å; V101-F133 HydrophobicContact CB-CE1 4.31Å; V101-F133 HydrophobicContact CB-CZ 4.37Å; V101-F133 HydrophobicContact CG1-CD1 4.15Å; V101-F133 HydrophobicContact CG1-CE1 4.1Å; V101-F133 HydrophobicContact CG2-CB 4.32Å; V101-F133 HydrophobicContact CG2-CD1 4.08Å; V101-F133 HydrophobicContact CG2-CD2 3.9Å; V101-F133 HydrophobicContact CG2-CE1 4.4Å; V101-F133 HydrophobicContact CG2-CE2 4.23Å; V101-F133 HydrophobicContact CG2-CG 3.83Å; V101-F133 HydrophobicContact CG2-CZ 4.47Å
102	D	98.8	Very high	98.4	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.1	178	-156.1	-87.2	0	0	0	110	G80 A81 G82 T104 L108 Y126 C127 C128	G80-D102 WeakPolarHBondContact CA-OD2 3.44Å; A81-D102 PolarHBondContact N-OD2 3.35Å; A81-D102 VanDerWaalsContact N-OD2 3.12Å; G82-D102 WeakPolarHBondContact CA-OD2 3.39Å; G82-D102 PolarHBondContact N-OD2 2.89Å; D102-T104 PolarHBondContact OD1-N 2.69Å; D102-L108 HydrophobicContact CB-CD1 4.36Å; D102-L108 HydrophobicContact CB-CD2 3.74Å; D102-L108 HydrophobicContact CB-CG 4Å; D102-Y126 PolarHBondContact N-O 3.33Å; D102-C127 CarbonylContact O-C 3.58Å; D102-C127 VanDerWaalsContact O-CA 3.24Å; D102-C127 WeakPolarHBondContact O-CA 3.32Å; D102-C128 PolarHBondContact O-N 2.8Å
103	V	97.7	Very high	98.3	Very high	51 Å²	51	47.1 Å²	47.1	31%	0.309	23%	0.229	S	C	.	.	S	Bend	trans	-85.6	-20.5	178.5	72.9	0	0	0	0	112	E28	E28-V103 HydrophobicContact CG-CG1 4.27Å; E28-V103 HydrophobicContact CG-CG2 3.76Å
104	T	97.8	Very high	98.3	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.049	22%	0.216	C	C	.	.			trans	-101.9	109.4	-173.6	-53.9	0	0	0	0	111.3	D102 E106 F107 L108	D102-T104 PolarHBondContact OD1-N 2.69Å; T104-E106 VanDerWaalsContact C-N 3.29Å; T104-E106 HydrophobicContact CG2-CB 4.28Å; T104-E106 WeakPolarHBondContact CG2-OE2 3.41Å; T104-E106 PolarHBondContact O-N 3.13Å; T104-F107 VanDerWaalsContact CB-CD2 3.47Å; T104-F107 HydrophobicContact CG2-CB 4.4Å; T104-F107 HydrophobicContact CG2-CD1 4.09Å; T104-F107 HydrophobicContact CG2-CD2 3.73Å; T104-F107 HydrophobicContact CG2-CE1 4.26Å; T104-F107 HydrophobicContact CG2-CE2 3.9Å; T104-F107 HydrophobicContact CG2-CG 3.81Å; T104-F107 HydrophobicContact CG2-CZ 4.16Å; T104-F107 WeakPolarHBondContact O-CB 3.48Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.13Å; T104-L108 PolarHBondContact O-N 3.05Å
105	Q	97.6	Very high	98.3	Very high	77 Å²	77	43.7 Å²	43.7	36%	0.36	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-39.2	-177.2	-177.1	59.8	61.5	0	0	112.2	F107 L108 D109 C127	Q105-F107 PolarHBondContact O-N 3.33Å; Q105-L108 PolarHBondContact O-N 3.27Å; Q105-L108 VanDerWaalsContact O-N 3.11Å; Q105-D109 PolarHBondContact NE2-OD1 3.19Å; Q105-D109 PolarHBondContact O-N 3.44Å; Q105-C127 VanDerWaalsContact OE1-CB 3.25Å
106	E	97.8	Very high	98.3	Very high	101 Å²	101	45.2 Å²	45.2	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-59.7	-34.6	179.5	-65.9	78.2	-174.8	0	0	111.7	T104 K110	T104-E106 VanDerWaalsContact C-N 3.29Å; T104-E106 HydrophobicContact CG2-CB 4.28Å; T104-E106 WeakPolarHBondContact CG2-OE2 3.41Å; T104-E106 PolarHBondContact O-N 3.13Å; E106-K110 WeakPolarHBondContact O-CB 3.23Å; E106-K110 PolarHBondContact O-N 3.44Å
107	F	98.6	Very high	98.2	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-41.6	175.7	-66.1	-15.5	0	0	0	112.1	W31 V34 P36 M41 I83 T104 Q105 D109 K110 A111	W31-F107 HydrophobicContact CB-CE2 4.19Å; W31-F107 HydrophobicContact CD2-CE2 4.41Å; W31-F107 AromaticContact CE3-CE2 3.77Å; W31-F107 HydrophobicContact CE3-CE2 3.77Å; W31-F107 HydrophobicContact CE3-CZ 4.03Å; W31-F107 WeakPolarHBondContact O-CZ 3.38Å; V34-F107 HydrophobicContact CB-CZ 4.14Å; V34-F107 HydrophobicContact CG1-CZ 4.31Å; V34-F107 WeakPolarHBondContact O-CE1 3.21Å; P36-F107 HydrophobicContact CB-CD1 3.81Å; P36-F107 HydrophobicContact CB-CE1 4.02Å; M41-F107 HydrophobicContact CE-CD1 4.19Å; M41-F107 HydrophobicContact CE-CD2 4.19Å; M41-F107 HydrophobicContact CE-CE1 3.76Å; M41-F107 HydrophobicContact CE-CE2 3.76Å; M41-F107 HydrophobicContact CE-CG 4.41Å; M41-F107 HydrophobicContact CE-CZ 3.53Å; M41-F107 HydrophobicContact SD-CD2 4.33Å; M41-F107 HydrophobicContact SD-CE2 4.38Å; I83-F107 HydrophobicContact CG2-CB 4.25Å; I83-F107 HydrophobicContact CG2-CD1 4.17Å; I83-F107 HydrophobicContact CG2-CG 4.38Å; T104-F107 VanDerWaalsContact CB-CD2 3.47Å; T104-F107 HydrophobicContact CG2-CB 4.4Å; T104-F107 HydrophobicContact CG2-CD1 4.09Å; T104-F107 HydrophobicContact CG2-CD2 3.73Å; T104-F107 HydrophobicContact CG2-CE1 4.26Å; T104-F107 HydrophobicContact CG2-CE2 3.9Å; T104-F107 HydrophobicContact CG2-CG 3.81Å; T104-F107 HydrophobicContact CG2-CZ 4.16Å; T104-F107 WeakPolarHBondContact O-CB 3.48Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.13Å; Q105-F107 PolarHBondContact O-N 3.33Å; F107-D109 VanDerWaalsContact C-N 3.34Å; F107-K110 CarbonylContact O-C 3.58Å; F107-K110 WeakPolarHBondContact O-CB 3.29Å; F107-K110 PolarHBondContact O-N 2.84Å; F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 2.84Å
108	L	98.6	Very high	98.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-39.1	175.8	-63.7	176.5	0	0	0	111.6	L100 D102 T104 Q105 A111 R112 Y125 Y126 C127	L100-L108 HydrophobicContact CB-CD2 4.13Å; D102-L108 HydrophobicContact CB-CD1 4.36Å; D102-L108 HydrophobicContact CB-CD2 3.74Å; D102-L108 HydrophobicContact CB-CG 4Å; T104-L108 PolarHBondContact O-N 3.05Å; Q105-L108 PolarHBondContact O-N 3.27Å; Q105-L108 VanDerWaalsContact O-N 3.11Å; L108-A111 WeakPolarHBondContact O-CB 3.4Å; L108-A111 PolarHBondContact O-N 3.32Å; L108-R112 PolarHBondContact O-N 3.18Å; L108-Y125 HydrophobicContact CB-CD1 4.42Å; L108-Y125 HydrophobicContact CD2-CD1 4.31Å; L108-Y126 WeakPolarHBondContact CD1-O 3.31Å; L108-C127 HydrophobicContact CD1-CB 3.77Å
109	D	98.1	Very high	98.1	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-42.2	174.2	-70.4	-16.8	0	0	0	111.1	Q105 F107 A111 R112	Q105-D109 PolarHBondContact NE2-OD1 3.19Å; Q105-D109 PolarHBondContact O-N 3.44Å; F107-D109 VanDerWaalsContact C-N 3.34Å; D109-A111 VanDerWaalsContact C-N 3.29Å; D109-A111 PolarHBondContact O-N 2.75Å; D109-R112 PolarHBondContact O-N 2.81Å; D109-R112 IonicContact OD1-NE 3.17Å
110	K	98.4	Very high	98	Very high	84 Å²	84	53.3 Å²	53.3	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-40.6	171.7	-176	63.7	165.7	-178.7	0	111.5	P36 I83 E106 F107 R112 T113 F114	P36-K110 HydrophobicContact CB-CB 3.98Å; P36-K110 HydrophobicContact CB-CG 3.94Å; P36-K110 WeakPolarHBondContact O-CE 3.37Å; I83-K110 HydrophobicContact CB-CB 4.42Å; I83-K110 HydrophobicContact CB-CG 4.1Å; I83-K110 HydrophobicContact CG2-CB 3.92Å; I83-K110 HydrophobicContact CG2-CG 3.75Å; E106-K110 WeakPolarHBondContact O-CB 3.23Å; E106-K110 PolarHBondContact O-N 3.44Å; F107-K110 CarbonylContact O-C 3.58Å; F107-K110 WeakPolarHBondContact O-CB 3.29Å; F107-K110 PolarHBondContact O-N 2.84Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 PolarHBondContact O-N 2.88Å; K110-T113 PolarHBondContact O-N 2.91Å; K110-T113 VanDerWaalsContact O-N 3.09Å; K110-T113 PolarHBondContact O-OG1 2.73Å; K110-F114 WeakPolarHBondContact O-CB 3.39Å; K110-F114 PolarHBondContact O-N 3.05Å
111	A	98.6	Very high	98	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-39.6	-178.7	0	0	0	0	0	111.8	I83 L100 F107 L108 D109 T113 F114 L115 Y125	I83-A111 VanDerWaalsContact O-CA 3.3Å; I83-A111 WeakPolarHBondContact O-CA 3.38Å; I83-A111 VanDerWaalsContact O-CB 3.32Å; I83-A111 WeakPolarHBondContact O-CB 3.35Å; L100-A111 HydrophobicContact CD2-CB 4Å; F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 2.84Å; L108-A111 WeakPolarHBondContact O-CB 3.4Å; L108-A111 PolarHBondContact O-N 3.32Å; D109-A111 VanDerWaalsContact C-N 3.29Å; D109-A111 PolarHBondContact O-N 2.75Å; A111-T113 PolarHBondContact O-N 3.31Å; A111-T113 VanDerWaalsContact O-N 3.17Å; A111-F114 PolarHBondContact O-N 2.92Å; A111-L115 HydrophobicContact CB-CD1 4.29Å; A111-L115 VanDerWaalsContact O-CB 3.29Å; A111-L115 WeakPolarHBondContact O-CB 3.17Å; A111-L115 WeakPolarHBondContact O-CD1 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.4Å; A111-L115 PolarHBondContact O-N 2.81Å; A111-Y125 HydrophobicContact CB-CE1 3.98Å
112	R	97.3	Very high	98	Very high	124 Å²	124	57.4 Å²	57.4	47%	0.468	29%	0.29	S	S	.	.	H	α-helix	trans	-55.2	-37	178	-63.5	176	-174.1	-75.5	-1.5	113	L108 D109 K110 Y125	L108-R112 PolarHBondContact O-N 3.18Å; D109-R112 PolarHBondContact O-N 2.81Å; D109-R112 IonicContact OD1-NE 3.17Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 PolarHBondContact O-N 2.88Å; R112-Y125 HydrophobicContact CG-CD1 4.49Å; R112-Y125 HydrophobicContact CG-CE1 3.96Å; R112-Y125 HydrophobicContact CG-CE2 4.23Å
113	T	97.8	Very high	98	Very high	99 Å²	99	58.4 Å²	58.4	61%	0.607	30%	0.304	S	S	*	.	H	α-helix	trans	-90	-39.6	177	62.5	0	0	0	0	112.1	K110 A111 L115 G116	K110-T113 PolarHBondContact O-N 2.91Å; K110-T113 VanDerWaalsContact O-N 3.09Å; K110-T113 PolarHBondContact O-OG1 2.73Å; A111-T113 PolarHBondContact O-N 3.31Å; A111-T113 VanDerWaalsContact O-N 3.17Å; T113-L115 VanDerWaalsContact C-N 3.28Å; T113-L115 PolarHBondContact O-N 3.39Å; T113-G116 PolarHBondContact O-N 3.3Å; T113-G116 VanDerWaalsContact O-N 3.15Å
114	F	98.4	Very high	98.1	Very high	49 Å²	49	58.4 Å²	58.4	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-36.1	-179.5	176.8	-102	0	0	0	111.9	V38 I83 K88 K110 A111 G116	V38-F114 HydrophobicContact CG2-CE2 3.92Å; V38-F114 HydrophobicContact CG2-CZ 3.81Å; I83-F114 HydrophobicContact CD1-CD1 4.35Å; I83-F114 HydrophobicContact CD1-CD2 4.06Å; I83-F114 HydrophobicContact CD1-CE1 4.37Å; I83-F114 HydrophobicContact CD1-CE2 4.1Å; I83-F114 HydrophobicContact CD1-CG 4.18Å; I83-F114 HydrophobicContact CD1-CZ 4.24Å; I83-F114 HydrophobicContact CG1-CD1 4.25Å; I83-F114 HydrophobicContact CG1-CE1 4.38Å; I83-F114 HydrophobicContact CG1-CG 4.45Å; I83-F114 WeakPolarHBondContact O-CD1 3.34Å; K88-F114 HydrophobicContact CB-CE1 3.94Å; K88-F114 HydrophobicContact CD-CD1 3.93Å; K88-F114 HydrophobicContact CD-CE1 3.53Å; K88-F114 HydrophobicContact CD-CZ 3.89Å; K88-F114 WeakPolarHBondContact CD-O 3.28Å; K88-F114 HydrophobicContact CG-CE1 4.33Å; K88-F114 PolarHBondContact NZ-O 3.06Å; K110-F114 WeakPolarHBondContact O-CB 3.39Å; K110-F114 PolarHBondContact O-N 3.05Å; A111-F114 PolarHBondContact O-N 2.92Å; F114-G116 VanDerWaalsContact C-N 3.28Å; F114-G116 PolarHBondContact O-N 2.98Å
115	L	98.4	Very high	98.1	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20	179.7	-65	170.4	0	0	0	113.2	K88 L92 L100 A111 T113 A119 V122 Y125	K88-L115 HydrophobicContact CB-CD2 3.7Å; K88-L115 HydrophobicContact CG-CD2 4.36Å; L92-L115 HydrophobicContact CD1-CD2 3.78Å; L100-L115 HydrophobicContact CD2-CD1 4.41Å; A111-L115 HydrophobicContact CB-CD1 4.29Å; A111-L115 VanDerWaalsContact O-CB 3.29Å; A111-L115 WeakPolarHBondContact O-CB 3.17Å; A111-L115 WeakPolarHBondContact O-CD1 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.4Å; A111-L115 PolarHBondContact O-N 2.81Å; T113-L115 VanDerWaalsContact C-N 3.28Å; T113-L115 PolarHBondContact O-N 3.39Å; L115-A119 HydrophobicContact CB-CB 3.99Å; L115-V122 HydrophobicContact CD1-CG2 3.64Å; L115-Y125 HydrophobicContact CD1-CE1 4.35Å
116	G	97.3	Very high	98.2	Very high	36 Å²	36	58.8 Å²	58.8	37%	0.371	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	62.2	-143.2	-177.4	0	0	0	0	0	111.9	T113 F114 D118 A119	T113-G116 PolarHBondContact O-N 3.3Å; T113-G116 VanDerWaalsContact O-N 3.15Å; F114-G116 VanDerWaalsContact C-N 3.28Å; F114-G116 PolarHBondContact O-N 2.98Å; G116-D118 PolarHBondContact O-N 3.22Å; G116-D118 VanDerWaalsContact O-N 3.09Å; G116-A119 WeakPolarHBondContact O-CB 3.31Å; G116-A119 PolarHBondContact O-N 3.23Å
