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Peptide-methionine (R)-S-oxide reductase

Methionine-sulfoxide reductase that specifically reduces methionine (R)-sulfoxide back to methionine. While in many cases methionine oxidation is the result of random oxidation following oxidative stress, methionine oxidation is also a post-translational modification that takes place on specific residues.

AlphaFold DB , UniProt , Accession A0A077Z436, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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	45.7	Very low	39.4	Very low	241 Å²	241	116.5 Å²	116.5	100%	1.187	77%	0.768	S	S	*	*				0	115.8	0	-63	-178.5	-172.6	0	0	106.5
2	A	37.4	Very low	39.9	Very low	96 Å²	96	116.8 Å²	116.8	79%	0.793	77%	0.774	S	S	*	*			trans	-87.8	126.8	177.6	0	0	0	0	0	108.7
3	S	38.5	Very low	41	Very low	109 Å²	109	113.5 Å²	113.5	76%	0.762	74%	0.744	S	S	*	*			trans	-124.8	89.1	169.1	-61.1	0	0	0	0	106.8	S5	S3-S5 PolarHBondContact O-N 2.77Å
4	N	33.7	Very low	42	Very low	163 Å²	163	114.5 Å²	114.5	87%	0.872	74%	0.74	S	S	*	*			trans	-72.6	100.6	166.5	-76.9	-30.2	0	0	0	107.4
5	S	36.6	Very low	42.3	Very low	115 Å²	115	110.9 Å²	110.9	80%	0.804	73%	0.732	S	S	*	*			trans	-89.5	106.2	163.7	-70.2	0	0	0	0	107.5	S3 A7	S3-S5 PolarHBondContact O-N 2.77Å; S5-A7 PolarHBondContact O-N 3.24Å
6	A	38	Very low	42.8	Very low	95 Å²	95	106.9 Å²	106.9	79%	0.785	70%	0.701	S	S	*	*			trans	-54.1	134.2	170.6	0	0	0	0	0	109.6	G8	A6-G8 PolarHBondContact O-N 2.92Å
7	A	44.4	Very low	43.2	Very low	94 Å²	94	111.4 Å²	111.4	78%	0.777	70%	0.701	S	S	*	*			trans	-55.9	100.4	168.4	0	0	0	0	0	108.5	S5 N9	S5-A7 PolarHBondContact O-N 3.24Å; A7-N9 PolarHBondContact O-N 3.32Å
8	G	30.7	Very low	43.8	Very low	60 Å²	60	116.1 Å²	116.1	62%	0.619	71%	0.709	S	S	*	*			trans	-68.9	113.1	170.5	0	0	0	0	0	107.7	A6 P10	A6-G8 PolarHBondContact O-N 2.92Å; G8-P10 WeakPolarHBondContact O-CD 3.23Å
9	N	42.1	Very low	44.3	Very low	142 Å²	142	114.1 Å²	114.1	76%	0.759	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.9	120.6	170.2	-71.6	-49	0	0	0	108.5	A7	A7-N9 PolarHBondContact O-N 3.32Å
10	P	48.3	Very low	45.1	Very low	47 Å²	47	111 Å²	111	31%	0.305	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-64.5	152.4	169.8	25.7	-29.6	0	0	0	109.9	G8	G8-P10 WeakPolarHBondContact O-CD 3.23Å
11	P	38.1	Very low	46.7	Very low	120 Å²	120	112.6 Å²	112.6	78%	0.779	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.3	142.7	-170.4	22.2	-32	0	0	0	112	D13	P11-D13 PolarHBondContact O-N 3.23Å
12	S	45.1	Very low	48.6	Very low	120 Å²	120	102.5 Å²	102.5	84%	0.839	64%	0.636	S	S	*	*			trans	-56.9	100.4	-178.7	52	0	0	0	0	111.6	D14	S12-D14 VanDerWaalsContact C-N 3.26Å; S12-D14 PolarHBondContact O-N 2.8Å
