A0A077Z956_TRITR Loading...

Protein-L-isoaspartate O-methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z956, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	35.6	Very low	244 Å²	244	151.7 Å²	151.7	100%	1.202	83%	0.833	S	S	*	*				0	107.7	0	-100.5	162	152.4	0	0	108.1
2	R	35.1	Very low	35.1	Very low	254 Å²	254	156.8 Å²	156.8	96%	0.958	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.7	120.1	178.6	-75.7	-178.3	176.7	-167	-1.3	108.5
3	L	37.4	Very low	35	Very low	176 Å²	176	155.8 Å²	155.8	92%	0.921	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.8	123.4	177.7	-72.7	154.4	0	0	0	109.3
4	L	35.1	Very low	34.9	Very low	166 Å²	166	161.6 Å²	161.6	87%	0.869	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.9	173.6	-87.4	142	0	0	0	109.8
5	P	41.4	Very low	35.2	Very low	113 Å²	113	155.6 Å²	155.6	73%	0.734	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.4	129.9	179.9	9.1	-0.8	0	0	0	111.6	V7	P5-V7 PolarHBondContact O-N 3.45Å; P5-V7 VanDerWaalsContact O-N 3.13Å
6	S	36.8	Very low	35.7	Very low	119 Å²	119	155.1 Å²	155.1	83%	0.832	80%	0.803	S	S	*	*			trans	-61.9	107.2	172.2	-168.8	0	0	0	0	109.9	C8	S6-C8 PolarHBondContact O-N 2.93Å
7	V	36.8	Very low	36.3	Very low	133 Å²	133	159.3 Å²	159.3	81%	0.806	81%	0.808	S	S	*	*			trans	-72.3	94.7	170.3	179	0	0	0	0	106.8	P5 C9	P5-V7 PolarHBondContact O-N 3.45Å; P5-V7 VanDerWaalsContact O-N 3.13Å; V7-C9 VanDerWaalsContact C-N 3.33Å; V7-C9 PolarHBondContact O-N 2.81Å
8	C	30.4	Very low	36.9	Very low	112 Å²	112	155 Å²	155	76%	0.757	79%	0.791	S	S	*	*			trans	-67.3	95	172.2	-154.7	0	0	0	0	107.8	S6 V10	S6-C8 PolarHBondContact O-N 2.93Å; C8-V10 PolarHBondContact O-N 2.64Å
9	C	30.8	Very low	38	Very low	99 Å²	99	151.2 Å²	151.2	67%	0.669	77%	0.771	S	S	*	*			trans	-70.8	93.8	177.3	-161.6	0	0	0	0	108.3	V7 L11	V7-C9 VanDerWaalsContact C-N 3.33Å; V7-C9 PolarHBondContact O-N 2.81Å; C9-L11 PolarHBondContact O-N 2.91Å
10	V	30.9	Very low	39.2	Very low	107 Å²	107	144.9 Å²	144.9	65%	0.648	74%	0.742	S	S	*	*			trans	-69.6	86	169.9	-175	0	0	0	0	107.3	C8 W12	C8-V10 PolarHBondContact O-N 2.64Å; V10-W12 VanDerWaalsContact C-N 3.28Å; V10-W12 PolarHBondContact O-N 3.21Å
11	L	30.6	Very low	40.7	Very low	146 Å²	146	146 Å²	146	76%	0.764	74%	0.737	S	S	*	*			trans	-68.5	90.9	166.7	-86.1	155.4	0	0	0	107.7	C9 L13	C9-L11 PolarHBondContact O-N 2.91Å; L11-L13 PolarHBondContact O-N 3.03Å
12	W	29.6	Very low	42.2	Very low	212 Å²	212	141.8 Å²	141.8	80%	0.803	71%	0.708	S	S	*	*			trans	-55.3	103.3	166.9	-79.1	74.8	0	0	0	109	V10 R14	V10-W12 VanDerWaalsContact C-N 3.28Å; V10-W12 PolarHBondContact O-N 3.21Å; W12-R14 PolarHBondContact O-N 3.13Å
13	L	33.7	Very low	44.7	Very low	144 Å²	144	129.7 Å²	129.7	75%	0.754	66%	0.663	S	S	*	*			trans	-59.7	82.8	169.1	-81.6	151.4	0	0	0	109.6	L11 A15 F16	L11-L13 PolarHBondContact O-N 3.03Å; L13-A15 PolarHBondContact O-N 2.93Å; L13-F16 HydrophobicContact CD2-CE2 4.29Å
14	R	33.9	Very low	47.2	Very low	238 Å²	238	124.3 Å²	124.3	90%	0.898	63%	0.633	S	S	*	*			trans	-80.1	19.6	172.8	-86.9	-169.2	172.7	-167	-1.7	113.6	W12	W12-R14 PolarHBondContact O-N 3.13Å
15	A	38.7	Very low	49.9	Very low	71 Å²	71	117.1 Å²	117.1	59%	0.587	60%	0.599	S	S	*	*			trans	-117.6	54.7	-170.9	0	0	0	0	0	113.3	L13	L13-A15 PolarHBondContact O-N 2.93Å
16	F	44.1	Very low	52.5	Low	147 Å²	147	116 Å²	116	65%	0.645	60%	0.599	S	S	*	*	S	Bend	trans	-140.1	-4.4	169.3	-73.8	-69	0	0	0	116.1	L13 T18	L13-F16 HydrophobicContact CD2-CE2 4.29Å; F16-T18 VanDerWaalsContact C-N 3.27Å; F16-T18 PolarHBondContact O-N 2.83Å
17	Y	44.8	Very low	55.4	Low	227 Å²	227	113.4 Å²	113.4	89%	0.89	58%	0.576	S	S	*	*			trans	-92.5	38.8	167.7	-65.6	-78.2	0	0	0	111.9	M19	Y17-M19 PolarHBondContact O-N 3.19Å
18	T	48.4	Very low	58.3	Low	82 Å²	82	107.4 Å²	107.4	50%	0.503	54%	0.539	S	S	.	.	S	Bend	trans	-58.4	110	159.7	27.6	0	0	0	0	105.8	F16 A20 N38	F16-T18 VanDerWaalsContact C-N 3.27Å; F16-T18 PolarHBondContact O-N 2.83Å; T18-A20 VanDerWaalsContact C-N 3.29Å; T18-A20 PolarHBondContact O-N 2.95Å; T18-N38 WeakPolarHBondContact CB-O 3.44Å; T18-N38 PolarHBondContact OG1-O 2.82Å
19	M	58	Low	61.6	Low	83 Å²	83	105.5 Å²	105.5	41%	0.409	52%	0.524	S	S	.	.			trans	-47.9	85.2	-164.8	-63.1	173.8	-78.3	0	0	112.1	Y17 W21 R22	Y17-M19 PolarHBondContact O-N 3.19Å; M19-W21 HydrophobicContact CB-CD2 4.48Å; M19-W21 HydrophobicContact CB-CZ2 4.46Å; M19-W21 HydrophobicContact CG-CZ2 4.24Å; M19-W21 PolarHBondContact O-N 2.87Å; M19-W21 HydrophobicContact SD-CZ2 4.42Å; M19-R22 HydrophobicContact CB-CB 4.38Å; M19-R22 HydrophobicContact CB-CG 3.89Å; M19-R22 WeakPolarHBondContact O-CB 3.45Å; M19-R22 PolarHBondContact O-N 3.21Å; M19-R22 PolarHBondContact SD-NE 3.44Å
20	A	61.4	Low	64.8	Low	24 Å²	24	103.7 Å²	103.7	20%	0.198	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-56.6	-40.5	-171.8	0	0	0	0	0	110	T18 R22 S23 I40 H81	T18-A20 VanDerWaalsContact C-N 3.29Å; T18-A20 PolarHBondContact O-N 2.95Å; A20-R22 PolarHBondContact O-N 2.97Å; A20-S23 WeakPolarHBondContact O-CB 3.35Å; A20-S23 PolarHBondContact O-N 2.72Å; A20-S23 PolarHBondContact O-OG 3.36Å; A20-I40 HydrophobicContact CB-CD1 3.95Å; A20-H81 HydrophobicContact CB-CB 4.22Å
21	W	70.1	Confident	68	Low	168 Å²	168	98.6 Å²	98.6	64%	0.636	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-57.7	-6.2	174.9	77.6	72.2	0	0	0	115.2	M19 H24	M19-W21 HydrophobicContact CB-CD2 4.48Å; M19-W21 HydrophobicContact CB-CZ2 4.46Å; M19-W21 HydrophobicContact CG-CZ2 4.24Å; M19-W21 PolarHBondContact O-N 2.87Å; M19-W21 HydrophobicContact SD-CZ2 4.42Å; W21-H24 PolarHBondContact O-CE1 3.41Å; W21-H24 PolarHBondContact O-ND1 2.78Å; W21-H24 PolarHBondContact O-NE2 2.9Å
22	R	79.2	Confident	71.2	Confident	157 Å²	157	91.6 Å²	91.6	59%	0.592	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-92.8	-1.7	170.9	-65	-170.3	-178.4	-129.3	5	113.5	M19 A20 H24	M19-R22 HydrophobicContact CB-CB 4.38Å; M19-R22 HydrophobicContact CB-CG 3.89Å; M19-R22 WeakPolarHBondContact O-CB 3.45Å; M19-R22 PolarHBondContact O-N 3.21Å; M19-R22 PolarHBondContact SD-NE 3.44Å; A20-R22 PolarHBondContact O-N 2.97Å; R22-H24 PolarHBondContact O-N 2.9Å
23	S	85.8	Confident	74.5	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	41%	0.413	C	S	.	.			trans	-79	34.3	-178.3	-70.6	0	0	0	0	113.7	A20 A34 N38 I40	A20-S23 WeakPolarHBondContact O-CB 3.35Å; A20-S23 PolarHBondContact O-N 2.72Å; A20-S23 PolarHBondContact O-OG 3.36Å; S23-A34 PolarHBondContact OG-O 2.84Å; S23-N38 PolarHBondContact OG-ND2 2.83Å; S23-I40 WeakPolarHBondContact OG-CD1 3.49Å
24	H	90.4	Very high	77.5	Confident	62 Å²	62	76.9 Å²	76.9	29%	0.287	38%	0.378	S	S	.	.			trans	-79.9	160.5	177.6	-51.3	-15.1	0	0	0	111.4	W21 R22 A34 Y64 Y65 D66	W21-H24 PolarHBondContact O-CE1 3.41Å; W21-H24 PolarHBondContact O-ND1 2.78Å; W21-H24 PolarHBondContact O-NE2 2.9Å; R22-H24 PolarHBondContact O-N 2.9Å; H24-A34 WeakPolarHBondContact O-CB 3.48Å; H24-Y64 WeakPolarHBondContact CA-O 3.34Å; H24-Y65 AromaticContact CD2-CD1 3.43Å; H24-Y65 VanDerWaalsContact CD2-CD1 3.43Å; H24-Y65 WeakPolarHBondContact CD2-CD1 3.46Å; H24-Y65 AromaticContact CD2-CE1 3.67Å; H24-Y65 AromaticContact NE2-CD1 3.52Å; H24-D66 PolarHBondContact CE1-N 3Å; H24-D66 WeakPolarHBondContact ND1-CA 3.32Å; H24-D66 VanDerWaalsContact ND1-CB 3.25Å; H24-D66 WeakPolarHBondContact ND1-CB 3.42Å; H24-D66 PolarHBondContact ND1-N 3.42Å
25	G	93	Very high	80.6	Confident	16 Å²	16	65.5 Å²	65.5	17%	0.165	34%	0.336	C	S	.	.			trans	-142.1	161.6	173.5	0	0	0	0	0	113.4	N27 Y64	G25-N27 VanDerWaalsContact C-N 3.31Å; G25-Y64 PolarHBondContact N-O 3.09Å; G25-Y64 WeakPolarHBondContact O-CB 2.96Å
26	A	95.2	Very high	83.4	Confident	88 Å²	88	65.1 Å²	65.1	73%	0.727	32%	0.322	S	S	*	.	S	Bend	trans	-76.7	-22.6	172.2	0	0	0	0	0	112.4
27	N	97.7	Very high	85.9	Confident	65 Å²	65	66.4 Å²	66.4	35%	0.348	32%	0.322	S	S	.	.	S	Bend	trans	-146.6	178.5	176.4	56.6	61.7	0	0	0	109.6	G25 T29 D30 M31 Y64	G25-N27 VanDerWaalsContact C-N 3.31Å; N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.32Å; N27-T29 WeakPolarHBondContact OD1-CA 3.5Å; N27-T29 WeakPolarHBondContact OD1-CB 3.4Å; N27-T29 PolarHBondContact OD1-N 3.49Å; N27-T29 VanDerWaalsContact OD1-N 3.08Å; N27-D30 PolarHBondContact ND2-OD2 3.37Å; N27-D30 PolarHBondContact O-N 3.29Å; N27-D30 PolarHBondContact OD1-N 2.9Å; N27-M31 PolarHBondContact O-N 3.22Å; N27-M31 VanDerWaalsContact O-N 3.09Å; N27-Y64 VanDerWaalsContact CA-CD2 3.48Å
28	N	98.4	Very high	88.3	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.043	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-45.2	-179.3	-166.2	58.5	0	0	0	112.6	D30 M31 V32 M50 L51 D54 R55 Y64	N28-D30 PolarHBondContact O-N 3.22Å; N28-M31 PolarHBondContact O-N 3.35Å; N28-M31 VanDerWaalsContact OD1-CE 3.27Å; N28-M31 WeakPolarHBondContact OD1-CE 3.23Å; N28-V32 WeakPolarHBondContact O-CG2 3.42Å; N28-V32 PolarHBondContact O-N 3.09Å; N28-M50 PolarHBondContact ND2-O 2.85Å; N28-L51 PolarHBondContact ND2-O 3.13Å; N28-D54 HydrophobicContact CB-CB 4.44Å; N28-D54 WeakPolarHBondContact CB-OD1 3.5Å; N28-R55 PolarHBondContact OD1-N 2.87Å; N28-Y64 HydrophobicContact CB-CD1 4.31Å; N28-Y64 HydrophobicContact CB-CE1 3.77Å
29	T	98.4	Very high	90.5	Very high	71 Å²	71	55.7 Å²	55.7	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-45	180	-58.4	0	0	0	0	111.8	N27 M31 V32 N33 L51	N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.32Å; N27-T29 WeakPolarHBondContact OD1-CA 3.5Å; N27-T29 WeakPolarHBondContact OD1-CB 3.4Å; N27-T29 PolarHBondContact OD1-N 3.49Å; N27-T29 VanDerWaalsContact OD1-N 3.08Å; T29-M31 PolarHBondContact O-N 3.16Å; T29-V32 PolarHBondContact O-N 2.76Å; T29-N33 VanDerWaalsContact O-CB 3.31Å; T29-N33 WeakPolarHBondContact O-CB 3.46Å; T29-N33 PolarHBondContact O-N 2.77Å; T29-N33 PolarHBondContact O-ND2 3Å; T29-L51 HydrophobicContact CG2-CD2 4.28Å
30	D	97.8	Very high	92.4	Very high	61 Å²	61	52 Å²	52	33%	0.326	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-40.9	178.7	-71.4	-25.9	0	0	0	112.2	N27 N28 N33 A34	N27-D30 PolarHBondContact ND2-OD2 3.37Å; N27-D30 PolarHBondContact O-N 3.29Å; N27-D30 PolarHBondContact OD1-N 2.9Å; N28-D30 PolarHBondContact O-N 3.22Å; D30-N33 PolarHBondContact O-N 3.02Å; D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.21Å; D30-A34 PolarHBondContact O-N 3.14Å
31	M	98.2	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-50.1	176.6	176.1	-167.2	68.4	0	0	110.5	N27 N28 T29 N33 A34 L35 R55 Y64 P80	N27-M31 PolarHBondContact O-N 3.22Å; N27-M31 VanDerWaalsContact O-N 3.09Å; N28-M31 PolarHBondContact O-N 3.35Å; N28-M31 VanDerWaalsContact OD1-CE 3.27Å; N28-M31 WeakPolarHBondContact OD1-CE 3.23Å; T29-M31 PolarHBondContact O-N 3.16Å; M31-N33 VanDerWaalsContact C-N 3.35Å; M31-N33 PolarHBondContact O-N 2.82Å; M31-A34 WeakPolarHBondContact O-CB 3.4Å; M31-A34 PolarHBondContact O-N 2.81Å; M31-A34 VanDerWaalsContact O-N 3.15Å; M31-L35 HydrophobicContact CG-CD1 4.27Å; M31-L35 WeakPolarHBondContact O-CG 3.38Å; M31-L35 PolarHBondContact O-N 2.65Å; M31-R55 HydrophobicContact CE-CB 4.08Å; M31-Y64 HydrophobicContact CE-CD1 4.46Å; M31-Y64 HydrophobicContact SD-CD1 4.26Å; M31-P80 HydrophobicContact CG-CB 4.19Å; M31-P80 HydrophobicContact CG-CG 4.31Å; M31-P80 HydrophobicContact SD-CB 3.69Å; M31-P80 HydrophobicContact SD-CG 3.47Å; M31-P80 WeakPolarHBondContact SD-CG 3.29Å
32	V	98.6	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-42.6	179	174.7	0	0	0	0	111.3	N28 T29 A34 L35 Q36 I41 K47 M50 L51	N28-V32 WeakPolarHBondContact O-CG2 3.42Å; N28-V32 PolarHBondContact O-N 3.09Å; T29-V32 PolarHBondContact O-N 2.76Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.27Å; V32-L35 PolarHBondContact O-N 2.82Å; V32-Q36 PolarHBondContact O-N 2.95Å; V32-I41 HydrophobicContact CG1-CD1 3.85Å; V32-K47 HydrophobicContact CG1-CG 3.8Å; V32-M50 HydrophobicContact CG1-CB 4.42Å; V32-M50 HydrophobicContact CG2-CB 3.72Å; V32-L51 HydrophobicContact CB-CD2 3.82Å; V32-L51 HydrophobicContact CB-CG 4.32Å; V32-L51 HydrophobicContact CG1-CD2 3.94Å; V32-L51 HydrophobicContact CG1-CG 3.92Å; V32-L51 HydrophobicContact CG2-CD2 4.12Å
33	N	97.8	Very high	96.4	Very high	42 Å²	42	43.1 Å²	43.1	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-35.8	175.6	-72.5	-28.8	0	0	0	112	T29 D30 M31 Q36 R37	T29-N33 VanDerWaalsContact O-CB 3.31Å; T29-N33 WeakPolarHBondContact O-CB 3.46Å; T29-N33 PolarHBondContact O-N 2.77Å; T29-N33 PolarHBondContact O-ND2 3Å; D30-N33 PolarHBondContact O-N 3.02Å; M31-N33 VanDerWaalsContact C-N 3.35Å; M31-N33 PolarHBondContact O-N 2.82Å; N33-Q36 PolarHBondContact O-N 2.85Å; N33-R37 WeakPolarHBondContact O-CB 3.39Å; N33-R37 VanDerWaalsContact O-CG 3.31Å; N33-R37 WeakPolarHBondContact O-CG 3.43Å; N33-R37 PolarHBondContact O-N 2.71Å
34	A	97.7	Very high	97	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-40	175.5	0	0	0	0	0	112.3	S23 H24 D30 M31 V32 Q36 R37 N38	S23-A34 PolarHBondContact OG-O 2.84Å; H24-A34 WeakPolarHBondContact O-CB 3.48Å; D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.21Å; D30-A34 PolarHBondContact O-N 3.14Å; M31-A34 WeakPolarHBondContact O-CB 3.4Å; M31-A34 PolarHBondContact O-N 2.81Å; M31-A34 VanDerWaalsContact O-N 3.15Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.27Å; A34-Q36 VanDerWaalsContact C-N 3.35Å; A34-R37 PolarHBondContact O-N 2.89Å; A34-N38 WeakPolarHBondContact O-CB 3.27Å; A34-N38 PolarHBondContact O-N 3.41Å; A34-N38 PolarHBondContact O-ND2 3.03Å
35	L	98.1	Very high	97.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-42.7	172.1	-70.7	167.2	0	0	0	111.7	M31 V32 G39 I40 I41 M50 P80 H81 A84	M31-L35 HydrophobicContact CG-CD1 4.27Å; M31-L35 WeakPolarHBondContact O-CG 3.38Å; M31-L35 PolarHBondContact O-N 2.65Å; V32-L35 PolarHBondContact O-N 2.82Å; L35-G39 PolarHBondContact O-N 2.95Å; L35-I40 HydrophobicContact CD2-CB 4.36Å; L35-I40 HydrophobicContact CD2-CD1 3.74Å; L35-I40 HydrophobicContact CD2-CG2 4.23Å; L35-I40 WeakPolarHBondContact O-CB 3.18Å; L35-I40 PolarHBondContact O-N 3.03Å; L35-I41 HydrophobicContact CB-CD1 3.62Å; L35-I41 HydrophobicContact CB-CG1 3.9Å; L35-I41 HydrophobicContact CD1-CD1 4.05Å; L35-I41 HydrophobicContact CG-CD1 4.5Å; L35-I41 PolarHBondContact O-N 3.12Å; L35-M50 HydrophobicContact CD1-CE 3.7Å; L35-M50 HydrophobicContact CD1-SD 4.45Å; L35-P80 HydrophobicContact CD1-CB 3.92Å; L35-P80 HydrophobicContact CD2-CB 4.39Å; L35-H81 HydrophobicContact CD2-CB 3.88Å; L35-A84 HydrophobicContact CD1-CB 4.46Å
36	Q	97.4	Very high	97.6	Very high	63 Å²	63	47.9 Å²	47.9	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-48.6	175.5	-176.1	173.3	50	0	0	111.9	V32 N33 A34 N38 G39 I41	V32-Q36 PolarHBondContact O-N 2.95Å; N33-Q36 PolarHBondContact O-N 2.85Å; A34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-N38 PolarHBondContact O-N 2.88Å; Q36-G39 PolarHBondContact O-N 2.96Å; Q36-I41 HydrophobicContact CB-CB 4.27Å
37	R	96.5	Very high	97.8	Very high	173 Å²	173	45.2 Å²	45.2	65%	0.653	23%	0.232	S	C	*	.	H	α-helix	trans	-57.6	-34.3	178.5	-77.4	-171.8	-57.1	-95.5	-0.4	112.8	N33 A34 G39	N33-R37 WeakPolarHBondContact O-CB 3.39Å; N33-R37 VanDerWaalsContact O-CG 3.31Å; N33-R37 WeakPolarHBondContact O-CG 3.43Å; N33-R37 PolarHBondContact O-N 2.71Å; A34-R37 PolarHBondContact O-N 2.89Å; R37-G39 VanDerWaalsContact C-N 3.26Å; R37-G39 PolarHBondContact O-N 3.32Å
38	N	95.9	Very high	97.8	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	6.7	178.7	-69	-17.8	0	0	0	113.6	T18 S23 A34 Q36 I40	T18-N38 WeakPolarHBondContact CB-O 3.44Å; T18-N38 PolarHBondContact OG1-O 2.82Å; S23-N38 PolarHBondContact OG-ND2 2.83Å; A34-N38 WeakPolarHBondContact O-CB 3.27Å; A34-N38 PolarHBondContact O-N 3.41Å; A34-N38 PolarHBondContact O-ND2 3.03Å; Q36-N38 PolarHBondContact O-N 2.88Å; N38-I40 VanDerWaalsContact C-N 3.3Å; N38-I40 HydrophobicContact CB-CD1 4.29Å; N38-I40 PolarHBondContact O-N 3.14Å
39	G	95.8	Very high	97.8	Very high	39 Å²	39	46.4 Å²	46.4	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	13.2	174.2	0	0	0	0	0	114.9	L35 Q36 R37 K42	L35-G39 PolarHBondContact O-N 2.95Å; Q36-G39 PolarHBondContact O-N 2.96Å; R37-G39 VanDerWaalsContact C-N 3.26Å; R37-G39 PolarHBondContact O-N 3.32Å; G39-K42 WeakPolarHBondContact O-CE 3.29Å
40	I	96.5	Very high	97.9	Very high	7 Å²	7	43 Å²	43	4%	0.036	21%	0.214	C	C	.	.	S	Bend	trans	-79.4	-53.2	178.5	-62.1	158.2	0	0	0	109.3	A20 S23 L35 N38 H81 A84	A20-I40 HydrophobicContact CB-CD1 3.95Å; S23-I40 WeakPolarHBondContact OG-CD1 3.49Å; L35-I40 HydrophobicContact CD2-CB 4.36Å; L35-I40 HydrophobicContact CD2-CD1 3.74Å; L35-I40 HydrophobicContact CD2-CG2 4.23Å; L35-I40 WeakPolarHBondContact O-CB 3.18Å; L35-I40 PolarHBondContact O-N 3.03Å; N38-I40 VanDerWaalsContact C-N 3.3Å; N38-I40 HydrophobicContact CB-CD1 4.29Å; N38-I40 PolarHBondContact O-N 3.14Å; I40-H81 HydrophobicContact CD1-CB 3.81Å; I40-H81 HydrophobicContact CG2-CB 4.07Å; I40-A84 HydrophobicContact CG2-CB 3.64Å
41	I	98.2	Very high	97.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.211	C	C	.	.			trans	-84.1	123.8	169	-62.4	171.3	0	0	0	108	V32 L35 Q36 V46 K47 M50 A84	V32-I41 HydrophobicContact CG1-CD1 3.85Å; L35-I41 HydrophobicContact CB-CD1 3.62Å; L35-I41 HydrophobicContact CB-CG1 3.9Å; L35-I41 HydrophobicContact CD1-CD1 4.05Å; L35-I41 HydrophobicContact CG-CD1 4.5Å; L35-I41 PolarHBondContact O-N 3.12Å; Q36-I41 HydrophobicContact CB-CB 4.27Å; I41-V46 HydrophobicContact CG1-CG1 4.25Å; I41-V46 HydrophobicContact CG2-CB 4.33Å; I41-V46 HydrophobicContact CG2-CG1 4.14Å; I41-K47 HydrophobicContact CG2-CB 3.87Å; I41-M50 HydrophobicContact CD1-SD 3.59Å; I41-M50 VanDerWaalsContact CD1-SD 3.59Å; I41-M50 HydrophobicContact CG1-SD 4.17Å; I41-A84 HydrophobicContact CD1-CB 4.39Å; I41-A84 HydrophobicContact CG1-CB 3.73Å
42	K	98.1	Very high	97.9	Very high	144 Å²	144	44.7 Å²	44.7	63%	0.626	23%	0.23	S	C	*	.			trans	-116.7	-24.8	-175.3	-60.9	178.3	-176.9	176.8	0	112.3	G39 E88	G39-K42 WeakPolarHBondContact O-CE 3.29Å; K42-E88 WeakPolarHBondContact CA-OE1 3.46Å; K42-E88 PolarHBondContact N-OE1 2.78Å
43	S	98.4	Very high	97.9	Very high	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.23	C	C	.	.			trans	-109.5	143	-177.2	55.6	0	0	0	0	112.5	T45 V46 K47 E88 K91	S43-T45 VanDerWaalsContact C-N 3.27Å; S43-T45 PolarHBondContact O-N 3.09Å; S43-V46 PolarHBondContact O-N 3.24Å; S43-V46 WeakPolarHBondContact OG-CB 3.34Å; S43-V46 WeakPolarHBondContact OG-CG2 3.38Å; S43-K47 PolarHBondContact O-N 2.88Å; S43-K47 VanDerWaalsContact O-N 3.08Å; S43-E88 PolarHBondContact N-OE1 2.98Å; S43-E88 VanDerWaalsContact OG-CD 3.27Å; S43-E88 PolarHBondContact OG-OE1 2.74Å; S43-E88 PolarHBondContact OG-OE2 2.86Å; S43-K91 WeakPolarHBondContact OG-CD 3.5Å
44	E	98.2	Very high	98	Very high	97 Å²	97	45.2 Å²	45.2	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-34.6	177.5	-167.8	57.2	-152.4	0	0	111.3	V46 K47 Q48	E44-V46 PolarHBondContact O-N 2.97Å; E44-K47 WeakPolarHBondContact O-CB 3.48Å; E44-K47 PolarHBondContact O-N 3.49Å; E44-Q48 HydrophobicContact CG-CG 4.28Å; E44-Q48 WeakPolarHBondContact O-CB 3.41Å; E44-Q48 VanDerWaalsContact O-CG 3.26Å; E44-Q48 WeakPolarHBondContact O-CG 3.28Å; E44-Q48 PolarHBondContact O-N 3.18Å; E44-Q48 PolarHBondContact OE1-NE2 2.72Å