117	D	97.1	Very high	98.2	Very high	139 Å²	139	56.8 Å²	56.8	74%	0.743	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-59.5	-25	-177.6	-69.1	-14.6	0	0	0	114	A119 K120	D117-A119 PolarHBondContact O-N 3.32Å; D117-K120 VanDerWaalsContact O-CD 3.25Å; D117-K120 WeakPolarHBondContact O-CD 3.32Å; D117-K120 WeakPolarHBondContact O-CE 3.36Å; D117-K120 WeakPolarHBondContact O-CG 3.21Å; D117-K120 PolarHBondContact O-N 3.13Å
118	D	97.4	Very high	98.2	Very high	58 Å²	58	58.2 Å²	58.2	31%	0.31	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.5	177.1	-75.4	-43.5	0	0	0	112.9	L92 G116 K120 R121	L92-D118 HydrophobicContact CD1-CB 4Å; G116-D118 PolarHBondContact O-N 3.22Å; G116-D118 VanDerWaalsContact O-N 3.09Å; D118-K120 PolarHBondContact O-N 3.45Å; D118-K120 VanDerWaalsContact O-N 3.11Å; D118-R121 VanDerWaalsContact CG-NH2 3.31Å; D118-R121 WeakPolarHBondContact O-CB 3.27Å; D118-R121 PolarHBondContact O-N 2.79Å; D118-R121 IonicContact OD1-CZ 2.74Å; D118-R121 IonicContact OD1-NE 2.76Å; D118-R121 PolarHBondContact OD1-NE 2.7Å; D118-R121 VanDerWaalsContact OD1-NE 3.16Å; D118-R121 IonicContact OD1-NH2 3.25Å; D118-R121 PolarHBondContact OD1-NH2 2.86Å; D118-R121 IonicContact OD2-NH2 3.77Å
119	A	97.4	Very high	98.1	Very high	21 Å²	21	58.6 Å²	58.6	17%	0.174	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.1	173.6	0	0	0	0	0	112.5	L115 G116 D117 R121 V122	L115-A119 HydrophobicContact CB-CB 3.99Å; G116-A119 WeakPolarHBondContact O-CB 3.31Å; G116-A119 PolarHBondContact O-N 3.23Å; D117-A119 PolarHBondContact O-N 3.32Å; A119-R121 PolarHBondContact O-N 2.73Å; A119-V122 WeakPolarHBondContact O-CB 3.36Å; A119-V122 PolarHBondContact O-N 2.83Å
120	K	97.9	Very high	98.2	Very high	171 Å²	171	55.4 Å²	55.4	74%	0.743	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.4	175.3	77.5	-165.1	169.3	-176.2	0	114	D117 D118	D117-K120 VanDerWaalsContact O-CD 3.25Å; D117-K120 WeakPolarHBondContact O-CD 3.32Å; D117-K120 WeakPolarHBondContact O-CE 3.36Å; D117-K120 WeakPolarHBondContact O-CG 3.21Å; D117-K120 PolarHBondContact O-N 3.13Å; D118-K120 PolarHBondContact O-N 3.45Å; D118-K120 VanDerWaalsContact O-N 3.11Å
121	R	98.6	Very high	98.2	Very high	69 Å²	69	52.9 Å²	52.9	26%	0.26	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-98.4	0.5	176	-59.5	-172.4	-64	121.5	-12	111.8	L92 F95 T97 V98 D118 A119	L92-R121 HydrophobicContact CD2-CB 3.84Å; L92-R121 VanDerWaalsContact O-CZ 3.26Å; L92-R121 PolarHBondContact O-NH1 3.05Å; L92-R121 PolarHBondContact O-NH2 2.94Å; F95-R121 PolarHBondContact O-NH1 3.06Å; T97-R121 VanDerWaalsContact CA-O 3.31Å; T97-R121 WeakPolarHBondContact CA-O 3.27Å; T97-R121 WeakPolarHBondContact CG2-O 3.38Å; V98-R121 PolarHBondContact N-O 2.86Å; V98-R121 VanDerWaalsContact N-O 3.15Å; D118-R121 VanDerWaalsContact CG-NH2 3.31Å; D118-R121 WeakPolarHBondContact O-CB 3.27Å; D118-R121 PolarHBondContact O-N 2.79Å; D118-R121 IonicContact OD1-CZ 2.74Å; D118-R121 IonicContact OD1-NE 2.76Å; D118-R121 PolarHBondContact OD1-NE 2.7Å; D118-R121 VanDerWaalsContact OD1-NE 3.16Å; D118-R121 IonicContact OD1-NH2 3.25Å; D118-R121 PolarHBondContact OD1-NH2 2.86Å; D118-R121 IonicContact OD2-NH2 3.77Å; A119-R121 PolarHBondContact O-N 2.73Å
122	V	98.8	Very high	98.1	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.3	166.5	179.2	0	0	0	0	108.7	V98 L100 L115 A119 N124 Y125	V98-V122 CarbonylContact O-C 3.59Å; V98-V122 WeakPolarHBondContact O-CA 3.43Å; V98-V122 WeakPolarHBondContact O-CG1 3.48Å; L100-V122 HydrophobicContact CD1-CB 4.49Å; L100-V122 HydrophobicContact CD1-CG1 3.72Å; L100-V122 HydrophobicContact CD1-CG2 3.9Å; L115-V122 HydrophobicContact CD1-CG2 3.64Å; A119-V122 WeakPolarHBondContact O-CB 3.36Å; A119-V122 PolarHBondContact O-N 2.83Å; V122-N124 WeakPolarHBondContact CG1-O 3.5Å; V122-Y125 HydrophobicContact CB-CE2 3.74Å; V122-Y125 HydrophobicContact CG1-CD1 4.36Å; V122-Y125 HydrophobicContact CG1-CD2 3.73Å; V122-Y125 HydrophobicContact CG1-CE1 3.98Å; V122-Y125 HydrophobicContact CG1-CE2 3.29Å; V122-Y125 HydrophobicContact CG1-CG 4.25Å; V122-Y125 VanDerWaalsContact CG1-CZ 3.44Å; V122-Y125 WeakPolarHBondContact CG2-OH 3.45Å
123	G	98.6	Very high	98.2	Very high	37 Å²	37	54.5 Å²	54.5	38%	0.381	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-46.7	179.9	0	0	0	0	0	112	V98 D99	V98-G123 PolarHBondContact O-N 2.83Å; D99-G123 VanDerWaalsContact OD1-CA 3.26Å; D99-G123 WeakPolarHBondContact OD1-CA 3.36Å
124	N	98.8	Very high	98.2	Very high	51 Å²	51	55.9 Å²	55.9	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.2	-178.9	-61.6	-81	0	0	0	111.6	R75 D99 L100 V122 Y126 R139	R75-N124 PolarHBondContact NH2-ND2 2.81Å; D99-N124 WeakPolarHBondContact CA-O 3.41Å; D99-N124 HydrophobicContact CB-CB 4.39Å; D99-N124 PolarHBondContact OD1-N 2.85Å; D99-N124 PolarHBondContact OD1-ND2 2.77Å; L100-N124 PolarHBondContact N-O 2.83Å; V122-N124 WeakPolarHBondContact CG1-O 3.5Å; N124-Y126 HydrophobicContact CB-CD1 4.45Å; N124-Y126 HydrophobicContact CB-CD2 3.97Å; N124-Y126 HydrophobicContact CB-CE1 3.92Å; N124-Y126 HydrophobicContact CB-CE2 3.37Å; N124-Y126 HydrophobicContact CB-CG 4.48Å; N124-Y126 VanDerWaalsContact CG-OH 3.23Å; N124-Y126 PolarHBondContact ND2-OH 2.82Å; N124-R139 PolarHBondContact ND2-NH1 2.93Å
125	Y	98.8	Very high	98.2	Very high	39 Å²	39	53.8 Å²	53.8	15%	0.153	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.3	167.2	-61.8	-101.5	0	0	0	106.6	L100 L108 A111 R112 L115 V122	L100-Y125 HydrophobicContact CB-CD1 4.4Å; L100-Y125 HydrophobicContact CD2-CD1 4.37Å; L100-Y125 HydrophobicContact CD2-CE1 4.24Å; L108-Y125 HydrophobicContact CB-CD1 4.42Å; L108-Y125 HydrophobicContact CD2-CD1 4.31Å; A111-Y125 HydrophobicContact CB-CE1 3.98Å; R112-Y125 HydrophobicContact CG-CD1 4.49Å; R112-Y125 HydrophobicContact CG-CE1 3.96Å; R112-Y125 HydrophobicContact CG-CE2 4.23Å; L115-Y125 HydrophobicContact CD1-CE1 4.35Å; V122-Y125 HydrophobicContact CB-CE2 3.74Å; V122-Y125 HydrophobicContact CG1-CD1 4.36Å; V122-Y125 HydrophobicContact CG1-CD2 3.73Å; V122-Y125 HydrophobicContact CG1-CE1 3.98Å; V122-Y125 HydrophobicContact CG1-CE2 3.29Å; V122-Y125 HydrophobicContact CG1-CG 4.25Å; V122-Y125 VanDerWaalsContact CG1-CZ 3.44Å; V122-Y125 WeakPolarHBondContact CG2-OH 3.45Å
126	Y	98.8	Very high	98.2	Very high	53 Å²	53	58.1 Å²	58.1	21%	0.208	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.4	-178.4	-60.5	-71.6	0	0	0	109.5	D99 L100 V101 D102 L108 N124 C128 F133 R139	D99-Y126 HydrophobicContact CB-CD2 4.47Å; D99-Y126 HydrophobicContact CB-CE2 3.99Å; L100-Y126 WeakPolarHBondContact O-CD2 3.35Å; L100-Y126 PolarHBondContact O-N 3.2Å; V101-Y126 VanDerWaalsContact CA-O 3.31Å; V101-Y126 WeakPolarHBondContact CA-O 3.4Å; D102-Y126 PolarHBondContact N-O 3.33Å; L108-Y126 WeakPolarHBondContact CD1-O 3.31Å; N124-Y126 HydrophobicContact CB-CD1 4.45Å; N124-Y126 HydrophobicContact CB-CD2 3.97Å; N124-Y126 HydrophobicContact CB-CE1 3.92Å; N124-Y126 HydrophobicContact CB-CE2 3.37Å; N124-Y126 HydrophobicContact CB-CG 4.48Å; N124-Y126 VanDerWaalsContact CG-OH 3.23Å; N124-Y126 PolarHBondContact ND2-OH 2.82Å; Y126-C128 PolarHBondContact O-N 3.23Å; Y126-F133 HydrophobicContact CD1-CE2 4.04Å; Y126-F133 AromaticContact CD2-CE2 3.8Å; Y126-F133 HydrophobicContact CD2-CE2 3.8Å; Y126-F133 AromaticContact CD2-CZ 3.78Å; Y126-F133 HydrophobicContact CD2-CZ 3.78Å; Y126-F133 HydrophobicContact CE2-CE2 4.29Å; Y126-F133 HydrophobicContact CE2-CZ 4.07Å; Y126-F133 AromaticContact CG-CE2 3.65Å; Y126-F133 HydrophobicContact CG-CE2 3.65Å; Y126-F133 HydrophobicContact CG-CZ 4.13Å; Y126-R139 PolarHBondContact OH-NH1 3.17Å
127	C	98.5	Very high	98.3	Very high	59 Å²	59	60.8 Å²	60.8	40%	0.399	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	93.2	170.7	-164.6	0	0	0	0	108.8	D102 Q105 L108	D102-C127 CarbonylContact O-C 3.58Å; D102-C127 VanDerWaalsContact O-CA 3.24Å; D102-C127 WeakPolarHBondContact O-CA 3.32Å; Q105-C127 VanDerWaalsContact OE1-CB 3.25Å; L108-C127 HydrophobicContact CD1-CB 3.77Å
128	C	97.8	Very high	98.3	Very high	35 Å²	35	59.5 Å²	59.5	24%	0.236	31%	0.314	C	S	.	.			trans	-161.7	136.7	-174.4	-175.5	0	0	0	0	110.8	V101 D102 Y126 F133	V101-C128 HydrophobicContact CG2-CB 4.4Å; V101-C128 WeakPolarHBondContact CG2-O 3.48Å; D102-C128 PolarHBondContact O-N 2.8Å; Y126-C128 PolarHBondContact O-N 3.23Å; C128-F133 HydrophobicContact CB-CB 4.45Å; C128-F133 HydrophobicContact CB-CD2 4.27Å
129	G	98.3	Very high	98.4	Very high	9 Å²	9	58.2 Å²	58.2	9%	0.093	31%	0.305	C	S	.	.			trans	-64.4	139.3	170	0	0	0	0	0	111.7	Q131 E132 F133	G129-Q131 VanDerWaalsContact C-OE1 3.26Å; G129-Q131 PolarHBondContact O-N 3.08Å; G129-Q131 VanDerWaalsContact O-N 3.13Å; G129-E132 PolarHBondContact O-N 2.84Å; G129-F133 PolarHBondContact O-N 3.4Å
130	L	98.8	Very high	98.4	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.058	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.5	-177.1	-61.4	-177.6	0	0	0	112.8	C79 V101 E132 V148 L152 F160 R163	C79-L130 HydrophobicContact CB-CD1 4.06Å; C79-L130 HydrophobicContact CB-CD2 4.02Å; V101-L130 HydrophobicContact CG1-CD2 3.67Å; V101-L130 HydrophobicContact CG2-CD2 4.08Å; L130-E132 PolarHBondContact O-N 3.05Å; L130-V148 HydrophobicContact CD1-CB 4.46Å; L130-V148 HydrophobicContact CD1-CG1 3.73Å; L130-V148 HydrophobicContact CD1-CG2 3.85Å; L130-L152 HydrophobicContact CB-CD1 4.03Å; L130-L152 HydrophobicContact CB-CD2 4.13Å; L130-F160 HydrophobicContact CB-CD1 4.36Å; L130-F160 HydrophobicContact CB-CD2 4.32Å; L130-F160 HydrophobicContact CB-CE1 4.29Å; L130-F160 HydrophobicContact CB-CE2 4.28Å; L130-F160 HydrophobicContact CB-CG 4.37Å; L130-F160 HydrophobicContact CB-CZ 4.27Å; L130-F160 HydrophobicContact CD1-CE1 3.97Å; L130-F160 HydrophobicContact CD1-CZ 4.26Å; L130-F160 HydrophobicContact CD2-CE1 4.32Å; L130-F160 HydrophobicContact CD2-CE2 4.11Å; L130-F160 HydrophobicContact CD2-CZ 3.76Å; L130-F160 HydrophobicContact CG-CE1 4.43Å; L130-F160 HydrophobicContact CG-CZ 4.32Å; L130-F160 VanDerWaalsContact O-CD2 3.26Å; L130-F160 WeakPolarHBondContact O-CD2 3.41Å; L130-R163 PolarHBondContact O-NH2 3.17Å
131	Q	98.3	Very high	98.5	Very high	31 Å²	31	49.7 Å²	49.7	15%	0.145	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.1	173.7	67	-77.4	8.9	0	0	112.6	Y24 G129 L152 H156 R163	Y24-Q131 HydrophobicContact CE1-CB 4.43Å; Y24-Q131 HydrophobicContact CE1-CG 4.27Å; G129-Q131 VanDerWaalsContact C-OE1 3.26Å; G129-Q131 PolarHBondContact O-N 3.08Å; G129-Q131 VanDerWaalsContact O-N 3.13Å; Q131-L152 HydrophobicContact CB-CD2 4.01Å; Q131-H156 HydrophobicContact CB-CB 4.03Å; Q131-H156 WeakPolarHBondContact CB-ND1 3.46Å; Q131-R163 VanDerWaalsContact C-NH2 3.35Å; Q131-R163 PolarHBondContact O-NH2 2.73Å
132	E	98.1	Very high	98.5	Very high	145 Å²	145	46.4 Å²	46.4	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-22.4	-179.6	-75.3	174.2	-173.2	0	0	113.4	G129 L130 I134	G129-E132 PolarHBondContact O-N 2.84Å; L130-E132 PolarHBondContact O-N 3.05Å; E132-I134 WeakPolarHBondContact O-CG1 3.43Å; E132-I134 PolarHBondContact O-N 2.79Å