13	D	54.2	Low	50.7	Low	73 Å²	73	100.4 Å²	100.4	39%	0.39	62%	0.615	S	S	.	*			trans	-84.7	28.6	-172.1	-162.8	22	0	0	0	114.5	P11 G15 L16 R33	P11-D13 PolarHBondContact O-N 3.23Å; D13-G15 PolarHBondContact O-N 3.5Å; D13-G15 VanDerWaalsContact O-N 3.09Å; D13-L16 PolarHBondContact O-N 2.75Å; D13-L16 WeakPolarHBondContact OD1-CB 3.5Å; D13-R33 IonicContact OD1-NH1 3.45Å; D13-R33 IonicContact OD2-NH1 2.79Å; D13-R33 PolarHBondContact OD2-NH1 3.35Å
14	D	55.5	Low	53	Low	128 Å²	128	101.2 Å²	101.2	68%	0.684	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-22.8	-173.8	-135.2	16.8	0	0	0	112.2	S12	S12-D14 VanDerWaalsContact C-N 3.26Å; S12-D14 PolarHBondContact O-N 2.8Å
15	G	46	Very low	55.7	Low	60 Å²	60	94.1 Å²	94.1	62%	0.619	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-30	178.4	0	0	0	0	0	115.2	D13	D13-G15 PolarHBondContact O-N 3.5Å; D13-G15 VanDerWaalsContact O-N 3.09Å
16	L	49.9	Very low	58.3	Low	47 Å²	47	91.5 Å²	91.5	25%	0.246	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-94	-8.8	-164.4	-155.2	77.7	0	0	0	115	D13 K18 A19	D13-L16 PolarHBondContact O-N 2.75Å; D13-L16 WeakPolarHBondContact OD1-CB 3.5Å; L16-K18 PolarHBondContact O-N 3.28Å; L16-A19 HydrophobicContact CD1-CB 4.11Å; L16-A19 PolarHBondContact O-N 3.46Å; L16-A19 VanDerWaalsContact O-N 3.16Å
17	R	50.3	Low	60.9	Low	184 Å²	184	90.4 Å²	90.4	69%	0.694	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-49.4	-19.9	164.6	-67.4	-174.9	180	178.6	2.6	112.2
18	K	53.1	Low	63.3	Low	195 Å²	195	91.3 Å²	91.3	85%	0.848	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-95.5	-22	-176.5	-66.1	-177.5	178.6	176.9	0	116.6	L16	L16-K18 PolarHBondContact O-N 3.28Å
19	A	54.6	Low	66.3	Low	79 Å²	79	91.3 Å²	91.3	65%	0.653	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-42.4	-170.5	0	0	0	0	0	114.3	L16	L16-A19 HydrophobicContact CD1-CB 4.11Å; L16-A19 PolarHBondContact O-N 3.46Å; L16-A19 VanDerWaalsContact O-N 3.16Å
20	V	60.2	Low	68.9	Low	51 Å²	51	84.7 Å²	84.7	31%	0.309	47%	0.47	S	S	.	.	S	Bend	trans	-129.2	127.1	177	-179.3	0	0	0	0	107	V22 Q24 L25	V20-V22 PolarHBondContact O-N 2.76Å; V20-Q24 HydrophobicContact CG1-CB 4.27Å; V20-L25 HydrophobicContact CB-CD2 4.48Å; V20-L25 HydrophobicContact CG1-CD2 3.96Å
21	K	79	Confident	71.1	Confident	145 Å²	145	88.2 Å²	88.2	63%	0.63	48%	0.48	S	S	*	.			trans	-62	126.8	173.9	-64.6	-178.5	178.8	178.3	0	106.7	S23 Q24	K21-S23 PolarHBondContact O-N 3.03Å; K21-Q24 HydrophobicContact CB-CG 4.05Å; K21-Q24 WeakPolarHBondContact O-CA 3.45Å; K21-Q24 WeakPolarHBondContact O-CB 3.4Å; K21-Q24 PolarHBondContact O-N 3.23Å