45	T	98.2	Very high	98	Very high	80 Å²	80	45 Å²	45	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-46.7	176.4	50.1	0	0	0	0	112.2	S43 Q48 A49 L117	S43-T45 VanDerWaalsContact C-N 3.27Å; S43-T45 PolarHBondContact O-N 3.09Å; T45-Q48 PolarHBondContact O-N 2.93Å; T45-A49 PolarHBondContact O-N 3.04Å; T45-L117 WeakPolarHBondContact O-CD2 3.35Å
46	V	98.7	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-42.2	176.4	172	0	0	0	0	111.3	I41 S43 E44 Q48 A49 M50 L87 E88 K91	I41-V46 HydrophobicContact CG1-CG1 4.25Å; I41-V46 HydrophobicContact CG2-CB 4.33Å; I41-V46 HydrophobicContact CG2-CG1 4.14Å; S43-V46 PolarHBondContact O-N 3.24Å; S43-V46 WeakPolarHBondContact OG-CB 3.34Å; S43-V46 WeakPolarHBondContact OG-CG2 3.38Å; E44-V46 PolarHBondContact O-N 2.97Å; V46-Q48 PolarHBondContact O-N 3.12Å; V46-A49 PolarHBondContact O-N 2.78Å; V46-M50 HydrophobicContact CG1-SD 4.27Å; V46-M50 WeakPolarHBondContact O-CG 3.13Å; V46-M50 PolarHBondContact O-N 3.04Å; V46-L87 HydrophobicContact CB-CB 4.42Å; V46-L87 HydrophobicContact CG1-CB 3.68Å; V46-L87 HydrophobicContact CG1-CD1 4.22Å; V46-L87 HydrophobicContact CG2-CB 3.95Å; V46-E88 HydrophobicContact CG1-CG 4.33Å; V46-E88 HydrophobicContact CG2-CG 4.29Å; V46-K91 HydrophobicContact CG2-CB 4.03Å; V46-K91 HydrophobicContact CG2-CD 4.12Å
47	K	98.7	Very high	98.1	Very high	33 Å²	33	46.3 Å²	46.3	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-51.6	174.3	179.1	179.4	176.8	177.1	0	111.3	V32 I41 S43 E44 A49 M50 L51	V32-K47 HydrophobicContact CG1-CG 3.8Å; I41-K47 HydrophobicContact CG2-CB 3.87Å; S43-K47 PolarHBondContact O-N 2.88Å; S43-K47 VanDerWaalsContact O-N 3.08Å; E44-K47 WeakPolarHBondContact O-CB 3.48Å; E44-K47 PolarHBondContact O-N 3.49Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 2.78Å; K47-M50 PolarHBondContact O-N 3.09Å; K47-L51 HydrophobicContact CG-CD1 3.98Å; K47-L51 HydrophobicContact CG-CG 4.41Å; K47-L51 WeakPolarHBondContact O-CG 3.14Å; K47-L51 PolarHBondContact O-N 2.88Å
48	Q	98.6	Very high	98.1	Very high	96 Å²	96	38.1 Å²	38.1	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-64	-38.6	-177.8	-68.5	-56.4	-38.6	0	0	111.8	E44 T45 V46 M50 L51 A52	E44-Q48 HydrophobicContact CG-CG 4.28Å; E44-Q48 WeakPolarHBondContact O-CB 3.41Å; E44-Q48 VanDerWaalsContact O-CG 3.26Å; E44-Q48 WeakPolarHBondContact O-CG 3.28Å; E44-Q48 PolarHBondContact O-N 3.18Å; E44-Q48 PolarHBondContact OE1-NE2 2.72Å; T45-Q48 PolarHBondContact O-N 2.93Å; V46-Q48 PolarHBondContact O-N 3.12Å; Q48-M50 PolarHBondContact O-N 3.4Å; Q48-L51 PolarHBondContact O-N 2.92Å; Q48-A52 VanDerWaalsContact O-CB 3.31Å; Q48-A52 WeakPolarHBondContact O-CB 3.38Å; Q48-A52 PolarHBondContact O-N 3.2Å
49	A	98.8	Very high	98.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-45.8	174.4	0	0	0	0	0	112.5	T45 V46 K47 L51 A52 V53 V116 L117	T45-A49 PolarHBondContact O-N 3.04Å; V46-A49 PolarHBondContact O-N 2.78Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 2.78Å; A49-L51 VanDerWaalsContact C-N 3.35Å; A49-L51 PolarHBondContact O-N 2.82Å; A49-A52 PolarHBondContact O-N 3.39Å; A49-V53 PolarHBondContact O-N 2.86Å; A49-V116 HydrophobicContact CB-CB 4.49Å; A49-V116 HydrophobicContact CB-CG1 4.21Å; A49-L117 HydrophobicContact CB-CD1 4.17Å; A49-L117 HydrophobicContact CB-CD2 3.71Å; A49-L117 HydrophobicContact CB-CG 3.63Å
50	M	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72	-26.7	178.5	-65	-174.1	73.2	0	0	113.2	N28 V32 L35 I41 V46 K47 Q48 V53 A84 L87 Y109	N28-M50 PolarHBondContact ND2-O 2.85Å; V32-M50 HydrophobicContact CG1-CB 4.42Å; V32-M50 HydrophobicContact CG2-CB 3.72Å; L35-M50 HydrophobicContact CD1-CE 3.7Å; L35-M50 HydrophobicContact CD1-SD 4.45Å; I41-M50 HydrophobicContact CD1-SD 3.59Å; I41-M50 VanDerWaalsContact CD1-SD 3.59Å; I41-M50 HydrophobicContact CG1-SD 4.17Å; V46-M50 HydrophobicContact CG1-SD 4.27Å; V46-M50 WeakPolarHBondContact O-CG 3.13Å; V46-M50 PolarHBondContact O-N 3.04Å; K47-M50 PolarHBondContact O-N 3.09Å; Q48-M50 PolarHBondContact O-N 3.4Å; M50-V53 VanDerWaalsContact O-O 3.13Å; M50-A84 HydrophobicContact CE-CB 4.24Å; M50-A84 HydrophobicContact SD-CB 3.76Å; M50-L87 HydrophobicContact CG-CD1 3.55Å; M50-L87 HydrophobicContact SD-CD1 3.9Å; M50-Y109 WeakPolarHBondContact CE-OH 3.38Å
51	L	98.7	Very high	98	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-38	171	-73.4	174.6	0	0	0	112	N28 T29 V32 K47 Q48 A49 V53	N28-L51 PolarHBondContact ND2-O 3.13Å; T29-L51 HydrophobicContact CG2-CD2 4.28Å; V32-L51 HydrophobicContact CB-CD2 3.82Å; V32-L51 HydrophobicContact CB-CG 4.32Å; V32-L51 HydrophobicContact CG1-CD2 3.94Å; V32-L51 HydrophobicContact CG1-CG 3.92Å; V32-L51 HydrophobicContact CG2-CD2 4.12Å; K47-L51 HydrophobicContact CG-CD1 3.98Å; K47-L51 HydrophobicContact CG-CG 4.41Å; K47-L51 WeakPolarHBondContact O-CG 3.14Å; K47-L51 PolarHBondContact O-N 2.88Å; Q48-L51 PolarHBondContact O-N 2.92Å; A49-L51 VanDerWaalsContact C-N 3.35Å; A49-L51 PolarHBondContact O-N 2.82Å; L51-V53 VanDerWaalsContact C-N 3.29Å; L51-V53 PolarHBondContact O-N 3.09Å
52	A	98.6	Very high	97.9	Very high	50 Å²	50	49.9 Å²	49.9	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-72.1	-20.7	-178.7	0	0	0	0	0	113.8	Q48 A49 V116 N145	Q48-A52 VanDerWaalsContact O-CB 3.31Å; Q48-A52 WeakPolarHBondContact O-CB 3.38Å; Q48-A52 PolarHBondContact O-N 3.2Å; A49-A52 PolarHBondContact O-N 3.39Å; A52-V116 HydrophobicContact CB-CG1 4.09Å; A52-V116 HydrophobicContact CB-CG2 4.25Å; A52-N145 PolarHBondContact O-ND2 3.07Å
53	V	98.8	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-111.7	96.8	177.3	-176.2	0	0	0	0	108.6	A49 M50 L51 R55 Y58 Y109 A112 V116	A49-V53 PolarHBondContact O-N 2.86Å; M50-V53 VanDerWaalsContact O-O 3.13Å; L51-V53 VanDerWaalsContact C-N 3.29Å; L51-V53 PolarHBondContact O-N 3.09Å; V53-R55 PolarHBondContact O-N 2.8Å; V53-Y58 HydrophobicContact CG1-CD2 4.21Å; V53-Y58 HydrophobicContact CG1-CE2 3.45Å; V53-Y58 VanDerWaalsContact CG1-CE2 3.45Å; V53-Y109 HydrophobicContact CB-CE2 4.26Å; V53-Y109 HydrophobicContact CG1-CD2 3.72Å; V53-Y109 HydrophobicContact CG1-CE2 3.72Å; V53-A112 HydrophobicContact CG1-CB 3.92Å; V53-A112 HydrophobicContact CG2-CB 4.15Å; V53-V116 HydrophobicContact CG2-CG2 3.78Å
54	D	98.6	Very high	97.9	Very high	52 Å²	52	45.3 Å²	45.3	28%	0.278	23%	0.232	S	C	.	.			trans	-68.9	108.8	178	-176.1	-8.5	0	0	0	110.4	N28 G56 F57 Y58 Y64	N28-D54 HydrophobicContact CB-CB 4.44Å; N28-D54 WeakPolarHBondContact CB-OD1 3.5Å; D54-G56 PolarHBondContact O-N 3.4Å; D54-G56 PolarHBondContact OD1-N 2.85Å; D54-F57 HydrophobicContact CB-CD2 3.83Å; D54-F57 HydrophobicContact CB-CE2 3.89Å; D54-F57 WeakPolarHBondContact O-CD2 3.26Å; D54-F57 PolarHBondContact O-N 2.94Å; D54-F57 VanDerWaalsContact O-N 3.13Å; D54-Y58 VanDerWaalsContact O-CD2 3.23Å; D54-Y58 WeakPolarHBondContact O-CD2 3.11Å; D54-Y58 WeakPolarHBondContact O-CE2 3.41Å; D54-Y64 WeakPolarHBondContact OD1-CE1 3.39Å; D54-Y64 PolarHBondContact OD1-OH 3.16Å
55	R	98.5	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.9	-21.4	179.5	-171.6	171.2	171.2	85.5	0.6	113.6	N28 M31 V53 F57 Y58 S59 P63 Y64 I77 S78 H83 Y109	N28-R55 PolarHBondContact OD1-N 2.87Å; M31-R55 HydrophobicContact CE-CB 4.08Å; V53-R55 PolarHBondContact O-N 2.8Å; R55-F57 PolarHBondContact O-N 2.79Å; R55-Y58 PolarHBondContact O-N 3.27Å; R55-S59 PolarHBondContact O-N 3.05Å; R55-P63 WeakPolarHBondContact CD-O 3.46Å; R55-P63 HydrophobicContact CG-CB 4.39Å; R55-P63 WeakPolarHBondContact CG-O 3.39Å; R55-P63 PolarHBondContact NE-O 3.44Å; R55-Y64 HydrophobicContact CB-CD1 4.41Å; R55-Y64 HydrophobicContact CB-CE1 4.24Å; R55-I77 VanDerWaalsContact CZ-CD1 3.47Å; R55-S78 PolarHBondContact NH2-O 3.24Å; R55-H83 PolarHBondContact NH1-CE1 2.8Å; R55-H83 PolarHBondContact NH1-ND1 2.84Å; R55-Y109 HydrophobicContact CB-CD2 4.16Å; R55-Y109 HydrophobicContact CB-CE2 3.62Å; R55-Y109 HydrophobicContact CG-CD2 4.16Å; R55-Y109 HydrophobicContact CG-CE2 3.95Å
56	G	98.4	Very high	97.7	Very high	24 Å²	24	42.8 Å²	42.8	25%	0.247	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.4	-28	175.2	0	0	0	0	0	114.4	D54 Y58 Y64	D54-G56 PolarHBondContact O-N 3.4Å; D54-G56 PolarHBondContact OD1-N 2.85Å; G56-Y58 VanDerWaalsContact C-N 3.31Å; G56-Y64 WeakPolarHBondContact CA-OH 3.43Å
57	F	98.3	Very high	97.5	Very high	67 Å²	67	44.9 Å²	44.9	29%	0.294	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-78.5	-15.2	175.7	-64	-73.7	0	0	0	113.6	D54 R55 N140 R143	D54-F57 HydrophobicContact CB-CD2 3.83Å; D54-F57 HydrophobicContact CB-CE2 3.89Å; D54-F57 WeakPolarHBondContact O-CD2 3.26Å; D54-F57 PolarHBondContact O-N 2.94Å; D54-F57 VanDerWaalsContact O-N 3.13Å; R55-F57 PolarHBondContact O-N 2.79Å; F57-N140 WeakPolarHBondContact O-CB 3.12Å; F57-N140 PolarHBondContact O-OD1 3.01Å; F57-N140 VanDerWaalsContact O-OD1 3.05Å; F57-R143 HydrophobicContact CD1-CB 3.83Å; F57-R143 HydrophobicContact CE1-CB 4.34Å
58	Y	98.4	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-5.1	-168.5	-59.3	-96.6	0	0	0	113.8	V53 D54 R55 G56 S107 Y109 A112 W136 N140 V141 N145	V53-Y58 HydrophobicContact CG1-CD2 4.21Å; V53-Y58 HydrophobicContact CG1-CE2 3.45Å; V53-Y58 VanDerWaalsContact CG1-CE2 3.45Å; D54-Y58 VanDerWaalsContact O-CD2 3.23Å; D54-Y58 WeakPolarHBondContact O-CD2 3.11Å; D54-Y58 WeakPolarHBondContact O-CE2 3.41Å; R55-Y58 PolarHBondContact O-N 3.27Å; G56-Y58 VanDerWaalsContact C-N 3.31Å; Y58-S107 WeakPolarHBondContact CD1-O 3.48Å; Y58-S107 WeakPolarHBondContact O-CB 3.29Å; Y58-S107 PolarHBondContact O-OG 2.76Å; Y58-Y109 VanDerWaalsContact CD1-CA 3.46Å; Y58-Y109 AromaticContact CD2-CD2 3.83Å; Y58-Y109 HydrophobicContact CD2-CD2 3.83Å; Y58-Y109 HydrophobicContact CE2-CD2 4.35Å; Y58-Y109 AromaticContact CG-CD2 3.94Å; Y58-Y109 HydrophobicContact CG-CD2 3.94Å; Y58-Y109 HydrophobicContact CG-CG 4.4Å; Y58-A112 HydrophobicContact CE1-CB 4.25Å; Y58-A112 WeakPolarHBondContact OH-CB 3.02Å; Y58-W136 WeakPolarHBondContact O-CH2 3.43Å; Y58-N140 HydrophobicContact CD1-CB 3.7Å; Y58-N140 HydrophobicContact CE1-CB 3.97Å; Y58-N140 HydrophobicContact CG-CB 4.26Å; Y58-V141 HydrophobicContact CE1-CG2 3.89Å; Y58-N145 PolarHBondContact OH-OD1 3.34Å
59	S	97.4	Very high	97.3	Very high	7 Å²	7	43 Å²	43	5%	0.049	22%	0.224	C	C	.	.			trans	-134.1	135.4	173.3	-175.1	0	0	0	0	110.5	R55 H61 Q69	R55-S59 PolarHBondContact O-N 3.05Å; S59-H61 PolarHBondContact OG-O 2.98Å; S59-Q69 WeakPolarHBondContact OG-CB 3.28Å
60	R	93.2	Very high	97.2	Very high	132 Å²	132	46.7 Å²	46.7	50%	0.498	25%	0.248	S	C	.	.	S	Bend	trans	-77	-27.3	-179.7	-60.8	-179.8	-176.3	-162.9	-2.1	112.9	N72 W136	R60-N72 PolarHBondContact NH1-ND2 2.95Å; R60-N72 PolarHBondContact NH2-ND2 3.25Å; R60-W136 HydrophobicContact CG-CH2 4.45Å; R60-W136 HydrophobicContact CG-CZ2 3.84Å
61	H	94.2	Very high	97.1	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.509	25%	0.248	S	C	.	.	S	Bend	trans	-133.4	139.6	-173.5	-54.9	-61.1	0	0	0	109.3	S59 P63 Q69	S59-H61 PolarHBondContact OG-O 2.98Å; H61-P63 VanDerWaalsContact C-CD 3.45Å; H61-P63 VanDerWaalsContact C-N 3.28Å; H61-Q69 WeakPolarHBondContact O-CG 3.19Å
62	N	96.3	Very high	96.9	Very high	91 Å²	91	48 Å²	48	49%	0.487	26%	0.255	S	S	.	.			trans	39.8	49.6	174.4	-52	-42.4	0	0	0	114	Y64 Y65	N62-Y64 PolarHBondContact O-N 3.47Å; N62-Y65 HydrophobicContact CB-CD2 3.86Å; N62-Y65 HydrophobicContact CB-CG 4.08Å; N62-Y65 PolarHBondContact O-N 3.06Å
63	P	97.5	Very high	96.7	Very high	24 Å²	24	50.2 Å²	50.2	16%	0.156	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.9	-171.5	21	-33.4	0	0	0	112.7	R55 H61	R55-P63 WeakPolarHBondContact CD-O 3.46Å; R55-P63 HydrophobicContact CG-CB 4.39Å; R55-P63 WeakPolarHBondContact CG-O 3.39Å; R55-P63 PolarHBondContact NE-O 3.44Å; H61-P63 VanDerWaalsContact C-CD 3.45Å; H61-P63 VanDerWaalsContact C-N 3.28Å
64	Y	98.2	Very high	96.4	Very high	40 Å²	40	53.2 Å²	53.2	16%	0.157	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.6	-173.9	-46	-51.5	0	0	0	114	H24 G25 N27 N28 M31 D54 R55 G56 N62	H24-Y64 WeakPolarHBondContact CA-O 3.34Å; G25-Y64 PolarHBondContact N-O 3.09Å; G25-Y64 WeakPolarHBondContact O-CB 2.96Å; N27-Y64 VanDerWaalsContact CA-CD2 3.48Å; N28-Y64 HydrophobicContact CB-CD1 4.31Å; N28-Y64 HydrophobicContact CB-CE1 3.77Å; M31-Y64 HydrophobicContact CE-CD1 4.46Å; M31-Y64 HydrophobicContact SD-CD1 4.26Å; D54-Y64 WeakPolarHBondContact OD1-CE1 3.39Å; D54-Y64 PolarHBondContact OD1-OH 3.16Å; R55-Y64 HydrophobicContact CB-CD1 4.41Å; R55-Y64 HydrophobicContact CB-CE1 4.24Å; G56-Y64 WeakPolarHBondContact CA-OH 3.43Å; N62-Y64 PolarHBondContact O-N 3.47Å
65	Y	96.7	Very high	96.3	Very high	119 Å²	119	51.3 Å²	51.3	47%	0.467	28%	0.276	S	S	.	.	S	Bend	trans	-83.4	133.5	168.5	-86.2	-111.4	0	0	0	109.5	H24 N62 S67 P80	H24-Y65 AromaticContact CD2-CD1 3.43Å; H24-Y65 VanDerWaalsContact CD2-CD1 3.43Å; H24-Y65 WeakPolarHBondContact CD2-CD1 3.46Å; H24-Y65 AromaticContact CD2-CE1 3.67Å; H24-Y65 AromaticContact NE2-CD1 3.52Å; N62-Y65 HydrophobicContact CB-CD2 3.86Å; N62-Y65 HydrophobicContact CB-CG 4.08Å; N62-Y65 PolarHBondContact O-N 3.06Å; Y65-S67 PolarHBondContact O-N 3.27Å; Y65-P80 WeakPolarHBondContact O-CD 3.32Å; Y65-P80 WeakPolarHBondContact O-CG 3.48Å
66	D	96.4	Very high	96.2	Very high	5 Å²	5	54 Å²	54	3%	0.027	29%	0.292	C	S	.	.	S	Bend	trans	-77.3	60.8	177.1	-168.6	40.1	0	0	0	112.2	H24 P80 H81	H24-D66 PolarHBondContact CE1-N 3Å; H24-D66 WeakPolarHBondContact ND1-CA 3.32Å; H24-D66 VanDerWaalsContact ND1-CB 3.25Å; H24-D66 WeakPolarHBondContact ND1-CB 3.42Å; H24-D66 PolarHBondContact ND1-N 3.42Å; D66-P80 HydrophobicContact CB-CG 4.41Å; D66-P80 WeakPolarHBondContact OD1-CB 3.2Å; D66-P80 WeakPolarHBondContact OD1-CD 3.36Å; D66-H81 IonicContact OD1-CG 2.79Å; D66-H81 PolarHBondContact OD1-N 3.2Å; D66-H81 IonicContact OD1-ND1 3.98Å; D66-H81 PolarHBondContact OD1-ND1 2.78Å; D66-H81 IonicContact OD2-CE1 2.74Å; D66-H81 IonicContact OD2-CG 3.69Å; D66-H81 IonicContact OD2-ND1 3.76Å; D66-H81 PolarHBondContact OD2-ND1 2.81Å
67	S	95.3	Very high	96.1	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	28%	0.282	S	S	.	.	S	Bend	trans	-152	154.4	173.5	56.5	0	0	0	0	109.3	Y65 Q69	Y65-S67 PolarHBondContact O-N 3.27Å; S67-Q69 PolarHBondContact O-NE2 2.79Å; S67-Q69 VanDerWaalsContact O-NE2 3.08Å; S67-Q69 PolarHBondContact OG-NE2 3.26Å
68	P	95.7	Very high	96.1	Very high	76 Å²	76	50.8 Å²	50.8	49%	0.494	27%	0.274	S	S	.	.			trans	-60	140.4	175.5	-20.7	33.5	0	0	0	110.9	I77 A79	P68-I77 VanDerWaalsContact CA-O 3.29Å; P68-I77 WeakPolarHBondContact CA-O 3.19Å; P68-A79 HydrophobicContact CG-CB 4.34Å
69	Q	96.9	Very high	96	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.065	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.5	177.2	-54.9	-59.2	-46.4	0	0	110.2	S59 H61 S67 T76 I77	S59-Q69 WeakPolarHBondContact OG-CB 3.28Å; H61-Q69 WeakPolarHBondContact O-CG 3.19Å; S67-Q69 PolarHBondContact O-NE2 2.79Å; S67-Q69 VanDerWaalsContact O-NE2 3.08Å; S67-Q69 PolarHBondContact OG-NE2 3.26Å; Q69-T76 CarbonylContact O-C 3.04Å; Q69-T76 WeakPolarHBondContact O-CA 3.36Å; Q69-T76 WeakPolarHBondContact O-CB 3.13Å; Q69-I77 HydrophobicContact CB-CG2 3.74Å; Q69-I77 HydrophobicContact CG-CG2 4.49Å; Q69-I77 PolarHBondContact N-O 3.14Å; Q69-I77 WeakPolarHBondContact O-CG2 3.44Å; Q69-I77 PolarHBondContact O-N 2.88Å
70	P	96.2	Very high	96	Very high	77 Å²	77	50.6 Å²	50.6	50%	0.5	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.6	177.4	28.4	-34.4	0	0	0	111.2
71	I	96.2	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.			trans	-123.5	21.6	177.2	60.1	172.7	0	0	0	113.3	A75 I77 L133 W136	I71-A75 HydrophobicContact CD1-CB 4.06Å; I71-A75 HydrophobicContact CG1-CB 3.76Å; I71-A75 PolarHBondContact N-O 2.66Å; I71-I77 HydrophobicContact CG2-CB 3.87Å; I71-I77 HydrophobicContact CG2-CG2 3.76Å; I71-L133 HydrophobicContact CD1-CD1 4.48Å; I71-L133 HydrophobicContact CD1-CD2 4.27Å; I71-L133 HydrophobicContact CG1-CD2 4.25Å; I71-L133 VanDerWaalsContact O-CD2 3.29Å; I71-L133 WeakPolarHBondContact O-CD2 3.27Å; I71-W136 HydrophobicContact CB-CH2 3.93Å; I71-W136 HydrophobicContact CB-CZ3 3.53Å; I71-W136 HydrophobicContact CD1-CZ3 4.25Å; I71-W136 HydrophobicContact CG1-CZ3 4.42Å; I71-W136 HydrophobicContact CG2-CH2 3.68Å; I71-W136 HydrophobicContact CG2-CZ3 3.68Å
72	N	94.4	Very high	96.4	Very high	75 Å²	75	42 Å²	42	40%	0.401	24%	0.238	S	C	.	.	S	Bend	trans	72.8	175.5	-171	-49.5	-48.4	0	0	0	114.1	R60 G74 A75	R60-N72 PolarHBondContact NH1-ND2 2.95Å; R60-N72 PolarHBondContact NH2-ND2 3.25Å; N72-G74 PolarHBondContact O-N 3Å; N72-G74 VanDerWaalsContact O-N 3.15Å; N72-A75 WeakPolarHBondContact O-CB 3.27Å; N72-A75 PolarHBondContact O-N 3.08Å
73	Y	95	Very high	96.5	Very high	97 Å²	97	38.2 Å²	38.2	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	31.5	176.8	-52.2	-76.7	0	0	0	114.3	A75 I130 E132 L133 Q240 L241	Y73-A75 PolarHBondContact O-N 3.42Å; Y73-I130 HydrophobicContact CD1-CG2 4.18Å; Y73-I130 HydrophobicContact CD2-CG2 4.02Å; Y73-I130 HydrophobicContact CG-CG2 3.82Å; Y73-E132 HydrophobicContact CD2-CB 4.5Å; Y73-E132 HydrophobicContact CE1-CB 4.21Å; Y73-E132 HydrophobicContact CE1-CG 4.31Å; Y73-E132 HydrophobicContact CE2-CB 3.6Å; Y73-E132 VanDerWaalsContact CZ-CB 3.43Å; Y73-E132 VanDerWaalsContact OH-CB 3.25Å; Y73-E132 WeakPolarHBondContact OH-CB 3.38Å; Y73-E132 WeakPolarHBondContact OH-CG 3.41Å; Y73-L133 HydrophobicContact CD2-CD1 4.48Å; Y73-L133 HydrophobicContact CD2-CD2 3.76Å; Y73-L133 HydrophobicContact CD2-CG 3.79Å; Y73-L133 HydrophobicContact CE2-CD2 4.34Å; Y73-L133 HydrophobicContact CE2-CG 4.49Å; Y73-Q240 PolarHBondContact O-NE2 2.86Å; Y73-L241 HydrophobicContact CD1-CD2 4.4Å
74	G	92.9	Very high	96.5	Very high	63 Å²	63	37 Å²	37	65%	0.649	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	4.7	-175.9	0	0	0	0	0	114.5	N72	N72-G74 PolarHBondContact O-N 3Å; N72-G74 VanDerWaalsContact O-N 3.15Å
75	A	95.6	Very high	96.5	Very high	12 Å²	12	37.2 Å²	37.2	10%	0.099	21%	0.213	C	C	.	.			trans	-95.3	158.9	-179.4	0	0	0	0	0	112.4	I71 N72 Y73 L133	I71-A75 HydrophobicContact CD1-CB 4.06Å; I71-A75 HydrophobicContact CG1-CB 3.76Å; I71-A75 PolarHBondContact N-O 2.66Å; N72-A75 WeakPolarHBondContact O-CB 3.27Å; N72-A75 PolarHBondContact O-N 3.08Å; Y73-A75 PolarHBondContact O-N 3.42Å; A75-L133 HydrophobicContact CB-CD1 3.62Å
76	T	96.5	Very high	96.6	Very high	56 Å²	56	31.6 Å²	31.6	34%	0.344	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.8	172.8	59.1	0	0	0	0	110.7	Q69	Q69-T76 CarbonylContact O-C 3.04Å; Q69-T76 WeakPolarHBondContact O-CA 3.36Å; Q69-T76 WeakPolarHBondContact O-CB 3.13Å
77	I	97.8	Very high	96.7	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.9	156.9	-175.6	-179.7	0	0	0	107.3	R55 P68 Q69 I71 S107 Y109	R55-I77 VanDerWaalsContact CZ-CD1 3.47Å; P68-I77 VanDerWaalsContact CA-O 3.29Å; P68-I77 WeakPolarHBondContact CA-O 3.19Å; Q69-I77 HydrophobicContact CB-CG2 3.74Å; Q69-I77 HydrophobicContact CG-CG2 4.49Å; Q69-I77 PolarHBondContact N-O 3.14Å; Q69-I77 WeakPolarHBondContact O-CG2 3.44Å; Q69-I77 PolarHBondContact O-N 2.88Å; I71-I77 HydrophobicContact CG2-CB 3.87Å; I71-I77 HydrophobicContact CG2-CG2 3.76Å; I77-S107 VanDerWaalsContact CD1-OG 3.31Å; I77-S107 WeakPolarHBondContact CD1-OG 3Å; I77-Y109 HydrophobicContact CD1-CG 4.29Å