133	F	98.8	Very high	98.5	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	25%	0.247	C	C	.	.			trans	-63.3	128.8	-175.1	-176.3	-115.8	0	0	0	113	L77 V101 Y126 C128 G129 P135 F160 R163	L77-F133 HydrophobicContact CD1-CE1 4.35Å; L77-F133 HydrophobicContact CD1-CZ 4.5Å; L77-F133 HydrophobicContact CD2-CE1 3.79Å; V101-F133 HydrophobicContact CB-CD1 4.42Å; V101-F133 HydrophobicContact CB-CE1 4.31Å; V101-F133 HydrophobicContact CB-CZ 4.37Å; V101-F133 HydrophobicContact CG1-CD1 4.15Å; V101-F133 HydrophobicContact CG1-CE1 4.1Å; V101-F133 HydrophobicContact CG2-CB 4.32Å; V101-F133 HydrophobicContact CG2-CD1 4.08Å; V101-F133 HydrophobicContact CG2-CD2 3.9Å; V101-F133 HydrophobicContact CG2-CE1 4.4Å; V101-F133 HydrophobicContact CG2-CE2 4.23Å; V101-F133 HydrophobicContact CG2-CG 3.83Å; V101-F133 HydrophobicContact CG2-CZ 4.47Å; Y126-F133 HydrophobicContact CD1-CE2 4.04Å; Y126-F133 AromaticContact CD2-CE2 3.8Å; Y126-F133 HydrophobicContact CD2-CE2 3.8Å; Y126-F133 AromaticContact CD2-CZ 3.78Å; Y126-F133 HydrophobicContact CD2-CZ 3.78Å; Y126-F133 HydrophobicContact CE2-CE2 4.29Å; Y126-F133 HydrophobicContact CE2-CZ 4.07Å; Y126-F133 AromaticContact CG-CE2 3.65Å; Y126-F133 HydrophobicContact CG-CE2 3.65Å; Y126-F133 HydrophobicContact CG-CZ 4.13Å; C128-F133 HydrophobicContact CB-CB 4.45Å; C128-F133 HydrophobicContact CB-CD2 4.27Å; G129-F133 PolarHBondContact O-N 3.4Å; F133-P135 HydrophobicContact CE1-CB 3.8Å; F133-P135 HydrophobicContact CE1-CG 4.3Å; F133-P135 HydrophobicContact CZ-CB 4.31Å; F133-F160 HydrophobicContact CD1-CE2 4.1Å; F133-R163 PolarHBondContact O-NE 3.39Å; F133-R163 PolarHBondContact O-NH2 3.08Å
134	I	98.6	Very high	98.5	Very high	129 Å²	129	43.9 Å²	43.9	66%	0.662	23%	0.229	S	C	*	.			trans	-115.5	98.4	176.9	-51.4	-177.4	0	0	0	108.7	E132	E132-I134 WeakPolarHBondContact O-CG1 3.43Å; E132-I134 PolarHBondContact O-N 2.79Å
135	P	98.4	Very high	98.5	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.032	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65.4	142.4	174.4	26	-33	0	0	0	111.1	L77 F133 Y140 R163 A167	L77-P135 HydrophobicContact CD2-CB 4.28Å; F133-P135 HydrophobicContact CE1-CB 3.8Å; F133-P135 HydrophobicContact CE1-CG 4.3Å; F133-P135 HydrophobicContact CZ-CB 4.31Å; P135-Y140 HydrophobicContact CB-CD2 4.36Å; P135-Y140 HydrophobicContact CB-CE2 3.8Å; P135-R163 HydrophobicContact CG-CB 4.47Å; P135-A167 HydrophobicContact CB-CB 3.57Å; P135-A167 HydrophobicContact CG-CB 3.63Å
136	E	98.1	Very high	98.5	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.439	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-60.7	137.4	178.2	-65.9	172.9	-157.2	0	0	111	R139 A167	E136-R139 HydrophobicContact CB-CB 4.17Å; E136-R139 VanDerWaalsContact CD-NE 3.35Å; E136-R139 VanDerWaalsContact O-CB 3.29Å; E136-R139 WeakPolarHBondContact O-CB 3.33Å; E136-R139 IonicContact OE1-CZ 3.97Å; E136-R139 VanDerWaalsContact OE1-CZ 3.29Å; E136-R139 IonicContact OE1-NE 3.79Å; E136-R139 IonicContact OE1-NH1 2.83Å; E136-R139 IonicContact OE1-NH2 2.73Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-CZ 2.69Å; E136-R139 IonicContact OE2-NE 3.29Å; E136-R139 PolarHBondContact OE2-NE 2.74Å; E136-R139 IonicContact OE2-NH2 3.22Å; E136-R139 PolarHBondContact OE2-NH2 2.86Å; E136-A167 WeakPolarHBondContact O-CA 3.24Å; E136-A167 VanDerWaalsContact O-CB 3.23Å; E136-A167 WeakPolarHBondContact O-CB 3.47Å
137	P	98.3	Very high	98.5	Very high	92 Å²	92	40.2 Å²	40.2	60%	0.597	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	148.2	175.8	-26.5	35.2	0	0	0	113.7	R139 K166	P137-R139 PolarHBondContact O-N 2.86Å; P137-K166 VanDerWaalsContact CA-O 3.3Å; P137-K166 WeakPolarHBondContact CA-O 3.36Å
138	D	98.2	Very high	98.5	Very high	111 Å²	111	38.3 Å²	38.3	59%	0.594	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	29	173.7	-58.9	-56.8	0	0	0	115.3	K166 R169	D138-K166 PolarHBondContact N-O 2.84Å; D138-R169 WeakPolarHBondContact O-CG 3.4Å; D138-R169 PolarHBondContact O-NE 3.01Å
139	R	98.4	Very high	98.6	Very high	31 Å²	31	37 Å²	37	12%	0.117	19%	0.188	C	C	.	.			trans	-97.3	-38.1	-171.1	-171.5	-176	-120.5	-153.5	9.3	113.9	R75 D99 N124 Y126 E136 P137 A167 R169	R75-R139 VanDerWaalsContact NH1-CZ 3.29Å; D99-R139 IonicContact OD2-CZ 2.81Å; D99-R139 IonicContact OD2-NH1 3.06Å; D99-R139 PolarHBondContact OD2-NH1 2.76Å; N124-R139 PolarHBondContact ND2-NH1 2.93Å; Y126-R139 PolarHBondContact OH-NH1 3.17Å; E136-R139 HydrophobicContact CB-CB 4.17Å; E136-R139 VanDerWaalsContact CD-NE 3.35Å; E136-R139 VanDerWaalsContact O-CB 3.29Å; E136-R139 WeakPolarHBondContact O-CB 3.33Å; E136-R139 IonicContact OE1-CZ 3.97Å; E136-R139 VanDerWaalsContact OE1-CZ 3.29Å; E136-R139 IonicContact OE1-NE 3.79Å; E136-R139 IonicContact OE1-NH1 2.83Å; E136-R139 IonicContact OE1-NH2 2.73Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-CZ 2.69Å; E136-R139 IonicContact OE2-NE 3.29Å; E136-R139 PolarHBondContact OE2-NE 2.74Å; E136-R139 IonicContact OE2-NH2 3.22Å; E136-R139 PolarHBondContact OE2-NH2 2.86Å; P137-R139 PolarHBondContact O-N 2.86Å; R139-A167 PolarHBondContact N-O 3.09Å; R139-R169 PolarHBondContact O-NE 3.21Å; R139-R169 VanDerWaalsContact O-NE 3.15Å
140	Y	98.8	Very high	98.6	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.6	-164.2	-60.1	-71.6	0	0	0	112.4	R75 L77 D99 P135 I143 A167 L168 R169	R75-Y140 HydrophobicContact CB-CD1 4.41Å; R75-Y140 HydrophobicContact CG-CD1 3.94Å; R75-Y140 HydrophobicContact CG-CE1 4.04Å; L77-Y140 HydrophobicContact CB-CD1 3.69Å; L77-Y140 HydrophobicContact CB-CD2 4.29Å; L77-Y140 HydrophobicContact CB-CE1 3.66Å; L77-Y140 HydrophobicContact CB-CE2 4.27Å; L77-Y140 HydrophobicContact CB-CG 4.01Å; L77-Y140 HydrophobicContact CD1-CE1 4.33Å; L77-Y140 HydrophobicContact CD2-CD2 4.43Å; L77-Y140 HydrophobicContact CD2-CE2 4.08Å; L77-Y140 HydrophobicContact CG-CE1 4.45Å; D99-Y140 HydrophobicContact CB-CE1 4.11Å; D99-Y140 WeakPolarHBondContact OD2-CE1 2.94Å; D99-Y140 PolarHBondContact OD2-OH 2.93Å; P135-Y140 HydrophobicContact CB-CD2 4.36Å; P135-Y140 HydrophobicContact CB-CE2 3.8Å; Y140-I143 HydrophobicContact CD2-CD1 4.28Å; Y140-I143 HydrophobicContact CD2-CG1 4.24Å; Y140-I143 HydrophobicContact CG-CG1 4.17Å; Y140-A167 HydrophobicContact CD2-CB 4.06Å; Y140-A167 PolarHBondContact N-O 3.01Å; Y140-L168 WeakPolarHBondContact O-CA 3.17Å; Y140-R169 PolarHBondContact O-N 2.94Å
141	D	98.6	Very high	98.6	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-35.1	167.1	-58.1	-71.2	0	0	0	110	T71 G72 G74 R75 F95 R169 G172 L173	T71-D141 HydrophobicContact CG2-CB 4.22Å; T71-D141 WeakPolarHBondContact CG2-O 3.39Å; G72-D141 WeakPolarHBondContact O-CB 3.46Å; G74-D141 WeakPolarHBondContact CA-OD2 3.27Å; G74-D141 PolarHBondContact N-OD2 3.17Å; R75-D141 PolarHBondContact N-OD2 2.94Å; R75-D141 PolarHBondContact O-N 2.85Å; F95-D141 HydrophobicContact CE1-CB 4.21Å; D141-R169 WeakPolarHBondContact OD1-CD 3.45Å; D141-R169 IonicContact OD1-NH1 3.18Å; D141-R169 IonicContact OD2-NH1 3.76Å; D141-R169 PolarHBondContact OD2-NH1 3.4Å; D141-G172 CarbonylContact O-C 3.59Å; D141-G172 WeakPolarHBondContact O-CA 3.43Å; D141-L173 PolarHBondContact O-N 2.95Å
142	I	98.8	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.1	172.1	-155.9	163.4	0	0	0	112.6	L60 R75 A76 L77 L91 F95 W144 L173 V175	L60-I142 HydrophobicContact CD1-CD1 4.25Å; L60-I142 HydrophobicContact CD2-CD1 3.25Å; L60-I142 HydrophobicContact CG-CD1 4.41Å; R75-I142 PolarHBondContact O-N 3.28Å; A76-I142 CarbonylContact C-O 3.57Å; A76-I142 VanDerWaalsContact CA-O 3.31Å; A76-I142 WeakPolarHBondContact CA-O 3.47Å; A76-I142 HydrophobicContact CB-CG2 3.37Å; L77-I142 PolarHBondContact N-O 3.06Å; L91-I142 HydrophobicContact CD2-CG2 4.37Å; F95-I142 HydrophobicContact CD1-CG2 4.27Å; F95-I142 HydrophobicContact CD2-CG2 4.3Å; F95-I142 HydrophobicContact CE1-CB 4Å; F95-I142 HydrophobicContact CE1-CG2 3.58Å; F95-I142 HydrophobicContact CE2-CG2 3.63Å; F95-I142 HydrophobicContact CZ-CB 3.74Å; F95-I142 HydrophobicContact CZ-CD1 4.16Å; F95-I142 HydrophobicContact CZ-CG2 3.22Å; I142-W144 HydrophobicContact CD1-CE3 4.37Å; I142-L173 CarbonylContact C-O 3.58Å; I142-L173 VanDerWaalsContact CA-O 3.29Å; I142-L173 WeakPolarHBondContact CA-O 3.39Å; I142-L173 HydrophobicContact CD1-CD2 4.45Å; I142-L173 HydrophobicContact CG1-CB 4.35Å; I142-L173 WeakPolarHBondContact CG1-O 3.13Å; I142-V175 HydrophobicContact CD1-CG2 3.94Å; I142-V175 HydrophobicContact CG1-CG2 4.33Å
143	I	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.5	166.9	-60.4	173.2	0	0	0	107	L77 Y140 I145 C164 A167 L168 L173 I174 V175	L77-I143 HydrophobicContact CB-CG1 4.19Å; L77-I143 HydrophobicContact CB-CG2 4.4Å; L77-I143 HydrophobicContact CD2-CG1 4.35Å; L77-I143 HydrophobicContact CD2-CG2 4.03Å; L77-I143 HydrophobicContact CG-CG2 4.49Å; Y140-I143 HydrophobicContact CD2-CD1 4.28Å; Y140-I143 HydrophobicContact CD2-CG1 4.24Å; Y140-I143 HydrophobicContact CG-CG1 4.17Å; I143-I145 HydrophobicContact CG2-CD1 4.29Å; I143-I145 HydrophobicContact CG2-CG1 4.04Å; I143-C164 HydrophobicContact CD1-CB 3.67Å; I143-C164 WeakPolarHBondContact CD1-O 3.41Å; I143-A167 HydrophobicContact CD1-CB 4.15Å; I143-L168 HydrophobicContact CD1-CD2 3.87Å; I143-L168 HydrophobicContact CD1-CG 4.48Å; I143-L168 HydrophobicContact CG1-CD2 4.02Å; I143-L173 PolarHBondContact N-O 2.93Å; I143-I174 HydrophobicContact CB-CG1 4.2Å; I143-I174 HydrophobicContact CD1-CG1 4.41Å; I143-I174 CarbonylContact O-C 3.53Å; I143-I174 WeakPolarHBondContact O-CA 3.48Å; I143-V175 PolarHBondContact O-N 3.46Å
144	W	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.5	-177.5	-171	-88	0	0	0	109.7	S56 L60 L77 C79 I86 L90 L91 I142 V175 K177 T230	S56-W144 WeakPolarHBondContact OG-CZ2 3.16Å; L60-W144 HydrophobicContact CD1-CE3 4.27Å; L60-W144 HydrophobicContact CD1-CZ3 3.98Å; L60-W144 HydrophobicContact CD2-CE3 4.22Å; L60-W144 HydrophobicContact CD2-CZ3 3.72Å; L60-W144 HydrophobicContact CG-CZ3 3.83Å; L77-W144 PolarHBondContact O-N 2.72Å; C79-W144 WeakPolarHBondContact CB-O 3.47Å; C79-W144 PolarHBondContact N-O 3.33Å; I86-W144 VanDerWaalsContact CG2-CD1 3.43Å; I86-W144 HydrophobicContact CG2-CG 4.08Å; L90-W144 HydrophobicContact CD2-CD2 4.08Å; L90-W144 HydrophobicContact CD2-CE3 4.19Å; L90-W144 HydrophobicContact CD2-CH2 3.93Å; L90-W144 HydrophobicContact CD2-CZ2 3.77Å; L90-W144 HydrophobicContact CD2-CZ3 4.12Å; L91-W144 HydrophobicContact CD1-CB 4.22Å; L91-W144 HydrophobicContact CD2-CB 4.29Å; L91-W144 HydrophobicContact CD2-CG 4.48Å; I142-W144 HydrophobicContact CD1-CE3 4.37Å; W144-V175 HydrophobicContact CD2-CB 4.37Å; W144-V175 HydrophobicContact CD2-CG1 4.43Å; W144-V175 HydrophobicContact CE3-CB 3.61Å; W144-V175 HydrophobicContact CE3-CG1 3.74Å; W144-V175 HydrophobicContact CE3-CG2 4.08Å; W144-V175 HydrophobicContact CH2-CG1 3.79Å; W144-V175 HydrophobicContact CZ2-CG1 4.49Å; W144-V175 HydrophobicContact CZ3-CB 3.75Å; W144-V175 HydrophobicContact CZ3-CG1 3.38Å; W144-V175 HydrophobicContact CZ3-CG2 4.05Å; W144-K177 HydrophobicContact CZ2-CB 4.13Å; W144-K177 HydrophobicContact CZ2-CD 3.99Å; W144-T230 HydrophobicContact CH2-CG2 4.37Å
145	I	98.9	Very high	98.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.9	-175.3	-50.4	169.8	0	0	0	106.7	C79 I143 V148 I149 F160 L161 I174 V175 I176 K177	C79-I145 HydrophobicContact CB-CB 4.44Å; C79-I145 HydrophobicContact CB-CG1 4.05Å; C79-I145 HydrophobicContact CB-CG2 4.44Å; I143-I145 HydrophobicContact CG2-CD1 4.29Å; I143-I145 HydrophobicContact CG2-CG1 4.04Å; I145-V148 HydrophobicContact CG2-CG1 3.44Å; I145-V148 VanDerWaalsContact CG2-CG1 3.44Å; I145-I149 HydrophobicContact CG2-CG2 3.67Å; I145-F160 HydrophobicContact CD1-CD1 4.46Å; I145-F160 HydrophobicContact CD1-CE1 3.82Å; I145-F160 HydrophobicContact CG1-CE1 4.31Å; I145-L161 HydrophobicContact CD1-CD2 3.91Å; I145-I174 HydrophobicContact CD1-CG2 3.66Å; I145-I174 HydrophobicContact CG1-CG2 4.47Å; I145-V175 PolarHBondContact N-O 2.99Å; I145-I176 HydrophobicContact CB-CG1 4.46Å; I145-I176 HydrophobicContact CD1-CG1 4.37Å; I145-I176 CarbonylContact O-C 3.59Å; I145-I176 WeakPolarHBondContact O-CA 3.48Å; I145-K177 PolarHBondContact O-N 2.6Å