22	V	85.8	Confident	73.8	Confident	30 Å²	30	90.4 Å²	90.4	18%	0.182	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-51.9	-28.9	-178.3	67.9	0	0	0	0	113.2	V20 Q24 L25 W30 C69 T117 C118	V20-V22 PolarHBondContact O-N 2.76Å; V22-Q24 PolarHBondContact O-N 3.27Å; V22-L25 HydrophobicContact CG2-CD1 4.18Å; V22-L25 PolarHBondContact O-N 3.33Å; V22-W30 HydrophobicContact CG2-CH2 3.39Å; V22-W30 HydrophobicContact CG2-CZ2 3.67Å; V22-W30 WeakPolarHBondContact O-CZ2 3.24Å; V22-C69 HydrophobicContact CB-CB 4.4Å; V22-C69 HydrophobicContact CG1-CB 4.02Å; V22-C69 HydrophobicContact CG2-CB 3.7Å; V22-T117 HydrophobicContact CG1-CG2 3.83Å; V22-C118 HydrophobicContact CG1-CB 3.97Å; V22-C118 HydrophobicContact CG2-CB 4.06Å
23	S	81	Confident	76.1	Confident	52 Å²	52	88.3 Å²	88.3	36%	0.364	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-69.4	-9.1	174	56.3	0	0	0	0	115.4	K21	K21-S23 PolarHBondContact O-N 3.03Å
24	Q	85.7	Confident	78.1	Confident	126 Å²	126	85.5 Å²	85.5	59%	0.589	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-108.2	-1.7	-177.9	-61.5	178.6	-50.7	0	0	113.3	V20 K21 V22	V20-Q24 HydrophobicContact CG1-CB 4.27Å; K21-Q24 HydrophobicContact CB-CG 4.05Å; K21-Q24 WeakPolarHBondContact O-CA 3.45Å; K21-Q24 WeakPolarHBondContact O-CB 3.4Å; K21-Q24 PolarHBondContact O-N 3.23Å; V22-Q24 PolarHBondContact O-N 3.27Å
25	L	90.3	Very high	80.1	Confident	13 Å²	13	82.7 Å²	82.7	7%	0.068	43%	0.426	C	S	.	.			trans	-62.5	137.4	175.4	-68.5	175.3	0	0	0	110.8	V20 V22 E29 W30	V20-L25 HydrophobicContact CB-CD2 4.48Å; V20-L25 HydrophobicContact CG1-CD2 3.96Å; V22-L25 HydrophobicContact CG2-CD1 4.18Å; V22-L25 PolarHBondContact O-N 3.33Å; L25-E29 WeakPolarHBondContact CA-OE2 3.39Å; L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 4.18Å; L25-E29 HydrophobicContact CD2-CG 4.48Å; L25-W30 HydrophobicContact CB-CD2 4.4Å; L25-W30 HydrophobicContact CB-CZ2 4.18Å; L25-W30 HydrophobicContact CD1-CD2 4.35Å; L25-W30 HydrophobicContact CD1-CE3 4.46Å; L25-W30 HydrophobicContact CD1-CH2 3.86Å; L25-W30 HydrophobicContact CD1-CZ2 3.74Å; L25-W30 HydrophobicContact CD1-CZ3 4.22Å; L25-W30 HydrophobicContact CG-CZ2 4.47Å; L25-W30 PolarHBondContact O-NE1 3.03Å
26	T	92.5	Very high	82.6	Confident	60 Å²	60	83.8 Å²	83.8	37%	0.368	43%	0.429	S	S	.	.			trans	-69.7	158.8	176.6	59.4	0	0	0	0	111.7	E28 E29 W30	T26-E28 PolarHBondContact O-N 3.26Å; T26-E29 WeakPolarHBondContact CB-OE2 3.43Å; T26-E29 PolarHBondContact N-OE2 3.18Å; T26-E29 PolarHBondContact O-N 3.4Å; T26-E29 WeakPolarHBondContact OG1-CB 3.33Å; T26-E29 VanDerWaalsContact OG1-CG 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.26Å; T26-E29 PolarHBondContact OG1-OE2 3.04Å; T26-W30 VanDerWaalsContact O-CD1 3.27Å; T26-W30 PolarHBondContact O-N 3.13Å
27	P	92.6	Very high	84.8	Confident	73 Å²	73	86.2 Å²	86.2	47%	0.474	44%	0.439	S	S	.	.	H	α-helix	trans	-53.5	-38	172.3	-26.7	36.3	0	0	0	113.2	W30 K31 F39	P27-W30 PolarHBondContact O-N 2.93Å; P27-K31 WeakPolarHBondContact O-CG 3.47Å; P27-K31 PolarHBondContact O-N 3.43Å; P27-F39 HydrophobicContact CB-CZ 4.38Å; P27-F39 WeakPolarHBondContact O-CE2 3.23Å