78	S	96.7	Very high	96.9	Very high	19 Å²	19	30.3 Å²	30.3	13%	0.133	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-58.4	155.8	-177.5	-62.4	0	0	0	0	112.7	R55 H83	R55-S78 PolarHBondContact NH2-O 3.24Å; S78-H83 PolarHBondContact O-CE1 3Å; S78-H83 VanDerWaalsContact O-CE1 3.22Å
79	A	96.9	Very high	97	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-56.5	141.6	178.3	0	0	0	0	0	111.8	P68 H81 M82 H83	P68-A79 HydrophobicContact CG-CB 4.34Å; A79-H81 VanDerWaalsContact C-N 3.26Å; A79-H81 PolarHBondContact O-N 2.67Å; A79-M82 WeakPolarHBondContact O-CB 3.34Å; A79-M82 PolarHBondContact O-N 3.19Å; A79-H83 PolarHBondContact O-N 2.78Å
80	P	98.1	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-42.1	-44.5	172.7	-29.6	27.9	0	0	0	115.5	M31 L35 Y65 D66 M82 H83 A84	M31-P80 HydrophobicContact CG-CB 4.19Å; M31-P80 HydrophobicContact CG-CG 4.31Å; M31-P80 HydrophobicContact SD-CB 3.69Å; M31-P80 HydrophobicContact SD-CG 3.47Å; M31-P80 WeakPolarHBondContact SD-CG 3.29Å; L35-P80 HydrophobicContact CD1-CB 3.92Å; L35-P80 HydrophobicContact CD2-CB 4.39Å; Y65-P80 WeakPolarHBondContact O-CD 3.32Å; Y65-P80 WeakPolarHBondContact O-CG 3.48Å; D66-P80 HydrophobicContact CB-CG 4.41Å; D66-P80 WeakPolarHBondContact OD1-CB 3.2Å; D66-P80 WeakPolarHBondContact OD1-CD 3.36Å; P80-M82 VanDerWaalsContact C-N 3.31Å; P80-M82 PolarHBondContact O-N 3.22Å; P80-H83 PolarHBondContact O-N 2.92Å; P80-A84 PolarHBondContact O-N 3.04Å
81	H	97.2	Very high	97.2	Very high	41 Å²	41	26.3 Å²	26.3	19%	0.19	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-33.5	179	71.9	-91.9	0	0	0	113.1	A20 L35 I40 D66 A79 A84 H85	A20-H81 HydrophobicContact CB-CB 4.22Å; L35-H81 HydrophobicContact CD2-CB 3.88Å; I40-H81 HydrophobicContact CD1-CB 3.81Å; I40-H81 HydrophobicContact CG2-CB 4.07Å; D66-H81 IonicContact OD1-CG 2.79Å; D66-H81 PolarHBondContact OD1-N 3.2Å; D66-H81 IonicContact OD1-ND1 3.98Å; D66-H81 PolarHBondContact OD1-ND1 2.78Å; D66-H81 IonicContact OD2-CE1 2.74Å; D66-H81 IonicContact OD2-CG 3.69Å; D66-H81 IonicContact OD2-ND1 3.76Å; D66-H81 PolarHBondContact OD2-ND1 2.81Å; A79-H81 VanDerWaalsContact C-N 3.26Å; A79-H81 PolarHBondContact O-N 2.67Å; H81-A84 PolarHBondContact O-N 3.25Å; H81-H85 WeakPolarHBondContact O-CB 3.45Å; H81-H85 PolarHBondContact O-CD2 3.14Å; H81-H85 PolarHBondContact O-N 3.33Å
82	M	97.4	Very high	97.3	Very high	21 Å²	21	31.3 Å²	31.3	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-69.5	-38.8	177	-71.1	-46	-50.8	0	0	111.5	A79 P80 H85 A86 F210 V229 Y231	A79-M82 WeakPolarHBondContact O-CB 3.34Å; A79-M82 PolarHBondContact O-N 3.19Å; P80-M82 VanDerWaalsContact C-N 3.31Å; P80-M82 PolarHBondContact O-N 3.22Å; M82-H85 PolarHBondContact O-N 2.82Å; M82-A86 PolarHBondContact O-N 3.29Å; M82-F210 HydrophobicContact CE-CD1 4.48Å; M82-F210 HydrophobicContact CE-CE1 4.4Å; M82-V229 HydrophobicContact CE-CG1 3.78Å; M82-V229 HydrophobicContact SD-CG1 4.36Å; M82-Y231 HydrophobicContact CE-CE2 3.86Å; M82-Y231 WeakPolarHBondContact CE-OH 3.35Å
83	H	98.3	Very high	97.5	Very high	11 Å²	11	29 Å²	29	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-43.2	171.4	-67.5	141.9	0	0	0	111.8	R55 S78 A79 P80 H85 A86 L87 Y109 L110	R55-H83 PolarHBondContact NH1-CE1 2.8Å; R55-H83 PolarHBondContact NH1-ND1 2.84Å; S78-H83 PolarHBondContact O-CE1 3Å; S78-H83 VanDerWaalsContact O-CE1 3.22Å; A79-H83 PolarHBondContact O-N 2.78Å; P80-H83 PolarHBondContact O-N 2.92Å; H83-H85 VanDerWaalsContact C-N 3.34Å; H83-H85 PolarHBondContact O-N 3.21Å; H83-A86 PolarHBondContact O-N 3.37Å; H83-L87 WeakPolarHBondContact O-CB 3.27Å; H83-L87 VanDerWaalsContact O-CG 3.27Å; H83-L87 WeakPolarHBondContact O-CG 3.44Å; H83-L87 PolarHBondContact O-N 2.84Å; H83-Y109 HydrophobicContact CB-CD1 4.48Å; H83-Y109 HydrophobicContact CB-CE1 3.99Å; H83-Y109 AromaticContact CE1-CD1 3.61Å; H83-Y109 AromaticContact CG-CD1 3.88Å; H83-Y109 AromaticContact CG-CE1 3.84Å; H83-Y109 AromaticContact ND1-CD1 3.34Å; H83-Y109 VanDerWaalsContact ND1-CD1 3.34Å; H83-Y109 WeakPolarHBondContact ND1-CD1 3.34Å; H83-Y109 AromaticContact ND1-CE1 3.44Å; H83-Y109 WeakPolarHBondContact ND1-CE1 3.41Å; H83-L110 HydrophobicContact CB-CD1 4.17Å
84	A	98.4	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-41.9	175.6	0	0	0	0	0	112	L35 I40 I41 M50 P80 H81 L87 E88	L35-A84 HydrophobicContact CD1-CB 4.46Å; I40-A84 HydrophobicContact CG2-CB 3.64Å; I41-A84 HydrophobicContact CD1-CB 4.39Å; I41-A84 HydrophobicContact CG1-CB 3.73Å; M50-A84 HydrophobicContact CE-CB 4.24Å; M50-A84 HydrophobicContact SD-CB 3.76Å; P80-A84 PolarHBondContact O-N 3.04Å; H81-A84 PolarHBondContact O-N 3.25Å; A84-L87 PolarHBondContact O-N 2.78Å; A84-E88 WeakPolarHBondContact O-CB 3.31Å; A84-E88 WeakPolarHBondContact O-CG 3.33Å; A84-E88 PolarHBondContact O-N 3.22Å
85	H	97.8	Very high	98	Very high	44 Å²	44	24.1 Å²	24.1	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-46.1	174.2	-79.1	-51.1	0	0	0	112.5	H81 M82 H83 L87 E88 L89	H81-H85 WeakPolarHBondContact O-CB 3.45Å; H81-H85 PolarHBondContact O-CD2 3.14Å; H81-H85 PolarHBondContact O-N 3.33Å; M82-H85 PolarHBondContact O-N 2.82Å; H83-H85 VanDerWaalsContact C-N 3.34Å; H83-H85 PolarHBondContact O-N 3.21Å; H85-L87 VanDerWaalsContact C-N 3.34Å; H85-L87 PolarHBondContact O-N 2.78Å; H85-E88 PolarHBondContact O-N 3.34Å; H85-L89 WeakPolarHBondContact O-CB 3.25Å; H85-L89 WeakPolarHBondContact O-CD1 3.47Å; H85-L89 VanDerWaalsContact O-CG 3.25Å; H85-L89 WeakPolarHBondContact O-CG 3.49Å; H85-L89 PolarHBondContact O-N 3.39Å
86	A	98.7	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-45.6	176.5	0	0	0	0	0	111.5	M82 H83 L89 L90 L110	M82-A86 PolarHBondContact O-N 3.29Å; H83-A86 PolarHBondContact O-N 3.37Å; A86-L89 PolarHBondContact O-N 2.57Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 3.24Å; A86-L110 HydrophobicContact CB-CD2 4.25Å
87	L	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-45.2	176.7	-69.6	166	0	0	0	111.9	V46 M50 H83 A84 H85 L89 L90 K91 L94 L110 C113 F114 L117	V46-L87 HydrophobicContact CB-CB 4.42Å; V46-L87 HydrophobicContact CG1-CB 3.68Å; V46-L87 HydrophobicContact CG1-CD1 4.22Å; V46-L87 HydrophobicContact CG2-CB 3.95Å; M50-L87 HydrophobicContact CG-CD1 3.55Å; M50-L87 HydrophobicContact SD-CD1 3.9Å; H83-L87 WeakPolarHBondContact O-CB 3.27Å; H83-L87 VanDerWaalsContact O-CG 3.27Å; H83-L87 WeakPolarHBondContact O-CG 3.44Å; H83-L87 PolarHBondContact O-N 2.84Å; A84-L87 PolarHBondContact O-N 2.78Å; H85-L87 VanDerWaalsContact C-N 3.34Å; H85-L87 PolarHBondContact O-N 2.78Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 2.86Å; L87-L90 PolarHBondContact O-N 3.37Å; L87-K91 WeakPolarHBondContact O-CA 3.29Å; L87-K91 WeakPolarHBondContact O-CB 3.5Å; L87-K91 PolarHBondContact O-N 3.49Å; L87-L94 HydrophobicContact CD2-CD1 4.21Å; L87-L110 HydrophobicContact CD1-CD1 4.16Å; L87-L110 HydrophobicContact CD2-CD1 3.92Å; L87-L110 HydrophobicContact CG-CD1 3.77Å; L87-C113 HydrophobicContact CD1-CB 4.07Å; L87-C113 HydrophobicContact CD2-CB 3.92Å; L87-F114 HydrophobicContact CD2-CD1 3.65Å; L87-F114 HydrophobicContact CD2-CE1 3.7Å; L87-L117 HydrophobicContact CD2-CD1 3.7Å
88	E	98.7	Very high	98.2	Very high	23 Å²	23	30.3 Å²	30.3	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-37.7	177.6	-79.2	-67.1	162.2	0	0	113.1	K42 S43 V46 A84 H85 K91	K42-E88 WeakPolarHBondContact CA-OE1 3.46Å; K42-E88 PolarHBondContact N-OE1 2.78Å; S43-E88 PolarHBondContact N-OE1 2.98Å; S43-E88 VanDerWaalsContact OG-CD 3.27Å; S43-E88 PolarHBondContact OG-OE1 2.74Å; S43-E88 PolarHBondContact OG-OE2 2.86Å; V46-E88 HydrophobicContact CG1-CG 4.33Å; V46-E88 HydrophobicContact CG2-CG 4.29Å; A84-E88 WeakPolarHBondContact O-CB 3.31Å; A84-E88 WeakPolarHBondContact O-CG 3.33Å; A84-E88 PolarHBondContact O-N 3.22Å; H85-E88 PolarHBondContact O-N 3.34Å; E88-K91 IonicContact OE2-NZ 3.6Å; E88-K91 PolarHBondContact OE2-NZ 3.05Å
89	L	98.7	Very high	98.3	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-75.2	-29.2	179.4	-69.3	165.8	0	0	0	112.9	H85 A86 L87 R196 V198 F210 L226	H85-L89 WeakPolarHBondContact O-CB 3.25Å; H85-L89 WeakPolarHBondContact O-CD1 3.47Å; H85-L89 VanDerWaalsContact O-CG 3.25Å; H85-L89 WeakPolarHBondContact O-CG 3.49Å; H85-L89 PolarHBondContact O-N 3.39Å; A86-L89 PolarHBondContact O-N 2.57Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 2.86Å; L89-R196 VanDerWaalsContact O-CD 3.27Å; L89-R196 WeakPolarHBondContact O-CD 3.4Å; L89-R196 PolarHBondContact O-NH1 3.15Å; L89-V198 HydrophobicContact CB-CG1 3.87Å; L89-V198 HydrophobicContact CD1-CG1 4.04Å; L89-F210 HydrophobicContact CD1-CD1 3.95Å; L89-F210 HydrophobicContact CD1-CE1 3.44Å; L89-F210 VanDerWaalsContact CD1-CE1 3.44Å; L89-F210 HydrophobicContact CD1-CZ 4.38Å; L89-L226 HydrophobicContact CD1-CD1 3.48Å; L89-L226 VanDerWaalsContact CD1-CD1 3.48Å; L89-L226 HydrophobicContact CD2-CD1 3.59Å; L89-L226 HydrophobicContact CG-CD1 4.19Å
90	L	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-101.5	-12.4	-175.5	-66.1	179.5	0	0	0	114.2	A86 L87 D92 H93 L94 F114 A173 H175 R196 V198	A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 3.24Å; L87-L90 PolarHBondContact O-N 3.37Å; L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.05Å; L90-H93 CarbonylContact O-C 3.57Å; L90-H93 WeakPolarHBondContact O-CA 3.34Å; L90-H93 WeakPolarHBondContact O-CB 3.48Å; L90-H93 PolarHBondContact O-N 3.37Å; L90-L94 HydrophobicContact CB-CD1 3.6Å; L90-L94 HydrophobicContact CB-CG 3.96Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L90-L94 PolarHBondContact O-N 3.04Å; L90-F114 HydrophobicContact CD1-CE1 4.2Å; L90-F114 HydrophobicContact CD1-CE2 4.49Å; L90-F114 HydrophobicContact CD1-CZ 3.71Å; L90-A173 HydrophobicContact CD1-CB 4.48Å; L90-A173 HydrophobicContact CD2-CB 4.25Å; L90-H175 HydrophobicContact CD1-CB 4Å; L90-R196 HydrophobicContact CD2-CB 4.21Å; L90-R196 HydrophobicContact CD2-CG 3.76Å; L90-V198 HydrophobicContact CD1-CG2 3.83Å; L90-V198 HydrophobicContact CD2-CG1 4.03Å; L90-V198 HydrophobicContact CD2-CG2 4.15Å; L90-V198 HydrophobicContact CG-CG1 4.36Å; L90-V198 HydrophobicContact CG-CG2 3.94Å
91	K	98.6	Very high	98.5	Very high	48 Å²	48	31.6 Å²	31.6	21%	0.209	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.9	-171.4	68	-171.4	176.3	-168.7	0	115.2	S43 V46 L87 E88 H93 L94	S43-K91 WeakPolarHBondContact OG-CD 3.5Å; V46-K91 HydrophobicContact CG2-CB 4.03Å; V46-K91 HydrophobicContact CG2-CD 4.12Å; L87-K91 WeakPolarHBondContact O-CA 3.29Å; L87-K91 WeakPolarHBondContact O-CB 3.5Å; L87-K91 PolarHBondContact O-N 3.49Å; E88-K91 IonicContact OE2-NZ 3.6Å; E88-K91 PolarHBondContact OE2-NZ 3.05Å; K91-H93 PolarHBondContact O-N 3.05Å; K91-L94 CarbonylContact O-C 3.5Å; K91-L94 PolarHBondContact O-N 2.82Å; K91-L94 VanDerWaalsContact O-N 3.16Å
92	D	98.5	Very high	98.6	Very high	105 Å²	105	29.7 Å²	29.7	56%	0.561	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.7	-179.7	-56.3	-35.4	0	0	0	112.6	L90 K98	L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.05Å; D92-K98 PolarHBondContact O-NZ 2.87Å; D92-K98 VanDerWaalsContact O-NZ 3.09Å
93	H	98.8	Very high	98.6	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.116	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-10.6	175.5	-53.2	78.3	0	0	0	112	L90 K91 K98 A173 G194	L90-H93 CarbonylContact O-C 3.57Å; L90-H93 WeakPolarHBondContact O-CA 3.34Å; L90-H93 WeakPolarHBondContact O-CB 3.48Å; L90-H93 PolarHBondContact O-N 3.37Å; K91-H93 PolarHBondContact O-N 3.05Å; H93-K98 WeakPolarHBondContact O-CD 3.43Å; H93-A173 HydrophobicContact CB-CB 3.93Å; H93-G194 PolarHBondContact CD2-O 2.94Å
94	L	98.8	Very high	98.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.164	C	C	.	.	S	Bend	trans	-103.8	68.6	174.3	-62.6	171.4	0	0	0	109.2	L87 L90 K91 A100 F114 L117 L118 A173	L87-L94 HydrophobicContact CD2-CD1 4.21Å; L90-L94 HydrophobicContact CB-CD1 3.6Å; L90-L94 HydrophobicContact CB-CG 3.96Å; L90-L94 WeakPolarHBondContact O-CG 3.35Å; L90-L94 PolarHBondContact O-N 3.04Å; K91-L94 CarbonylContact O-C 3.5Å; K91-L94 PolarHBondContact O-N 2.82Å; K91-L94 VanDerWaalsContact O-N 3.16Å; L94-A100 HydrophobicContact CD2-CB 3.49Å; L94-A100 VanDerWaalsContact CD2-CB 3.49Å; L94-F114 HydrophobicContact CD1-CD1 3.41Å; L94-F114 VanDerWaalsContact CD1-CD1 3.41Å; L94-F114 HydrophobicContact CD1-CE1 3.58Å; L94-F114 HydrophobicContact CD1-CG 4.16Å; L94-F114 HydrophobicContact CD1-CZ 4.44Å; L94-F114 HydrophobicContact CD2-CB 4.1Å; L94-F114 HydrophobicContact CD2-CD1 4.02Å; L94-F114 HydrophobicContact CD2-CD2 4.31Å; L94-F114 HydrophobicContact CD2-CG 3.89Å; L94-F114 HydrophobicContact CG-CD1 4.38Å; L94-L117 HydrophobicContact CB-CB 3.86Å; L94-L117 HydrophobicContact CB-CD1 4.03Å; L94-L117 HydrophobicContact CD1-CD1 3.85Å; L94-L117 CarbonylContact O-C 3.5Å; L94-L117 WeakPolarHBondContact O-CB 3.42Å; L94-L118 HydrophobicContact CB-CD2 4.43Å; L94-L118 HydrophobicContact CD2-CD2 4.13Å; L94-L118 HydrophobicContact CD2-CG 4.24Å; L94-A173 HydrophobicContact CD2-CB 3.71Å; L94-A173 HydrophobicContact CG-CB 4.17Å
95	T	98.5	Very high	98.6	Very high	55 Å²	55	30 Å²	30	34%	0.337	17%	0.166	S	C	.	.			trans	-121.1	166.4	180	64.2	0	0	0	0	110.9	G97 K98	T95-G97 PolarHBondContact O-N 3.01Å; T95-K98 VanDerWaalsContact O-CB 3.29Å; T95-K98 WeakPolarHBondContact O-CB 3.2Å; T95-K98 PolarHBondContact O-N 3.37Å; T95-K98 VanDerWaalsContact O-N 3.13Å; T95-K98 WeakPolarHBondContact OG1-CD 3.2Å; T95-K98 WeakPolarHBondContact OG1-CE 3.34Å; T95-K98 PolarHBondContact OG1-NZ 3.46Å
96	E	98.3	Very high	98.7	Very high	102 Å²	102	28.2 Å²	28.2	48%	0.477	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	130.2	179.6	-175.2	61	-123.8	0	0	113.6	K98 L118 G119 P120 S121	E96-K98 PolarHBondContact O-N 3.32Å; E96-L118 CarbonylContact C-O 3.46Å; E96-L118 VanDerWaalsContact CA-O 3.23Å; E96-L118 WeakPolarHBondContact CA-O 3.48Å; E96-G119 VanDerWaalsContact OE2-CA 3.24Å; E96-G119 WeakPolarHBondContact OE2-CA 3.35Å; E96-P120 WeakPolarHBondContact OE2-CD 3.31Å; E96-S121 WeakPolarHBondContact OE1-CB 3.36Å; E96-S121 PolarHBondContact OE1-N 2.83Å; E96-S121 PolarHBondContact OE1-OG 2.85Å
97	G	98.3	Very high	98.6	Very high	42 Å²	42	28.3 Å²	28.3	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-3.1	173.5	0	0	0	0	0	115.7	T95 L118 S121	T95-G97 PolarHBondContact O-N 3.01Å; G97-L118 PolarHBondContact N-O 3.48Å; G97-S121 WeakPolarHBondContact CA-OG 3.33Å; G97-S121 PolarHBondContact N-OG 3.04Å
98	K	98.7	Very high	98.6	Very high	59 Å²	59	28.3 Å²	28.3	26%	0.257	16%	0.161	S	C	.	.			trans	-80.2	175.3	176.5	-69	-172.3	177.8	175.6	0	112.1	D92 H93 T95 E96 L118 G122 K123 D172	D92-K98 PolarHBondContact O-NZ 2.87Å; D92-K98 VanDerWaalsContact O-NZ 3.09Å; H93-K98 WeakPolarHBondContact O-CD 3.43Å; T95-K98 VanDerWaalsContact O-CB 3.29Å; T95-K98 WeakPolarHBondContact O-CB 3.2Å; T95-K98 PolarHBondContact O-N 3.37Å; T95-K98 VanDerWaalsContact O-N 3.13Å; T95-K98 WeakPolarHBondContact OG1-CD 3.2Å; T95-K98 WeakPolarHBondContact OG1-CE 3.34Å; T95-K98 PolarHBondContact OG1-NZ 3.46Å; E96-K98 PolarHBondContact O-N 3.32Å; K98-L118 HydrophobicContact CB-CD2 3.63Å; K98-G122 WeakPolarHBondContact O-CA 3.47Å; K98-K123 PolarHBondContact O-N 3.13Å; K98-D172 HydrophobicContact CB-CB 3.97Å; K98-D172 WeakPolarHBondContact CB-OD2 3.34Å; K98-D172 HydrophobicContact CD-CB 3.83Å; K98-D172 HydrophobicContact CG-CB 4.21Å
99	K	98.8	Very high	98.6	Very high	48 Å²	48	27.3 Å²	27.3	21%	0.209	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.1	177.6	-160.8	-176.1	-63.1	-165.4	0	111.8	K123 E168 Y171 D172 A173	K99-K123 VanDerWaalsContact CA-O 3.28Å; K99-K123 WeakPolarHBondContact CA-O 3.16Å; K99-K123 HydrophobicContact CG-CB 4.29Å; K99-K123 WeakPolarHBondContact CG-O 3.36Å; K99-E168 HydrophobicContact CD-CB 4.19Å; K99-E168 WeakPolarHBondContact CD-O 3.19Å; K99-E168 WeakPolarHBondContact CE-O 3.31Å; K99-E168 PolarHBondContact NZ-O 3.5Å; K99-E168 IonicContact NZ-OE2 3.29Å; K99-E168 PolarHBondContact NZ-OE2 2.92Å; K99-Y171 HydrophobicContact CB-CD1 4.34Å; K99-Y171 HydrophobicContact CD-CD1 3.85Å; K99-Y171 HydrophobicContact CD-CE1 3.77Å; K99-Y171 HydrophobicContact CG-CD1 3.77Å; K99-Y171 HydrophobicContact CG-CE1 3.98Å; K99-D172 PolarHBondContact N-OD2 2.9Å; K99-D172 PolarHBondContact O-N 2.8Å; K99-A173 PolarHBondContact O-N 3.42Å
100	A	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.8	177	0	0	0	0	0	113	L94 F114 L118 K123 V125 Y171 A173	L94-A100 HydrophobicContact CD2-CB 3.49Å; L94-A100 VanDerWaalsContact CD2-CB 3.49Å; A100-F114 HydrophobicContact CB-CB 4.42Å; A100-F114 HydrophobicContact CB-CD2 3.84Å; A100-F114 HydrophobicContact CB-CE2 4.48Å; A100-F114 HydrophobicContact CB-CG 4.38Å; A100-L118 HydrophobicContact CB-CD1 3.86Å; A100-K123 PolarHBondContact N-O 3.37Å; A100-V125 PolarHBondContact O-N 3.03Å; A100-Y171 VanDerWaalsContact C-CD1 3.49Å; A100-A173 CarbonylContact C-O 3.51Å; A100-A173 WeakPolarHBondContact CA-O 3.43Å; A100-A173 HydrophobicContact CB-CB 4.04Å
101	L	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134	170.2	-177.8	65.2	0	0	0	110.1	V103 V125 I127 Y171 A173 I174 H175 L187	L101-V103 HydrophobicContact CD2-CG2 3.66Å; L101-V103 HydrophobicContact CG-CG2 3.81Å; L101-V125 CarbonylContact C-O 3.53Å; L101-V125 WeakPolarHBondContact CA-O 3.23Å; L101-V125 HydrophobicContact CD1-CB 4.09Å; L101-V125 HydrophobicContact CD1-CG1 4Å; L101-I127 HydrophobicContact CD1-CG2 3.92Å; L101-Y171 HydrophobicContact CB-CD1 3.79Å; L101-Y171 HydrophobicContact CB-CD2 3.9Å; L101-Y171 HydrophobicContact CB-CE1 3.81Å; L101-Y171 HydrophobicContact CB-CE2 3.93Å; L101-Y171 HydrophobicContact CB-CG 3.82Å; L101-Y171 HydrophobicContact CD1-CE1 4.43Å; L101-Y171 HydrophobicContact CD1-CE2 4.41Å; L101-Y171 HydrophobicContact CD2-CD2 4.2Å; L101-Y171 HydrophobicContact CD2-CE2 3.84Å; L101-Y171 HydrophobicContact CG-CE2 4.28Å; L101-A173 PolarHBondContact N-O 3.3Å; L101-I174 HydrophobicContact CB-CG1 4.1Å; L101-I174 HydrophobicContact CB-CG2 4.34Å; L101-I174 HydrophobicContact CD2-CG2 4.3Å; L101-I174 CarbonylContact O-C 3.58Å; L101-I174 WeakPolarHBondContact O-CA 3.48Å; L101-H175 PolarHBondContact O-N 2.91Å; L101-L187 HydrophobicContact CD2-CD2 4.01Å
102	D	98.9	Very high	98.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.011	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	100.7	172.8	-175.3	18.9	0	0	0	108.7	T111 F114 V125 G126 I127 H175	D102-T111 WeakPolarHBondContact CB-OG1 3.23Å; D102-T111 PolarHBondContact OD2-N 2.84Å; D102-T111 PolarHBondContact OD2-OG1 3.01Å; D102-F114 HydrophobicContact CB-CD2 4.23Å; D102-F114 HydrophobicContact CB-CE2 3.98Å; D102-V125 PolarHBondContact N-O 3.16Å; D102-G126 WeakPolarHBondContact O-CA 3.48Å; D102-I127 PolarHBondContact O-N 3.35Å; D102-H175 IonicContact OD1-CE1 3.9Å; D102-H175 IonicContact OD1-CG 3.82Å; D102-H175 IonicContact OD1-ND1 2.67Å; D102-H175 PolarHBondContact OD1-ND1 3.49Å