146	Q	98.9	Very high	98.6	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.7	-174.5	171.9	164.3	3.4	0	0	112.5	D52 I86 V148 K177	D52-Q146 VanDerWaalsContact CG-NE2 3.35Å; D52-Q146 PolarHBondContact OD1-NE2 2.9Å; D52-Q146 PolarHBondContact OD2-NE2 3.09Å; I86-Q146 VanDerWaalsContact CD1-OE1 3.23Å; Q146-V148 VanDerWaalsContact C-N 3.29Å; Q146-V148 PolarHBondContact O-N 3.3Å; Q146-K177 WeakPolarHBondContact CA-O 3.43Å; Q146-K177 HydrophobicContact CB-CB 4.2Å; Q146-K177 HydrophobicContact CG-CB 4.16Å; Q146-K177 WeakPolarHBondContact CG-O 3.43Å
147	W	98.7	Very high	98.6	Very high	55 Å²	55	28 Å²	28	21%	0.208	15%	0.148	C	C	.	.	S	Bend	trans	49.2	49.2	-179.3	-65	-49.4	0	0	0	113.2	L42 I48 D52 K177 D178 N179 F221 V228	L42-W147 HydrophobicContact CD2-CE3 3.95Å; L42-W147 HydrophobicContact CD2-CH2 3.76Å; L42-W147 HydrophobicContact CD2-CZ3 3.21Å; I48-W147 HydrophobicContact CD1-CH2 4.29Å; I48-W147 HydrophobicContact CD1-CZ2 4.5Å; D52-W147 HydrophobicContact CB-CH2 4.36Å; W147-K177 PolarHBondContact N-O 3.41Å; W147-D178 VanDerWaalsContact CA-OD2 3.22Å; W147-D178 WeakPolarHBondContact CA-OD2 3.36Å; W147-D178 PolarHBondContact N-OD2 3.43Å; W147-N179 PolarHBondContact NE1-OD1 3.35Å; W147-N179 VanDerWaalsContact NE1-OD1 3.09Å; W147-F221 HydrophobicContact CZ2-CE2 4.2Å; W147-V228 HydrophobicContact CZ2-CG2 4.44Å
148	V	98.8	Very high	98.6	Very high	20 Å²	20	23.9 Å²	23.9	12%	0.121	12%	0.121	C	C	.	.			trans	-147.4	-12.9	-179.1	73.6	0	0	0	0	112.7	L130 I145 Q146 G150 H151 D178	L130-V148 HydrophobicContact CD1-CB 4.46Å; L130-V148 HydrophobicContact CD1-CG1 3.73Å; L130-V148 HydrophobicContact CD1-CG2 3.85Å; I145-V148 HydrophobicContact CG2-CG1 3.44Å; I145-V148 VanDerWaalsContact CG2-CG1 3.44Å; Q146-V148 VanDerWaalsContact C-N 3.29Å; Q146-V148 PolarHBondContact O-N 3.3Å; V148-G150 PolarHBondContact O-N 2.86Å; V148-H151 PolarHBondContact O-N 2.83Å; V148-H151 VanDerWaalsContact O-N 3.08Å; V148-D178 PolarHBondContact N-OD2 2.95Å
149	I	98.8	Very high	98.7	Very high	6 Å²	6	20 Å²	20	3%	0.031	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-67.9	-23.4	179.5	80.5	179.6	0	0	0	111.5	I145 H151 L152 L157 I176 D178 R196 V201	I145-I149 HydrophobicContact CG2-CG2 3.67Å; I149-H151 PolarHBondContact O-N 2.88Å; I149-L152 PolarHBondContact O-N 2.71Å; I149-L157 HydrophobicContact CB-CD1 4.06Å; I149-L157 HydrophobicContact CB-CD2 4.1Å; I149-L157 HydrophobicContact CG2-CD1 4.08Å; I149-I176 HydrophobicContact CD1-CG2 3.87Å; I149-I176 HydrophobicContact CG2-CG2 3.99Å; I149-D178 HydrophobicContact CD1-CB 3.85Å; I149-D178 HydrophobicContact CG1-CB 3.96Å; I149-D178 WeakPolarHBondContact CG1-OD2 3.26Å; I149-D178 PolarHBondContact N-OD2 2.59Å; I149-R196 PolarHBondContact O-NH1 3.35Å; I149-V201 HydrophobicContact CD1-CG1 4.35Å; I149-V201 HydrophobicContact CD1-CG2 4.15Å
150	G	98.4	Very high	98.7	Very high	7 Å²	7	18.6 Å²	18.6	7%	0.072	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-65.4	-23.5	174.2	0	0	0	0	0	113.6	V148 L152 S193 V194	V148-G150 PolarHBondContact O-N 2.86Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 3.38Å; G150-S193 WeakPolarHBondContact O-CA 3.29Å; G150-V194 WeakPolarHBondContact CA-O 3.45Å; G150-V194 PolarHBondContact O-N 3.03Å
151	H	98.4	Very high	98.7	Very high	26 Å²	26	18.5 Å²	18.5	12%	0.12	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-89.6	10.5	176	-63.6	-65.4	0	0	0	113.3	Y24 W31 V148 I149 D191 S192	Y24-H151 WeakPolarHBondContact CE1-O 3.06Å; W31-H151 AromaticContact CE2-NE2 3.82Å; W31-H151 AromaticContact CZ2-NE2 3.94Å; W31-H151 AromaticContact NE1-CD2 3.92Å; W31-H151 AromaticContact NE1-CE1 3.37Å; W31-H151 PolarHBondContact NE1-CE1 3.47Å; W31-H151 AromaticContact NE1-NE2 3.08Å; W31-H151 PolarHBondContact NE1-NE2 2.76Å; V148-H151 PolarHBondContact O-N 2.83Å; V148-H151 VanDerWaalsContact O-N 3.08Å; I149-H151 PolarHBondContact O-N 2.88Å; H151-D191 PolarHBondContact CE1-O 3.04Å; H151-D191 VanDerWaalsContact CE1-O 3.32Å; H151-S192 PolarHBondContact ND1-O 3.15Å
152	L	98.6	Very high	98.7	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	-115.2	137.4	172.4	-67.4	179.1	0	0	0	109.8	Y24 L130 Q131 I149 G150 H156 L157 F160 R196	Y24-L152 HydrophobicContact CE1-CD2 4.17Å; L130-L152 HydrophobicContact CB-CD1 4.03Å; L130-L152 HydrophobicContact CB-CD2 4.13Å; Q131-L152 HydrophobicContact CB-CD2 4.01Å; I149-L152 PolarHBondContact O-N 2.71Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 3.38Å; L152-H156 HydrophobicContact CB-CB 4.49Å; L152-H156 HydrophobicContact CD2-CB 4.24Å; L152-L157 HydrophobicContact CB-CB 4.09Å; L152-L157 HydrophobicContact CD1-CB 4.4Å; L152-L157 HydrophobicContact CD1-CD1 4.12Å; L152-F160 HydrophobicContact CD1-CB 4.31Å; L152-F160 HydrophobicContact CD1-CD1 4.13Å; L152-F160 HydrophobicContact CD1-CG 4.45Å; L152-R196 PolarHBondContact O-NH2 3.1Å
153	T	97.9	Very high	98.7	Very high	21 Å²	21	26.3 Å²	26.3	13%	0.129	13%	0.128	C	C	.	.			trans	-60	157.9	163	65.9	0	0	0	0	110.2	K20 F23 Y24 D155 H156 L157	K20-T153 HydrophobicContact CG-CG2 4.42Å; F23-T153 HydrophobicContact CD1-CG2 4.15Å; F23-T153 HydrophobicContact CE1-CG2 4.22Å; Y24-T153 HydrophobicContact CE2-CG2 4.16Å; Y24-T153 PolarHBondContact OH-N 3.29Å; Y24-T153 VanDerWaalsContact OH-N 3.09Å; T153-D155 VanDerWaalsContact C-N 3.26Å; T153-D155 PolarHBondContact O-N 3.21Å; T153-H156 PolarHBondContact O-N 3.49Å; T153-H156 VanDerWaalsContact O-N 3.13Å; T153-H156 WeakPolarHBondContact OG1-CB 3.48Å; T153-H156 PolarHBondContact OG1-N 3.16Å; T153-L157 PolarHBondContact O-N 3.18Å
154	D	98.4	Very high	98.7	Very high	41 Å²	41	26.3 Å²	26.3	22%	0.219	13%	0.128	C	C	.	.	H	α-helix	trans	-54	-42.8	180	-79.9	16.4	0	0	0	112.7	L157 V158 R196 L204	D154-L157 PolarHBondContact O-N 3.25Å; D154-V158 VanDerWaalsContact O-CG2 3.29Å; D154-V158 WeakPolarHBondContact O-CG2 3.26Å; D154-V158 PolarHBondContact O-N 3.45Å; D154-R196 IonicContact OD1-CZ 2.62Å; D154-R196 VanDerWaalsContact OD1-CZ 3.22Å; D154-R196 IonicContact OD1-NE 3.38Å; D154-R196 PolarHBondContact OD1-NE 3.13Å; D154-R196 IonicContact OD1-NH2 3.98Å; D154-R196 PolarHBondContact OD1-NH2 3.29Å; D154-L204 HydrophobicContact CB-CD1 4.37Å; D154-L204 HydrophobicContact CB-CD2 3.8Å
155	D	98.3	Very high	98.7	Very high	89 Å²	89	29.8 Å²	29.8	48%	0.476	14%	0.144	S	C	.	.	H	α-helix	trans	-70.3	-38.5	-179.6	-69	-23.8	0	0	0	112.1	T153 V158 A159 R207	T153-D155 VanDerWaalsContact C-N 3.26Å; T153-D155 PolarHBondContact O-N 3.21Å; D155-V158 PolarHBondContact O-N 3.39Å; D155-A159 VanDerWaalsContact O-CB 3.27Å; D155-A159 WeakPolarHBondContact O-CB 3.38Å; D155-A159 PolarHBondContact O-N 2.78Å; D155-R207 IonicContact OD1-CZ 2.76Å; D155-R207 IonicContact OD1-NH2 2.71Å; D155-R207 PolarHBondContact OD1-NH2 2.83Å
156	H	98.7	Very high	98.7	Very high	61 Å²	61	37 Å²	37	28%	0.282	18%	0.175	S	C	.	.	H	α-helix	trans	-70.3	-35.3	175.1	-72.9	164	0	0	0	112.3	Y24 Q131 L152 T153 A159 F160	Y24-H156 AromaticContact CE2-CE1 3.94Å; Y24-H156 AromaticContact CE2-ND1 3.54Å; Y24-H156 AromaticContact CZ-ND1 3.41Å; Y24-H156 PolarHBondContact OH-ND1 2.92Å; Q131-H156 HydrophobicContact CB-CB 4.03Å; Q131-H156 WeakPolarHBondContact CB-ND1 3.46Å; L152-H156 HydrophobicContact CB-CB 4.49Å; L152-H156 HydrophobicContact CD2-CB 4.24Å; T153-H156 PolarHBondContact O-N 3.49Å; T153-H156 VanDerWaalsContact O-N 3.13Å; T153-H156 WeakPolarHBondContact OG1-CB 3.48Å; T153-H156 PolarHBondContact OG1-N 3.16Å; H156-A159 PolarHBondContact O-N 2.88Å; H156-F160 WeakPolarHBondContact O-CB 3.22Å; H156-F160 PolarHBondContact O-N 3.21Å
157	L	98.9	Very high	98.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-47.2	172.8	179.9	58.2	0	0	0	110.9	I149 L152 T153 D154 A159 F160 L161 L204	I149-L157 HydrophobicContact CB-CD1 4.06Å; I149-L157 HydrophobicContact CB-CD2 4.1Å; I149-L157 HydrophobicContact CG2-CD1 4.08Å; L152-L157 HydrophobicContact CB-CB 4.09Å; L152-L157 HydrophobicContact CD1-CB 4.4Å; L152-L157 HydrophobicContact CD1-CD1 4.12Å; T153-L157 PolarHBondContact O-N 3.18Å; D154-L157 PolarHBondContact O-N 3.25Å; L157-A159 PolarHBondContact O-N 3.36Å; L157-F160 PolarHBondContact O-N 3.04Å; L157-L161 HydrophobicContact CD1-CD1 4.1Å; L157-L161 HydrophobicContact CD1-CG 4.07Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.45Å; L157-L161 PolarHBondContact O-N 3.41Å; L157-L204 HydrophobicContact CD2-CD1 3.93Å
158	V	98.9	Very high	98.6	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-45.4	176.1	170.1	0	0	0	0	111.3	D154 D155 R162 L204 R207 A208	D154-V158 VanDerWaalsContact O-CG2 3.29Å; D154-V158 WeakPolarHBondContact O-CG2 3.26Å; D154-V158 PolarHBondContact O-N 3.45Å; D155-V158 PolarHBondContact O-N 3.39Å; V158-R162 WeakPolarHBondContact O-CG 3.5Å; V158-R162 PolarHBondContact O-N 2.72Å; V158-R162 VanDerWaalsContact O-N 3.12Å; V158-L204 HydrophobicContact CG2-CB 4.22Å; V158-L204 HydrophobicContact CG2-CD2 3.95Å; V158-R207 HydrophobicContact CG1-CB 4.22Å; V158-R207 HydrophobicContact CG2-CB 3.88Å; V158-A208 HydrophobicContact CG1-CB 4.26Å
159	A	98.9	Very high	98.6	Very high	31 Å²	31	38.4 Å²	38.4	26%	0.256	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-42.8	178.6	0	0	0	0	0	111.9	D155 H156 L157 R162 R163	D155-A159 VanDerWaalsContact O-CB 3.27Å; D155-A159 WeakPolarHBondContact O-CB 3.38Å; D155-A159 PolarHBondContact O-N 2.78Å; H156-A159 PolarHBondContact O-N 2.88Å; L157-A159 PolarHBondContact O-N 3.36Å; A159-R162 PolarHBondContact O-N 3.46Å; A159-R163 WeakPolarHBondContact O-CG 3.38Å; A159-R163 PolarHBondContact O-N 3.09Å; A159-R163 VanDerWaalsContact O-N 3.15Å
160	F	98.9	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-47.7	178	178.6	-121.3	0	0	0	111.5	C79 L130 F133 I145 L152 H156 L157 R162 R163 C164	C79-F160 HydrophobicContact CB-CZ 4.46Å; L130-F160 HydrophobicContact CB-CD1 4.36Å; L130-F160 HydrophobicContact CB-CD2 4.32Å; L130-F160 HydrophobicContact CB-CE1 4.29Å; L130-F160 HydrophobicContact CB-CE2 4.28Å; L130-F160 HydrophobicContact CB-CG 4.37Å; L130-F160 HydrophobicContact CB-CZ 4.27Å; L130-F160 HydrophobicContact CD1-CE1 3.97Å; L130-F160 HydrophobicContact CD1-CZ 4.26Å; L130-F160 HydrophobicContact CD2-CE1 4.32Å; L130-F160 HydrophobicContact CD2-CE2 4.11Å; L130-F160 HydrophobicContact CD2-CZ 3.76Å; L130-F160 HydrophobicContact CG-CE1 4.43Å; L130-F160 HydrophobicContact CG-CZ 4.32Å; L130-F160 VanDerWaalsContact O-CD2 3.26Å; L130-F160 WeakPolarHBondContact O-CD2 3.41Å; F133-F160 HydrophobicContact CD1-CE2 4.1Å; I145-F160 HydrophobicContact CD1-CD1 4.46Å; I145-F160 HydrophobicContact CD1-CE1 3.82Å; I145-F160 HydrophobicContact CG1-CE1 4.31Å; L152-F160 HydrophobicContact CD1-CB 4.31Å; L152-F160 HydrophobicContact CD1-CD1 4.13Å; L152-F160 HydrophobicContact CD1-CG 4.45Å; H156-F160 WeakPolarHBondContact O-CB 3.22Å; H156-F160 PolarHBondContact O-N 3.21Å; L157-F160 PolarHBondContact O-N 3.04Å; F160-R162 VanDerWaalsContact C-N 3.29Å; F160-R162 PolarHBondContact O-N 2.93Å; F160-R163 CarbonylContact O-C 3.57Å; F160-R163 WeakPolarHBondContact O-CA 3.42Å; F160-R163 WeakPolarHBondContact O-CB 3.37Å; F160-R163 PolarHBondContact O-N 3.49Å; F160-C164 VanDerWaalsContact CE2-SG 3.57Å; F160-C164 WeakPolarHBondContact CZ-SG 3.47Å; F160-C164 PolarHBondContact O-N 3.24Å; F160-C164 PolarHBondContact O-SG 2.98Å; F160-C164 VanDerWaalsContact O-SG 3.36Å