28	E	94.5	Very high	87.1	Confident	112 Å²	112	78.6 Å²	78.6	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-65.9	-44.6	178.8	-70.8	61.4	-134.8	0	0	111.7	T26 W30 K31 Q32	T26-E28 PolarHBondContact O-N 3.26Å; E28-W30 VanDerWaalsContact C-N 3.29Å; E28-W30 PolarHBondContact O-N 3.22Å; E28-K31 PolarHBondContact O-N 3.12Å; E28-Q32 WeakPolarHBondContact O-CG 3.44Å; E28-Q32 PolarHBondContact O-N 3.17Å; E28-Q32 VanDerWaalsContact O-N 3.13Å
29	E	94.4	Very high	89.2	Confident	61 Å²	61	69.8 Å²	69.8	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-36.8	174.6	-72.5	167.8	121.3	0	0	111.6	L25 T26 Q32 R33	L25-E29 WeakPolarHBondContact CA-OE2 3.39Å; L25-E29 HydrophobicContact CB-CB 4.31Å; L25-E29 HydrophobicContact CD2-CB 4.18Å; L25-E29 HydrophobicContact CD2-CG 4.48Å; T26-E29 WeakPolarHBondContact CB-OE2 3.43Å; T26-E29 PolarHBondContact N-OE2 3.18Å; T26-E29 PolarHBondContact O-N 3.4Å; T26-E29 WeakPolarHBondContact OG1-CB 3.33Å; T26-E29 VanDerWaalsContact OG1-CG 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.26Å; T26-E29 PolarHBondContact OG1-OE2 3.04Å; E29-Q32 PolarHBondContact O-N 3.05Å; E29-R33 WeakPolarHBondContact O-CD 3.4Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.47Å; E29-R33 PolarHBondContact O-N 3.36Å
30	W	95.5	Very high	91.3	Very high	3 Å²	3	70.3 Å²	70.3	1%	0.011	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-42.8	173.8	-79.3	120.9	0	0	0	112.6	V22 L25 T26 P27 E28 Q32 R33 L34 F39 R43 C68 C118	V22-W30 HydrophobicContact CG2-CH2 3.39Å; V22-W30 HydrophobicContact CG2-CZ2 3.67Å; V22-W30 WeakPolarHBondContact O-CZ2 3.24Å; L25-W30 HydrophobicContact CB-CD2 4.4Å; L25-W30 HydrophobicContact CB-CZ2 4.18Å; L25-W30 HydrophobicContact CD1-CD2 4.35Å; L25-W30 HydrophobicContact CD1-CE3 4.46Å; L25-W30 HydrophobicContact CD1-CH2 3.86Å; L25-W30 HydrophobicContact CD1-CZ2 3.74Å; L25-W30 HydrophobicContact CD1-CZ3 4.22Å; L25-W30 HydrophobicContact CG-CZ2 4.47Å; L25-W30 PolarHBondContact O-NE1 3.03Å; T26-W30 VanDerWaalsContact O-CD1 3.27Å; T26-W30 PolarHBondContact O-N 3.13Å; P27-W30 PolarHBondContact O-N 2.93Å; E28-W30 VanDerWaalsContact C-N 3.29Å; E28-W30 PolarHBondContact O-N 3.22Å; W30-Q32 PolarHBondContact O-N 3.39Å; W30-R33 PolarHBondContact O-N 2.89Å; W30-L34 HydrophobicContact CB-CD1 4.4Å; W30-L34 HydrophobicContact CD2-CD1 4.44Å; W30-L34 HydrophobicContact CE3-CD1 3.83Å; W30-L34 HydrophobicContact CE3-CG 4.07Å; W30-L34 WeakPolarHBondContact O-CB 3.28Å; W30-L34 WeakPolarHBondContact O-CG 3.42Å; W30-L34 PolarHBondContact O-N 2.59Å; W30-F39 HydrophobicContact CB-CD2 3.91Å; W30-F39 HydrophobicContact CB-CE2 3.79Å; W30-R43 HydrophobicContact CB-CG 4.36Å; W30-R43 HydrophobicContact CG-CG 4.37Å; W30-C68 HydrophobicContact CH2-CB 3.64Å; W30-C68 WeakPolarHBondContact CH2-O 3.2Å; W30-C68 HydrophobicContact CZ3-CB 3.66Å; W30-C68 WeakPolarHBondContact CZ3-O 3.46Å; W30-C118 HydrophobicContact CZ2-CB 4.41Å