103	V	98.9	Very high	98.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.8	-177.9	178	0	0	0	0	110	L101 I127 G161 I174 H175 V176 G177 L187 L234	L101-V103 HydrophobicContact CD2-CG2 3.66Å; L101-V103 HydrophobicContact CG-CG2 3.81Å; V103-I127 HydrophobicContact CB-CG2 4.21Å; V103-I127 HydrophobicContact CG1-CG2 4.34Å; V103-I127 HydrophobicContact CG2-CG2 3.99Å; V103-G161 WeakPolarHBondContact CG1-O 3.33Å; V103-I174 HydrophobicContact CG2-CG2 4.35Å; V103-H175 WeakPolarHBondContact CB-O 3.36Å; V103-H175 PolarHBondContact N-O 2.95Å; V103-V176 HydrophobicContact CB-CB 4.45Å; V103-V176 HydrophobicContact CB-CG1 4.25Å; V103-V176 HydrophobicContact CB-CG2 4.32Å; V103-V176 HydrophobicContact CG1-CG1 4.13Å; V103-V176 HydrophobicContact CG2-CG2 4.5Å; V103-G177 WeakPolarHBondContact O-CA 3.43Å; V103-G177 PolarHBondContact O-N 3.45Å; V103-L187 HydrophobicContact CG2-CD1 4.18Å; V103-L187 HydrophobicContact CG2-CD2 3.99Å; V103-L234 HydrophobicContact CG1-CD1 3.95Å
104	G	98.4	Very high	98.7	Very high	31 Å²	31	17.3 Å²	17.3	32%	0.32	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	48.1	-169.1	0	0	0	0	0	110.4	G106 I127	G104-G106 PolarHBondContact O-N 3.22Å; G104-G106 VanDerWaalsContact O-N 3.08Å; G104-I127 WeakPolarHBondContact CA-O 3.36Å; G104-I127 PolarHBondContact N-O 3.29Å
105	S	98.6	Very high	98.7	Very high	7 Å²	7	17.2 Å²	17.2	5%	0.049	11%	0.105	C	C	.	.			trans	-62.4	-18.1	-172.7	58.3	0	0	0	0	113.6	S107 G108 T111 I127	S105-S107 PolarHBondContact O-N 2.79Å; S105-S107 VanDerWaalsContact O-N 3.07Å; S105-G108 PolarHBondContact O-N 2.73Å; S105-T111 WeakPolarHBondContact CB-OG1 3.35Å; S105-I127 PolarHBondContact N-O 3.27Å; S105-I127 PolarHBondContact OG-N 3.38Å
106	G	98.2	Very high	98.7	Very high	6 Å²	6	16.6 Å²	16.6	6%	0.062	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-113.5	172.4	0	0	0	0	0	112.5	G104 G108 E128 S137	G104-G106 PolarHBondContact O-N 3.22Å; G104-G106 VanDerWaalsContact O-N 3.08Å; G106-G108 VanDerWaalsContact C-N 3.26Å; G106-G108 PolarHBondContact O-N 2.77Å; G106-E128 PolarHBondContact N-OE2 3.41Å; G106-S137 WeakPolarHBondContact O-CB 3.35Å
107	S	98.4	Very high	98.7	Very high	3 Å²	3	13 Å²	13	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.6	179.8	66.1	0	0	0	0	114.9	Y58 I77 S105 S137 N140	Y58-S107 WeakPolarHBondContact CD1-O 3.48Å; Y58-S107 WeakPolarHBondContact O-CB 3.29Å; Y58-S107 PolarHBondContact O-OG 2.76Å; I77-S107 VanDerWaalsContact CD1-OG 3.31Å; I77-S107 WeakPolarHBondContact CD1-OG 3Å; S105-S107 PolarHBondContact O-N 2.79Å; S105-S107 VanDerWaalsContact O-N 3.07Å; S107-S137 VanDerWaalsContact C-CB 3.42Å; S107-S137 WeakPolarHBondContact O-CA 3.47Å; S107-S137 WeakPolarHBondContact O-CB 3.19Å; S107-N140 PolarHBondContact O-ND2 3.45Å; S107-N140 VanDerWaalsContact O-ND2 3.08Å
108	G	98.7	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	85.9	2.2	-176.9	0	0	0	0	0	114.9	S105 G106 T111 A112	S105-G108 PolarHBondContact O-N 2.73Å; G106-G108 VanDerWaalsContact C-N 3.26Å; G106-G108 PolarHBondContact O-N 2.77Å; G108-T111 PolarHBondContact O-N 3.39Å; G108-A112 PolarHBondContact O-N 3.38Å
109	Y	98.8	Very high	98.7	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-59.6	-53.9	-175.4	174.5	-102.8	0	0	0	113	M50 V53 R55 Y58 I77 H83 A112 C113	M50-Y109 WeakPolarHBondContact CE-OH 3.38Å; V53-Y109 HydrophobicContact CB-CE2 4.26Å; V53-Y109 HydrophobicContact CG1-CD2 3.72Å; V53-Y109 HydrophobicContact CG1-CE2 3.72Å; R55-Y109 HydrophobicContact CB-CD2 4.16Å; R55-Y109 HydrophobicContact CB-CE2 3.62Å; R55-Y109 HydrophobicContact CG-CD2 4.16Å; R55-Y109 HydrophobicContact CG-CE2 3.95Å; Y58-Y109 VanDerWaalsContact CD1-CA 3.46Å; Y58-Y109 AromaticContact CD2-CD2 3.83Å; Y58-Y109 HydrophobicContact CD2-CD2 3.83Å; Y58-Y109 HydrophobicContact CE2-CD2 4.35Å; Y58-Y109 AromaticContact CG-CD2 3.94Å; Y58-Y109 HydrophobicContact CG-CD2 3.94Å; Y58-Y109 HydrophobicContact CG-CG 4.4Å; I77-Y109 HydrophobicContact CD1-CG 4.29Å; H83-Y109 HydrophobicContact CB-CD1 4.48Å; H83-Y109 HydrophobicContact CB-CE1 3.99Å; H83-Y109 AromaticContact CE1-CD1 3.61Å; H83-Y109 AromaticContact CG-CD1 3.88Å; H83-Y109 AromaticContact CG-CE1 3.84Å; H83-Y109 AromaticContact ND1-CD1 3.34Å; H83-Y109 VanDerWaalsContact ND1-CD1 3.34Å; H83-Y109 WeakPolarHBondContact ND1-CD1 3.34Å; H83-Y109 AromaticContact ND1-CE1 3.44Å; H83-Y109 WeakPolarHBondContact ND1-CE1 3.41Å; Y109-A112 PolarHBondContact O-N 3.22Å; Y109-C113 PolarHBondContact O-N 3.05Å; Y109-C113 PolarHBondContact O-SG 3.49Å
110	L	98.8	Very high	98.7	Very high	4 Å²	4	11 Å²	11	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-69.9	-37.1	-176.5	-173.7	65.9	0	0	0	111.1	H83 A86 L87 A112 C113 F114 H175	H83-L110 HydrophobicContact CB-CD1 4.17Å; A86-L110 HydrophobicContact CB-CD2 4.25Å; L87-L110 HydrophobicContact CD1-CD1 4.16Å; L87-L110 HydrophobicContact CD2-CD1 3.92Å; L87-L110 HydrophobicContact CG-CD1 3.77Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 3.1Å; L110-C113 HydrophobicContact CD1-CB 4.44Å; L110-C113 WeakPolarHBondContact O-CB 3.33Å; L110-C113 PolarHBondContact O-N 3.17Å; L110-C113 VanDerWaalsContact O-N 3.13Å; L110-F114 HydrophobicContact CD1-CD1 4.24Å; L110-F114 HydrophobicContact CD1-CE1 3.68Å; L110-F114 HydrophobicContact CD1-CZ 4.22Å; L110-F114 HydrophobicContact CD2-CE1 4.05Å; L110-F114 HydrophobicContact CD2-CE2 4.44Å; L110-F114 HydrophobicContact CD2-CZ 3.72Å; L110-F114 HydrophobicContact CG-CD1 4.21Å; L110-F114 HydrophobicContact CG-CE1 3.63Å; L110-F114 HydrophobicContact CG-CE2 4.33Å; L110-F114 HydrophobicContact CG-CZ 3.7Å; L110-F114 WeakPolarHBondContact O-CD1 3.36Å; L110-F114 WeakPolarHBondContact O-CG 3.17Å; L110-F114 PolarHBondContact O-N 3.33Å; L110-H175 HydrophobicContact CD2-CB 4.3Å; L110-H175 WeakPolarHBondContact CD2-CE1 3.37Å; L110-H175 VanDerWaalsContact CD2-ND1 3.33Å; L110-H175 WeakPolarHBondContact CD2-ND1 3.31Å
111	T	98.9	Very high	98.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.6	-42.8	171.4	-46.7	0	0	0	0	111.8	D102 S105 G108 F114 A115 A124 V154 L156	D102-T111 WeakPolarHBondContact CB-OG1 3.23Å; D102-T111 PolarHBondContact OD2-N 2.84Å; D102-T111 PolarHBondContact OD2-OG1 3.01Å; S105-T111 WeakPolarHBondContact CB-OG1 3.35Å; G108-T111 PolarHBondContact O-N 3.39Å; T111-F114 WeakPolarHBondContact O-CB 3.24Å; T111-F114 PolarHBondContact O-N 3.08Å; T111-A115 PolarHBondContact O-N 3.45Å; T111-A124 HydrophobicContact CG2-CB 3.83Å; T111-A124 VanDerWaalsContact O-CB 3.27Å; T111-A124 WeakPolarHBondContact O-CB 3.14Å; T111-V154 HydrophobicContact CG2-CG1 4.11Å; T111-L156 HydrophobicContact CG2-CD2 4.24Å
112	A	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-42.9	175.1	0	0	0	0	0	112	V53 Y58 G108 Y109 L110 F114 A115 V116 V141 L148	V53-A112 HydrophobicContact CG1-CB 3.92Å; V53-A112 HydrophobicContact CG2-CB 4.15Å; Y58-A112 HydrophobicContact CE1-CB 4.25Å; Y58-A112 WeakPolarHBondContact OH-CB 3.02Å; G108-A112 PolarHBondContact O-N 3.38Å; Y109-A112 PolarHBondContact O-N 3.22Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 3.1Å; A112-F114 VanDerWaalsContact C-N 3.29Å; A112-F114 PolarHBondContact O-N 3.4Å; A112-A115 PolarHBondContact O-N 3.1Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-V116 PolarHBondContact O-N 2.96Å; A112-V141 HydrophobicContact CB-CG2 4.48Å; A112-L148 HydrophobicContact CB-CD1 4.14Å
113	C	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-39.5	174.1	-68.8	0	0	0	0	112.1	L87 Y109 L110 V116 L117	L87-C113 HydrophobicContact CD1-CB 4.07Å; L87-C113 HydrophobicContact CD2-CB 3.92Å; Y109-C113 PolarHBondContact O-N 3.05Å; Y109-C113 PolarHBondContact O-SG 3.49Å; L110-C113 HydrophobicContact CD1-CB 4.44Å; L110-C113 WeakPolarHBondContact O-CB 3.33Å; L110-C113 PolarHBondContact O-N 3.17Å; L110-C113 VanDerWaalsContact O-N 3.13Å; C113-V116 PolarHBondContact O-N 2.91Å; C113-L117 PolarHBondContact O-N 3.46Å
114	F	98.9	Very high	98.6	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-48.8	173.7	-69.9	-5	0	0	0	110.9	L87 L90 L94 A100 D102 L110 T111 A112 V116 L117 L118 A124 H175	L87-F114 HydrophobicContact CD2-CD1 3.65Å; L87-F114 HydrophobicContact CD2-CE1 3.7Å; L90-F114 HydrophobicContact CD1-CE1 4.2Å; L90-F114 HydrophobicContact CD1-CE2 4.49Å; L90-F114 HydrophobicContact CD1-CZ 3.71Å; L94-F114 HydrophobicContact CD1-CD1 3.41Å; L94-F114 VanDerWaalsContact CD1-CD1 3.41Å; L94-F114 HydrophobicContact CD1-CE1 3.58Å; L94-F114 HydrophobicContact CD1-CG 4.16Å; L94-F114 HydrophobicContact CD1-CZ 4.44Å; L94-F114 HydrophobicContact CD2-CB 4.1Å; L94-F114 HydrophobicContact CD2-CD1 4.02Å; L94-F114 HydrophobicContact CD2-CD2 4.31Å; L94-F114 HydrophobicContact CD2-CG 3.89Å; L94-F114 HydrophobicContact CG-CD1 4.38Å; A100-F114 HydrophobicContact CB-CB 4.42Å; A100-F114 HydrophobicContact CB-CD2 3.84Å; A100-F114 HydrophobicContact CB-CE2 4.48Å; A100-F114 HydrophobicContact CB-CG 4.38Å; D102-F114 HydrophobicContact CB-CD2 4.23Å; D102-F114 HydrophobicContact CB-CE2 3.98Å; L110-F114 HydrophobicContact CD1-CD1 4.24Å; L110-F114 HydrophobicContact CD1-CE1 3.68Å; L110-F114 HydrophobicContact CD1-CZ 4.22Å; L110-F114 HydrophobicContact CD2-CE1 4.05Å; L110-F114 HydrophobicContact CD2-CE2 4.44Å; L110-F114 HydrophobicContact CD2-CZ 3.72Å; L110-F114 HydrophobicContact CG-CD1 4.21Å; L110-F114 HydrophobicContact CG-CE1 3.63Å; L110-F114 HydrophobicContact CG-CE2 4.33Å; L110-F114 HydrophobicContact CG-CZ 3.7Å; L110-F114 WeakPolarHBondContact O-CD1 3.36Å; L110-F114 WeakPolarHBondContact O-CG 3.17Å; L110-F114 PolarHBondContact O-N 3.33Å; T111-F114 WeakPolarHBondContact O-CB 3.24Å; T111-F114 PolarHBondContact O-N 3.08Å; A112-F114 VanDerWaalsContact C-N 3.29Å; A112-F114 PolarHBondContact O-N 3.4Å; F114-V116 VanDerWaalsContact C-N 3.26Å; F114-V116 PolarHBondContact O-N 2.8Å; F114-L117 PolarHBondContact O-N 2.77Å; F114-L117 VanDerWaalsContact O-N 3.08Å; F114-L118 HydrophobicContact CB-CD1 4.41Å; F114-L118 WeakPolarHBondContact O-CB 3.4Å; F114-L118 WeakPolarHBondContact O-CG 3.42Å; F114-L118 PolarHBondContact O-N 3.02Å; F114-A124 HydrophobicContact CB-CB 3.84Å; F114-H175 HydrophobicContact CE2-CB 3.84Å; F114-H175 HydrophobicContact CZ-CB 3.63Å
115	A	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-38.6	179.6	0	0	0	0	0	112.5	T111 A112 L118 G119 A124 L148 R153 V154	T111-A115 PolarHBondContact O-N 3.45Å; A112-A115 PolarHBondContact O-N 3.1Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A115-L118 PolarHBondContact O-N 3.39Å; A115-G119 PolarHBondContact O-N 3.12Å; A115-A124 HydrophobicContact CB-CB 3.92Å; A115-L148 HydrophobicContact CB-CD1 4.13Å; A115-L148 HydrophobicContact CB-CD2 4.07Å; A115-R153 PolarHBondContact O-NH2 3.46Å; A115-V154 HydrophobicContact CB-CG2 3.41Å; A115-V154 VanDerWaalsContact CB-CG2 3.41Å
116	V	98.7	Very high	98.7	Very high	43 Å²	43	16 Å²	16	26%	0.261	10%	0.1	S	C	.	.	H	α-helix	trans	-58.1	-49.3	173.9	173.8	0	0	0	0	111.4	A49 A52 V53 A112 C113 F114 G119 L148	A49-V116 HydrophobicContact CB-CB 4.49Å; A49-V116 HydrophobicContact CB-CG1 4.21Å; A52-V116 HydrophobicContact CB-CG1 4.09Å; A52-V116 HydrophobicContact CB-CG2 4.25Å; V53-V116 HydrophobicContact CG2-CG2 3.78Å; A112-V116 PolarHBondContact O-N 2.96Å; C113-V116 PolarHBondContact O-N 2.91Å; F114-V116 VanDerWaalsContact C-N 3.26Å; F114-V116 PolarHBondContact O-N 2.8Å; V116-G119 PolarHBondContact O-N 2.93Å; V116-L148 HydrophobicContact CG2-CD1 4.34Å
117	L	98.8	Very high	98.7	Very high	27 Å²	27	15.9 Å²	15.9	14%	0.141	10%	0.098	C	C	.	.	H	α-helix	trans	-68.2	-34.3	179.9	-71.7	176.5	0	0	0	113.5	T45 A49 L87 L94 C113 F114 G119	T45-L117 WeakPolarHBondContact O-CD2 3.35Å; A49-L117 HydrophobicContact CB-CD1 4.17Å; A49-L117 HydrophobicContact CB-CD2 3.71Å; A49-L117 HydrophobicContact CB-CG 3.63Å; L87-L117 HydrophobicContact CD2-CD1 3.7Å; L94-L117 HydrophobicContact CB-CB 3.86Å; L94-L117 HydrophobicContact CB-CD1 4.03Å; L94-L117 HydrophobicContact CD1-CD1 3.85Å; L94-L117 CarbonylContact O-C 3.5Å; L94-L117 WeakPolarHBondContact O-CB 3.42Å; C113-L117 PolarHBondContact O-N 3.46Å; F114-L117 PolarHBondContact O-N 2.77Å; F114-L117 VanDerWaalsContact O-N 3.08Å; L117-G119 PolarHBondContact O-N 3.23Å
118	L	98.8	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.9	-10	177.5	-69.1	174	0	0	0	113.5	L94 E96 G97 K98 A100 F114 A115 G122 K123 A124	L94-L118 HydrophobicContact CB-CD2 4.43Å; L94-L118 HydrophobicContact CD2-CD2 4.13Å; L94-L118 HydrophobicContact CD2-CG 4.24Å; E96-L118 CarbonylContact C-O 3.46Å; E96-L118 VanDerWaalsContact CA-O 3.23Å; E96-L118 WeakPolarHBondContact CA-O 3.48Å; G97-L118 PolarHBondContact N-O 3.48Å; K98-L118 HydrophobicContact CB-CD2 3.63Å; A100-L118 HydrophobicContact CB-CD1 3.86Å; F114-L118 HydrophobicContact CB-CD1 4.41Å; F114-L118 WeakPolarHBondContact O-CB 3.4Å; F114-L118 WeakPolarHBondContact O-CG 3.42Å; F114-L118 PolarHBondContact O-N 3.02Å; A115-L118 PolarHBondContact O-N 3.39Å; L118-G122 WeakPolarHBondContact O-CA 3.5Å; L118-G122 PolarHBondContact O-N 3.05Å; L118-K123 VanDerWaalsContact CD1-C 3.48Å; L118-K123 VanDerWaalsContact CD1-O 3.31Å; L118-K123 WeakPolarHBondContact CD1-O 3.42Å; L118-A124 HydrophobicContact CD1-CB 4.06Å
119	G	98.3	Very high	98.7	Very high	7 Å²	7	17.5 Å²	17.5	7%	0.072	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-176	174	0	0	0	0	0	115	E96 A115 V116 L117 S121 G122 R153	E96-G119 VanDerWaalsContact OE2-CA 3.24Å; E96-G119 WeakPolarHBondContact OE2-CA 3.35Å; A115-G119 PolarHBondContact O-N 3.12Å; V116-G119 PolarHBondContact O-N 2.93Å; L117-G119 PolarHBondContact O-N 3.23Å; G119-S121 VanDerWaalsContact C-N 3.28Å; G119-S121 PolarHBondContact O-N 2.69Å; G119-G122 PolarHBondContact O-N 3.5Å; G119-R153 VanDerWaalsContact O-CZ 3.23Å; G119-R153 PolarHBondContact O-NE 3.26Å; G119-R153 PolarHBondContact O-NH2 3.05Å
120	P	97.8	Very high	98.6	Very high	100 Å²	100	17.4 Å²	17.4	65%	0.649	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.6	-167.3	-26.8	37.9	0	0	0	115.5	E96	E96-P120 WeakPolarHBondContact OE2-CD 3.31Å
121	S	98.1	Very high	98.6	Very high	85 Å²	85	19.7 Å²	19.7	59%	0.594	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-7.3	179.4	68.8	0	0	0	0	113.9	E96 G97 G119	E96-S121 WeakPolarHBondContact OE1-CB 3.36Å; E96-S121 PolarHBondContact OE1-N 2.83Å; E96-S121 PolarHBondContact OE1-OG 2.85Å; G97-S121 WeakPolarHBondContact CA-OG 3.33Å; G97-S121 PolarHBondContact N-OG 3.04Å; G119-S121 VanDerWaalsContact C-N 3.28Å; G119-S121 PolarHBondContact O-N 2.69Å
122	G	98.6	Very high	98.6	Very high	4 Å²	4	23.4 Å²	23.4	4%	0.041	14%	0.137	C	C	.	.			trans	-89.6	169.9	178.7	0	0	0	0	0	113.8	K98 L118 G119	K98-G122 WeakPolarHBondContact O-CA 3.47Å; L118-G122 WeakPolarHBondContact O-CA 3.5Å; L118-G122 PolarHBondContact O-N 3.05Å; G119-G122 PolarHBondContact O-N 3.5Å
123	K	98.8	Very high	98.5	Very high	55 Å²	55	23.5 Å²	23.5	24%	0.239	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	125.3	-175.4	-171.6	172.9	-168.2	174.5	0	112.9	K98 K99 A100 L118 G152 R153 E168	K98-K123 PolarHBondContact O-N 3.13Å; K99-K123 VanDerWaalsContact CA-O 3.28Å; K99-K123 WeakPolarHBondContact CA-O 3.16Å; K99-K123 HydrophobicContact CG-CB 4.29Å; K99-K123 WeakPolarHBondContact CG-O 3.36Å; A100-K123 PolarHBondContact N-O 3.37Å; L118-K123 VanDerWaalsContact CD1-C 3.48Å; L118-K123 VanDerWaalsContact CD1-O 3.31Å; L118-K123 WeakPolarHBondContact CD1-O 3.42Å; K123-G152 WeakPolarHBondContact CE-O 3.28Å; K123-R153 CarbonylContact C-O 3.56Å; K123-R153 WeakPolarHBondContact CA-O 3.18Å; K123-E168 IonicContact NZ-OE1 3.59Å; K123-E168 PolarHBondContact NZ-OE1 3.32Å; K123-E168 IonicContact NZ-OE2 3.8Å
124	A	98.9	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.7	170.5	0	0	0	0	0	110.2	T111 F114 A115 L118 R153 V154 L155	T111-A124 HydrophobicContact CG2-CB 3.83Å; T111-A124 VanDerWaalsContact O-CB 3.27Å; T111-A124 WeakPolarHBondContact O-CB 3.14Å; F114-A124 HydrophobicContact CB-CB 3.84Å; A115-A124 HydrophobicContact CB-CB 3.92Å; L118-A124 HydrophobicContact CD1-CB 4.06Å; A124-R153 PolarHBondContact N-O 2.86Å; A124-V154 WeakPolarHBondContact O-CA 3.46Å; A124-L155 PolarHBondContact O-N 2.89Å
125	V	99	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.7	175.6	-175.7	0	0	0	0	108.4	A100 L101 D102 L155 V157 Y165 E168 Y171	A100-V125 PolarHBondContact O-N 3.03Å; L101-V125 CarbonylContact C-O 3.53Å; L101-V125 WeakPolarHBondContact CA-O 3.23Å; L101-V125 HydrophobicContact CD1-CB 4.09Å; L101-V125 HydrophobicContact CD1-CG1 4Å; D102-V125 PolarHBondContact N-O 3.16Å; V125-L155 CarbonylContact C-O 3.56Å; V125-L155 VanDerWaalsContact CA-O 3.3Å; V125-L155 WeakPolarHBondContact CA-O 3.43Å; V125-L155 HydrophobicContact CG1-CD2 4.37Å; V125-L155 HydrophobicContact CG1-CG 4.47Å; V125-L155 HydrophobicContact CG2-CB 4.41Å; V125-L155 HydrophobicContact CG2-CD2 4.4Å; V125-V157 HydrophobicContact CG1-CG2 4.3Å; V125-Y165 HydrophobicContact CG1-CD1 3.74Å; V125-Y165 HydrophobicContact CG1-CE1 4.37Å; V125-Y165 HydrophobicContact CG1-CG 4.31Å; V125-E168 HydrophobicContact CG2-CB 3.88Å; V125-E168 HydrophobicContact CG2-CG 3.99Å; V125-Y171 HydrophobicContact CB-CE1 4.21Å; V125-Y171 HydrophobicContact CG2-CE1 3.99Å
126	G	98.9	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.2	169.9	0	0	0	0	0	110.4	D102 L155 L156 V157	D102-G126 WeakPolarHBondContact O-CA 3.48Å; G126-L155 PolarHBondContact N-O 2.6Å; G126-L156 WeakPolarHBondContact O-CA 3.48Å; G126-V157 WeakPolarHBondContact O-CG2 3.47Å; G126-V157 PolarHBondContact O-N 2.82Å
127	I	98.9	Very high	98.5	Very high	3 Å²	3	28 Å²	28	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	175.5	-175.7	168.8	0	0	0	110.4	L101 D102 V103 G104 S105 V157 G159 G164	L101-I127 HydrophobicContact CD1-CG2 3.92Å; D102-I127 PolarHBondContact O-N 3.35Å; V103-I127 HydrophobicContact CB-CG2 4.21Å; V103-I127 HydrophobicContact CG1-CG2 4.34Å; V103-I127 HydrophobicContact CG2-CG2 3.99Å; G104-I127 WeakPolarHBondContact CA-O 3.36Å; G104-I127 PolarHBondContact N-O 3.29Å; S105-I127 PolarHBondContact N-O 3.27Å; S105-I127 PolarHBondContact OG-N 3.38Å; I127-V157 HydrophobicContact CB-CG2 4.07Å; I127-V157 HydrophobicContact CG1-CG2 4.21Å; I127-G159 WeakPolarHBondContact CG1-O 3.3Å; I127-G164 WeakPolarHBondContact CD1-O 3.42Å
128	E	98.7	Very high	98.5	Very high	9 Å²	9	29 Å²	29	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	134.1	-175.9	166.7	59.4	-127.7	0	0	109.6	G106 I130 L133 V134 V157 V158 G159	G106-E128 PolarHBondContact N-OE2 3.41Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.46Å; E128-I130 PolarHBondContact OE1-N 3.06Å; E128-I130 VanDerWaalsContact OE1-N 3.1Å; E128-L133 HydrophobicContact CG-CB 3.83Å; E128-V134 HydrophobicContact CB-CG2 3.65Å; E128-V134 HydrophobicContact CG-CG2 3.78Å; E128-V134 WeakPolarHBondContact O-CG2 3.45Å; E128-V157 PolarHBondContact N-O 3.19Å; E128-V157 VanDerWaalsContact N-O 3.12Å; E128-V158 VanDerWaalsContact O-CA 3.28Å; E128-V158 WeakPolarHBondContact O-CA 3.34Å; E128-G159 CarbonylContact C-O 3.58Å; E128-G159 PolarHBondContact O-N 2.92Å