161	L	98.9	Very high	98.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-37.6	177.2	-71.5	177	0	0	0	112.7	I145 L157 R163 C164 Q165 I174 I176 V205 A208 L210 L233	I145-L161 HydrophobicContact CD1-CD2 3.91Å; L157-L161 HydrophobicContact CD1-CD1 4.1Å; L157-L161 HydrophobicContact CD1-CG 4.07Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.45Å; L157-L161 PolarHBondContact O-N 3.41Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.13Å; L161-C164 WeakPolarHBondContact O-CB 3.14Å; L161-C164 PolarHBondContact O-N 2.94Å; L161-Q165 PolarHBondContact O-N 3.16Å; L161-I174 HydrophobicContact CD2-CG2 4.13Å; L161-I176 HydrophobicContact CD1-CD1 4.3Å; L161-I176 HydrophobicContact CD2-CD1 4.14Å; L161-V205 HydrophobicContact CD1-CG2 4.26Å; L161-A208 HydrophobicContact CB-CB 3.71Å; L161-A208 HydrophobicContact CD1-CB 4.3Å; L161-L210 HydrophobicContact CB-CD1 3.91Å; L161-L210 HydrophobicContact CD2-CD1 4.4Å; L161-L233 HydrophobicContact CD2-CD1 4.29Å
162	R	98.8	Very high	98.3	Very high	125 Å²	125	44.2 Å²	44.2	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-36.8	172.5	-74.2	171.3	179.2	167.9	1.7	112.7	V158 A159 F160 R207 A208	V158-R162 WeakPolarHBondContact O-CG 3.5Å; V158-R162 PolarHBondContact O-N 2.72Å; V158-R162 VanDerWaalsContact O-N 3.12Å; A159-R162 PolarHBondContact O-N 3.46Å; F160-R162 VanDerWaalsContact C-N 3.29Å; F160-R162 PolarHBondContact O-N 2.93Å; R162-R207 PolarHBondContact NH2-O 2.62Å; R162-A208 HydrophobicContact CG-CB 4.14Å; R162-A208 VanDerWaalsContact CG-O 3.3Å; R162-A208 WeakPolarHBondContact CG-O 3.48Å
163	R	98.8	Very high	98.3	Very high	52 Å²	52	44 Å²	44	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-69.7	-42.8	174.2	-65.3	-169.6	-61.8	-95.8	9.4	110.9	L130 Q131 F133 P135 A159 F160 L161 Q165 K166 A167	L130-R163 PolarHBondContact O-NH2 3.17Å; Q131-R163 VanDerWaalsContact C-NH2 3.35Å; Q131-R163 PolarHBondContact O-NH2 2.73Å; F133-R163 PolarHBondContact O-NE 3.39Å; F133-R163 PolarHBondContact O-NH2 3.08Å; P135-R163 HydrophobicContact CG-CB 4.47Å; A159-R163 WeakPolarHBondContact O-CG 3.38Å; A159-R163 PolarHBondContact O-N 3.09Å; A159-R163 VanDerWaalsContact O-N 3.15Å; F160-R163 CarbonylContact O-C 3.57Å; F160-R163 WeakPolarHBondContact O-CA 3.42Å; F160-R163 WeakPolarHBondContact O-CB 3.37Å; F160-R163 PolarHBondContact O-N 3.49Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.13Å; R163-Q165 VanDerWaalsContact C-N 3.3Å; R163-Q165 PolarHBondContact O-N 3.21Å; R163-K166 PolarHBondContact O-N 2.95Å; R163-A167 PolarHBondContact O-N 2.85Å
164	C	98.9	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-42.2	174.4	-67	0	0	0	0	112.1	I143 F160 L161 K166 A167 L168 I174	I143-C164 HydrophobicContact CD1-CB 3.67Å; I143-C164 WeakPolarHBondContact CD1-O 3.41Å; F160-C164 VanDerWaalsContact CE2-SG 3.57Å; F160-C164 WeakPolarHBondContact CZ-SG 3.47Å; F160-C164 PolarHBondContact O-N 3.24Å; F160-C164 PolarHBondContact O-SG 2.98Å; F160-C164 VanDerWaalsContact O-SG 3.36Å; L161-C164 WeakPolarHBondContact O-CB 3.14Å; L161-C164 PolarHBondContact O-N 2.94Å; C164-K166 VanDerWaalsContact C-N 3.28Å; C164-K166 PolarHBondContact O-N 3.35Å; C164-A167 WeakPolarHBondContact O-CB 3.24Å; C164-A167 PolarHBondContact O-N 3.12Å; C164-L168 PolarHBondContact O-N 2.76Å; C164-I174 HydrophobicContact CB-CD1 3.53Å; C164-I174 HydrophobicContact CB-CG1 3.97Å
165	Q	98.5	Very high	98.4	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-42.2	177.9	-171.9	-179.7	37.8	0	0	112.1	L161 R163 A167 L168 G209 L210	L161-Q165 PolarHBondContact O-N 3.16Å; R163-Q165 VanDerWaalsContact C-N 3.3Å; R163-Q165 PolarHBondContact O-N 3.21Å; Q165-A167 VanDerWaalsContact C-N 3.25Å; Q165-A167 PolarHBondContact O-N 2.92Å; Q165-L168 PolarHBondContact O-N 2.82Å; Q165-G209 PolarHBondContact NE2-O 3.48Å; Q165-L210 HydrophobicContact CB-CD2 4.12Å; Q165-L210 HydrophobicContact CG-CD2 3.9Å
166	K	98.4	Very high	98.4	Very high	154 Å²	154	37 Å²	37	67%	0.67	18%	0.183	S	C	*	.	H	α-helix	trans	-69.7	-22.5	177.6	-63.5	175.4	-178.1	-178.4	0	113.3	P137 D138 R163 C164	P137-K166 VanDerWaalsContact CA-O 3.3Å; P137-K166 WeakPolarHBondContact CA-O 3.36Å; D138-K166 PolarHBondContact N-O 2.84Å; R163-K166 PolarHBondContact O-N 2.95Å; C164-K166 VanDerWaalsContact C-N 3.28Å; C164-K166 PolarHBondContact O-N 3.35Å
167	A	98.7	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-88.4	-7.3	-179.7	0	0	0	0	0	113.7	P135 E136 R139 Y140 I143 R163 C164 Q165	P135-A167 HydrophobicContact CB-CB 3.57Å; P135-A167 HydrophobicContact CG-CB 3.63Å; E136-A167 WeakPolarHBondContact O-CA 3.24Å; E136-A167 VanDerWaalsContact O-CB 3.23Å; E136-A167 WeakPolarHBondContact O-CB 3.47Å; R139-A167 PolarHBondContact N-O 3.09Å; Y140-A167 HydrophobicContact CD2-CB 4.06Å; Y140-A167 PolarHBondContact N-O 3.01Å; I143-A167 HydrophobicContact CD1-CB 4.15Å; R163-A167 PolarHBondContact O-N 2.85Å; C164-A167 WeakPolarHBondContact O-CB 3.24Å; C164-A167 PolarHBondContact O-N 3.12Å; Q165-A167 VanDerWaalsContact C-N 3.25Å; Q165-A167 PolarHBondContact O-N 2.92Å
168	L	98.6	Very high	98.4	Very high	18 Å²	18	34.7 Å²	34.7	9%	0.094	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.8	176.6	-68.2	-178.4	0	0	0	111.3	Y140 I143 C164 Q165 I174	Y140-L168 WeakPolarHBondContact O-CA 3.17Å; I143-L168 HydrophobicContact CD1-CD2 3.87Å; I143-L168 HydrophobicContact CD1-CG 4.48Å; I143-L168 HydrophobicContact CG1-CD2 4.02Å; C164-L168 PolarHBondContact O-N 2.76Å; Q165-L168 PolarHBondContact O-N 2.82Å; L168-I174 HydrophobicContact CD1-CD1 4.22Å; L168-I174 HydrophobicContact CD1-CG1 4.05Å; L168-I174 HydrophobicContact CD2-CG1 4.16Å; L168-I174 HydrophobicContact CG-CG1 4.31Å
169	R	97.7	Very high	98.4	Very high	94 Å²	94	37.1 Å²	37.1	36%	0.355	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	166.6	162.2	-75.7	177.3	171.2	-179.2	-3.5	111.3	D138 R139 Y140 D141 A171 G172	D138-R169 WeakPolarHBondContact O-CG 3.4Å; D138-R169 PolarHBondContact O-NE 3.01Å; R139-R169 PolarHBondContact O-NE 3.21Å; R139-R169 VanDerWaalsContact O-NE 3.15Å; Y140-R169 PolarHBondContact O-N 2.94Å; D141-R169 WeakPolarHBondContact OD1-CD 3.45Å; D141-R169 IonicContact OD1-NH1 3.18Å; D141-R169 IonicContact OD2-NH1 3.76Å; D141-R169 PolarHBondContact OD2-NH1 3.4Å; R169-A171 PolarHBondContact O-N 3.06Å; R169-G172 WeakPolarHBondContact O-CA 3.49Å; R169-G172 PolarHBondContact O-N 3.42Å
170	P	95.8	Very high	98.3	Very high	115 Å²	115	36.1 Å²	36.1	75%	0.747	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-49.5	133.9	169.4	-28.1	35.8	0	0	0	112.1	G172	P170-G172 PolarHBondContact O-N 3.32Å; P170-G172 VanDerWaalsContact O-N 3.15Å
171	A	95.9	Very high	98.3	Very high	42 Å²	42	36.4 Å²	36.4	35%	0.347	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	15.8	-173.2	0	0	0	0	0	115.5	K70 T71 R169	K70-A171 WeakPolarHBondContact O-CB 3.2Å; T71-A171 WeakPolarHBondContact CB-O 3.33Å; T71-A171 PolarHBondContact OG1-O 3.11Å; R169-A171 PolarHBondContact O-N 3.06Å
172	G	98.1	Very high	98	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	164.9	174	0	0	0	0	0	112.7	D141 R169 P170	D141-G172 CarbonylContact O-C 3.59Å; D141-G172 WeakPolarHBondContact O-CA 3.43Å; R169-G172 WeakPolarHBondContact O-CA 3.49Å; R169-G172 PolarHBondContact O-N 3.42Å; P170-G172 PolarHBondContact O-N 3.32Å; P170-G172 VanDerWaalsContact O-N 3.15Å
173	L	98	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.3	-175.8	-167.3	72.2	0	0	0	111.1	F63 T71 D141 I142 I143 V175 V213 A232 L233 R234	F63-L173 HydrophobicContact CB-CD2 4.04Å; F63-L173 HydrophobicContact CD1-CD2 4.17Å; F63-L173 HydrophobicContact CD2-CD2 3.97Å; F63-L173 HydrophobicContact CG-CD2 3.76Å; T71-L173 HydrophobicContact CG2-CB 4.32Å; D141-L173 PolarHBondContact O-N 2.95Å; I142-L173 CarbonylContact C-O 3.58Å; I142-L173 VanDerWaalsContact CA-O 3.29Å; I142-L173 WeakPolarHBondContact CA-O 3.39Å; I142-L173 HydrophobicContact CD1-CD2 4.45Å; I142-L173 HydrophobicContact CG1-CB 4.35Å; I142-L173 WeakPolarHBondContact CG1-O 3.13Å; I143-L173 PolarHBondContact N-O 2.93Å; L173-V175 HydrophobicContact CD2-CG2 3.58Å; L173-V175 HydrophobicContact CG-CG2 3.98Å; L173-V213 HydrophobicContact CD1-CG2 4.17Å; L173-A232 HydrophobicContact CD1-CB 3.89Å; L173-A232 HydrophobicContact CD2-CB 4.07Å; L173-A232 HydrophobicContact CG-CB 4.34Å; L173-L233 WeakPolarHBondContact CD1-O 3.35Å; L173-R234 HydrophobicContact CD1-CG 3.86Å
174	I	98.9	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.6	161.1	-62.4	156.1	0	0	0	107.1	I143 I145 L161 C164 L168 L210 L233	I143-I174 HydrophobicContact CB-CG1 4.2Å; I143-I174 HydrophobicContact CD1-CG1 4.41Å; I143-I174 CarbonylContact O-C 3.53Å; I143-I174 WeakPolarHBondContact O-CA 3.48Å; I145-I174 HydrophobicContact CD1-CG2 3.66Å; I145-I174 HydrophobicContact CG1-CG2 4.47Å; L161-I174 HydrophobicContact CD2-CG2 4.13Å; C164-I174 HydrophobicContact CB-CD1 3.53Å; C164-I174 HydrophobicContact CB-CG1 3.97Å; L168-I174 HydrophobicContact CD1-CD1 4.22Å; L168-I174 HydrophobicContact CD1-CG1 4.05Å; L168-I174 HydrophobicContact CD2-CG1 4.16Å; L168-I174 HydrophobicContact CG-CG1 4.31Å; I174-L210 HydrophobicContact CD1-CD1 3.76Å; I174-L210 HydrophobicContact CD1-CD2 4.18Å; I174-L233 HydrophobicContact CB-CB 4.15Å; I174-L233 HydrophobicContact CB-CD1 4.32Å; I174-L233 HydrophobicContact CB-CG 4.47Å; I174-L233 HydrophobicContact CG2-CD1 3.96Å; I174-L233 HydrophobicContact CG2-CG 4.49Å; I174-L233 PolarHBondContact N-O 2.75Å; I174-L233 PolarHBondContact O-N 3.35Å
175	V	98.9	Very high	97.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.9	172.2	-177.9	0	0	0	0	109.3	F59 L60 I142 I143 W144 I145 L173 T230 L231	F59-V175 HydrophobicContact CE1-CG1 4.07Å; F59-V175 HydrophobicContact CE1-CG2 4.21Å; L60-V175 HydrophobicContact CD2-CG2 4.22Å; I142-V175 HydrophobicContact CD1-CG2 3.94Å; I142-V175 HydrophobicContact CG1-CG2 4.33Å; I143-V175 PolarHBondContact O-N 3.46Å; W144-V175 HydrophobicContact CD2-CB 4.37Å; W144-V175 HydrophobicContact CD2-CG1 4.43Å; W144-V175 HydrophobicContact CE3-CB 3.61Å; W144-V175 HydrophobicContact CE3-CG1 3.74Å; W144-V175 HydrophobicContact CE3-CG2 4.08Å; W144-V175 HydrophobicContact CH2-CG1 3.79Å; W144-V175 HydrophobicContact CZ2-CG1 4.49Å; W144-V175 HydrophobicContact CZ3-CB 3.75Å; W144-V175 HydrophobicContact CZ3-CG1 3.38Å; W144-V175 HydrophobicContact CZ3-CG2 4.05Å; I145-V175 PolarHBondContact N-O 2.99Å; L173-V175 HydrophobicContact CD2-CG2 3.58Å; L173-V175 HydrophobicContact CG-CG2 3.98Å; V175-T230 HydrophobicContact CG1-CG2 3.54Å; V175-L231 VanDerWaalsContact CA-O 3.31Å; V175-L231 WeakPolarHBondContact CA-O 3.41Å
176	I	98.9	Very high	97.6	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.4	167.5	-65.4	178.5	0	0	0	107.4	I145 I149 L161 D178 V205 T230 L231 L233	I145-I176 HydrophobicContact CB-CG1 4.46Å; I145-I176 HydrophobicContact CD1-CG1 4.37Å; I145-I176 CarbonylContact O-C 3.59Å; I145-I176 WeakPolarHBondContact O-CA 3.48Å; I149-I176 HydrophobicContact CD1-CG2 3.87Å; I149-I176 HydrophobicContact CG2-CG2 3.99Å; L161-I176 HydrophobicContact CD1-CD1 4.3Å; L161-I176 HydrophobicContact CD2-CD1 4.14Å; I176-D178 HydrophobicContact CG2-CB 4.25Å; I176-V205 HydrophobicContact CD1-CG2 4.28Å; I176-T230 CarbonylContact O-C 3.57Å; I176-T230 VanDerWaalsContact O-CA 3.28Å; I176-T230 WeakPolarHBondContact O-CA 3.14Å; I176-L231 PolarHBondContact N-O 2.92Å; I176-L231 PolarHBondContact O-N 2.89Å; I176-L233 HydrophobicContact CD1-CD1 3.75Å; I176-L233 HydrophobicContact CG1-CD1 4.04Å