31	K	95.4	Very high	93.1	Very high	121 Å²	121	68 Å²	68	53%	0.526	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-26.4	175.9	-75.5	177.7	-179.9	173.5	0	113.4	P27 E28 F39	P27-K31 WeakPolarHBondContact O-CG 3.47Å; P27-K31 PolarHBondContact O-N 3.43Å; E28-K31 PolarHBondContact O-N 3.12Å; K31-F39 HydrophobicContact CB-CD2 4.46Å; K31-F39 HydrophobicContact CD-CE1 4.47Å; K31-F39 HydrophobicContact CD-CE2 4.44Å; K31-F39 HydrophobicContact CD-CZ 4.26Å; K31-F39 HydrophobicContact CG-CD1 4.19Å; K31-F39 HydrophobicContact CG-CD2 3.61Å; K31-F39 HydrophobicContact CG-CE1 4.1Å; K31-F39 HydrophobicContact CG-CE2 3.52Å; K31-F39 HydrophobicContact CG-CG 3.97Å; K31-F39 HydrophobicContact CG-CZ 3.78Å
32	Q	94.8	Very high	94	Very high	166 Å²	166	61.2 Å²	61.2	78%	0.776	32%	0.319	S	S	*	.	H	α-helix	trans	-78.5	-23.2	175	-70.6	175.4	-3.5	0	0	113.1	E28 E29 W30	E28-Q32 WeakPolarHBondContact O-CG 3.44Å; E28-Q32 PolarHBondContact O-N 3.17Å; E28-Q32 VanDerWaalsContact O-N 3.13Å; E29-Q32 PolarHBondContact O-N 3.05Å; W30-Q32 PolarHBondContact O-N 3.39Å
33	R	93.3	Very high	94.6	Very high	75 Å²	75	63.5 Å²	63.5	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-97.2	-31.4	-176	-68.5	167.2	-174.9	-110	-2.3	113.3	D13 E29 W30	D13-R33 IonicContact OD1-NH1 3.45Å; D13-R33 IonicContact OD2-NH1 2.79Å; D13-R33 PolarHBondContact OD2-NH1 3.35Å; E29-R33 WeakPolarHBondContact O-CD 3.4Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.47Å; E29-R33 PolarHBondContact O-N 3.36Å; W30-R33 PolarHBondContact O-N 2.89Å
34	L	96.2	Very high	95.3	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.073	33%	0.33	C	S	.	.	S	Bend	trans	-106.2	149.7	-172.3	-60.7	177.5	0	0	0	110.3	W30 Q38 F39 R43 V67	W30-L34 HydrophobicContact CB-CD1 4.4Å; W30-L34 HydrophobicContact CD2-CD1 4.44Å; W30-L34 HydrophobicContact CE3-CD1 3.83Å; W30-L34 HydrophobicContact CE3-CG 4.07Å; W30-L34 WeakPolarHBondContact O-CB 3.28Å; W30-L34 WeakPolarHBondContact O-CG 3.42Å; W30-L34 PolarHBondContact O-N 2.59Å; L34-Q38 HydrophobicContact CB-CB 3.89Å; L34-Q38 HydrophobicContact CD2-CB 4.24Å; L34-Q38 HydrophobicContact CG-CB 4.48Å; L34-F39 HydrophobicContact CB-CB 4.21Å; L34-F39 HydrophobicContact CD1-CB 4.47Å; L34-F39 HydrophobicContact CD1-CD2 4.49Å; L34-R43 HydrophobicContact CD1-CG 4.24Å; L34-V67 HydrophobicContact CD2-CG1 4.38Å
35	T	97.3	Very high	95.8	Very high	70 Å²	70	62.4 Å²	62.4	43%	0.429	32%	0.324	S	S	.	.			trans	-62.7	160.3	162.9	71.8	0	0	0	0	109.8	E37 Q38 F39	T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 3.11Å; T35-Q38 PolarHBondContact O-N 2.85Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.35Å; T35-Q38 VanDerWaalsContact OG1-CG 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.38Å; T35-Q38 PolarHBondContact OG1-N 3.34Å; T35-Q38 PolarHBondContact OG1-OE1 2.96Å; T35-F39 WeakPolarHBondContact O-CB 3.45Å; T35-F39 PolarHBondContact O-N 3.49Å