129	H	97.7	Very high	98.5	Very high	28 Å²	28	33 Å²	33	13%	0.13	18%	0.176	C	C	.	.	S	Bend	trans	-86.7	-7.3	-172.7	66.9	172.8	0	0	0	114.6	P131 G159 T235 D236 R237 Q240	H129-P131 WeakPolarHBondContact O-CD 3.3Å; H129-G159 VanDerWaalsContact CA-O 3.29Å; H129-G159 WeakPolarHBondContact CA-O 3.21Å; H129-G159 WeakPolarHBondContact CB-O 3.46Å; H129-G159 PolarHBondContact N-O 3.07Å; H129-T235 PolarHBondContact CE1-O 2.98Å; H129-T235 VanDerWaalsContact CE1-O 3.24Å; H129-T235 PolarHBondContact ND1-O 3.31Å; H129-D236 PolarHBondContact CE1-O 3.15Å; H129-R237 PolarHBondContact CE1-N 3.45Å; H129-R237 PolarHBondContact ND1-N 2.85Å; H129-Q240 PolarHBondContact CE1-OE1 2.71Å; H129-Q240 PolarHBondContact NE2-OE1 3.19Å
130	I	98.1	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.			trans	-97.6	109.9	172.7	-53.7	-57.4	0	0	0	109.9	Y73 E128 E132 L133 V134 R237 L241	Y73-I130 HydrophobicContact CD1-CG2 4.18Å; Y73-I130 HydrophobicContact CD2-CG2 4.02Å; Y73-I130 HydrophobicContact CG-CG2 3.82Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.46Å; E128-I130 PolarHBondContact OE1-N 3.06Å; E128-I130 VanDerWaalsContact OE1-N 3.1Å; I130-E132 HydrophobicContact CG2-CB 4.28Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.44Å; I130-E132 PolarHBondContact O-N 3.39Å; I130-L133 HydrophobicContact CB-CB 4.04Å; I130-L133 HydrophobicContact CB-CD1 3.88Å; I130-L133 HydrophobicContact CB-CG 3.92Å; I130-L133 HydrophobicContact CG1-CD1 4.03Å; I130-L133 HydrophobicContact CG2-CB 4.25Å; I130-L133 HydrophobicContact CG2-CD1 4.26Å; I130-L133 HydrophobicContact CG2-CG 3.89Å; I130-L133 PolarHBondContact O-N 3.08Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 3.32Å; I130-V134 VanDerWaalsContact O-N 3.11Å; I130-R237 HydrophobicContact CD1-CB 4.14Å; I130-R237 HydrophobicContact CD1-CG 3.62Å; I130-L241 HydrophobicContact CD1-CD1 4.31Å; I130-L241 HydrophobicContact CD1-CD2 4.35Å; I130-L241 HydrophobicContact CD1-CG 4.26Å
131	P	98.2	Very high	98.6	Very high	51 Å²	51	27.9 Å²	27.9	33%	0.331	14%	0.142	S	C	.	.	H	α-helix	trans	-54.3	-39.1	-179.3	-24.5	31.4	0	0	0	114	H129 L133 V134 E135 V158	H129-P131 WeakPolarHBondContact O-CD 3.3Å; P131-L133 VanDerWaalsContact C-N 3.32Å; P131-L133 PolarHBondContact O-N 3.25Å; P131-V134 WeakPolarHBondContact O-CB 3.43Å; P131-V134 PolarHBondContact O-N 3.28Å; P131-E135 PolarHBondContact O-N 3.27Å; P131-V158 HydrophobicContact CB-CG1 4.42Å; P131-V158 HydrophobicContact CB-CG2 4.18Å; P131-V158 HydrophobicContact CG-CG1 3.93Å
132	E	98.3	Very high	98.6	Very high	78 Å²	78	29 Å²	29	36%	0.364	13%	0.133	S	C	.	.	H	α-helix	trans	-67.9	-31.9	-179.3	-58.6	91.9	152.3	0	0	112.3	Y73 I130 W136	Y73-E132 HydrophobicContact CD2-CB 4.5Å; Y73-E132 HydrophobicContact CE1-CB 4.21Å; Y73-E132 HydrophobicContact CE1-CG 4.31Å; Y73-E132 HydrophobicContact CE2-CB 3.6Å; Y73-E132 VanDerWaalsContact CZ-CB 3.43Å; Y73-E132 VanDerWaalsContact OH-CB 3.25Å; Y73-E132 WeakPolarHBondContact OH-CB 3.38Å; Y73-E132 WeakPolarHBondContact OH-CG 3.41Å; I130-E132 HydrophobicContact CG2-CB 4.28Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.44Å; I130-E132 PolarHBondContact O-N 3.39Å; E132-W136 WeakPolarHBondContact O-CB 3.47Å; E132-W136 PolarHBondContact O-N 3.08Å; E132-W136 VanDerWaalsContact O-N 3.14Å
133	L	98.1	Very high	98.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-72.6	-36.7	171.8	-70.7	-179.9	0	0	0	111.2	I71 Y73 A75 E128 I130 P131 W136 S137	I71-L133 HydrophobicContact CD1-CD1 4.48Å; I71-L133 HydrophobicContact CD1-CD2 4.27Å; I71-L133 HydrophobicContact CG1-CD2 4.25Å; I71-L133 VanDerWaalsContact O-CD2 3.29Å; I71-L133 WeakPolarHBondContact O-CD2 3.27Å; Y73-L133 HydrophobicContact CD2-CD1 4.48Å; Y73-L133 HydrophobicContact CD2-CD2 3.76Å; Y73-L133 HydrophobicContact CD2-CG 3.79Å; Y73-L133 HydrophobicContact CE2-CD2 4.34Å; Y73-L133 HydrophobicContact CE2-CG 4.49Å; A75-L133 HydrophobicContact CB-CD1 3.62Å; E128-L133 HydrophobicContact CG-CB 3.83Å; I130-L133 HydrophobicContact CB-CB 4.04Å; I130-L133 HydrophobicContact CB-CD1 3.88Å; I130-L133 HydrophobicContact CB-CG 3.92Å; I130-L133 HydrophobicContact CG1-CD1 4.03Å; I130-L133 HydrophobicContact CG2-CB 4.25Å; I130-L133 HydrophobicContact CG2-CD1 4.26Å; I130-L133 HydrophobicContact CG2-CG 3.89Å; I130-L133 PolarHBondContact O-N 3.08Å; P131-L133 VanDerWaalsContact C-N 3.32Å; P131-L133 PolarHBondContact O-N 3.25Å; L133-W136 HydrophobicContact CD2-CE3 4.06Å; L133-W136 PolarHBondContact O-N 3.39Å; L133-S137 VanDerWaalsContact O-CB 3.31Å; L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 2.96Å; L133-S137 PolarHBondContact O-OG 3.14Å
134	V	98.7	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-47.9	176.4	177.5	0	0	0	0	110.9	E128 I130 P131 W136 S137 K138 L156 V158	E128-V134 HydrophobicContact CB-CG2 3.65Å; E128-V134 HydrophobicContact CG-CG2 3.78Å; E128-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 3.32Å; I130-V134 VanDerWaalsContact O-N 3.11Å; P131-V134 WeakPolarHBondContact O-CB 3.43Å; P131-V134 PolarHBondContact O-N 3.28Å; V134-W136 VanDerWaalsContact C-N 3.34Å; V134-W136 PolarHBondContact O-N 2.86Å; V134-S137 WeakPolarHBondContact CA-OG 3.39Å; V134-S137 PolarHBondContact O-N 3.36Å; V134-S137 PolarHBondContact O-OG 3.46Å; V134-K138 WeakPolarHBondContact O-CG 3.42Å; V134-K138 PolarHBondContact O-N 2.95Å; V134-L156 HydrophobicContact CG1-CB 4.38Å; V134-V158 HydrophobicContact CB-CG2 3.86Å; V134-V158 HydrophobicContact CG1-CG2 3.95Å; V134-V158 HydrophobicContact CG2-CB 4.38Å; V134-V158 HydrophobicContact CG2-CG2 3.76Å
135	E	98.7	Very high	98.5	Very high	99 Å²	99	34.2 Å²	34.2	46%	0.463	16%	0.158	S	C	.	.	H	α-helix	trans	-63.6	-40.7	176.8	-67.9	-50.8	123.2	0	0	112.2	P131 S137 K138 E139	P131-E135 PolarHBondContact O-N 3.27Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 3.35Å; E135-K138 PolarHBondContact O-N 3.49Å; E135-K138 IonicContact OE1-NZ 3.14Å; E135-K138 PolarHBondContact OE1-NZ 3.37Å; E135-K138 IonicContact OE2-NZ 2.81Å; E135-E139 PolarHBondContact O-N 3.44Å; E135-E139 VanDerWaalsContact O-N 3.15Å
136	W	98.6	Very high	98.4	Very high	41 Å²	41	37 Å²	37	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-37.8	174.8	-177.1	52.9	0	0	0	112.4	Y58 R60 I71 E132 L133 V134 E139 N140	Y58-W136 WeakPolarHBondContact O-CH2 3.43Å; R60-W136 HydrophobicContact CG-CH2 4.45Å; R60-W136 HydrophobicContact CG-CZ2 3.84Å; I71-W136 HydrophobicContact CB-CH2 3.93Å; I71-W136 HydrophobicContact CB-CZ3 3.53Å; I71-W136 HydrophobicContact CD1-CZ3 4.25Å; I71-W136 HydrophobicContact CG1-CZ3 4.42Å; I71-W136 HydrophobicContact CG2-CH2 3.68Å; I71-W136 HydrophobicContact CG2-CZ3 3.68Å; E132-W136 WeakPolarHBondContact O-CB 3.47Å; E132-W136 PolarHBondContact O-N 3.08Å; E132-W136 VanDerWaalsContact O-N 3.14Å; L133-W136 HydrophobicContact CD2-CE3 4.06Å; L133-W136 PolarHBondContact O-N 3.39Å; V134-W136 VanDerWaalsContact C-N 3.34Å; V134-W136 PolarHBondContact O-N 2.86Å; W136-E139 WeakPolarHBondContact O-CB 3.49Å; W136-E139 PolarHBondContact O-N 2.87Å; W136-N140 PolarHBondContact NE1-OD1 3.04Å; W136-N140 VanDerWaalsContact NE1-OD1 3.15Å; W136-N140 PolarHBondContact O-N 2.67Å; W136-N140 PolarHBondContact O-ND2 2.97Å; W136-N140 PolarHBondContact O-OD1 3.3Å
137	S	98.7	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-39.5	176.9	73.4	0	0	0	0	112.4	G106 S107 L133 V134 E135 E139 N140 V141 L156	G106-S137 WeakPolarHBondContact O-CB 3.35Å; S107-S137 VanDerWaalsContact C-CB 3.42Å; S107-S137 WeakPolarHBondContact O-CA 3.47Å; S107-S137 WeakPolarHBondContact O-CB 3.19Å; L133-S137 VanDerWaalsContact O-CB 3.31Å; L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 2.96Å; L133-S137 PolarHBondContact O-OG 3.14Å; V134-S137 WeakPolarHBondContact CA-OG 3.39Å; V134-S137 PolarHBondContact O-N 3.36Å; V134-S137 PolarHBondContact O-OG 3.46Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 3.35Å; S137-E139 VanDerWaalsContact C-N 3.3Å; S137-E139 PolarHBondContact O-N 3.33Å; S137-N140 PolarHBondContact O-N 3.42Å; S137-V141 WeakPolarHBondContact O-CG2 3.35Å; S137-V141 PolarHBondContact O-N 3.47Å; S137-L156 WeakPolarHBondContact OG-CD1 3.31Å
138	K	98.8	Very high	98.4	Very high	47 Å²	47	41.1 Å²	41.1	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-42.1	173.6	-68.9	170.4	-175.7	167.5	0	110.9	V134 E135 V141 R142 I149 L156	V134-K138 WeakPolarHBondContact O-CG 3.42Å; V134-K138 PolarHBondContact O-N 2.95Å; E135-K138 PolarHBondContact O-N 3.49Å; E135-K138 IonicContact OE1-NZ 3.14Å; E135-K138 PolarHBondContact OE1-NZ 3.37Å; E135-K138 IonicContact OE2-NZ 2.81Å; K138-V141 PolarHBondContact O-N 3.4Å; K138-R142 WeakPolarHBondContact O-CG 3.26Å; K138-R142 PolarHBondContact O-N 2.98Å; K138-I149 HydrophobicContact CB-CD1 3.94Å; K138-I149 HydrophobicContact CG-CD1 4.13Å; K138-L156 HydrophobicContact CB-CD1 4.43Å; K138-L156 WeakPolarHBondContact CE-O 3.27Å; K138-L156 HydrophobicContact CG-CB 3.95Å; K138-L156 HydrophobicContact CG-CD1 3.88Å
139	E	98.6	Very high	98.3	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	20%	0.203	S	C	.	.	H	α-helix	trans	-65.1	-41.5	176.3	-178.2	55.6	-156.7	0	0	112.5	E135 W136 S137 V141 R142 R143	E135-E139 PolarHBondContact O-N 3.44Å; E135-E139 VanDerWaalsContact O-N 3.15Å; W136-E139 WeakPolarHBondContact O-CB 3.49Å; W136-E139 PolarHBondContact O-N 2.87Å; S137-E139 VanDerWaalsContact C-N 3.3Å; S137-E139 PolarHBondContact O-N 3.33Å; E139-V141 VanDerWaalsContact C-N 3.33Å; E139-V141 PolarHBondContact O-N 3.18Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-R142 IonicContact OE2-NH1 2.73Å; E139-R143 WeakPolarHBondContact O-CG 3.49Å; E139-R143 PolarHBondContact O-N 3.19Å; E139-R143 WeakPolarHBondContact OE1-CD 3.46Å; E139-R143 WeakPolarHBondContact OE1-CG 3.36Å
140	N	98.7	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-45.7	175.6	-62.7	-22.8	0	0	0	111.2	F57 Y58 S107 W136 S137 R143 G144	F57-N140 WeakPolarHBondContact O-CB 3.12Å; F57-N140 PolarHBondContact O-OD1 3.01Å; F57-N140 VanDerWaalsContact O-OD1 3.05Å; Y58-N140 HydrophobicContact CD1-CB 3.7Å; Y58-N140 HydrophobicContact CE1-CB 3.97Å; Y58-N140 HydrophobicContact CG-CB 4.26Å; S107-N140 PolarHBondContact O-ND2 3.45Å; S107-N140 VanDerWaalsContact O-ND2 3.08Å; W136-N140 PolarHBondContact NE1-OD1 3.04Å; W136-N140 VanDerWaalsContact NE1-OD1 3.15Å; W136-N140 PolarHBondContact O-N 2.67Å; W136-N140 PolarHBondContact O-ND2 2.97Å; W136-N140 PolarHBondContact O-OD1 3.3Å; S137-N140 PolarHBondContact O-N 3.42Å; N140-R143 PolarHBondContact O-N 3.03Å; N140-G144 PolarHBondContact O-N 3.43Å
141	V	98.8	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-43.8	176.8	177.9	0	0	0	0	111.2	Y58 A112 S137 K138 E139 R143 G144 N145 L148 I149 V154 L156	Y58-V141 HydrophobicContact CE1-CG2 3.89Å; A112-V141 HydrophobicContact CB-CG2 4.48Å; S137-V141 WeakPolarHBondContact O-CG2 3.35Å; S137-V141 PolarHBondContact O-N 3.47Å; K138-V141 PolarHBondContact O-N 3.4Å; E139-V141 VanDerWaalsContact C-N 3.33Å; E139-V141 PolarHBondContact O-N 3.18Å; V141-R143 PolarHBondContact O-N 3.45Å; V141-G144 PolarHBondContact O-N 2.71Å; V141-N145 CarbonylContact O-C 3.4Å; V141-N145 WeakPolarHBondContact O-CA 3.47Å; V141-N145 PolarHBondContact O-N 3.41Å; V141-L148 HydrophobicContact CG1-CB 4.22Å; V141-I149 HydrophobicContact CG1-CB 3.94Å; V141-I149 HydrophobicContact CG1-CG2 4.22Å; V141-V154 HydrophobicContact CG1-CG1 4.45Å; V141-V154 HydrophobicContact CG2-CG1 4.38Å; V141-L156 HydrophobicContact CG2-CD1 3.97Å
142	R	98.5	Very high	98.3	Very high	107 Å²	107	49.7 Å²	49.7	40%	0.404	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-36.8	175.6	-75.1	-178.8	-164.3	111.6	1.9	113	K138 E139 P146 I149	K138-R142 WeakPolarHBondContact O-CG 3.26Å; K138-R142 PolarHBondContact O-N 2.98Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-R142 IonicContact OE2-NH1 2.73Å; R142-P146 WeakPolarHBondContact O-CB 3.46Å; R142-P146 WeakPolarHBondContact O-CD 3.46Å; R142-I149 HydrophobicContact CG-CD1 4.24Å; R142-I149 HydrophobicContact CG-CG2 3.65Å
143	R	98.3	Very high	98.3	Very high	133 Å²	133	47.6 Å²	47.6	50%	0.502	25%	0.245	S	C	.	.	H	α-helix	trans	-78.4	-40	-179.3	-70.4	171.1	60.3	-143.8	-2	113	F57 E139 N140 V141	F57-R143 HydrophobicContact CD1-CB 3.83Å; F57-R143 HydrophobicContact CE1-CB 4.34Å; E139-R143 WeakPolarHBondContact O-CG 3.49Å; E139-R143 PolarHBondContact O-N 3.19Å; E139-R143 WeakPolarHBondContact OE1-CD 3.46Å; E139-R143 WeakPolarHBondContact OE1-CG 3.36Å; N140-R143 PolarHBondContact O-N 3.03Å; V141-R143 PolarHBondContact O-N 3.45Å
144	G	97.3	Very high	98.3	Very high	21 Å²	21	47.7 Å²	47.7	22%	0.216	25%	0.246	C	C	.	.	H	α-helix	trans	-88.9	-37.4	-176	0	0	0	0	0	114.3	N140 V141	N140-G144 PolarHBondContact O-N 3.43Å; V141-G144 PolarHBondContact O-N 2.71Å
145	N	98.2	Very high	98.3	Very high	16 Å²	16	50 Å²	50	9%	0.086	26%	0.258	C	S	.	.			trans	-150.5	62.3	-169.7	-57.7	99.2	0	0	0	110.7	A52 Y58 V141 D147 L148	A52-N145 PolarHBondContact O-ND2 3.07Å; Y58-N145 PolarHBondContact OH-OD1 3.34Å; V141-N145 CarbonylContact O-C 3.4Å; V141-N145 WeakPolarHBondContact O-CA 3.47Å; V141-N145 PolarHBondContact O-N 3.41Å; N145-D147 PolarHBondContact O-N 3.11Å; N145-L148 HydrophobicContact CB-CB 4.4Å; N145-L148 HydrophobicContact CB-CD1 3.55Å; N145-L148 HydrophobicContact CB-CG 3.84Å; N145-L148 WeakPolarHBondContact O-CB 3.48Å; N145-L148 PolarHBondContact O-N 3.23Å
146	P	98	Very high	98.3	Very high	59 Å²	59	45.7 Å²	45.7	38%	0.383	24%	0.238	S	C	.	.	H	α-helix	trans	-57.4	-33.7	-173	20	-31.4	0	0	0	113.6	R142 L148 I149 D150	R142-P146 WeakPolarHBondContact O-CB 3.46Å; R142-P146 WeakPolarHBondContact O-CD 3.46Å; P146-L148 PolarHBondContact O-N 3.04Å; P146-I149 VanDerWaalsContact O-CG2 3.29Å; P146-I149 WeakPolarHBondContact O-CG2 3.45Å; P146-I149 PolarHBondContact O-N 3.04Å; P146-D150 WeakPolarHBondContact O-CB 3.47Å; P146-D150 VanDerWaalsContact O-CG 3.24Å; P146-D150 PolarHBondContact O-N 2.67Å
147	D	98.1	Very high	98.4	Very high	87 Å²	87	44.6 Å²	44.6	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-57.6	-34	177.9	68.2	-58.2	0	0	0	112.6	N145 S151 R153	N145-D147 PolarHBondContact O-N 3.11Å; D147-S151 WeakPolarHBondContact O-CB 3.45Å; D147-S151 PolarHBondContact O-N 2.77Å; D147-S151 PolarHBondContact O-OG 3.42Å; D147-R153 IonicContact OD2-NH1 3.57Å
148	L	98.6	Very high	98.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-38	-177.6	-63.4	-176.5	0	0	0	112.7	A112 A115 V116 V141 N145 P146 R153 V154	A112-L148 HydrophobicContact CB-CD1 4.14Å; A115-L148 HydrophobicContact CB-CD1 4.13Å; A115-L148 HydrophobicContact CB-CD2 4.07Å; V116-L148 HydrophobicContact CG2-CD1 4.34Å; V141-L148 HydrophobicContact CG1-CB 4.22Å; N145-L148 HydrophobicContact CB-CB 4.4Å; N145-L148 HydrophobicContact CB-CD1 3.55Å; N145-L148 HydrophobicContact CB-CG 3.84Å; N145-L148 WeakPolarHBondContact O-CB 3.48Å; N145-L148 PolarHBondContact O-N 3.23Å; P146-L148 PolarHBondContact O-N 3.04Å; L148-R153 PolarHBondContact O-N 3.04Å; L148-V154 HydrophobicContact CB-CB 4.31Å; L148-V154 HydrophobicContact CB-CG2 3.79Å; L148-V154 HydrophobicContact CD1-CG2 4.23Å; L148-V154 PolarHBondContact O-N 3.45Å
149	I	97.6	Very high	98.3	Very high	29 Å²	29	47 Å²	47	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-84.9	-38.5	179.6	-168.3	167.7	0	0	0	111.4	K138 V141 R142 P146 S151 G152	K138-I149 HydrophobicContact CB-CD1 3.94Å; K138-I149 HydrophobicContact CG-CD1 4.13Å; V141-I149 HydrophobicContact CG1-CB 3.94Å; V141-I149 HydrophobicContact CG1-CG2 4.22Å; R142-I149 HydrophobicContact CG-CD1 4.24Å; R142-I149 HydrophobicContact CG-CG2 3.65Å; P146-I149 VanDerWaalsContact O-CG2 3.29Å; P146-I149 WeakPolarHBondContact O-CG2 3.45Å; P146-I149 PolarHBondContact O-N 3.04Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.34Å; I149-G152 PolarHBondContact O-N 3.09Å; I149-G152 VanDerWaalsContact O-N 3.09Å
150	D	97.8	Very high	98.3	Very high	128 Å²	128	45.1 Å²	45.1	68%	0.684	25%	0.251	S	S	*	.	H	α-helix	trans	-67	-34.8	-179.7	-67.3	-15.1	0	0	0	111.9	P146 G152	P146-D150 WeakPolarHBondContact O-CB 3.47Å; P146-D150 VanDerWaalsContact O-CG 3.24Å; P146-D150 PolarHBondContact O-N 2.67Å; D150-G152 VanDerWaalsContact C-N 3.31Å
151	S	97.7	Very high	98.3	Very high	75 Å²	75	45.4 Å²	45.4	52%	0.524	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.1	174	63.5	0	0	0	0	114.2	D147 I149 R153	D147-S151 WeakPolarHBondContact O-CB 3.45Å; D147-S151 PolarHBondContact O-N 2.77Å; D147-S151 PolarHBondContact O-OG 3.42Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.34Å; S151-R153 VanDerWaalsContact C-N 3.25Å; S151-R153 PolarHBondContact O-N 3.01Å; S151-R153 WeakPolarHBondContact OG-CD 3.16Å; S151-R153 VanDerWaalsContact OG-CG 3.3Å; S151-R153 WeakPolarHBondContact OG-CG 3.47Å
152	G	98	Very high	98.2	Very high	35 Å²	35	49.4 Å²	49.4	36%	0.361	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	11.3	-175.7	0	0	0	0	0	115.1	K123 I149 D150 V154	K123-G152 WeakPolarHBondContact CE-O 3.28Å; I149-G152 PolarHBondContact O-N 3.09Å; I149-G152 VanDerWaalsContact O-N 3.09Å; D150-G152 VanDerWaalsContact C-N 3.31Å; G152-V154 VanDerWaalsContact C-N 3.26Å; G152-V154 PolarHBondContact O-N 3.43Å
153	R	98.6	Very high	98.2	Very high	34 Å²	34	48.9 Å²	48.9	13%	0.128	27%	0.274	C	S	.	.	S	Bend	trans	-67.3	-27	173.7	-71.5	172.4	65.2	-158.3	-0	112.5	A115 G119 K123 A124 D147 L148 S151	A115-R153 PolarHBondContact O-NH2 3.46Å; G119-R153 VanDerWaalsContact O-CZ 3.23Å; G119-R153 PolarHBondContact O-NE 3.26Å; G119-R153 PolarHBondContact O-NH2 3.05Å; K123-R153 CarbonylContact C-O 3.56Å; K123-R153 WeakPolarHBondContact CA-O 3.18Å; A124-R153 PolarHBondContact N-O 2.86Å; D147-R153 IonicContact OD2-NH1 3.57Å; L148-R153 PolarHBondContact O-N 3.04Å; S151-R153 VanDerWaalsContact C-N 3.25Å; S151-R153 PolarHBondContact O-N 3.01Å; S151-R153 WeakPolarHBondContact OG-CD 3.16Å; S151-R153 VanDerWaalsContact OG-CG 3.3Å; S151-R153 WeakPolarHBondContact OG-CG 3.47Å
154	V	98.8	Very high	98.2	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	168.6	169.7	0	0	0	0	109.4	T111 A115 A124 V141 L148 G152 L156	T111-V154 HydrophobicContact CG2-CG1 4.11Å; A115-V154 HydrophobicContact CB-CG2 3.41Å; A115-V154 VanDerWaalsContact CB-CG2 3.41Å; A124-V154 WeakPolarHBondContact O-CA 3.46Å; V141-V154 HydrophobicContact CG1-CG1 4.45Å; V141-V154 HydrophobicContact CG2-CG1 4.38Å; L148-V154 HydrophobicContact CB-CB 4.31Å; L148-V154 HydrophobicContact CB-CG2 3.79Å; L148-V154 HydrophobicContact CD1-CG2 4.23Å; L148-V154 PolarHBondContact O-N 3.45Å; G152-V154 VanDerWaalsContact C-N 3.26Å; G152-V154 PolarHBondContact O-N 3.43Å; V154-L156 HydrophobicContact CG1-CD1 3.85Å; V154-L156 HydrophobicContact CG1-CD2 4.39Å; V154-L156 HydrophobicContact CG1-CG 3.77Å