177	K	98.9	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	104.9	168.7	-172.2	173	-170.6	-172.1	0	109.7	D52 S56 W144 I145 Q146 W147 V228 H229 T230	D52-K177 PolarHBondContact O-NZ 3.15Å; D52-K177 VanDerWaalsContact O-NZ 3.13Å; D52-K177 WeakPolarHBondContact OD1-CE 3.41Å; D52-K177 IonicContact OD1-NZ 2.79Å; D52-K177 PolarHBondContact OD1-NZ 3.09Å; S56-K177 WeakPolarHBondContact OG-CD 3.49Å; S56-K177 PolarHBondContact OG-NZ 3Å; W144-K177 HydrophobicContact CZ2-CB 4.13Å; W144-K177 HydrophobicContact CZ2-CD 3.99Å; I145-K177 PolarHBondContact O-N 2.6Å; Q146-K177 WeakPolarHBondContact CA-O 3.43Å; Q146-K177 HydrophobicContact CB-CB 4.2Å; Q146-K177 HydrophobicContact CG-CB 4.16Å; Q146-K177 WeakPolarHBondContact CG-O 3.43Å; W147-K177 PolarHBondContact N-O 3.41Å; K177-V228 HydrophobicContact CG-CG1 3.87Å; K177-H229 VanDerWaalsContact CA-O 3.28Å; K177-H229 WeakPolarHBondContact CA-O 3.44Å; K177-T230 HydrophobicContact CB-CG2 4.22Å; K177-T230 HydrophobicContact CD-CG2 4.46Å; K177-T230 WeakPolarHBondContact CD-OG1 3.22Å; K177-T230 WeakPolarHBondContact CE-OG1 3.08Å; K177-T230 HydrophobicContact CG-CG2 4.4Å; K177-T230 WeakPolarHBondContact CG-OG1 3.45Å
178	D	98.8	Very high	97.4	Very high	14 Å²	14	45.8 Å²	45.8	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169	-170.9	-135	-55.7	0	0	0	112.9	W147 V148 I149 I176 V228 H229	W147-D178 VanDerWaalsContact CA-OD2 3.22Å; W147-D178 WeakPolarHBondContact CA-OD2 3.36Å; W147-D178 PolarHBondContact N-OD2 3.43Å; V148-D178 PolarHBondContact N-OD2 2.95Å; I149-D178 HydrophobicContact CD1-CB 3.85Å; I149-D178 HydrophobicContact CG1-CB 3.96Å; I149-D178 WeakPolarHBondContact CG1-OD2 3.26Å; I149-D178 PolarHBondContact N-OD2 2.59Å; I176-D178 HydrophobicContact CG2-CB 4.25Å; D178-V228 WeakPolarHBondContact O-CA 3.36Å; D178-H229 PolarHBondContact N-O 2.88Å; D178-H229 PolarHBondContact O-N 3.31Å
179	N	98.5	Very high	97.2	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.2	171.9	-64.4	-24	0	0	0	109.7	W147 Q227 V228	W147-N179 PolarHBondContact NE1-OD1 3.35Å; W147-N179 VanDerWaalsContact NE1-OD1 3.09Å; N179-Q227 CarbonylContact C-O 3.59Å; N179-Q227 WeakPolarHBondContact CA-O 3.38Å; N179-V228 WeakPolarHBondContact OD1-CG2 3.44Å
180	V	98	Very high	97	Very high	10 Å²	10	53 Å²	53	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.9	178.5	174.3	0	0	0	0	108.3	R196 L198 Q227 H229	V180-R196 WeakPolarHBondContact CA-O 3.44Å; V180-L198 HydrophobicContact CG1-CB 3.78Å; V180-L198 HydrophobicContact CG2-CD1 4.29Å; V180-Q227 PolarHBondContact N-O 3.04Å; V180-H229 HydrophobicContact CG2-CB 3.78Å
181	S	97.5	Very high	97	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.042	27%	0.267	C	S	.	.			trans	-74.5	159.5	176	72.3	0	0	0	0	110.4	G184 C195 R196 D197	S181-G184 PolarHBondContact OG-O 3.03Å; S181-C195 PolarHBondContact N-SG 2.75Å; S181-R196 PolarHBondContact N-O 3.31Å; S181-D197 WeakPolarHBondContact OG-CA 3.47Å; S181-D197 PolarHBondContact OG-N 3.3Å
182	Y	94.1	Very high	97.1	Very high	183 Å²	183	47.6 Å²	47.6	72%	0.718	26%	0.255	S	S	*	.	S	Bend	trans	-67.6	-37.4	175.6	-78	-84	0	0	0	112.2
183	E	94.8	Very high	97.1	Very high	166 Å²	166	48.2 Å²	48.2	78%	0.776	26%	0.259	S	S	*	.	S	Bend	trans	-155.3	137.4	-179.2	-174.2	174.9	-168.1	0	0	110.1
184	G	96.6	Very high	97.1	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	27%	0.265	C	S	.	.	S	Bend	trans	67.5	-152	170.8	0	0	0	0	0	114.3	S181 R196 D197	S181-G184 PolarHBondContact OG-O 3.03Å; G184-R196 CarbonylContact O-C 3.48Å; G184-D197 WeakPolarHBondContact CA-OD2 3.37Å; G184-D197 PolarHBondContact N-OD2 2.79Å; G184-D197 PolarHBondContact O-N 3.39Å
185	V	97.4	Very high	97.1	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.1	177.2	-174.6	0	0	0	0	108.1	V194 C195 R196 I200	V185-V194 HydrophobicContact CG1-CB 3.74Å; V185-V194 HydrophobicContact CG1-CG1 4.06Å; V185-V194 HydrophobicContact CG1-CG2 4.27Å; V185-C195 WeakPolarHBondContact CA-O 3.47Å; V185-R196 HydrophobicContact CG1-CG 4.48Å; V185-R196 HydrophobicContact CG2-CG 4.41Å; V185-I200 HydrophobicContact CG2-CD1 3.58Å
186	V	97.7	Very high	97	Very high	52 Å²	52	50 Å²	50	32%	0.315	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.8	178.1	-176.5	0	0	0	0	108.3	V194 C195	V186-V194 WeakPolarHBondContact O-CA 3.14Å; V186-C195 HydrophobicContact CB-CB 4.4Å; V186-C195 PolarHBondContact N-O 3.26Å; V186-C195 PolarHBondContact O-N 2.95Å
187	P	96.2	Very high	97	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.5	174.5	30.4	-33.3	0	0	0	111.4	V16 S193 V194	V16-P187 HydrophobicContact CG1-CB 4.38Å; V16-P187 HydrophobicContact CG1-CG 4.26Å; P187-S193 WeakPolarHBondContact CA-O 3.37Å; P187-V194 HydrophobicContact CB-CG1 4.45Å
188	D	95.4	Very high	97	Very high	69 Å²	69	52.4 Å²	52.4	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.2	167.1	-167.8	-34.3	0	0	0	108.6	V190 S192 S193	D188-V190 VanDerWaalsContact C-N 3.25Å; D188-V190 PolarHBondContact O-N 3.09Å; D188-V190 VanDerWaalsContact OD1-CB 3.24Å; D188-V190 WeakPolarHBondContact OD1-CB 3.13Å; D188-V190 PolarHBondContact OD1-N 3.28Å; D188-S192 WeakPolarHBondContact O-CA 3.33Å; D188-S192 PolarHBondContact O-N 3.45Å; D188-S193 PolarHBondContact N-O 3.34Å; D188-S193 PolarHBondContact O-N 3.32Å; D188-S193 VanDerWaalsContact O-N 3.09Å
189	D	94.7	Very high	96.9	Very high	153 Å²	153	55.9 Å²	55.9	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10	-177.8	-60.7	-36.2	0	0	0	112.7
190	V	94.6	Very high	96.9	Very high	109 Å²	109	54 Å²	54	66%	0.661	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-50	-179	-179.4	0	0	0	0	110.7	Y30 D188	Y30-V190 HydrophobicContact CD2-CG1 4.42Å; Y30-V190 WeakPolarHBondContact CD2-O 3.28Å; Y30-V190 HydrophobicContact CE2-CG1 3.93Å; D188-V190 VanDerWaalsContact C-N 3.25Å; D188-V190 PolarHBondContact O-N 3.09Å; D188-V190 VanDerWaalsContact OD1-CB 3.24Å; D188-V190 WeakPolarHBondContact OD1-CB 3.13Å; D188-V190 PolarHBondContact OD1-N 3.28Å
191	D	95.4	Very high	97	Very high	29 Å²	29	53.8 Å²	53.8	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	3.1	179.3	73.1	0.1	0	0	0	113.4	A27 Y30 H151 S193	A27-D191 WeakPolarHBondContact CA-O 3.3Å; A27-D191 WeakPolarHBondContact CB-O 3.45Å; Y30-D191 HydrophobicContact CD1-CB 3.6Å; Y30-D191 HydrophobicContact CD2-CB 4.18Å; Y30-D191 HydrophobicContact CE1-CB 3.55Å; Y30-D191 HydrophobicContact CE2-CB 4.13Å; Y30-D191 HydrophobicContact CG-CB 3.93Å; H151-D191 PolarHBondContact CE1-O 3.04Å; H151-D191 VanDerWaalsContact CE1-O 3.32Å; D191-S193 WeakPolarHBondContact OD1-CB 3.16Å; D191-S193 PolarHBondContact OD1-N 3.37Å; D191-S193 PolarHBondContact OD1-OG 2.86Å
192	S	97	Very high	97	Very high	15 Å²	15	57.8 Å²	57.8	11%	0.105	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	61.6	-178.6	-169.8	0	0	0	0	111.4	F23 H151 D188	F23-S192 WeakPolarHBondContact CA-OG 3.11Å; F23-S192 WeakPolarHBondContact CE2-O 3.43Å; F23-S192 PolarHBondContact O-OG 2.85Å; H151-S192 PolarHBondContact ND1-O 3.15Å; D188-S192 WeakPolarHBondContact O-CA 3.33Å; D188-S192 PolarHBondContact O-N 3.45Å
193	S	98.1	Very high	97.3	Very high	18 Å²	18	55.9 Å²	55.9	13%	0.126	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	173.4	179.5	77.9	0	0	0	0	112.2	G150 P187 D188 D191	G150-S193 WeakPolarHBondContact O-CA 3.29Å; P187-S193 WeakPolarHBondContact CA-O 3.37Å; D188-S193 PolarHBondContact N-O 3.34Å; D188-S193 PolarHBondContact O-N 3.32Å; D188-S193 VanDerWaalsContact O-N 3.09Å; D191-S193 WeakPolarHBondContact OD1-CB 3.16Å; D191-S193 PolarHBondContact OD1-N 3.37Å; D191-S193 PolarHBondContact OD1-OG 2.86Å
194	V	98.1	Very high	97.5	Very high	20 Å²	20	48.1 Å²	48.1	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.1	171.2	-59.7	0	0	0	0	111.6	F23 G150 V185 V186 P187 R196	F23-V194 HydrophobicContact CE2-CG1 4.44Å; G150-V194 WeakPolarHBondContact CA-O 3.45Å; G150-V194 PolarHBondContact O-N 3.03Å; V185-V194 HydrophobicContact CG1-CB 3.74Å; V185-V194 HydrophobicContact CG1-CG1 4.06Å; V185-V194 HydrophobicContact CG1-CG2 4.27Å; V186-V194 WeakPolarHBondContact O-CA 3.14Å; P187-V194 HydrophobicContact CB-CG1 4.45Å; V194-R196 HydrophobicContact CG2-CG 4.3Å; V194-R196 VanDerWaalsContact CG2-CZ 3.49Å
195	C	98.4	Very high	97.6	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.088	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.4	168.7	-169	0	0	0	0	109.1	S181 V185 V186	S181-C195 PolarHBondContact N-SG 2.75Å; V185-C195 WeakPolarHBondContact CA-O 3.47Å; V186-C195 HydrophobicContact CB-CB 4.4Å; V186-C195 PolarHBondContact N-O 3.26Å; V186-C195 PolarHBondContact O-N 2.95Å
196	R	98.6	Very high	97.6	Very high	6 Å²	6	47.2 Å²	47.2	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.6	-176.2	-62.1	179.3	178.4	86	-3.3	110.7	I149 L152 D154 V180 S181 G184 V185 V194 I200 V201	I149-R196 PolarHBondContact O-NH1 3.35Å; L152-R196 PolarHBondContact O-NH2 3.1Å; D154-R196 IonicContact OD1-CZ 2.62Å; D154-R196 VanDerWaalsContact OD1-CZ 3.22Å; D154-R196 IonicContact OD1-NE 3.38Å; D154-R196 PolarHBondContact OD1-NE 3.13Å; D154-R196 IonicContact OD1-NH2 3.98Å; D154-R196 PolarHBondContact OD1-NH2 3.29Å; V180-R196 WeakPolarHBondContact CA-O 3.44Å; S181-R196 PolarHBondContact N-O 3.31Å; G184-R196 CarbonylContact O-C 3.48Å; V185-R196 HydrophobicContact CG1-CG 4.48Å; V185-R196 HydrophobicContact CG2-CG 4.41Å; V194-R196 HydrophobicContact CG2-CG 4.3Å; V194-R196 VanDerWaalsContact CG2-CZ 3.49Å; R196-I200 HydrophobicContact CB-CB 4.32Å; R196-I200 HydrophobicContact CB-CG2 4.19Å; R196-I200 HydrophobicContact CG-CG2 4.27Å; R196-V201 HydrophobicContact CB-CG2 3.94Å
197	D	98.2	Very high	97.7	Very high	28 Å²	28	50 Å²	50	15%	0.15	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-68.2	161.4	168.3	76.2	43.5	0	0	0	110.5	S181 G184 D199 I200 V201	S181-D197 WeakPolarHBondContact OG-CA 3.47Å; S181-D197 PolarHBondContact OG-N 3.3Å; G184-D197 WeakPolarHBondContact CA-OD2 3.37Å; G184-D197 PolarHBondContact N-OD2 2.79Å; G184-D197 PolarHBondContact O-N 3.39Å; D197-D199 VanDerWaalsContact C-N 3.3Å; D197-D199 PolarHBondContact O-N 3.2Å; D197-D199 PolarHBondContact OD1-N 3.27Å; D197-I200 HydrophobicContact CB-CD1 4.48Å; D197-I200 PolarHBondContact O-N 3.05Å; D197-I200 VanDerWaalsContact OD1-CG1 3.28Å; D197-I200 WeakPolarHBondContact OD1-CG1 3.45Å; D197-I200 PolarHBondContact OD1-N 3.47Å; D197-I200 VanDerWaalsContact OD2-CD1 3.32Å; D197-I200 WeakPolarHBondContact OD2-CD1 3.22Å; D197-V201 WeakPolarHBondContact O-CG2 3.25Å; D197-V201 PolarHBondContact O-N 3.1Å; D197-V201 VanDerWaalsContact O-N 3.13Å
198	L	98.3	Very high	97.8	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.12	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-33.8	-172.8	-169.9	53.5	0	0	0	113	V180 V201 R202 E215 H229 L231	V180-L198 HydrophobicContact CG1-CB 3.78Å; V180-L198 HydrophobicContact CG2-CD1 4.29Å; L198-V201 PolarHBondContact O-N 3.23Å; L198-R202 VanDerWaalsContact CD2-NH2 3.3Å; L198-R202 VanDerWaalsContact O-CG 3.27Å; L198-R202 WeakPolarHBondContact O-CG 3.44Å; L198-R202 PolarHBondContact O-N 3.42Å; L198-E215 WeakPolarHBondContact CD2-OE1 3.47Å; L198-H229 HydrophobicContact CD1-CB 4.24Å; L198-L231 HydrophobicContact CD1-CD1 4.12Å; L198-L231 HydrophobicContact CD1-CD2 4.42Å
199	D	98.4	Very high	97.9	Very high	87 Å²	87	46.5 Å²	46.5	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-72.9	-33.8	-179.2	-74	-23.4	0	0	0	111.4	D197 R202 R203	D197-D199 VanDerWaalsContact C-N 3.3Å; D197-D199 PolarHBondContact O-N 3.2Å; D197-D199 PolarHBondContact OD1-N 3.27Å; D199-R202 PolarHBondContact O-N 3.3Å; D199-R202 IonicContact OD1-CZ 3.87Å; D199-R202 IonicContact OD1-NH1 2.77Å; D199-R202 PolarHBondContact OD1-NH1 2.97Å; D199-R203 VanDerWaalsContact C-NH1 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.15Å; D199-R203 VanDerWaalsContact O-CG 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 2.99Å; D199-R203 PolarHBondContact O-NH1 3.29Å