36	A	97.5	Very high	96.1	Very high	82 Å²	82	63.4 Å²	63.4	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-54.9	-43.6	177.8	0	0	0	0	0	111.9	F39 E40	A36-F39 PolarHBondContact O-N 3.44Å; A36-E40 WeakPolarHBondContact O-CG 3.37Å; A36-E40 PolarHBondContact O-N 3.24Å
37	E	97.3	Very high	96.3	Very high	98 Å²	98	64.4 Å²	64.4	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-43.4	178.6	-175.1	172.3	-149.9	0	0	112.6	T35 F39 E40 V41 V142	T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 3.11Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 3.1Å; E37-E40 PolarHBondContact O-N 2.85Å; E37-V41 PolarHBondContact O-N 2.96Å; E37-V142 HydrophobicContact CG-CB 4.47Å; E37-V142 HydrophobicContact CG-CG1 4.05Å; E37-V142 HydrophobicContact CG-CG2 4.26Å
38	Q	98.4	Very high	96.5	Very high	24 Å²	24	61.1 Å²	61.1	11%	0.112	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-42.2	173.9	-75.3	168.6	-10.2	0	0	111.2	L34 T35 T42 V67 V142	L34-Q38 HydrophobicContact CB-CB 3.89Å; L34-Q38 HydrophobicContact CD2-CB 4.24Å; L34-Q38 HydrophobicContact CG-CB 4.48Å; T35-Q38 PolarHBondContact O-N 2.85Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.35Å; T35-Q38 VanDerWaalsContact OG1-CG 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.38Å; T35-Q38 PolarHBondContact OG1-N 3.34Å; T35-Q38 PolarHBondContact OG1-OE1 2.96Å; Q38-T42 VanDerWaalsContact O-CB 3.28Å; Q38-T42 WeakPolarHBondContact O-CB 3.12Å; Q38-T42 WeakPolarHBondContact O-CG2 3.33Å; Q38-T42 PolarHBondContact O-N 3.19Å; Q38-T42 PolarHBondContact O-OG1 3.25Å; Q38-V67 HydrophobicContact CG-CG1 4.46Å; Q38-V67 HydrophobicContact CG-CG2 4.29Å; Q38-V67 VanDerWaalsContact NE2-CG2 3.35Å; Q38-V142 HydrophobicContact CG-CB 4.5Å; Q38-V142 WeakPolarHBondContact CG-O 3.3Å
39	F	98	Very high	96.7	Very high	11 Å²	11	65.6 Å²	65.6	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-50.4	177.4	-178.6	-91.5	0	0	0	111.3	P27 W30 K31 L34 T35 A36 E37 V41 T42 R43	P27-F39 HydrophobicContact CB-CZ 4.38Å; P27-F39 WeakPolarHBondContact O-CE2 3.23Å; W30-F39 HydrophobicContact CB-CD2 3.91Å; W30-F39 HydrophobicContact CB-CE2 3.79Å; K31-F39 HydrophobicContact CB-CD2 4.46Å; K31-F39 HydrophobicContact CD-CE1 4.47Å; K31-F39 HydrophobicContact CD-CE2 4.44Å; K31-F39 HydrophobicContact CD-CZ 4.26Å; K31-F39 HydrophobicContact CG-CD1 4.19Å; K31-F39 HydrophobicContact CG-CD2 3.61Å; K31-F39 HydrophobicContact CG-CE1 4.1Å; K31-F39 HydrophobicContact CG-CE2 3.52Å; K31-F39 HydrophobicContact CG-CG 3.97Å; K31-F39 HydrophobicContact CG-CZ 3.78Å; L34-F39 HydrophobicContact CB-CB 