155	L	98.8	Very high	98.3	Very high	48 Å²	48	44.1 Å²	44.1	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.9	170.7	173.4	62.5	0	0	0	109.2	A124 V125 G126 V157 Y165 E168	A124-L155 PolarHBondContact O-N 2.89Å; V125-L155 CarbonylContact C-O 3.56Å; V125-L155 VanDerWaalsContact CA-O 3.3Å; V125-L155 WeakPolarHBondContact CA-O 3.43Å; V125-L155 HydrophobicContact CG1-CD2 4.37Å; V125-L155 HydrophobicContact CG1-CG 4.47Å; V125-L155 HydrophobicContact CG2-CB 4.41Å; V125-L155 HydrophobicContact CG2-CD2 4.4Å; G126-L155 PolarHBondContact N-O 2.6Å; L155-V157 HydrophobicContact CD1-CG1 3.8Å; L155-V157 HydrophobicContact CD2-CG1 4.17Å; L155-V157 HydrophobicContact CG-CG1 3.8Å; L155-Y165 HydrophobicContact CD2-CE1 3.9Å; L155-E168 HydrophobicContact CD2-CG 3.92Å
156	L	98.9	Very high	98.3	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.1	179.5	-67.2	157.8	0	0	0	109.4	T111 G126 V134 S137 K138 V141 V154	T111-L156 HydrophobicContact CG2-CD2 4.24Å; G126-L156 WeakPolarHBondContact O-CA 3.48Å; V134-L156 HydrophobicContact CG1-CB 4.38Å; S137-L156 WeakPolarHBondContact OG-CD1 3.31Å; K138-L156 HydrophobicContact CB-CD1 4.43Å; K138-L156 WeakPolarHBondContact CE-O 3.27Å; K138-L156 HydrophobicContact CG-CB 3.95Å; K138-L156 HydrophobicContact CG-CD1 3.88Å; V141-L156 HydrophobicContact CG2-CD1 3.97Å; V154-L156 HydrophobicContact CG1-CD1 3.85Å; V154-L156 HydrophobicContact CG1-CD2 4.39Å; V154-L156 HydrophobicContact CG1-CG 3.77Å
157	V	98.8	Very high	98.3	Very high	18 Å²	18	50.6 Å²	50.6	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.3	-170.6	-67.8	0	0	0	0	112.4	V125 G126 I127 E128 L155 Y165	V125-V157 HydrophobicContact CG1-CG2 4.3Å; G126-V157 WeakPolarHBondContact O-CG2 3.47Å; G126-V157 PolarHBondContact O-N 2.82Å; I127-V157 HydrophobicContact CB-CG2 4.07Å; I127-V157 HydrophobicContact CG1-CG2 4.21Å; E128-V157 PolarHBondContact N-O 3.19Å; E128-V157 VanDerWaalsContact N-O 3.12Å; L155-V157 HydrophobicContact CD1-CG1 3.8Å; L155-V157 HydrophobicContact CD2-CG1 4.17Å; L155-V157 HydrophobicContact CG-CG1 3.8Å; V157-Y165 HydrophobicContact CB-CE2 4.25Å; V157-Y165 HydrophobicContact CG1-CE1 4.35Å; V157-Y165 HydrophobicContact CG1-CE2 4.22Å; V157-Y165 HydrophobicContact CG2-CD1 4.37Å; V157-Y165 HydrophobicContact CG2-CD2 3.82Å; V157-Y165 HydrophobicContact CG2-CE1 4.45Å; V157-Y165 HydrophobicContact CG2-CE2 3.95Å; V157-Y165 HydrophobicContact CG2-CG 4.05Å
158	V	98.7	Very high	98.3	Very high	76 Å²	76	48.2 Å²	48.2	46%	0.461	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127	169.9	-173.7	0	0	0	0	108.6	E128 P131 V134	E128-V158 VanDerWaalsContact O-CA 3.28Å; E128-V158 WeakPolarHBondContact O-CA 3.34Å; P131-V158 HydrophobicContact CB-CG1 4.42Å; P131-V158 HydrophobicContact CB-CG2 4.18Å; P131-V158 HydrophobicContact CG-CG1 3.93Å; V134-V158 HydrophobicContact CB-CG2 3.86Å; V134-V158 HydrophobicContact CG1-CG2 3.95Å; V134-V158 HydrophobicContact CG2-CB 4.38Å; V134-V158 HydrophobicContact CG2-CG2 3.76Å
159	G	98.1	Very high	98.3	Very high	22 Å²	22	49.7 Å²	49.7	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	178.1	165.1	173.5	0	0	0	0	0	113.7	I127 E128 H129 G161	I127-G159 WeakPolarHBondContact CG1-O 3.3Å; E128-G159 CarbonylContact C-O 3.58Å; E128-G159 PolarHBondContact O-N 2.92Å; H129-G159 VanDerWaalsContact CA-O 3.29Å; H129-G159 WeakPolarHBondContact CA-O 3.21Å; H129-G159 WeakPolarHBondContact CB-O 3.46Å; H129-G159 PolarHBondContact N-O 3.07Å; G159-G161 PolarHBondContact O-N 3.38Å
160	D	97.9	Very high	98.4	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	30%	0.299	C	S	.	.			trans	-75.1	108.1	173.7	-179.6	-7.7	0	0	0	110.1	R162 N163	D160-R162 PolarHBondContact O-N 3.08Å; D160-R162 VanDerWaalsContact O-N 3.12Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.42Å; D160-R162 WeakPolarHBondContact OD1-CG 3.39Å; D160-R162 IonicContact OD1-CZ 2.71Å; D160-R162 PolarHBondContact OD1-N 2.87Å; D160-R162 IonicContact OD1-NE 3.58Å; D160-R162 PolarHBondContact OD1-NE 3.05Å; D160-R162 IonicContact OD1-NH2 3.61Å; D160-R162 IonicContact OD2-CZ 2.65Å; D160-R162 VanDerWaalsContact OD2-CZ 3.29Å; D160-R162 IonicContact OD2-NE 2.89Å; D160-R162 PolarHBondContact OD2-NE 2.85Å; D160-R162 VanDerWaalsContact OD2-NE 3.09Å; D160-R162 IonicContact OD2-NH2 3.78Å; D160-R162 PolarHBondContact OD2-NH2 3.29Å; D160-N163 PolarHBondContact O-N 3.46Å; D160-N163 PolarHBondContact OD2-ND2 3.25Å
161	G	98.1	Very high	98.4	Very high	7 Å²	7	45.4 Å²	45.4	7%	0.072	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.4	-24.6	-178.4	0	0	0	0	0	115.1	V103 G159 N163 G164	V103-G161 WeakPolarHBondContact CG1-O 3.33Å; G159-G161 PolarHBondContact O-N 3.38Å; G161-N163 PolarHBondContact O-N 3.06Å; G161-G164 PolarHBondContact O-N 2.98Å
162	R	98.2	Very high	98.5	Very high	84 Å²	84	42.9 Å²	42.9	32%	0.317	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.8	176.9	-61.1	172.4	-63.2	-175.1	7.9	112.1	D160 L234 D236	D160-R162 PolarHBondContact O-N 3.08Å; D160-R162 VanDerWaalsContact O-N 3.12Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.42Å; D160-R162 WeakPolarHBondContact OD1-CG 3.39Å; D160-R162 IonicContact OD1-CZ 2.71Å; D160-R162 PolarHBondContact OD1-N 2.87Å; D160-R162 IonicContact OD1-NE 3.58Å; D160-R162 PolarHBondContact OD1-NE 3.05Å; D160-R162 IonicContact OD1-NH2 3.61Å; D160-R162 IonicContact OD2-CZ 2.65Å; D160-R162 VanDerWaalsContact OD2-CZ 3.29Å; D160-R162 IonicContact OD2-NE 2.89Å; D160-R162 PolarHBondContact OD2-NE 2.85Å; D160-R162 VanDerWaalsContact OD2-NE 3.09Å; D160-R162 IonicContact OD2-NH2 3.78Å; D160-R162 PolarHBondContact OD2-NH2 3.29Å; R162-L234 HydrophobicContact CG-CD1 4.32Å; R162-L234 HydrophobicContact CG-CD2 3.93Å; R162-L234 HydrophobicContact CG-CG 3.76Å; R162-D236 IonicContact NH1-OD2 3.25Å; R162-D236 IonicContact NH2-OD2 2.9Å
163	N	98.2	Very high	98.5	Very high	95 Å²	95	41.2 Å²	41.2	51%	0.508	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-94	0.7	178.9	-57.8	-46.6	0	0	0	112.7	D160 G161 Q190	D160-N163 PolarHBondContact O-N 3.46Å; D160-N163 PolarHBondContact OD2-ND2 3.25Å; G161-N163 PolarHBondContact O-N 3.06Å; N163-Q190 PolarHBondContact O-NE2 3.47Å
164	G	98.5	Very high	98.5	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	22%	0.224	C	C	.	.			trans	58	-153.1	-172.4	0	0	0	0	0	112.8	I127 G161 L187	I127-G164 WeakPolarHBondContact CD1-O 3.42Å; G161-G164 PolarHBondContact O-N 2.98Å; G164-L187 VanDerWaalsContact CA-CD2 3.43Å
165	Y	98.7	Very high	98.6	Very high	50 Å²	50	39.6 Å²	39.6	20%	0.196	22%	0.224	C	C	.	.			trans	-134.9	82.4	175.9	-171	-113.6	0	0	0	111.4	V125 L155 V157 N167 E168 A169 Y171	V125-Y165 HydrophobicContact CG1-CD1 3.74Å; V125-Y165 HydrophobicContact CG1-CE1 4.37Å; V125-Y165 HydrophobicContact CG1-CG 4.31Å; L155-Y165 HydrophobicContact CD2-CE1 3.9Å; V157-Y165 HydrophobicContact CB-CE2 4.25Å; V157-Y165 HydrophobicContact CG1-CE1 4.35Å; V157-Y165 HydrophobicContact CG1-CE2 4.22Å; V157-Y165 HydrophobicContact CG2-CD1 4.37Å; V157-Y165 HydrophobicContact CG2-CD2 3.82Å; V157-Y165 HydrophobicContact CG2-CE1 4.45Å; V157-Y165 HydrophobicContact CG2-CE2 3.95Å; V157-Y165 HydrophobicContact CG2-CG 4.05Å; Y165-N167 HydrophobicContact CD1-CB 4.31Å; Y165-N167 HydrophobicContact CE1-CB 3.75Å; Y165-N167 HydrophobicContact CE2-CB 4.24Å; Y165-N167 PolarHBondContact O-N 3.03Å; Y165-N167 PolarHBondContact OH-ND2 2.7Å; Y165-E168 HydrophobicContact CD1-CB 3.89Å; Y165-E168 HydrophobicContact CD1-CG 3.88Å; Y165-E168 HydrophobicContact CE1-CB 4.15Å; Y165-E168 HydrophobicContact CE1-CG 3.63Å; Y165-E168 PolarHBondContact O-N 3.25Å; Y165-A169 PolarHBondContact O-N 3.02Å; Y165-Y171 PolarHBondContact O-OH 3.18Å
166	P	98.5	Very high	98.6	Very high	82 Å²	82	37.3 Å²	37.3	53%	0.532	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-56.2	-27.9	-172.8	-27.4	34.4	0	0	0	115.3	E168 A169	P166-E168 PolarHBondContact O-N 3.22Å; P166-E168 VanDerWaalsContact O-N 3.12Å; P166-A169 WeakPolarHBondContact O-CB 3.38Å; P166-A169 PolarHBondContact O-N 3.25Å; P166-A169 VanDerWaalsContact O-N 3.14Å
167	N	98.4	Very high	98.5	Very high	129 Å²	129	37.4 Å²	37.4	69%	0.69	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-63	-19.8	-177.5	-65.8	-14.5	0	0	0	113.7	Y165	Y165-N167 HydrophobicContact CD1-CB 4.31Å; Y165-N167 HydrophobicContact CE1-CB 3.75Å; Y165-N167 HydrophobicContact CE2-CB 4.24Å; Y165-N167 PolarHBondContact O-N 3.03Å; Y165-N167 PolarHBondContact OH-ND2 2.7Å
168	E	98.3	Very high	98.4	Very high	38 Å²	38	37 Å²	37	18%	0.178	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-117.8	-1.6	176.2	-72.5	-74.1	171.3	0	0	112.7	K99 K123 V125 L155 Y165 P166 Y171	K99-E168 HydrophobicContact CD-CB 4.19Å; K99-E168 WeakPolarHBondContact CD-O 3.19Å; K99-E168 WeakPolarHBondContact CE-O 3.31Å; K99-E168 PolarHBondContact NZ-O 3.5Å; K99-E168 IonicContact NZ-OE2 3.29Å; K99-E168 PolarHBondContact NZ-OE2 2.92Å; K123-E168 IonicContact NZ-OE1 3.59Å; K123-E168 PolarHBondContact NZ-OE1 3.32Å; K123-E168 IonicContact NZ-OE2 3.8Å; V125-E168 HydrophobicContact CG2-CB 3.88Å; V125-E168 HydrophobicContact CG2-CG 3.99Å; L155-E168 HydrophobicContact CD2-CG 3.92Å; Y165-E168 HydrophobicContact CD1-CB 3.89Å; Y165-E168 HydrophobicContact CD1-CG 3.88Å; Y165-E168 HydrophobicContact CE1-CB 4.15Å; Y165-E168 HydrophobicContact CE1-CG 3.63Å; Y165-E168 PolarHBondContact O-N 3.25Å; P166-E168 PolarHBondContact O-N 3.22Å; P166-E168 VanDerWaalsContact O-N 3.12Å; E168-Y171 HydrophobicContact CB-CE1 4.2Å; E168-Y171 WeakPolarHBondContact CB-OH 3.44Å
169	A	98.2	Very high	98.4	Very high	33 Å²	33	33.6 Å²	33.6	27%	0.273	19%	0.193	S	C	.	.			trans	-61.9	156.6	174.8	0	0	0	0	0	111.3	Y165 P166 Y171 Q190	Y165-A169 PolarHBondContact O-N 3.02Å; P166-A169 WeakPolarHBondContact O-CB 3.38Å; P166-A169 PolarHBondContact O-N 3.25Å; P166-A169 VanDerWaalsContact O-N 3.14Å; A169-Y171 HydrophobicContact CB-CD2 4.34Å; A169-Y171 HydrophobicContact CB-CE2 3.95Å; A169-Q190 HydrophobicContact CB-CB 3.94Å; A169-Q190 HydrophobicContact CB-CG 3.75Å
170	P	98.7	Very high	98.4	Very high	66 Å²	66	32.6 Å²	32.6	43%	0.429	18%	0.183	S	C	.	.			cis	-88	160.7	-0.2	37.1	-37.2	0	0	0	113.5	Q190 K192	P170-Q190 CarbonylContact C-O 3.47Å; P170-Q190 WeakPolarHBondContact CA-O 3.42Å; P170-Q190 WeakPolarHBondContact CB-O 3.29Å; P170-K192 HydrophobicContact CB-CG 3.53Å; P170-K192 HydrophobicContact CG-CD 4.33Å; P170-K192 HydrophobicContact CG-CG 3.56Å; P170-K192 VanDerWaalsContact O-CE 3.28Å; P170-K192 WeakPolarHBondContact O-CE 3.45Å
171	Y	98.9	Very high	98.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.2	-175.8	-58.6	-78.9	0	0	0	112.9	K99 A100 L101 V125 Y165 E168 A169 I174 Q190 K192	K99-Y171 HydrophobicContact CB-CD1 4.34Å; K99-Y171 HydrophobicContact CD-CD1 3.85Å; K99-Y171 HydrophobicContact CD-CE1 3.77Å; K99-Y171 HydrophobicContact CG-CD1 3.77Å; K99-Y171 HydrophobicContact CG-CE1 3.98Å; A100-Y171 VanDerWaalsContact C-CD1 3.49Å; L101-Y171 HydrophobicContact CB-CD1 3.79Å; L101-Y171 HydrophobicContact CB-CD2 3.9Å; L101-Y171 HydrophobicContact CB-CE1 3.81Å; L101-Y171 HydrophobicContact CB-CE2 3.93Å; L101-Y171 HydrophobicContact CB-CG 3.82Å; L101-Y171 HydrophobicContact CD1-CE1 4.43Å; L101-Y171 HydrophobicContact CD1-CE2 4.41Å; L101-Y171 HydrophobicContact CD2-CD2 4.2Å; L101-Y171 HydrophobicContact CD2-CE2 3.84Å; L101-Y171 HydrophobicContact CG-CE2 4.28Å; V125-Y171 HydrophobicContact CB-CE1 4.21Å; V125-Y171 HydrophobicContact CG2-CE1 3.99Å; Y165-Y171 PolarHBondContact O-OH 3.18Å; E168-Y171 HydrophobicContact CB-CE1 4.2Å; E168-Y171 WeakPolarHBondContact CB-OH 3.44Å; A169-Y171 HydrophobicContact CB-CD2 4.34Å; A169-Y171 HydrophobicContact CB-CE2 3.95Å; Y171-I174 HydrophobicContact CD2-CD1 4.21Å; Y171-I174 HydrophobicContact CD2-CG1 4.39Å; Y171-I174 HydrophobicContact CG-CG1 4.35Å; Y171-Q190 HydrophobicContact CD2-CB 4.05Å; Y171-Q190 HydrophobicContact CE2-CB 4.27Å; Y171-Q190 PolarHBondContact N-O 3.19Å; Y171-K192 WeakPolarHBondContact O-CB 3.29Å; Y171-K192 WeakPolarHBondContact O-CG 3.41Å; Y171-K192 PolarHBondContact O-N 3.14Å
172	D	98.9	Very high	98	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-32.5	171.9	-57.7	-88.7	0	0	0	111.6	K98 K99 K192 G195 R196	K98-D172 HydrophobicContact CB-CB 3.97Å; K98-D172 WeakPolarHBondContact CB-OD2 3.34Å; K98-D172 HydrophobicContact CD-CB 3.83Å; K98-D172 HydrophobicContact CG-CB 4.21Å; K99-D172 PolarHBondContact N-OD2 2.9Å; K99-D172 PolarHBondContact O-N 2.8Å; D172-K192 WeakPolarHBondContact OD1-CD 3.29Å; D172-K192 IonicContact OD1-NZ 2.76Å; D172-K192 PolarHBondContact OD1-NZ 3.44Å; D172-K192 IonicContact OD2-NZ 3.41Å; D172-K192 PolarHBondContact OD2-NZ 3.24Å; D172-G195 CarbonylContact O-C 3.55Å; D172-G195 WeakPolarHBondContact O-CA 3.42Å; D172-R196 PolarHBondContact O-N 3.42Å
173	A	98.9	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.3	178.3	0	0	0	0	0	111.1	L90 H93 L94 K99 A100 L101 R196	L90-A173 HydrophobicContact CD1-CB 4.48Å; L90-A173 HydrophobicContact CD2-CB 4.25Å; H93-A173 HydrophobicContact CB-CB 3.93Å; L94-A173 HydrophobicContact CD2-CB 3.71Å; L94-A173 HydrophobicContact CG-CB 4.17Å; K99-A173 PolarHBondContact O-N 3.42Å; A100-A173 CarbonylContact C-O 3.51Å; A100-A173 WeakPolarHBondContact CA-O 3.43Å; A100-A173 HydrophobicContact CB-CB 4.04Å; L101-A173 PolarHBondContact N-O 3.3Å; A173-R196 CarbonylContact C-O 3.57Å; A173-R196 VanDerWaalsContact CA-O 3.27Å; A173-R196 WeakPolarHBondContact CA-O 3.32Å
174	I	98.9	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.5	170.7	-57.6	-179.5	0	0	0	109.1	L101 V103 Y171 V176 L187 L191 R196 M197 V198	L101-I174 HydrophobicContact CB-CG1 4.1Å; L101-I174 HydrophobicContact CB-CG2 4.34Å; L101-I174 HydrophobicContact CD2-CG2 4.3Å; L101-I174 CarbonylContact O-C 3.58Å; L101-I174 WeakPolarHBondContact O-CA 3.48Å; V103-I174 HydrophobicContact CG2-CG2 4.35Å; Y171-I174 HydrophobicContact CD2-CD1 4.21Å; Y171-I174 HydrophobicContact CD2-CG1 4.39Å; Y171-I174 HydrophobicContact CG-CG1 4.35Å; I174-V176 HydrophobicContact CG2-CG2 4.32Å; I174-L187 HydrophobicContact CD1-CB 4.46Å; I174-L187 VanDerWaalsContact CD1-O 3.29Å; I174-L187 WeakPolarHBondContact CD1-O 3.33Å; I174-L191 HydrophobicContact CB-CD1 4.44Å; I174-L191 HydrophobicContact CD1-CB 4.25Å; I174-L191 HydrophobicContact CD1-CD1 3.88Å; I174-L191 HydrophobicContact CG1-CD1 3.78Å; I174-R196 PolarHBondContact N-O 3.2Å; I174-M197 HydrophobicContact CB-CB 4.03Å; I174-M197 HydrophobicContact CB-CG 3.92Å; I174-M197 HydrophobicContact CB-SD 4.23Å; I174-M197 HydrophobicContact CG2-CG 3.97Å; I174-M197 HydrophobicContact CG2-SD 3.87Å; I174-M197 CarbonylContact O-C 3.56Å; I174-M197 WeakPolarHBondContact O-CA 3.36Å; I174-V198 PolarHBondContact O-N 3.31Å
175	H	98.9	Very high	97.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.4	165.7	164.6	-98	0	0	0	109.3	L90 L101 D102 V103 L110 F114 G177 V198	L90-H175 HydrophobicContact CD1-CB 4Å; L101-H175 PolarHBondContact O-N 2.91Å; D102-H175 IonicContact OD1-CE1 3.9Å; D102-H175 IonicContact OD1-CG 3.82Å; D102-H175 IonicContact OD1-ND1 2.67Å; D102-H175 PolarHBondContact OD1-ND1 3.49Å; V103-H175 WeakPolarHBondContact CB-O 3.36Å; V103-H175 PolarHBondContact N-O 2.95Å; L110-H175 HydrophobicContact CD2-CB 4.3Å; L110-H175 WeakPolarHBondContact CD2-CE1 3.37Å; L110-H175 VanDerWaalsContact CD2-ND1 3.33Å; L110-H175 WeakPolarHBondContact CD2-ND1 3.31Å; F114-H175 HydrophobicContact CE2-CB 3.84Å; F114-H175 HydrophobicContact CZ-CB 3.63Å; H175-G177 WeakPolarHBondContact CE1-CA 3.38Å; H175-G177 PolarHBondContact CE1-N 2.79Å; H175-G177 VanDerWaalsContact CE1-N 3.34Å; H175-V198 HydrophobicContact CB-CG2 4.37Å
176	V	98.8	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.4	170.2	-170.1	0	0	0	0	109.2	V103 I174 A178 L187 M197 V198 V199 P200 L234	V103-V176 HydrophobicContact CB-CB 4.45Å; V103-V176 HydrophobicContact CB-CG1 4.25Å; V103-V176 HydrophobicContact CB-CG2 4.32Å; V103-V176 HydrophobicContact CG1-CG1 4.13Å; V103-V176 HydrophobicContact CG2-CG2 4.5Å; I174-V176 HydrophobicContact CG2-CG2 4.32Å; V176-A178 WeakPolarHBondContact CG1-O 3.21Å; V176-A178 PolarHBondContact O-N 3.17Å; V176-L187 HydrophobicContact CG2-CD1 3.62Å; V176-M197 HydrophobicContact CG2-CG 4.41Å; V176-M197 HydrophobicContact CG2-SD 4.06Å; V176-V198 PolarHBondContact N-O 3.27Å; V176-V199 HydrophobicContact CB-CB 3.87Å; V176-V199 HydrophobicContact CB-CG2 3.7Å; V176-V199 HydrophobicContact CG1-CG2 4.02Å; V176-V199 HydrophobicContact CG2-CB 3.83Å; V176-V199 HydrophobicContact CG2-CG2 3.87Å; V176-P200 WeakPolarHBondContact O-CD 3.37Å; V176-L234 HydrophobicContact CG1-CD1 4.21Å; V176-L234 HydrophobicContact CG1-CD2 4.09Å
177	G	98.2	Very high	97.9	Very high	11 Å²	11	33.8 Å²	33.8	11%	0.113	20%	0.204	C	C	.	.			trans	-81.2	18.2	-178.4	0	0	0	0	0	114.9	V103 H175 Y231	V103-G177 WeakPolarHBondContact O-CA 3.43Å; V103-G177 PolarHBondContact O-N 3.45Å; H175-G177 WeakPolarHBondContact CE1-CA 3.38Å; H175-G177 PolarHBondContact CE1-N 2.79Å; H175-G177 VanDerWaalsContact CE1-N 3.34Å; G177-Y231 WeakPolarHBondContact O-CD1 3.25Å
178	A	97.4	Very high	97.9	Very high	8 Å²	8	28.2 Å²	28.2	7%	0.066	17%	0.174	C	C	.	.	S	Bend	trans	-151.6	153.2	-179.8	0	0	0	0	0	110.8	V176 A180 V232 L234	V176-A178 WeakPolarHBondContact CG1-O 3.21Å; V176-A178 PolarHBondContact O-N 3.17Å; A178-A180 PolarHBondContact O-N 2.79Å; A178-V232 CarbonylContact C-O 3.59Å; A178-V232 WeakPolarHBondContact CA-O 3.48Å; A178-V232 HydrophobicContact CB-CG2 4.36Å; A178-V232 WeakPolarHBondContact CB-O 3.35Å; A178-L234 HydrophobicContact CB-CB 3.82Å; A178-L234 HydrophobicContact CB-CD1 4.06Å
179	A	97.4	Very high	97.9	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-76.4	117.5	-176.8	0	0	0	0	0	112.5	P200 Q208 V232 L234	A179-P200 CarbonylContact C-O 3.46Å; A179-P200 WeakPolarHBondContact CA-O 3.38Å; A179-P200 HydrophobicContact CB-CB 4.22Å; A179-Q208 HydrophobicContact CB-CG 4.06Å; A179-V232 PolarHBondContact N-O 2.76Å; A179-L234 WeakPolarHBondContact O-CB 3.47Å; A179-L234 PolarHBondContact O-N 3.14Å
180	A	97.6	Very high	97.9	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-87.2	135.7	179	0	0	0	0	0	111.7	A178 G182 P184 V199 P200 V201 G202 L234	A178-A180 PolarHBondContact O-N 2.79Å; A180-G182 WeakPolarHBondContact CB-O 3.42Å; A180-G182 PolarHBondContact O-N 2.91Å; A180-P184 HydrophobicContact CB-CG 3.97Å; A180-V199 HydrophobicContact CB-CG2 4.03Å; A180-P200 PolarHBondContact N-O 3.35Å; A180-V201 WeakPolarHBondContact O-CA 3.38Å; A180-G202 PolarHBondContact O-N 2.8Å; A180-G202 VanDerWaalsContact O-N 3.09Å; A180-L234 HydrophobicContact CB-CB 4.42Å; A180-L234 HydrophobicContact CB-CD2 3.8Å
181	N	93.8	Very high	97.9	Very high	151 Å²	151	27.4 Å²	27.4	81%	0.807	16%	0.162	S	C	*	.	S	Bend	trans	-79	71.4	171.2	-172	18.4	0	0	0	110
182	G	95.1	Very high	97.9	Very high	37 Å²	37	30.3 Å²	30.3	38%	0.381	18%	0.175	S	C	.	.	S	Bend	trans	94.6	157.5	-166.7	0	0	0	0	0	112.2	A180 P184	A180-G182 WeakPolarHBondContact CB-O 3.42Å; A180-G182 PolarHBondContact O-N 2.91Å; G182-P184 WeakPolarHBondContact O-CD 3.43Å