200	I	98.6	Very high	98.1	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.082	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-50.4	169.2	-66	164.1	0	0	0	109.4	V185 R196 D197 R202 R203 L204	V185-I200 HydrophobicContact CG2-CD1 3.58Å; R196-I200 HydrophobicContact CB-CB 4.32Å; R196-I200 HydrophobicContact CB-CG2 4.19Å; R196-I200 HydrophobicContact CG-CG2 4.27Å; D197-I200 HydrophobicContact CB-CD1 4.48Å; D197-I200 PolarHBondContact O-N 3.05Å; D197-I200 VanDerWaalsContact OD1-CG1 3.28Å; D197-I200 WeakPolarHBondContact OD1-CG1 3.45Å; D197-I200 PolarHBondContact OD1-N 3.47Å; D197-I200 VanDerWaalsContact OD2-CD1 3.32Å; D197-I200 WeakPolarHBondContact OD2-CD1 3.22Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.05Å; I200-R203 PolarHBondContact O-N 2.88Å; I200-R203 VanDerWaalsContact O-N 3.08Å; I200-L204 HydrophobicContact CG2-CD1 3.99Å; I200-L204 HydrophobicContact CG2-CG 4.28Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.01Å
201	V	98.8	Very high	98.3	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-46.1	179	177.3	0	0	0	0	110.6	I149 R196 D197 L198 R203 L204 V205 L231	I149-V201 HydrophobicContact CD1-CG1 4.35Å; I149-V201 HydrophobicContact CD1-CG2 4.15Å; R196-V201 HydrophobicContact CB-CG2 3.94Å; D197-V201 WeakPolarHBondContact O-CG2 3.25Å; D197-V201 PolarHBondContact O-N 3.1Å; D197-V201 VanDerWaalsContact O-N 3.13Å; L198-V201 PolarHBondContact O-N 3.23Å; V201-R203 PolarHBondContact O-N 3.33Å; V201-L204 PolarHBondContact O-N 3.21Å; V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.25Å; V201-L231 HydrophobicContact CG1-CD2 4.08Å
202	R	98.8	Very high	98.4	Very high	91 Å²	91	44.5 Å²	44.5	34%	0.343	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-42.1	175.7	-71.1	169	-177.8	154.3	-5.6	112.5	L198 D199 I200 V205 G206 V212 E215	L198-R202 VanDerWaalsContact CD2-NH2 3.3Å; L198-R202 VanDerWaalsContact O-CG 3.27Å; L198-R202 WeakPolarHBondContact O-CG 3.44Å; L198-R202 PolarHBondContact O-N 3.42Å; D199-R202 PolarHBondContact O-N 3.3Å; D199-R202 IonicContact OD1-CZ 3.87Å; D199-R202 IonicContact OD1-NH1 2.77Å; D199-R202 PolarHBondContact OD1-NH1 2.97Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.05Å; R202-V205 PolarHBondContact O-N 2.71Å; R202-G206 PolarHBondContact O-N 2.83Å; R202-V212 HydrophobicContact CG-CG2 4.42Å; R202-E215 IonicContact CZ-OE1 3.83Å; R202-E215 IonicContact CZ-OE2 3.29Å; R202-E215 VanDerWaalsContact CZ-OE2 3.29Å; R202-E215 IonicContact NE-OE2 2.92Å; R202-E215 PolarHBondContact NE-OE2 3.24Å; R202-E215 IonicContact NH2-OE1 2.74Å; R202-E215 PolarHBondContact NH2-OE1 3.09Å; R202-E215 IonicContact NH2-OE2 2.83Å; R202-E215 PolarHBondContact NH2-OE2 3.27Å
203	R	98.7	Very high	98.5	Very high	143 Å²	143	46.9 Å²	46.9	54%	0.54	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-40.7	175.8	-75.4	-169	-55.7	-86.9	12.9	111.9	D199 I200 V201 G206 R207	D199-R203 VanDerWaalsContact C-NH1 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.15Å; D199-R203 VanDerWaalsContact O-CG 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 2.99Å; D199-R203 PolarHBondContact O-NH1 3.29Å; I200-R203 PolarHBondContact O-N 2.88Å; I200-R203 VanDerWaalsContact O-N 3.08Å; V201-R203 PolarHBondContact O-N 3.33Å; R203-G206 PolarHBondContact O-N 3.17Å; R203-R207 WeakPolarHBondContact O-CG 3.31Å; R203-R207 PolarHBondContact O-N 2.86Å
204	L	98.8	Very high	98.5	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-42.2	176.9	-64.3	176.4	0	0	0	111.6	D154 L157 V158 I200 V201 G206 R207 A208	D154-L204 HydrophobicContact CB-CD1 4.37Å; D154-L204 HydrophobicContact CB-CD2 3.8Å; L157-L204 HydrophobicContact CD2-CD1 3.93Å; V158-L204 HydrophobicContact CG2-CB 4.22Å; V158-L204 HydrophobicContact CG2-CD2 3.95Å; I200-L204 HydrophobicContact CG2-CD1 3.99Å; I200-L204 HydrophobicContact CG2-CG 4.28Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.01Å; V201-L204 PolarHBondContact O-N 3.21Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 3.32Å; L204-R207 WeakPolarHBondContact O-CB 3.44Å; L204-R207 PolarHBondContact O-N 3.39Å; L204-A208 PolarHBondContact O-N 3.39Å
205	V	98.8	Very high	98.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-47.2	171	167.9	0	0	0	0	110.9	L161 I176 V201 R202 R207 A208 G209 L210 V212 L233	L161-V205 HydrophobicContact CD1-CG2 4.26Å; I176-V205 HydrophobicContact CD1-CG2 4.28Å; V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.25Å; R202-V205 PolarHBondContact O-N 2.71Å; V205-R207 PolarHBondContact O-N 2.9Å; V205-A208 WeakPolarHBondContact O-CB 3.24Å; V205-A208 PolarHBondContact O-N 3.41Å; V205-A208 VanDerWaalsContact O-N 3.1Å; V205-G209 PolarHBondContact O-N 2.94Å; V205-L210 HydrophobicContact CG1-CB 3.75Å; V205-L210 PolarHBondContact O-N 3.49Å; V205-V212 HydrophobicContact CG1-CG2 4.05Å; V205-L233 HydrophobicContact CG1-CD1 4.21Å; V205-L233 HydrophobicContact CG1-CD2 3.81Å; V205-L233 HydrophobicContact CG2-CD1 3.83Å; V205-L233 HydrophobicContact CG2-CD2 4.01Å
206	G	98.7	Very high	98.5	Very high	46 Å²	46	52.8 Å²	52.8	47%	0.474	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-42.1	176.6	0	0	0	0	0	113.2	R202 R203 L204 A208 G209	R202-G206 PolarHBondContact O-N 2.83Å; R203-G206 PolarHBondContact O-N 3.17Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 3.32Å; G206-A208 PolarHBondContact O-N 3.46Å; G206-G209 PolarHBondContact O-N 3.3Å
207	R	98.7	Very high	98.5	Very high	111 Å²	111	56.8 Å²	56.8	42%	0.419	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-30.4	173.1	-76.1	171.7	61.5	-163.2	-2.1	112.2	D155 V158 R162 R203 L204 V205 G209	D155-R207 IonicContact OD1-CZ 2.76Å; D155-R207 IonicContact OD1-NH2 2.71Å; D155-R207 PolarHBondContact OD1-NH2 2.83Å; V158-R207 HydrophobicContact CG1-CB 4.22Å; V158-R207 HydrophobicContact CG2-CB 3.88Å; R162-R207 PolarHBondContact NH2-O 2.62Å; R203-R207 WeakPolarHBondContact O-CG 3.31Å; R203-R207 PolarHBondContact O-N 2.86Å; L204-R207 WeakPolarHBondContact O-CB 3.44Å; L204-R207 PolarHBondContact O-N 3.39Å; V205-R207 PolarHBondContact O-N 2.9Å; R207-G209 PolarHBondContact O-N 3.37Å
208	A	98.6	Very high	98.5	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.025	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.6	174.8	0	0	0	0	0	113.7	V158 L161 R162 L204 V205 G206 L210	V158-A208 HydrophobicContact CG1-CB 4.26Å; L161-A208 HydrophobicContact CB-CB 3.71Å; L161-A208 HydrophobicContact CD1-CB 4.3Å; R162-A208 HydrophobicContact CG-CB 4.14Å; R162-A208 VanDerWaalsContact CG-O 3.3Å; R162-A208 WeakPolarHBondContact CG-O 3.48Å; L204-A208 PolarHBondContact O-N 3.39Å; V205-A208 WeakPolarHBondContact O-CB 3.24Å; V205-A208 PolarHBondContact O-N 3.41Å; V205-A208 VanDerWaalsContact O-N 3.1Å; G206-A208 PolarHBondContact O-N 3.46Å; A208-L210 VanDerWaalsContact C-N 3.34Å; A208-L210 HydrophobicContact CB-CD1 4.38Å
209	G	98.4	Very high	98.3	Very high	54 Å²	54	60.6 Å²	60.6	56%	0.557	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	16.3	-176.6	0	0	0	0	0	113.7	Q165 V205 G206 R207	Q165-G209 PolarHBondContact NE2-O 3.48Å; V205-G209 PolarHBondContact O-N 2.94Å; G206-G209 PolarHBondContact O-N 3.3Å; R207-G209 PolarHBondContact O-N 3.37Å
210	L	98.5	Very high	98.2	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.315	C	S	.	.			trans	-100.4	159.6	175.4	-70	166	0	0	0	110.3	L161 Q165 I174 V205 A208 L233 R234	L161-L210 HydrophobicContact CB-CD1 3.91Å; L161-L210 HydrophobicContact CD2-CD1 4.4Å; Q165-L210 HydrophobicContact CB-CD2 4.12Å; Q165-L210 HydrophobicContact CG-CD2 3.9Å; I174-L210 HydrophobicContact CD1-CD1 3.76Å; I174-L210 HydrophobicContact CD1-CD2 4.18Å; V205-L210 HydrophobicContact CG1-CB 3.75Å; V205-L210 PolarHBondContact O-N 3.49Å; A208-L210 VanDerWaalsContact C-N 3.34Å; A208-L210 HydrophobicContact CB-CD1 4.38Å; L210-L233 HydrophobicContact CB-CB 4.43Å; L210-L233 HydrophobicContact CD1-CB 4.39Å; L210-L233 HydrophobicContact CD1-CD1 4.13Å; L210-R234 WeakPolarHBondContact CD2-OXT 3.39Å
211	R	98.1	Very high	98	Very high	193 Å²	193	63.8 Å²	63.8	73%	0.728	32%	0.318	S	S	*	.			trans	-120.4	139.6	172.4	-67.8	180	-71.9	-173.2	-3.3	110.1	V213 L233 R234	R211-V213 PolarHBondContact O-N 3.05Å; R211-L233 VanDerWaalsContact O-CA 3.31Å; R211-L233 WeakPolarHBondContact O-CA 3.49Å; R211-R234 PolarHBondContact N-O 3.5Å; R211-R234 PolarHBondContact O-N 2.92Å
212	V	98.7	Very high	97.8	Very high	52 Å²	52	65.5 Å²	65.5	32%	0.315	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	113.2	168.1	-174.9	0	0	0	0	107.7	R202 V205 H214 E215 L231 A232 L233	R202-V212 HydrophobicContact CG-CG2 4.42Å; V205-V212 HydrophobicContact CG1-CG2 4.05Å; V212-H214 WeakPolarHBondContact CG1-O 3.32Å; V212-E215 HydrophobicContact CG1-CB 4.18Å; V212-L231 HydrophobicContact CG1-CB 4.4Å; V212-L231 HydrophobicContact CG1-CD2 4.38Å; V212-L231 HydrophobicContact CG1-CG 4.38Å; V212-L231 HydrophobicContact CG2-CD2 3.96Å; V212-A232 CarbonylContact C-O 3.59Å; V212-A232 WeakPolarHBondContact CA-O 3.44Å; V212-L233 HydrophobicContact CB-CD2 4.43Å; V212-L233 HydrophobicContact CG2-CD2 3.88Å
213	V	98.1	Very high	97.4	Very high	64 Å²	64	70.8 Å²	70.8	39%	0.388	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-18.4	178.2	-63.2	0	0	0	0	112.5	F63 L173 R211 A232 R234	F63-V213 HydrophobicContact CE1-CG2 4.27Å; L173-V213 HydrophobicContact CD1-CG2 4.17Å; R211-V213 PolarHBondContact O-N 3.05Å; V213-A232 HydrophobicContact CG2-CB 3.77Å; V213-A232 VanDerWaalsContact CG2-O 3.3Å; V213-A232 WeakPolarHBondContact CG2-O 3.4Å; V213-A232 PolarHBondContact N-O 3.34Å; V213-R234 HydrophobicContact CG1-CB 3.98Å; V213-R234 HydrophobicContact CG1-CG 4.19Å; V213-R234 HydrophobicContact CG2-CG 4.31Å
214	H	98.5	Very high	97.2	Very high	61 Å²	61	70.8 Å²	70.8	28%	0.282	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	150.6	174.2	-165.2	66.1	0	0	0	110.3	F59 F63 V212 E216 A232	F59-H214 AromaticContact CE2-CD2 3.58Å; F63-H214 HydrophobicContact CE1-CB 4.16Å; F63-H214 HydrophobicContact CE2-CB 4.45Å; F63-H214 HydrophobicContact CZ-CB 3.46Å; F63-H214 VanDerWaalsContact CZ-CB 3.46Å; F63-H214 AromaticContact CZ-CG 3.88Å; V212-H214 WeakPolarHBondContact CG1-O 3.32Å; H214-E216 IonicContact CD2-OE1 2.75Å; H214-E216 IonicContact CE1-OE1 3.67Å; H214-E216 VanDerWaalsContact NE2-CD 3.28Å; H214-E216 VanDerWaalsContact NE2-CG 3.27Å; H214-E216 WeakPolarHBondContact NE2-CG 3.5Å; H214-E216 IonicContact NE2-OE1 3.76Å; H214-E216 PolarHBondContact NE2-OE1 3.3Å; H214-A232 HydrophobicContact CB-CB 4.06Å; H214-A232 PolarHBondContact O-N 3Å
215	E	98.3	Very high	96.9	Very high	53 Å²	53	72.5 Å²	72.5	25%	0.248	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	136.9	-179.6	-175	-172.2	109.7	0	0	110	L198 R202 V212 H229 T230 L231	L198-E215 WeakPolarHBondContact CD2-OE1 3.47Å; R202-E215 IonicContact CZ-OE1 3.83Å; R202-E215 IonicContact CZ-OE2 3.29Å; R202-E215 VanDerWaalsContact CZ-OE2 3.29Å; R202-E215 IonicContact NE-OE2 2.92Å; R202-E215 PolarHBondContact NE-OE2 3.24Å; R202-E215 IonicContact NH2-OE1 2.74Å; R202-E215 PolarHBondContact NH2-OE1 3.09Å; R202-E215 IonicContact NH2-OE2 2.83Å; R202-E215 PolarHBondContact NH2-OE2 3.27Å; V212-E215 HydrophobicContact CG1-CB 4.18Å; E215-H229 IonicContact OE1-ND1 3.43Å; E215-T230 CarbonylContact C-O 3.59Å; E215-T230 VanDerWaalsContact CA-O 3.3Å; E215-T230 WeakPolarHBondContact CA-O 3.34Å; E215-L231 HydrophobicContact CG-CD1 4.25Å; E215-L231 HydrophobicContact CG-CG 4.04Å