4.21Å; L34-F39 HydrophobicContact CD1-CB 4.47Å; L34-F39 HydrophobicContact CD1-CD2 4.49Å; T35-F39 WeakPolarHBondContact O-CB 3.45Å; T35-F39 PolarHBondContact O-N 3.49Å; A36-F39 PolarHBondContact O-N 3.44Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 3.1Å; F39-V41 PolarHBondContact O-N 3.16Å; F39-T42 PolarHBondContact O-N 2.79Å; F39-R43 HydrophobicContact CD2-CB 4.15Å; F39-R43 HydrophobicContact CD2-CG 3.75Å; F39-R43 HydrophobicContact CE2-CB 3.96Å; F39-R43 HydrophobicContact CE2-CG 3.81Å; F39-R43 HydrophobicContact CG-CB 4.5Å; F39-R43 HydrophobicContact CG-CG 4.38Å; F39-R43 HydrophobicContact CZ-CB 4.14Å; F39-R43 HydrophobicContact CZ-CG 4.5Å; F39-R43 WeakPolarHBondContact O-CA 3.37Å; F39-R43 VanDerWaalsContact O-CB 3.23Å; F39-R43 WeakPolarHBondContact O-CB 3.37Å; F39-R43 PolarHBondContact O-N 3.42Å
40	E	98.1	Very high	96.8	Very high	89 Å²	89	65.8 Å²	65.8	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-46.3	179.5	-69.6	-52.7	135.2	0	0	111.8	A36 E37 N44 S45 A46	A36-E40 WeakPolarHBondContact O-CG 3.37Å; A36-E40 PolarHBondContact O-N 3.24Å; E37-E40 PolarHBondContact O-N 2.85Å; E40-N44 VanDerWaalsContact CD-ND2 3.28Å; E40-N44 CarbonylContact O-C 3.52Å; E40-N44 WeakPolarHBondContact O-CA 3.35Å; E40-N44 WeakPolarHBondContact O-CB 3.29Å; E40-N44 PolarHBondContact O-N 2.82Å; E40-N44 VanDerWaalsContact O-N 3.11Å; E40-N44 PolarHBondContact OE1-ND2 2.9Å; E40-N44 PolarHBondContact OE2-ND2 2.87Å; E40-S45 PolarHBondContact O-N 2.95Å; E40-A46 HydrophobicContact CB-CB 3.99Å; E40-A46 VanDerWaalsContact O-CB 3.3Å; E40-A46 WeakPolarHBondContact O-CB 3.39Å; E40-A46 PolarHBondContact O-N 2.71Å
41	V	98.4	Very high	96.8	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.024	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-52.3	179.2	169.8	0	0	0	0	111.2	E37 F39 S45 A46 H121 N140 V142 A143	E37-V41 PolarHBondContact O-N 2.96Å; F39-V41 PolarHBondContact O-N 3.16Å; V41-S45 WeakPolarHBondContact O-CA 3.35Å; V41-S45 PolarHBondContact O-N 3.5Å; V41-A46 HydrophobicContact CG2-CB 4.25Å; V41-H121 WeakPolarHBondContact O-CB 3.32Å; V41-H121 PolarHBondContact O-CD2 3.35Å; V41-H121 VanDerWaalsContact O-CD2 3.3Å; V41-N140 HydrophobicContact CG1-CB 3.62Å; V41-V142 HydrophobicContact CB-CG2 3.77Å; V41-V142 HydrophobicContact CG1-CG2 3.88Å; V41-V142 HydrophobicContact CG2-CG2 3.54Å; V41-A143 HydrophobicContact CG1-CB 4.23Å
42	T	98	Very high	96.9	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-82.5	-25	-169.2	63.1	0	0	0	0	114.1	Q38 F39 V67 C68 A120 H121 A143	Q38-T42 VanDerWaalsContact O-CB 3.28Å; Q38-T42 WeakPolarHBondContact O-CB 3.12Å; Q38-T42 WeakPolarHBondContact O-CG2 3.33Å; Q38-T42 PolarHBondContact O-N 3.19Å; Q38-T42 PolarHBondContact O-OG1 3.25Å; F39-T42 PolarHBondContact O-N 2.79Å; T42-V67 HydrophobicContact CG2-CG1 3.91Å; T42-C68 PolarHBondContact OG1-SG 2.95Å; T42-C68 VanDerWaalsContact OG1-SG 3.39Å; T42-A120 HydrophobicContact CG2-CB 4.35Å; T42-A120 CarbonylContact O-C 3.58Å; T42-A120 VanDerWaalsContact O-CA 3.29Å; T42-A120 WeakPolarHBondContact O-CA 3.33Å; T42-H121 PolarHBondContact O-N 2.79Å; T42-A143 HydrophobicContact CG2-CB 3.86Å