183	V	96.4	Very high	97.9	Very high	36 Å²	36	33.2 Å²	33.2	22%	0.218	20%	0.195	C	C	.	.			trans	-70.5	124.1	-178.3	-179.4	0	0	0	0	109.8	Q185 I188 M197 V201 K211 I213	V183-Q185 PolarHBondContact O-N 2.97Å; V183-I188 HydrophobicContact CG1-CD1 3.63Å; V183-I188 HydrophobicContact CG1-CG1 4Å; V183-M197 HydrophobicContact CG1-CE 3.68Å; V183-V201 HydrophobicContact CG2-CG2 4.13Å; V183-K211 HydrophobicContact CG2-CD 4.01Å; V183-I213 HydrophobicContact CB-CD1 4.15Å; V183-I213 HydrophobicContact CG1-CD1 3.37Å; V183-I213 HydrophobicContact CG2-CD1 3.6Å
184	P	97.3	Very high	97.9	Very high	21 Å²	21	35.5 Å²	35.5	14%	0.136	22%	0.219	C	C	.	.			trans	-70.1	115.6	-179.5	-20	33.7	0	0	0	112	A180 G182 A186 L187 I188 L234	A180-P184 HydrophobicContact CB-CG 3.97Å; G182-P184 WeakPolarHBondContact O-CD 3.43Å; P184-A186 VanDerWaalsContact C-N 3.29Å; P184-A186 PolarHBondContact O-N 2.72Å; P184-L187 HydrophobicContact CB-CB 4.38Å; P184-L187 HydrophobicContact CB-CD1 3.94Å; P184-L187 HydrophobicContact CB-CG 3.95Å; P184-L187 HydrophobicContact CG-CD1 3.92Å; P184-L187 HydrophobicContact CG-CG 4.49Å; P184-L187 PolarHBondContact O-N 3.3Å; P184-L187 VanDerWaalsContact O-N 3.09Å; P184-I188 PolarHBondContact O-N 3.42Å; P184-L234 HydrophobicContact CG-CD2 3.92Å
185	Q	98.1	Very high	97.9	Very high	112 Å²	112	35.5 Å²	35.5	52%	0.523	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-38.2	-179.1	-173.6	60	48.3	0	0	112.6	V183 L187 I188 D189	V183-Q185 PolarHBondContact O-N 2.97Å; Q185-L187 PolarHBondContact O-N 2.79Å; Q185-L187 VanDerWaalsContact O-N 3.16Å; Q185-I188 WeakPolarHBondContact O-CA 3.45Å; Q185-I188 WeakPolarHBondContact O-CB 3.25Å; Q185-I188 PolarHBondContact O-N 3.05Å; Q185-D189 PolarHBondContact NE2-OD1 3.07Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 2.9Å
186	A	98.5	Very high	97.9	Very high	33 Å²	33	37.1 Å²	37.1	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-58	-31.6	177.6	0	0	0	0	0	112.9	P184 Q190	P184-A186 VanDerWaalsContact C-N 3.29Å; P184-A186 PolarHBondContact O-N 2.72Å; A186-Q190 VanDerWaalsContact O-CG 3.27Å; A186-Q190 WeakPolarHBondContact O-CG 3.31Å; A186-Q190 PolarHBondContact O-N 2.83Å; A186-Q190 PolarHBondContact O-NE2 2.92Å
187	L	98.8	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-77.4	-36	176.1	-59.9	-178.2	0	0	0	111.8	L101 V103 G164 I174 V176 P184 Q185 D189 Q190 L191 M197	L101-L187 HydrophobicContact CD2-CD2 4.01Å; V103-L187 HydrophobicContact CG2-CD1 4.18Å; V103-L187 HydrophobicContact CG2-CD2 3.99Å; G164-L187 VanDerWaalsContact CA-CD2 3.43Å; I174-L187 HydrophobicContact CD1-CB 4.46Å; I174-L187 VanDerWaalsContact CD1-O 3.29Å; I174-L187 WeakPolarHBondContact CD1-O 3.33Å; V176-L187 HydrophobicContact CG2-CD1 3.62Å; P184-L187 HydrophobicContact CB-CB 4.38Å; P184-L187 HydrophobicContact CB-CD1 3.94Å; P184-L187 HydrophobicContact CB-CG 3.95Å; P184-L187 HydrophobicContact CG-CD1 3.92Å; P184-L187 HydrophobicContact CG-CG 4.49Å; P184-L187 PolarHBondContact O-N 3.3Å; P184-L187 VanDerWaalsContact O-N 3.09Å; Q185-L187 PolarHBondContact O-N 2.79Å; Q185-L187 VanDerWaalsContact O-N 3.16Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 3.45Å; L187-Q190 PolarHBondContact O-N 3.49Å; L187-L191 PolarHBondContact O-N 3.36Å; L187-L191 VanDerWaalsContact O-N 3.14Å; L187-M197 HydrophobicContact CB-CE 4.34Å; L187-M197 HydrophobicContact CB-SD 3.68Å; L187-M197 HydrophobicContact CD1-SD 4.08Å
188	I	98.6	Very high	97.9	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-41.9	170.8	-66.4	168.4	0	0	0	110.7	V183 P184 Q185 Q190 L191 M197 K215 I221	V183-I188 HydrophobicContact CG1-CD1 3.63Å; V183-I188 HydrophobicContact CG1-CG1 4Å; P184-I188 PolarHBondContact O-N 3.42Å; Q185-I188 WeakPolarHBondContact O-CA 3.45Å; Q185-I188 WeakPolarHBondContact O-CB 3.25Å; Q185-I188 PolarHBondContact O-N 3.05Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 3.22Å; I188-L191 WeakPolarHBondContact O-CB 3.34Å; I188-L191 PolarHBondContact O-N 3.45Å; I188-M197 HydrophobicContact CG1-CE 4.25Å; I188-K215 PolarHBondContact O-NZ 3.33Å; I188-I221 HydrophobicContact CG2-CD1 3.53Å; I188-I221 HydrophobicContact CG2-CG1 4.01Å
189	D	98.4	Very high	98	Very high	101 Å²	101	36.2 Å²	36.2	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-65.5	-36.4	-178.9	-64.1	-18.1	0	0	0	111.4	Q185 L187 L191	Q185-D189 PolarHBondContact NE2-OD1 3.07Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 2.9Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 3.45Å; D189-L191 VanDerWaalsContact C-N 3.32Å
190	Q	98.8	Very high	98	Very high	16 Å²	16	36 Å²	36	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-80.4	-8.3	177	-68.8	173.7	45.9	0	0	113.9	N163 A169 P170 Y171 A186 L187 I188	N163-Q190 PolarHBondContact O-NE2 3.47Å; A169-Q190 HydrophobicContact CB-CB 3.94Å; A169-Q190 HydrophobicContact CB-CG 3.75Å; P170-Q190 CarbonylContact C-O 3.47Å; P170-Q190 WeakPolarHBondContact CA-O 3.42Å; P170-Q190 WeakPolarHBondContact CB-O 3.29Å; Y171-Q190 HydrophobicContact CD2-CB 4.05Å; Y171-Q190 HydrophobicContact CE2-CB 4.27Å; Y171-Q190 PolarHBondContact N-O 3.19Å; A186-Q190 VanDerWaalsContact O-CG 3.27Å; A186-Q190 WeakPolarHBondContact O-CG 3.31Å; A186-Q190 PolarHBondContact O-N 2.83Å; A186-Q190 PolarHBondContact O-NE2 2.92Å; L187-Q190 PolarHBondContact O-N 3.49Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 3.22Å
191	L	98.7	Very high	98	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.9	174.2	-161.1	62.7	0	0	0	110	I174 L187 I188 D189 M197 K215	I174-L191 HydrophobicContact CB-CD1 4.44Å; I174-L191 HydrophobicContact CD1-CB 4.25Å; I174-L191 HydrophobicContact CD1-CD1 3.88Å; I174-L191 HydrophobicContact CG1-CD1 3.78Å; L187-L191 PolarHBondContact O-N 3.36Å; L187-L191 VanDerWaalsContact O-N 3.14Å; I188-L191 WeakPolarHBondContact O-CB 3.34Å; I188-L191 PolarHBondContact O-N 3.45Å; D189-L191 VanDerWaalsContact C-N 3.32Å; L191-M197 HydrophobicContact CD2-CB 4.2Å; L191-K215 HydrophobicContact CB-CD 4.08Å; L191-K215 HydrophobicContact CD2-CB 3.78Å; L191-K215 HydrophobicContact CG-CB 4.16Å; L191-K215 WeakPolarHBondContact O-CD 3.34Å; L191-K215 WeakPolarHBondContact O-CE 3.27Å; L191-K215 PolarHBondContact O-NZ 3.06Å
192	K	98.5	Very high	98.2	Very high	61 Å²	61	30.3 Å²	30.3	27%	0.265	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150.2	171.8	-74.6	178.5	-178	169.7	0	110.6	P170 Y171 D172 G194 G195	P170-K192 HydrophobicContact CB-CG 3.53Å; P170-K192 HydrophobicContact CG-CD 4.33Å; P170-K192 HydrophobicContact CG-CG 3.56Å; P170-K192 VanDerWaalsContact O-CE 3.28Å; P170-K192 WeakPolarHBondContact O-CE 3.45Å; Y171-K192 WeakPolarHBondContact O-CB 3.29Å; Y171-K192 WeakPolarHBondContact O-CG 3.41Å; Y171-K192 PolarHBondContact O-N 3.14Å; D172-K192 WeakPolarHBondContact OD1-CD 3.29Å; D172-K192 IonicContact OD1-NZ 2.76Å; D172-K192 PolarHBondContact OD1-NZ 3.44Å; D172-K192 IonicContact OD2-NZ 3.41Å; D172-K192 PolarHBondContact OD2-NZ 3.24Å; K192-G194 PolarHBondContact O-N 3.36Å; K192-G195 WeakPolarHBondContact O-CA 3.36Å; K192-G195 PolarHBondContact O-N 3.15Å
193	P	98.5	Very high	98.1	Very high	85 Å²	85	32 Å²	32	55%	0.552	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	130.9	158.9	-22.1	33.7	0	0	0	110.3	G195	P193-G195 VanDerWaalsContact C-N 3.31Å
194	G	98.5	Very high	97.8	Very high	47 Å²	47	33.7 Å²	33.7	49%	0.485	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.2	2	-169.7	0	0	0	0	0	115.1	H93 K192 K215	H93-G194 PolarHBondContact CD2-O 2.94Å; K192-G194 PolarHBondContact O-N 3.36Å; G194-K215 VanDerWaalsContact CA-O 3.23Å; G194-K215 WeakPolarHBondContact CA-O 3.47Å; G194-K215 PolarHBondContact N-O 2.81Å
195	G	98.8	Very high	97.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	164.2	178.3	0	0	0	0	0	113.6	D172 K192 P193 K215	D172-G195 CarbonylContact O-C 3.55Å; D172-G195 WeakPolarHBondContact O-CA 3.42Å; K192-G195 WeakPolarHBondContact O-CA 3.36Å; K192-G195 PolarHBondContact O-N 3.15Å; P193-G195 VanDerWaalsContact C-N 3.31Å; G195-K215 PolarHBondContact O-N 2.82Å
196	R	98.9	Very high	96.9	Very high	38 Å²	38	38.5 Å²	38.5	14%	0.143	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.7	177.7	175.8	173.8	-71.8	174.1	0.5	112.8	L89 L90 D172 A173 I174 Q212 I213 D214	L89-R196 VanDerWaalsContact O-CD 3.27Å; L89-R196 WeakPolarHBondContact O-CD 3.4Å; L89-R196 PolarHBondContact O-NH1 3.15Å; L90-R196 HydrophobicContact CD2-CB 4.21Å; L90-R196 HydrophobicContact CD2-CG 3.76Å; D172-R196 PolarHBondContact O-N 3.42Å; A173-R196 CarbonylContact C-O 3.57Å; A173-R196 VanDerWaalsContact CA-O 3.27Å; A173-R196 WeakPolarHBondContact CA-O 3.32Å; I174-R196 PolarHBondContact N-O 3.2Å; R196-Q212 HydrophobicContact CG-CG 4.08Å; R196-Q212 VanDerWaalsContact CZ-NE2 3.34Å; R196-Q212 VanDerWaalsContact NH2-NE2 3.12Å; R196-I213 CarbonylContact C-O 3.51Å; R196-I213 WeakPolarHBondContact CA-O 3.45Å; R196-D214 IonicContact CZ-OD1 2.71Å; R196-D214 VanDerWaalsContact CZ-OD1 3.25Å; R196-D214 IonicContact NE-OD1 3.47Å; R196-D214 PolarHBondContact NE-OD1 2.98Å; R196-D214 IonicContact NH2-OD1 3.99Å; R196-D214 PolarHBondContact NH2-OD1 2.88Å; R196-D214 IonicContact NH2-OD2 3.82Å
197	M	98.9	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.2	165.8	179.6	166.1	70.6	0	0	110.9	I174 V176 V183 L187 I188 L191 V199 I213	I174-M197 HydrophobicContact CB-CB 4.03Å; I174-M197 HydrophobicContact CB-CG 3.92Å; I174-M197 HydrophobicContact CB-SD 4.23Å; I174-M197 HydrophobicContact CG2-CG 3.97Å; I174-M197 HydrophobicContact CG2-SD 3.87Å; I174-M197 CarbonylContact O-C 3.56Å; I174-M197 WeakPolarHBondContact O-CA 3.36Å; V176-M197 HydrophobicContact CG2-CG 4.41Å; V176-M197 HydrophobicContact CG2-SD 4.06Å; V183-M197 HydrophobicContact CG1-CE 3.68Å; L187-M197 HydrophobicContact CB-CE 4.34Å; L187-M197 HydrophobicContact CB-SD 3.68Å; L187-M197 HydrophobicContact CD1-SD 4.08Å; I188-M197 HydrophobicContact CG1-CE 4.25Å; L191-M197 HydrophobicContact CD2-CB 4.2Å; M197-V199 HydrophobicContact CE-CG1 4.09Å; M197-V199 HydrophobicContact CG-CB 4.42Å; M197-V199 HydrophobicContact CG-CG1 4.34Å; M197-I213 HydrophobicContact CB-CB 4.29Å; M197-I213 HydrophobicContact CE-CB 4.44Å; M197-I213 HydrophobicContact CE-CD1 3.64Å; M197-I213 PolarHBondContact N-O 3.35Å; M197-I213 PolarHBondContact O-N 3.3Å
198	V	98.8	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	164.5	-63.3	0	0	0	0	109.7	L89 L90 I174 H175 V176 F210 K211	L89-V198 HydrophobicContact CB-CG1 3.87Å; L89-V198 HydrophobicContact CD1-CG1 4.04Å; L90-V198 HydrophobicContact CD1-CG2 3.83Å; L90-V198 HydrophobicContact CD2-CG1 4.03Å; L90-V198 HydrophobicContact CD2-CG2 4.15Å; L90-V198 HydrophobicContact CG-CG1 4.36Å; L90-V198 HydrophobicContact CG-CG2 3.94Å; I174-V198 PolarHBondContact O-N 3.31Å; H175-V198 HydrophobicContact CB-CG2 4.37Å; V176-V198 PolarHBondContact N-O 3.27Å; V198-F210 HydrophobicContact CB-CE1 4.42Å; V198-F210 HydrophobicContact CB-CE2 4.2Å; V198-F210 HydrophobicContact CB-CZ 3.85Å; V198-F210 HydrophobicContact CG2-CE2 4.42Å; V198-F210 HydrophobicContact CG2-CZ 3.88Å; V198-K211 WeakPolarHBondContact CA-O 3.01Å
199	V	98.7	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	131	-170.8	52.2	0	0	0	0	111	V176 A180 M197 V201 K211 I213	V176-V199 HydrophobicContact CB-CB 3.87Å; V176-V199 HydrophobicContact CB-CG2 3.7Å; V176-V199 HydrophobicContact CG1-CG2 4.02Å; V176-V199 HydrophobicContact CG2-CB 3.83Å; V176-V199 HydrophobicContact CG2-CG2 3.87Å; A180-V199 HydrophobicContact CB-CG2 4.03Å; M197-V199 HydrophobicContact CE-CG1 4.09Å; M197-V199 HydrophobicContact CG-CB 4.42Å; M197-V199 HydrophobicContact CG-CG1 4.34Å; V199-V201 HydrophobicContact CG1-CG2 3.93Å; V199-V201 HydrophobicContact CG2-CG2 4.02Å; V199-K211 HydrophobicContact CG1-CB 4.44Å; V199-K211 PolarHBondContact N-O 3.29Å; V199-K211 WeakPolarHBondContact O-CB 3.46Å; V199-K211 PolarHBondContact O-N 3.08Å; V199-I213 HydrophobicContact CG1-CD1 3.85Å
200	P	98.3	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.1	164.6	-8.2	22.7	0	0	0	109.3	V176 A179 A180 V209 F210 V229 Y231	V176-P200 WeakPolarHBondContact O-CD 3.37Å; A179-P200 CarbonylContact C-O 3.46Å; A179-P200 WeakPolarHBondContact CA-O 3.38Å; A179-P200 HydrophobicContact CB-CB 4.22Å; A180-P200 PolarHBondContact N-O 3.35Å; P200-V209 CarbonylContact C-O 3.51Å; P200-V209 WeakPolarHBondContact CA-O 3.23Å; P200-F210 HydrophobicContact CB-CD2 4.4Å; P200-F210 HydrophobicContact CG-CD2 3.99Å; P200-F210 HydrophobicContact CG-CE2 4.16Å; P200-V229 HydrophobicContact CB-CG2 3.88Å; P200-Y231 HydrophobicContact CB-CD2 3.96Å; P200-Y231 HydrophobicContact CB-CE2 4.48Å; P200-Y231 HydrophobicContact CB-CG 4Å; P200-Y231 HydrophobicContact CG-CD1 3.6Å; P200-Y231 HydrophobicContact CG-CD2 3.64Å; P200-Y231 HydrophobicContact CG-CE1 3.78Å; P200-Y231 HydrophobicContact CG-CE2 3.86Å; P200-Y231 HydrophobicContact CG-CG 3.52Å
201	V	98.4	Very high	96.6	Very high	21 Å²	21	40.1 Å²	40.1	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.9	-179.4	-178.2	0	0	0	0	109.3	A180 V183 V199 Q208 V209 K211	A180-V201 WeakPolarHBondContact O-CA 3.38Å; V183-V201 HydrophobicContact CG2-CG2 4.13Å; V199-V201 HydrophobicContact CG1-CG2 3.93Å; V199-V201 HydrophobicContact CG2-CG2 4.02Å; V201-Q208 CarbonylContact O-C 3.5Å; V201-Q208 VanDerWaalsContact O-CA 3.32Å; V201-Q208 WeakPolarHBondContact O-CA 3.45Å; V201-V209 HydrophobicContact CB-CG2 4.45Å; V201-V209 PolarHBondContact N-O 3.26Å; V201-V209 PolarHBondContact O-N 2.92Å; V201-K211 HydrophobicContact CG2-CB 4.21Å; V201-K211 HydrophobicContact CG2-CD 4.19Å
202	G	96.8	Very high	96.6	Very high	12 Å²	12	40.7 Å²	40.7	12%	0.124	24%	0.235	C	C	.	.	S	Bend	trans	162.7	168.3	176.8	0	0	0	0	0	112	A180	A180-G202 PolarHBondContact O-N 2.8Å; A180-G202 VanDerWaalsContact O-N 3.09Å
203	P	93.4	Very high	96.6	Very high	73 Å²	73	37.8 Å²	37.8	47%	0.474	22%	0.222	S	C	.	.			trans	-62.2	148.6	174.8	26.5	-34.6	0	0	0	111.4	Y205 G206 S207	P203-Y205 PolarHBondContact O-N 3.01Å; P203-G206 PolarHBondContact O-N 3.34Å; P203-G206 VanDerWaalsContact O-N 3.09Å; P203-S207 WeakPolarHBondContact CD-O 3.34Å
204	E	90.3	Very high	96.6	Very high	71 Å²	71	34.1 Å²	34.1	33%	0.332	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132.8	170.1	-173.6	176.2	-176	0	0	110	G206 P233 H239	E204-G206 PolarHBondContact O-N 2.77Å; E204-P233 HydrophobicContact CB-CB 4.36Å; E204-P233 HydrophobicContact CG-CB 3.83Å; E204-P233 HydrophobicContact CG-CG 4.01Å; E204-P233 WeakPolarHBondContact OE1-CG 3.48Å; E204-H239 VanDerWaalsContact CD-NE2 3.35Å; E204-H239 IonicContact OE1-CD2 3.54Å; E204-H239 IonicContact OE1-CE1 2.93Å; E204-H239 IonicContact OE1-NE2 2.66Å; E204-H239 PolarHBondContact OE1-NE2 3.05Å; E204-H239 IonicContact OE2-CE1 3.09Å; E204-H239 IonicContact OE2-NE2 2.78Å; E204-H239 PolarHBondContact OE2-NE2 3.02Å; E204-H239 VanDerWaalsContact OE2-NE2 3.14Å
205	Y	85.1	Confident	96.6	Very high	205 Å²	205	33.4 Å²	33.4	80%	0.804	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	12.6	-175.3	-45.8	-56	0	0	0	116.3	P203	P203-Y205 PolarHBondContact O-N 3.01Å
206	G	91.7	Very high	96.6	Very high	30 Å²	30	36.1 Å²	36.1	31%	0.309	20%	0.196	S	C	.	.	S	Bend	trans	-113	-167.7	174.3	0	0	0	0	0	113.3	P203 E204 Q208	P203-G206 PolarHBondContact O-N 3.34Å; P203-G206 VanDerWaalsContact O-N 3.09Å; E204-G206 PolarHBondContact O-N 2.77Å; G206-Q208 PolarHBondContact O-N 3.3Å
207	S	94.8	Very high	96.5	Very high	114 Å²	114	38.6 Å²	38.6	80%	0.797	22%	0.224	S	C	*	.			trans	-67.2	126.2	178.5	-60	0	0	0	0	111	P203	P203-S207 WeakPolarHBondContact CD-O 3.34Å
208	Q	97.6	Very high	96.5	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.2	178	-56.8	162.2	7.1	0	0	110.2	A179 V201 G206 G228 V229 Y231	A179-Q208 HydrophobicContact CB-CG 4.06Å; V201-Q208 CarbonylContact O-C 3.5Å; V201-Q208 VanDerWaalsContact O-CA 3.32Å; V201-Q208 WeakPolarHBondContact O-CA 3.45Å; G206-Q208 PolarHBondContact O-N 3.3Å; Q208-G228 WeakPolarHBondContact O-CA 3.13Å; Q208-V229 HydrophobicContact CB-CG2 4.26Å; Q208-V229 PolarHBondContact O-N 3.37Å; Q208-Y231 PolarHBondContact NE2-O 3.26Å; Q208-Y231 PolarHBondContact OE1-O 3.44Å
209	V	97.5	Very high	96.4	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.297	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.5	173.2	-64.5	0	0	0	0	109.6	P200 V201 K211 M227	P200-V209 CarbonylContact C-O 3.51Å; P200-V209 WeakPolarHBondContact CA-O 3.23Å; V201-V209 HydrophobicContact CB-CG2 4.45Å; V201-V209 PolarHBondContact N-O 3.26Å; V201-V209 PolarHBondContact O-N 2.92Å; V209-K211 PolarHBondContact O-N 2.96Å; V209-M227 CarbonylContact C-O 3.57Å; V209-M227 WeakPolarHBondContact CA-O 3.45Å
210	F	98	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.8	169.1	-159.6	-139.4	0	0	0	108.1	M82 L89 V198 P200 L226 M227 V229	M82-F210 HydrophobicContact CE-CD1 4.48Å; M82-F210 HydrophobicContact CE-CE1 4.4Å; L89-F210 HydrophobicContact CD1-CD1 3.95Å; L89-F210 HydrophobicContact CD1-CE1 3.44Å; L89-F210 VanDerWaalsContact CD1-CE1 3.44Å; L89-F210 HydrophobicContact CD1-CZ 4.38Å; V198-F210 HydrophobicContact CB-CE1 4.42Å; V198-F210 HydrophobicContact CB-CE2 4.2Å; V198-F210 HydrophobicContact CB-CZ 3.85Å; V198-F210 HydrophobicContact CG2-CE2 4.42Å; V198-F210 HydrophobicContact CG2-CZ 3.88Å; P200-F210 HydrophobicContact CB-CD2 4.4Å; P200-F210 HydrophobicContact CG-CD2 3.99Å; P200-F210 HydrophobicContact CG-CE2 4.16Å; F210-L226 HydrophobicContact CD1-CD1 4.39Å; F210-L226 VanDerWaalsContact O-CB 3.31Å; F210-L226 WeakPolarHBondContact O-CB 3.38Å; F210-L226 PolarHBondContact O-N 3.29Å; F210-M227 HydrophobicContact CB-CG 4.06Å; F210-M227 HydrophobicContact CB-SD 4.12Å; F210-M227 HydrophobicContact CD1-SD 3.83Å; F210-M227 HydrophobicContact CG-SD 4.49Å; F210-M227 PolarHBondContact N-O 3.01Å; F210-V229 HydrophobicContact CB-CB 4.45Å; F210-V229 HydrophobicContact CB-CG1 3.7Å; F210-V229 HydrophobicContact CB-CG2 3.88Å; F210-V229 HydrophobicContact CG-CG1 4.25Å
211	K	98.5	Very high	96.4	Very high	24 Å²	24	52.3 Å²	52.3	10%	0.104	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	-171.7	-172.9	-175.6	-74.3	-74.8	0	109.8	V183 V198 V199 V201 V209 I213 E223 Q224 D225	V183-K211 HydrophobicContact CG2-CD 4.01Å; V198-K211 WeakPolarHBondContact CA-O 3.01Å; V199-K211 HydrophobicContact CG1-CB 4.44Å; V199-K211 PolarHBondContact N-O 3.29Å; V199-K211 WeakPolarHBondContact O-CB 3.46Å; V199-K211 PolarHBondContact O-N 3.08Å; V201-K211 HydrophobicContact CG2-CB 4.21Å; V201-K211 HydrophobicContact CG2-CD 4.19Å; V209-K211 PolarHBondContact O-N 2.96Å; K211-I213 HydrophobicContact CD-CD1 3.88Å; K211-I213 HydrophobicContact CD-CG1 3.95Å; K211-I213 HydrophobicContact CG-CD1 4.37Å; K211-I213 HydrophobicContact CG-CG1 3.97Å; K211-E223 HydrophobicContact CD-CB 4.34Å; K211-E223 WeakPolarHBondContact CD-OE2 3.5Å; K211-E223 IonicContact NZ-OE2 3.84Å; K211-E223 PolarHBondContact NZ-OE2 3.45Å; K211-Q224 CarbonylContact C-O 3.52Å; K211-Q224 WeakPolarHBondContact CA-O 3.2Å; K211-D225 WeakPolarHBondContact CE-OD1 3.5Å; K211-D225 IonicContact NZ-OD1 3.27Å; K211-D225 PolarHBondContact NZ-OD1 3.18Å