216	E	98.3	Very high	96.7	Very high	61 Å²	61	76.8 Å²	76.8	29%	0.285	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.8	174.6	-62.1	-171.4	162.9	0	0	111.4	F59 K62 H214 H229 T230	F59-E216 HydrophobicContact CD2-CB 4.1Å; F59-E216 HydrophobicContact CD2-CG 3.97Å; F59-E216 WeakPolarHBondContact CD2-OE2 3.36Å; F59-E216 HydrophobicContact CE2-CB 4.19Å; F59-E216 HydrophobicContact CE2-CG 4.01Å; K62-E216 WeakPolarHBondContact CE-OE1 3.4Å; K62-E216 IonicContact NZ-OE1 3.33Å; K62-E216 PolarHBondContact NZ-OE1 3.4Å; K62-E216 IonicContact NZ-OE2 2.72Å; K62-E216 PolarHBondContact NZ-OE2 3.41Å; H214-E216 IonicContact CD2-OE1 2.75Å; H214-E216 IonicContact CE1-OE1 3.67Å; H214-E216 VanDerWaalsContact NE2-CD 3.28Å; H214-E216 VanDerWaalsContact NE2-CG 3.27Å; H214-E216 WeakPolarHBondContact NE2-CG 3.5Å; H214-E216 IonicContact NE2-OE1 3.76Å; H214-E216 PolarHBondContact NE2-OE1 3.3Å; E216-H229 CarbonylContact O-C 3.52Å; E216-H229 WeakPolarHBondContact O-CA 3.17Å; E216-T230 PolarHBondContact N-O 3.11Å; E216-T230 PolarHBondContact O-N 3.26Å
217	Q	98.2	Very high	96.6	Very high	90 Å²	90	77.7 Å²	77.7	42%	0.421	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.5	166.1	-172.4	178.7	11.5	0	0	110	Q227	Q217-Q227 VanDerWaalsContact NE2-CD 3.33Å
218	Q	97.9	Very high	96.6	Very high	23 Å²	23	72.5 Å²	72.5	11%	0.107	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68.6	129.1	171.1	176.7	63.9	63.5	0	0	109.9	F221 V228	Q218-F221 HydrophobicContact CG-CD1 3.74Å; Q218-F221 HydrophobicContact CG-CD2 3.86Å; Q218-F221 HydrophobicContact CG-CE1 3.56Å; Q218-F221 HydrophobicContact CG-CE2 3.68Å; Q218-F221 HydrophobicContact CG-CG 3.9Å; Q218-F221 HydrophobicContact CG-CZ 3.53Å; Q218-V228 HydrophobicContact CB-CB 3.93Å; Q218-V228 HydrophobicContact CB-CG1 4.18Å; Q218-V228 WeakPolarHBondContact CB-O 3.41Å; Q218-V228 PolarHBondContact N-O 3.37Å
219	L	95.1	Very high	96.6	Very high	109 Å²	109	73 Å²	73	57%	0.571	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-102.5	164	178.7	-57	-179.6	0	0	0	111.3	F221	L219-F221 VanDerWaalsContact C-N 3.26Å; L219-F221 PolarHBondContact O-N 3.13Å
220	N	95	Very high	96.6	Very high	139 Å²	139	70.7 Å²	70.7	74%	0.743	34%	0.335	S	S	*	.	S	Bend	trans	62.6	27.7	173.6	-48.5	-47.1	0	0	0	114.7	I51	I51-N220 HydrophobicContact CG2-CB 4.3Å
221	F	95.2	Very high	96.6	Very high	31 Å²	31	70.6 Å²	70.6	14%	0.136	34%	0.335	C	S	.	.			trans	-86.5	158.8	165.9	-86.3	15.7	0	0	0	110.9	I48 I51 D52 W147 Q218 L219 I225 V228	I48-F221 HydrophobicContact CB-CD1 4.41Å; I48-F221 HydrophobicContact CB-CE1 4.11Å; I48-F221 HydrophobicContact CB-CZ 4.41Å; I48-F221 HydrophobicContact CD1-CD2 4.2Å; I48-F221 HydrophobicContact CD1-CE1 4.27Å; I48-F221 HydrophobicContact CD1-CE2 3.71Å; I48-F221 HydrophobicContact CD1-CZ 3.75Å; I48-F221 HydrophobicContact CG1-CZ 4.4Å; I51-F221 HydrophobicContact CB-CD1 4.48Å; I51-F221 HydrophobicContact CB-CE1 4.12Å; I51-F221 HydrophobicContact CG2-CD1 3.89Å; I51-F221 HydrophobicContact CG2-CE1 3.79Å; D52-F221 HydrophobicContact CB-CE1 4.33Å; D52-F221 HydrophobicContact CB-CZ 3.94Å; W147-F221 HydrophobicContact CZ2-CE2 4.2Å; Q218-F221 HydrophobicContact CG-CD1 3.74Å; Q218-F221 HydrophobicContact CG-CD2 3.86Å; Q218-F221 HydrophobicContact CG-CE1 3.56Å; Q218-F221 HydrophobicContact CG-CE2 3.68Å; Q218-F221 HydrophobicContact CG-CG 3.9Å; Q218-F221 HydrophobicContact CG-CZ 3.53Å; L219-F221 VanDerWaalsContact C-N 3.26Å; L219-F221 PolarHBondContact O-N 3.13Å; F221-I225 HydrophobicContact CB-CD1 4.06Å; F221-I225 HydrophobicContact CB-CG1 4.46Å; F221-I225 HydrophobicContact CD2-CD1 3.62Å; F221-I225 HydrophobicContact CE2-CD1 4.39Å; F221-I225 HydrophobicContact CG-CD1 4.13Å; F221-V228 HydrophobicContact CD2-CB 4.47Å; F221-V228 HydrophobicContact CD2-CG2 4.1Å; F221-V228 HydrophobicContact CE2-CB 4.22Å; F221-V228 HydrophobicContact CE2-CG2 3.89Å
222	P	94.7	Very high	96.7	Very high	40 Å²	40	61.4 Å²	61.4	26%	0.26	30%	0.3	S	S	.	.			trans	-52.5	148.3	170.5	-21.5	31.9	0	0	0	111.2	I48 E224 I225	I48-P222 HydrophobicContact CG2-CG 3.96Å; P222-E224 VanDerWaalsContact C-N 3.28Å; P222-E224 HydrophobicContact CB-CG 4.16Å; P222-E224 WeakPolarHBondContact CB-OE1 3.38Å; P222-E224 WeakPolarHBondContact CB-OE2 3.3Å; P222-E224 PolarHBondContact O-N 3.39Å; P222-I225 WeakPolarHBondContact O-CG1 3.32Å
223	K	91.1	Very high	96.7	Very high	203 Å²	203	59 Å²	59	88%	0.883	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.6	-173.7	-69	-176.4	178	-179.3	0	112.9
224	E	92.4	Very high	96.4	Very high	142 Å²	142	60.2 Å²	60.2	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.4	-176.2	60.7	-91.2	-146.5	0	0	113.9	P222	P222-E224 VanDerWaalsContact C-N 3.28Å; P222-E224 HydrophobicContact CB-CG 4.16Å; P222-E224 WeakPolarHBondContact CB-OE1 3.38Å; P222-E224 WeakPolarHBondContact CB-OE2 3.3Å; P222-E224 PolarHBondContact O-N 3.39Å
225	I	93.3	Very high	96.3	Very high	39 Å²	39	60.2 Å²	60.2	20%	0.2	28%	0.283	C	S	.	.	S	Bend	trans	-98.3	161.6	177.4	64.6	172.3	0	0	0	111.7	Y45 I48 F221 P222	Y45-I225 HydrophobicContact CD1-CG2 4.18Å; Y45-I225 HydrophobicContact CE1-CG2 3.53Å; Y45-I225 HydrophobicContact CE2-CG2 4.03Å; Y45-I225 VanDerWaalsContact CZ-CG2 3.44Å; I48-I225 HydrophobicContact CD1-CD1 4.22Å; F221-I225 HydrophobicContact CB-CD1 4.06Å; F221-I225 HydrophobicContact CB-CG1 4.46Å; F221-I225 HydrophobicContact CD2-CD1 3.62Å; F221-I225 HydrophobicContact CE2-CD1 4.39Å; F221-I225 HydrophobicContact CG-CD1 4.13Å; P222-I225 WeakPolarHBondContact O-CG1 3.32Å
226	Y	94.9	Very high	96.2	Very high	94 Å²	94	60.6 Å²	60.6	37%	0.369	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-54.4	151.6	173.5	-72.4	-68.7	0	0	0	111.8
227	Q	96.8	Very high	96.1	Very high	65 Å²	65	60.6 Å²	60.6	30%	0.304	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.7	168.4	-58.7	-175.8	6	0	0	108.6	N179 V180 Q217	N179-Q227 CarbonylContact C-O 3.59Å; N179-Q227 WeakPolarHBondContact CA-O 3.38Å; V180-Q227 PolarHBondContact N-O 3.04Å; Q217-Q227 VanDerWaalsContact NE2-CD 3.33Å
228	V	98.4	Very high	96	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	176.3	174.7	0	0	0	0	108.5	W147 K177 D178 N179 Q218 F221	W147-V228 HydrophobicContact CZ2-CG2 4.44Å; K177-V228 HydrophobicContact CG-CG1 3.87Å; D178-V228 WeakPolarHBondContact O-CA 3.36Å; N179-V228 WeakPolarHBondContact OD1-CG2 3.44Å; Q218-V228 HydrophobicContact CB-CB 3.93Å; Q218-V228 HydrophobicContact CB-CG1 4.18Å; Q218-V228 WeakPolarHBondContact CB-O 3.41Å; Q218-V228 PolarHBondContact N-O 3.37Å; F221-V228 HydrophobicContact CD2-CB 4.47Å; F221-V228 HydrophobicContact CD2-CG2 4.1Å; F221-V228 HydrophobicContact CE2-CB 4.22Å; F221-V228 HydrophobicContact CE2-CG2 3.89Å
229	H	98.7	Very high	95.9	Very high	15 Å²	15	61.1 Å²	61.1	7%	0.069	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.7	177.7	-76.4	-118.2	0	0	0	110.6	K177 D178 V180 L198 E215 E216 L231	K177-H229 VanDerWaalsContact CA-O 3.28Å; K177-H229 WeakPolarHBondContact CA-O 3.44Å; D178-H229 PolarHBondContact N-O 2.88Å; D178-H229 PolarHBondContact O-N 3.31Å; V180-H229 HydrophobicContact CG2-CB 3.78Å; L198-H229 HydrophobicContact CD1-CB 4.24Å; E215-H229 IonicContact OE1-ND1 3.43Å; E216-H229 CarbonylContact O-C 3.52Å; E216-H229 WeakPolarHBondContact O-CA 3.17Å; H229-L231 HydrophobicContact CB-CD1 3.89Å
230	T	98.9	Very high	95.9	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121	174.1	-47.6	0	0	0	0	109.2	F59 W144 V175 I176 K177 E215 E216	F59-T230 HydrophobicContact CD1-CG2 3.76Å; F59-T230 HydrophobicContact CD2-CG2 3.69Å; F59-T230 HydrophobicContact CE1-CG2 3.7Å; F59-T230 HydrophobicContact CE2-CG2 3.62Å; F59-T230 WeakPolarHBondContact CE2-O 3.47Å; F59-T230 HydrophobicContact CG-CG2 3.77Å; F59-T230 HydrophobicContact CZ-CG2 3.63Å; W144-T230 HydrophobicContact CH2-CG2 4.37Å; V175-T230 HydrophobicContact CG1-CG2 3.54Å; I176-T230 CarbonylContact O-C 3.57Å; I176-T230 VanDerWaalsContact O-CA 3.28Å; I176-T230 WeakPolarHBondContact O-CA 3.14Å; K177-T230 HydrophobicContact CB-CG2 4.22Å; K177-T230 HydrophobicContact CD-CG2 4.46Å; K177-T230 WeakPolarHBondContact CD-OG1 3.22Å; K177-T230 WeakPolarHBondContact CE-OG1 3.08Å; K177-T230 HydrophobicContact CG-CG2 4.4Å; K177-T230 WeakPolarHBondContact CG-OG1 3.45Å; E215-T230 CarbonylContact C-O 3.59Å; E215-T230 VanDerWaalsContact CA-O 3.3Å; E215-T230 WeakPolarHBondContact CA-O 3.34Å; E216-T230 PolarHBondContact N-O 3.11Å; E216-T230 PolarHBondContact O-N 3.26Å
231	L	98.9	Very high	96	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.1	-178.9	-70.1	73.9	0	0	0	109.5	V175 I176 L198 V201 V212 E215 H229 L233	V175-L231 VanDerWaalsContact CA-O 3.31Å; V175-L231 WeakPolarHBondContact CA-O 3.41Å; I176-L231 PolarHBondContact N-O 2.92Å; I176-L231 PolarHBondContact O-N 2.89Å; L198-L231 HydrophobicContact CD1-CD1 4.12Å; L198-L231 HydrophobicContact CD1-CD2 4.42Å; V201-L231 HydrophobicContact CG1-CD2 4.08Å; V212-L231 HydrophobicContact CG1-CB 4.4Å; V212-L231 HydrophobicContact CG1-CD2 4.38Å; V212-L231 HydrophobicContact CG1-CG 4.38Å; V212-L231 HydrophobicContact CG2-CD2 3.96Å; E215-L231 HydrophobicContact CG-CD1 4.25Å; E215-L231 HydrophobicContact CG-CG 4.04Å; H229-L231 HydrophobicContact CB-CD1 3.89Å; L231-L233 HydrophobicContact CB-CD2 3.88Å
232	A	98.8	Very high	96	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.8	170.4	0	0	0	0	0	109.2	F59 F63 L173 V212 V213 H214	F59-A232 HydrophobicContact CE1-CB 3.86Å; F59-A232 HydrophobicContact CZ-CB 3.67Å; F63-A232 HydrophobicContact CE1-CB 4.09Å; F63-A232 HydrophobicContact CE2-CB 4.08Å; F63-A232 HydrophobicContact CZ-CB 3.73Å; L173-A232 HydrophobicContact CD1-CB 3.89Å; L173-A232 HydrophobicContact CD2-CB 4.07Å; L173-A232 HydrophobicContact CG-CB 4.34Å; V212-A232 CarbonylContact C-O 3.59Å; V212-A232 WeakPolarHBondContact CA-O 3.44Å; V213-A232 HydrophobicContact CG2-CB 3.77Å; V213-A232 VanDerWaalsContact CG2-O 3.3Å; V213-A232 WeakPolarHBondContact CG2-O 3.4Å; V213-A232 PolarHBondContact N-O 3.34Å; H214-A232 HydrophobicContact CB-CB 4.06Å; H214-A232 PolarHBondContact O-N 3Å
233	L	98.6	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.5	-173.3	-38.3	178.2	0	0	0	112.1	L161 L173 I174 I176 V205 L210 R211 V212 L231	L161-L233 HydrophobicContact CD2-CD1 4.29Å; L173-L233 WeakPolarHBondContact CD1-O 3.35Å; I174-L233 HydrophobicContact CB-CB 4.15Å; I174-L233 HydrophobicContact CB-CD1 4.32Å; I174-L233 HydrophobicContact CB-CG 4.47Å; I174-L233 HydrophobicContact CG2-CD1 3.96Å; I174-L233 HydrophobicContact CG2-CG 4.49Å; I174-L233 PolarHBondContact N-O 2.75Å; I174-L233 PolarHBondContact O-N 3.35Å; I176-L233 HydrophobicContact CD1-CD1 3.75Å; I176-L233 HydrophobicContact CG1-CD1 4.04Å; V205-L233 HydrophobicContact CG1-CD1 4.21Å; V205-L233 HydrophobicContact CG1-CD2 3.81Å; V205-L233 HydrophobicContact CG2-CD1 3.83Å; V205-L233 HydrophobicContact CG2-CD2 4.01Å; L210-L233 HydrophobicContact CB-CB 4.43Å; L210-L233 HydrophobicContact CD1-CB 4.39Å; L210-L233 HydrophobicContact CD1-CD1 4.13Å; R211-L233 VanDerWaalsContact O-CA 3.31Å; R211-L233 WeakPolarHBondContact O-CA 3.49Å; V212-L233 HydrophobicContact CB-CD2 4.43Å; V212-L233 HydrophobicContact CG2-CD2 3.88Å; L231-L233 HydrophobicContact CB-CD2 3.88Å
234	R	92.9	Very high	96.6	Very high	91 Å²	91	41.4 Å²	41.4	34%	0.343	18%	0.182	S	C	.	.			trans	-142.1	0	171.5	-67.1	-172.3	174.5	146.4	-8.8	112.3	G69 T71 L173 L210 R211 V213	G69-R234 PolarHBondContact O-NH2 3.41Å; T71-R234 PolarHBondContact OG1-NH2 3.34Å; L173-R234 HydrophobicContact CD1-CG 3.86Å; L210-R234 WeakPolarHBondContact CD2-OXT 3.39Å; R211-R234 PolarHBondContact N-O 3.5Å; R211-R234 PolarHBondContact O-N 2.92Å; V213-R234 HydrophobicContact CG1-CB 3.98Å; V213-R234 HydrophobicContact CG1-CG 4.19Å; V213-R234 HydrophobicContact CG2-CG 4.31Å

Retrieved 234 of 234 residues in 87.1 ms (Link to these results)

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