212	Q	98.7	Very high	96.4	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.065	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.1	166.5	-177.2	-176	-68.8	0	0	109.2	R196 D214 E223 Q224 L226	R196-Q212 HydrophobicContact CG-CG 4.08Å; R196-Q212 VanDerWaalsContact CZ-NE2 3.34Å; R196-Q212 VanDerWaalsContact NH2-NE2 3.12Å; Q212-D214 PolarHBondContact NE2-OD2 2.97Å; Q212-E223 CarbonylContact O-C 3.54Å; Q212-E223 WeakPolarHBondContact O-CA 3.31Å; Q212-Q224 PolarHBondContact N-O 2.96Å; Q212-Q224 PolarHBondContact O-N 3.01Å; Q212-L226 HydrophobicContact CB-CD1 3.99Å; Q212-L226 HydrophobicContact CB-CD2 4.3Å; Q212-L226 HydrophobicContact CB-CG 4.19Å
213	I	98.8	Very high	96.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.6	179.6	-58.7	-179.7	0	0	0	107.5	V183 R196 M197 V199 K211 I221 R222 E223	V183-I213 HydrophobicContact CB-CD1 4.15Å; V183-I213 HydrophobicContact CG1-CD1 3.37Å; V183-I213 HydrophobicContact CG2-CD1 3.6Å; R196-I213 CarbonylContact C-O 3.51Å; R196-I213 WeakPolarHBondContact CA-O 3.45Å; M197-I213 HydrophobicContact CB-CB 4.29Å; M197-I213 HydrophobicContact CE-CB 4.44Å; M197-I213 HydrophobicContact CE-CD1 3.64Å; M197-I213 PolarHBondContact N-O 3.35Å; M197-I213 PolarHBondContact O-N 3.3Å; V199-I213 HydrophobicContact CG1-CD1 3.85Å; K211-I213 HydrophobicContact CD-CD1 3.88Å; K211-I213 HydrophobicContact CD-CG1 3.95Å; K211-I213 HydrophobicContact CG-CD1 4.37Å; K211-I213 HydrophobicContact CG-CG1 3.97Å; I213-I221 HydrophobicContact CG2-CG2 3.61Å; I213-R222 WeakPolarHBondContact CA-O 3.48Å; I213-E223 HydrophobicContact CG1-CG 4.11Å; I213-E223 HydrophobicContact CG2-CG 4.47Å
214	D	98.8	Very high	96.6	Very high	9 Å²	9	63.1 Å²	63.1	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.7	174.5	-60	-60.3	0	0	0	108.5	R196 Q212 L216 R222	R196-D214 IonicContact CZ-OD1 2.71Å; R196-D214 VanDerWaalsContact CZ-OD1 3.25Å; R196-D214 IonicContact NE-OD1 3.47Å; R196-D214 PolarHBondContact NE-OD1 2.98Å; R196-D214 IonicContact NH2-OD1 3.99Å; R196-D214 PolarHBondContact NH2-OD1 2.88Å; R196-D214 IonicContact NH2-OD2 3.82Å; Q212-D214 PolarHBondContact NE2-OD2 2.97Å; D214-L216 HydrophobicContact CB-CD2 4.14Å; D214-R222 PolarHBondContact N-O 3.02Å; D214-R222 PolarHBondContact O-N 2.88Å; D214-R222 IonicContact OD2-CZ 3.21Å; D214-R222 IonicContact OD2-NE 2.78Å; D214-R222 PolarHBondContact OD2-NE 3.01Å; D214-R222 IonicContact OD2-NH2 3.53Å; D214-R222 PolarHBondContact OD2-NH2 2.93Å
215	K	98.7	Very high	97	Very high	32 Å²	32	64 Å²	64	14%	0.139	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.5	165.1	-173.3	170.7	-171.1	174.2	0	107	I188 L191 G194 G195 I221	I188-K215 PolarHBondContact O-NZ 3.33Å; L191-K215 HydrophobicContact CB-CD 4.08Å; L191-K215 HydrophobicContact CD2-CB 3.78Å; L191-K215 HydrophobicContact CG-CB 4.16Å; L191-K215 WeakPolarHBondContact O-CD 3.34Å; L191-K215 WeakPolarHBondContact O-CE 3.27Å; L191-K215 PolarHBondContact O-NZ 3.06Å; G194-K215 VanDerWaalsContact CA-O 3.23Å; G194-K215 WeakPolarHBondContact CA-O 3.47Å; G194-K215 PolarHBondContact N-O 2.81Å; G195-K215 PolarHBondContact O-N 2.82Å; K215-I221 HydrophobicContact CB-CD1 3.92Å; K215-I221 HydrophobicContact CD-CD1 4.25Å; K215-I221 HydrophobicContact CG-CD1 3.76Å
216	L	98.4	Very high	97.6	Very high	58 Å²	58	56.9 Å²	56.9	30%	0.304	32%	0.324	S	S	.	.			trans	-67.7	167.9	-175.8	-56.5	-171.7	0	0	0	110.9	D214 D218 G219 T220 R222	D214-L216 HydrophobicContact CB-CD2 4.14Å; L216-D218 WeakPolarHBondContact CB-OD1 3.36Å; L216-D218 PolarHBondContact O-N 3.04Å; L216-G219 WeakPolarHBondContact O-CA 3.43Å; L216-G219 PolarHBondContact O-N 3.4Å; L216-T220 WeakPolarHBondContact CD1-OG1 3.29Å; L216-T220 PolarHBondContact N-O 3.08Å; L216-R222 HydrophobicContact CD1-CB 4.46Å; L216-R222 HydrophobicContact CD2-CB 4.35Å; L216-R222 HydrophobicContact CG-CB 4.42Å
217	A	97.3	Very high	97.8	Very high	90 Å²	90	58.9 Å²	58.9	74%	0.744	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.2	-176.7	0	0	0	0	0	113.1	G219	A217-G219 VanDerWaalsContact C-N 3.27Å
218	D	97.4	Very high	97.8	Very high	119 Å²	119	56.6 Å²	56.6	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	1.7	175	66.4	-0.9	0	0	0	113.6	L216 T220	L216-D218 WeakPolarHBondContact CB-OD1 3.36Å; L216-D218 PolarHBondContact O-N 3.04Å; D218-T220 VanDerWaalsContact C-N 3.33Å; D218-T220 WeakPolarHBondContact OD1-CB 3.42Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.5Å; D218-T220 PolarHBondContact OD1-N 2.95Å; D218-T220 PolarHBondContact OD1-OG1 3.45Å; D218-T220 PolarHBondContact OD2-OG1 2.92Å
219	G	96.9	Very high	97.7	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	33%	0.325	S	S	.	.	S	Bend	trans	85.5	-5.2	-178.7	0	0	0	0	0	114.9	L216 A217	L216-G219 WeakPolarHBondContact O-CA 3.43Å; L216-G219 PolarHBondContact O-N 3.4Å; A217-G219 VanDerWaalsContact C-N 3.27Å
220	T	98	Very high	97.5	Very high	69 Å²	69	63.1 Å²	63.1	42%	0.423	35%	0.351	S	S	.	.			trans	-69.5	151.2	175.9	62.6	0	0	0	0	111.4	L216 D218	L216-T220 WeakPolarHBondContact CD1-OG1 3.29Å; L216-T220 PolarHBondContact N-O 3.08Å; D218-T220 VanDerWaalsContact C-N 3.33Å; D218-T220 WeakPolarHBondContact OD1-CB 3.42Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.5Å; D218-T220 PolarHBondContact OD1-N 2.95Å; D218-T220 PolarHBondContact OD1-OG1 3.45Å; D218-T220 PolarHBondContact OD2-OG1 2.92Å
221	I	98.4	Very high	97.4	Very high	66 Å²	66	64.2 Å²	64.2	34%	0.338	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.2	-176.7	-54.3	-55	0	0	0	109.9	I188 I213 K215 E223	I188-I221 HydrophobicContact CG2-CD1 3.53Å; I188-I221 HydrophobicContact CG2-CG1 4.01Å; I213-I221 HydrophobicContact CG2-CG2 3.61Å; K215-I221 HydrophobicContact CB-CD1 3.92Å; K215-I221 HydrophobicContact CD-CD1 4.25Å; K215-I221 HydrophobicContact CG-CD1 3.76Å; I221-E223 HydrophobicContact CG2-CG 4.09Å
222	R	98.4	Very high	97.2	Very high	131 Å²	131	65.9 Å²	65.9	49%	0.494	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.4	170.5	-176.2	-179.1	68.2	-165.7	-0.3	109.7	I213 D214 L216	I213-R222 WeakPolarHBondContact CA-O 3.48Å; D214-R222 PolarHBondContact N-O 3.02Å; D214-R222 PolarHBondContact O-N 2.88Å; D214-R222 IonicContact OD2-CZ 3.21Å; D214-R222 IonicContact OD2-NE 2.78Å; D214-R222 PolarHBondContact OD2-NE 3.01Å; D214-R222 IonicContact OD2-NH2 3.53Å; D214-R222 PolarHBondContact OD2-NH2 2.93Å; L216-R222 HydrophobicContact CD1-CB 4.46Å; L216-R222 HydrophobicContact CD2-CB 4.35Å; L216-R222 HydrophobicContact CG-CB 4.42Å
223	E	98.1	Very high	97	Very high	96 Å²	96	66.5 Å²	66.5	45%	0.449	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.2	178.9	-54	-171.4	-171.4	0	0	111.9	K211 Q212 I213 I221	K211-E223 HydrophobicContact CD-CB 4.34Å; K211-E223 WeakPolarHBondContact CD-OE2 3.5Å; K211-E223 IonicContact NZ-OE2 3.84Å; K211-E223 PolarHBondContact NZ-OE2 3.45Å; Q212-E223 CarbonylContact O-C 3.54Å; Q212-E223 WeakPolarHBondContact O-CA 3.31Å; I213-E223 HydrophobicContact CG1-CG 4.11Å; I213-E223 HydrophobicContact CG2-CG 4.47Å; I221-E223 HydrophobicContact CG2-CG 4.09Å
224	Q	98.1	Very high	96.9	Very high	107 Å²	107	67.9 Å²	67.9	50%	0.5	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.9	174	-177.7	178.8	10.7	0	0	110.7	K211 Q212 L226	K211-Q224 CarbonylContact C-O 3.52Å; K211-Q224 WeakPolarHBondContact CA-O 3.2Å; Q212-Q224 PolarHBondContact N-O 2.96Å; Q212-Q224 PolarHBondContact O-N 3.01Å; Q224-L226 HydrophobicContact CG-CD2 4.12Å
225	D	98.1	Very high	96.8	Very high	89 Å²	89	68.4 Å²	68.4	48%	0.476	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.5	170.1	-65.2	-6.1	0	0	0	109.6	K211	K211-D225 WeakPolarHBondContact CE-OD1 3.5Å; K211-D225 IonicContact NZ-OD1 3.27Å; K211-D225 PolarHBondContact NZ-OD1 3.18Å
226	L	97.5	Very high	96.6	Very high	55 Å²	55	69.6 Å²	69.6	29%	0.288	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-53.5	-172.9	-59	177.7	0	0	0	112.7	L89 F210 Q212 Q224	L89-L226 HydrophobicContact CD1-CD1 3.48Å; L89-L226 VanDerWaalsContact CD1-CD1 3.48Å; L89-L226 HydrophobicContact CD2-CD1 3.59Å; L89-L226 HydrophobicContact CG-CD1 4.19Å; F210-L226 HydrophobicContact CD1-CD1 4.39Å; F210-L226 VanDerWaalsContact O-CB 3.31Å; F210-L226 WeakPolarHBondContact O-CB 3.38Å; F210-L226 PolarHBondContact O-N 3.29Å; Q212-L226 HydrophobicContact CB-CD1 3.99Å; Q212-L226 HydrophobicContact CB-CD2 4.3Å; Q212-L226 HydrophobicContact CB-CG 4.19Å; Q224-L226 HydrophobicContact CG-CD2 4.12Å
227	M	95.5	Very high	96.4	Very high	73 Å²	73	71 Å²	71	36%	0.36	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	163.1	-177.4	60.1	-95.6	-83	0	0	111.5	V209 F210 V229	V209-M227 CarbonylContact C-O 3.57Å; V209-M227 WeakPolarHBondContact CA-O 3.45Å; F210-M227 HydrophobicContact CB-CG 4.06Å; F210-M227 HydrophobicContact CB-SD 4.12Å; F210-M227 HydrophobicContact CD1-SD 3.83Å; F210-M227 HydrophobicContact CG-SD 4.49Å; F210-M227 PolarHBondContact N-O 3.01Å; M227-V229 HydrophobicContact CG-CG1 4.11Å
228	G	95.5	Very high	96.3	Very high	65 Å²	65	69.9 Å²	69.9	67%	0.67	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.3	167.2	0	0	0	0	0	111.3	Q208	Q208-G228 WeakPolarHBondContact O-CA 3.13Å
229	V	95.3	Very high	96.1	Very high	24 Å²	24	68.2 Å²	68.2	15%	0.145	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	171.5	177.9	-70.3	0	0	0	0	110.9	M82 P200 Q208 F210 M227 Y231	M82-V229 HydrophobicContact CE-CG1 3.78Å; M82-V229 HydrophobicContact SD-CG1 4.36Å; P200-V229 HydrophobicContact CB-CG2 3.88Å; Q208-V229 HydrophobicContact CB-CG2 4.26Å; Q208-V229 PolarHBondContact O-N 3.37Å; F210-V229 HydrophobicContact CB-CB 4.45Å; F210-V229 HydrophobicContact CB-CG1 3.7Å; F210-V229 HydrophobicContact CB-CG2 3.88Å; F210-V229 HydrophobicContact CG-CG1 4.25Å; M227-V229 HydrophobicContact CG-CG1 4.11Å; V229-Y231 HydrophobicContact CB-CD2 3.96Å; V229-Y231 HydrophobicContact CB-CE2 3.91Å; V229-Y231 HydrophobicContact CG1-CE2 4.29Å; V229-Y231 HydrophobicContact CG2-CD2 3.98Å; V229-Y231 HydrophobicContact CG2-CE2 4.15Å
230	M	93.5	Very high	96	Very high	172 Å²	172	68.9 Å²	68.9	85%	0.847	36%	0.357	S	S	*	.			trans	-140	109.3	173.7	-172.5	173.5	-69.7	0	0	109.6
231	Y	94.7	Very high	95.8	Very high	23 Å²	23	68.3 Å²	68.3	9%	0.09	35%	0.35	C	S	.	.			trans	-121	157.3	-179.8	-82.2	-116.3	0	0	0	110	M82 G177 P200 Q208 V229	M82-Y231 HydrophobicContact CE-CE2 3.86Å; M82-Y231 WeakPolarHBondContact CE-OH 3.35Å; G177-Y231 WeakPolarHBondContact O-CD1 3.25Å; P200-Y231 HydrophobicContact CB-CD2 3.96Å; P200-Y231 HydrophobicContact CB-CE2 4.48Å; P200-Y231 HydrophobicContact CB-CG 4Å; P200-Y231 HydrophobicContact CG-CD1 3.6Å; P200-Y231 HydrophobicContact CG-CD2 3.64Å; P200-Y231 HydrophobicContact CG-CE1 3.78Å; P200-Y231 HydrophobicContact CG-CE2 3.86Å; P200-Y231 HydrophobicContact CG-CG 3.52Å; Q208-Y231 PolarHBondContact NE2-O 3.26Å; Q208-Y231 PolarHBondContact OE1-O 3.44Å; V229-Y231 HydrophobicContact CB-CD2 3.96Å; V229-Y231 HydrophobicContact CB-CE2 3.91Å; V229-Y231 HydrophobicContact CG1-CE2 4.29Å; V229-Y231 HydrophobicContact CG2-CD2 3.98Å; V229-Y231 HydrophobicContact CG2-CE2 4.15Å
232	V	94	Very high	95.3	Very high	59 Å²	59	68.4 Å²	68.4	36%	0.358	37%	0.368	S	S	.	.			trans	-62.4	151.8	164.9	-62.8	0	0	0	0	110.1	A178 A179	A178-V232 CarbonylContact C-O 3.59Å; A178-V232 WeakPolarHBondContact CA-O 3.48Å; A178-V232 HydrophobicContact CB-CG2 4.36Å; A178-V232 WeakPolarHBondContact CB-O 3.35Å; A179-V232 PolarHBondContact N-O 2.76Å
233	P	96	Very high	94.2	Very high	27 Å²	27	66.7 Å²	66.7	18%	0.175	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-65.2	141.7	-179.1	27.6	-37.2	0	0	0	112.6	E204 T235	E204-P233 HydrophobicContact CB-CB 4.36Å; E204-P233 HydrophobicContact CG-CB 3.83Å; E204-P233 HydrophobicContact CG-CG 4.01Å; E204-P233 WeakPolarHBondContact OE1-CG 3.48Å; P233-T235 HydrophobicContact CG-CG2 4.35Å; P233-T235 PolarHBondContact O-N 2.79Å
234	L	97.1	Very high	92.2	Very high	29 Å²	29	67.5 Å²	67.5	15%	0.152	38%	0.378	C	S	.	.			trans	-76.3	100	164.9	-178.4	70	0	0	0	107.9	V103 R162 V176 A178 A179 A180 P184	V103-L234 HydrophobicContact CG1-CD1 3.95Å; R162-L234 HydrophobicContact CG-CD1 4.32Å; R162-L234 HydrophobicContact CG-CD2 3.93Å; R162-L234 HydrophobicContact CG-CG 3.76Å; V176-L234 HydrophobicContact CG1-CD1 4.21Å; V176-L234 HydrophobicContact CG1-CD2 4.09Å; A178-L234 HydrophobicContact CB-CB 3.82Å; A178-L234 HydrophobicContact CB-CD1 4.06Å; A179-L234 WeakPolarHBondContact O-CB 3.47Å; A179-L234 PolarHBondContact O-N 3.14Å; A180-L234 HydrophobicContact CB-CB 4.42Å; A180-L234 HydrophobicContact CB-CD2 3.8Å; P184-L234 HydrophobicContact CG-CD2 3.92Å
235	T	95.8	Very high	90.2	Very high	19 Å²	19	68 Å²	68	12%	0.117	39%	0.392	C	S	.	.			trans	-136.1	-176.8	-170	-164.9	0	0	0	0	111.5	H129 P233 H239 Q240	H129-T235 PolarHBondContact CE1-O 2.98Å; H129-T235 VanDerWaalsContact CE1-O 3.24Å; H129-T235 PolarHBondContact ND1-O 3.31Å; P233-T235 HydrophobicContact CG-CG2 4.35Å; P233-T235 PolarHBondContact O-N 2.79Å; T235-H239 HydrophobicContact CG2-CB 4.14Å; T235-H239 WeakPolarHBondContact OG1-CB 3.35Å; T235-H239 PolarHBondContact OG1-CD2 3.43Å; T235-H239 VanDerWaalsContact OG1-CG 3.24Å; T235-Q240 HydrophobicContact CG2-CB 4.03Å
236	D	95.2	Very high	87.8	Confident	58 Å²	58	67.1 Å²	67.1	31%	0.31	41%	0.405	S	S	.	.			trans	-85.9	169.6	165.6	55.7	62.9	0	0	0	112.8	H129 R162 D238 H239 Q240	H129-D236 PolarHBondContact CE1-O 3.15Å; R162-D236 IonicContact NH1-OD2 3.25Å; R162-D236 IonicContact NH2-OD2 2.9Å; D236-D238 VanDerWaalsContact C-N 3.3Å; D236-D238 PolarHBondContact O-N 2.9Å; D236-D238 PolarHBondContact OD1-N 3.44Å; D236-D238 VanDerWaalsContact OD1-N 3.14Å; D236-H239 WeakPolarHBondContact OD1-CB 3.33Å; D236-H239 PolarHBondContact OD1-N 3.5Å; D236-Q240 PolarHBondContact O-N 3.24Å; D236-Q240 VanDerWaalsContact O-N 3.1Å
237	R	93.7	Very high	85	Confident	86 Å²	86	67.9 Å²	67.9	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-59.4	-38.8	180	170.4	167.7	-174.1	-107.8	10.1	112.7	H129 I130 Q240 L241	H129-R237 PolarHBondContact CE1-N 3.45Å; H129-R237 PolarHBondContact ND1-N 2.85Å; I130-R237 HydrophobicContact CD1-CB 4.14Å; I130-R237 HydrophobicContact CD1-CG 3.62Å; R237-Q240 PolarHBondContact O-N 3.13Å; R237-L241 HydrophobicContact CG-CD1 3.71Å; R237-L241 HydrophobicContact CG-CG 4.31Å; R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 VanDerWaalsContact O-CG 3.23Å; R237-L241 WeakPolarHBondContact O-CG 3.37Å; R237-L241 PolarHBondContact O-N 3.18Å
238	D	94.5	Very high	82.4	Confident	68 Å²	68	69.1 Å²	69.1	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-71	-43.4	-174.4	-76.4	-18.2	0	0	0	110.5	D236 L241 G242 K243	D236-D238 VanDerWaalsContact C-N 3.3Å; D236-D238 PolarHBondContact O-N 2.9Å; D236-D238 PolarHBondContact OD1-N 3.44Å; D236-D238 VanDerWaalsContact OD1-N 3.14Å; D238-L241 PolarHBondContact O-N 3.39Å; D238-G242 PolarHBondContact O-N 2.96Å; D238-K243 HydrophobicContact CB-CB 4.08Å; D238-K243 PolarHBondContact O-N 3.15Å; D238-K243 WeakPolarHBondContact OD1-CD 3.21Å
239	H	94	Very high	79.6	Confident	84 Å²	84	81.2 Å²	81.2	39%	0.389	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-47.1	172.4	-172.9	85.9	0	0	0	112.1	E204 T235 D236 L241 G242	E204-H239 VanDerWaalsContact CD-NE2 3.35Å; E204-H239 IonicContact OE1-CD2 3.54Å; E204-H239 IonicContact OE1-CE1 2.93Å; E204-H239 IonicContact OE1-NE2 2.66Å; E204-H239 PolarHBondContact OE1-NE2 3.05Å; E204-H239 IonicContact OE2-CE1 3.09Å; E204-H239 IonicContact OE2-NE2 2.78Å; E204-H239 PolarHBondContact OE2-NE2 3.02Å; E204-H239 VanDerWaalsContact OE2-NE2 3.14Å; T235-H239 HydrophobicContact CG2-CB 4.14Å; T235-H239 WeakPolarHBondContact OG1-CB 3.35Å; T235-H239 PolarHBondContact OG1-CD2 3.43Å; T235-H239 VanDerWaalsContact OG1-CG 3.24Å; D236-H239 WeakPolarHBondContact OD1-CB 3.33Å; D236-H239 PolarHBondContact OD1-N 3.5Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 2.83Å; H239-G242 PolarHBondContact O-N 3.02Å
240	Q	94.6	Very high	78.9	Confident	47 Å²	47	84.1 Å²	84.1	22%	0.22	49%	0.49	C	S	.	.	H	α-helix	trans	-61.6	-37.5	179.2	-178.6	174.1	-53	0	0	112.5	Y73 H129 T235 D236 R237 G242	Y73-Q240 PolarHBondContact O-NE2 2.86Å; H129-Q240 PolarHBondContact CE1-OE1 2.71Å; H129-Q240 PolarHBondContact NE2-OE1 3.19Å; T235-Q240 HydrophobicContact CG2-CB 4.03Å; D236-Q240 PolarHBondContact O-N 3.24Å; D236-Q240 VanDerWaalsContact O-N 3.1Å; R237-Q240 PolarHBondContact O-N 3.13Å; Q240-G242 PolarHBondContact O-N 3.09Å
241	L	93.6	Very high	78.1	Confident	56 Å²	56	79.5 Å²	79.5	29%	0.293	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.7	179.1	-64.1	179.3	0	0	0	113.3	Y73 I130 R237 D238 H239 K243	Y73-L241 HydrophobicContact CD1-CD2 4.4Å; I130-L241 HydrophobicContact CD1-CD1 4.31Å; I130-L241 HydrophobicContact CD1-CD2 4.35Å; I130-L241 HydrophobicContact CD1-CG 4.26Å; R237-L241 HydrophobicContact CG-CD1 3.71Å; R237-L241 HydrophobicContact CG-CG 4.31Å; R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 VanDerWaalsContact O-CG 3.23Å; R237-L241 WeakPolarHBondContact O-CG 3.37Å; R237-L241 PolarHBondContact O-N 3.18Å; D238-L241 PolarHBondContact O-N 3.39Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 2.83Å; L241-K243 HydrophobicContact CB-CG 4.28Å; L241-K243 PolarHBondContact O-N 3.29Å
242	G	88.1	Confident	77.2	Confident	68 Å²	68	82.6 Å²	82.6	70%	0.701	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25.1	-178.9	0	0	0	0	0	113.4	D238 H239 Q240	D238-G242 PolarHBondContact O-N 2.96Å; H239-G242 PolarHBondContact O-N 3.02Å; Q240-G242 PolarHBondContact O-N 3.09Å
243	K	76	Confident	76.2	Confident	96 Å²	96	84 Å²	84	42%	0.417	50%	0.5	S	S	.	.			trans	-80.1	140.8	174.8	-67.7	-178.3	-178.9	177.2	0	109.3	D238 L241 S245	D238-K243 HydrophobicContact CB-CB 4.08Å; D238-K243 PolarHBondContact O-N 3.15Å; D238-K243 WeakPolarHBondContact OD1-CD 3.21Å; L241-K243 HydrophobicContact CB-CG 4.28Å; L241-K243 PolarHBondContact O-N 3.29Å; K243-S245 PolarHBondContact O-N 3.38Å
244	P	56.2	Low	74.9	Confident	113 Å²	113	87.6 Å²	87.6	73%	0.734	52%	0.52	S	S	*	.			trans	-58.4	126.7	173.9	1.5	1.2	0	0	0	109.6	G246	P244-G246 PolarHBondContact O-N 3.08Å; P244-G246 VanDerWaalsContact O-N 3.08Å
245	S	55.9	Low	73.4	Confident	116 Å²	116	91.5 Å²	91.5	81%	0.811	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	112.1	172.7	45.9	0	0	0	0	109	K243	K243-S245 PolarHBondContact O-N 3.38Å
246	G	47.3	Very low	71.9	Confident	71 Å²	71	96.6 Å²	96.6	73%	0.732	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.6	66.8	169.9	0	0	0	0	0	115.2	P244 A248	P244-G246 PolarHBondContact O-N 3.08Å; P244-G246 VanDerWaalsContact O-N 3.08Å; G246-A248 PolarHBondContact O-N 2.97Å
247	G	38.4	Very low	70.1	Confident	71 Å²	71	99.6 Å²	99.6	73%	0.732	60%	0.596	S	S	*	*			trans	-71.7	77.3	148.6	0	0	0	0	0	109.4	R249	G247-R249 PolarHBondContact O-N 2.91Å
248	A	41.7	Very low	68.1	Low	99 Å²	99	100.8 Å²	100.8	82%	0.818	62%	0.618	S	S	*	*			trans	-59.4	120.2	164.7	0	0	0	0	0	108.5	G246	G246-A248 PolarHBondContact O-N 2.97Å
249	R	36.9	Very low	65.7	Low	320 Å²	320	103.7 Å²	103.7	100%	1.208	64%	0.641	S	S	*	*			trans	-123.8	0	153.6	-75.2	-166.9	-172.8	-149.9	3.2	107.5	G247	G247-R249 PolarHBondContact O-N 2.91Å

Retrieved 249 of 249 residues in 65.5 ms (Link to these results)

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