43	R	97.3	Very high	97	Very high	78 Å²	78	61.1 Å²	61.1	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-110.2	-28.6	-175.4	-53.3	-51.3	-55.4	172.2	-2	113.6	W30 L34 F39 C118	W30-R43 HydrophobicContact CB-CG 4.36Å; W30-R43 HydrophobicContact CG-CG 4.37Å; L34-R43 HydrophobicContact CD1-CG 4.24Å; F39-R43 HydrophobicContact CD2-CB 4.15Å; F39-R43 HydrophobicContact CD2-CG 3.75Å; F39-R43 HydrophobicContact CE2-CB 3.96Å; F39-R43 HydrophobicContact CE2-CG 3.81Å; F39-R43 HydrophobicContact CG-CB 4.5Å; F39-R43 HydrophobicContact CG-CG 4.38Å; F39-R43 HydrophobicContact CZ-CB 4.14Å; F39-R43 HydrophobicContact CZ-CG 4.5Å; F39-R43 WeakPolarHBondContact O-CA 3.37Å; F39-R43 VanDerWaalsContact O-CB 3.23Å; F39-R43 WeakPolarHBondContact O-CB 3.37Å; F39-R43 PolarHBondContact O-N 3.42Å; R43-C118 PolarHBondContact NH1-O 2.79Å
44	N	96.4	Very high	97.1	Very high	89 Å²	89	63 Å²	63	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-110.9	11.2	180	-61.8	-22.8	0	0	0	113.1	E40 A46	E40-N44 VanDerWaalsContact CD-ND2 3.28Å; E40-N44 CarbonylContact O-C 3.52Å; E40-N44 WeakPolarHBondContact O-CA 3.35Å; E40-N44 WeakPolarHBondContact O-CB 3.29Å; E40-N44 PolarHBondContact O-N 2.82Å; E40-N44 VanDerWaalsContact O-N 3.11Å; E40-N44 PolarHBondContact OE1-ND2 2.9Å; E40-N44 PolarHBondContact OE2-ND2 2.87Å; N44-A46 PolarHBondContact O-N 2.91Å; N44-A46 VanDerWaalsContact O-N 3.17Å
45	S	96	Very high	97.1	Very high	66 Å²	66	63.5 Å²	63.5	46%	0.462	35%	0.347	S	S	.	.			trans	53.5	33.3	-179.3	-58.3	0	0	0	0	113.6	E40 V41 E112	E40-S45 PolarHBondContact O-N 2.95Å; V41-S45 WeakPolarHBondContact O-CA 3.35Å; V41-S45 PolarHBondContact O-N 3.5Å; S45-E112 PolarHBondContact OG-OE1 2.78Å
46	A	96.5	Very high	97	Very high	34 Å²	34	60.6 Å²	60.6	28%	0.281	33%	0.33	S	S	.	.			trans	-68.9	166.6	169.4	0	0	0	0	0	110.8	E40 V41 N44	E40-A46 HydrophobicContact CB-CB 3.99Å; E40-A46 VanDerWaalsContact O-CB 3.3Å; E40-A46 WeakPolarHBondContact O-CB 3.39Å; E40-A46 PolarHBondContact O-N 2.71Å; V41-A46 HydrophobicContact CG2-CB 4.25Å; N44-A46 PolarHBondContact O-N 2.91Å; N44-A46 VanDerWaalsContact O-N 3.17Å
47	T	96.8	Very high	96.9	Very high	80 Å²	80	61.2 Å²	61.2	49%	0.491	32%	0.322	S	S	.	.			trans	-122.4	130.6	174.9	-54.9	0	0	0	0	109.2	W86 N140	T47-W86 HydrophobicContact CG2-CZ2 3.95Å; T47-N140 WeakPolarHBondContact CA-OD1 3.34Å
48	E	97.2	Very high	96.9	Very high	5 Å²	5	59.5 Å²	59.5	2%	0.023	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.1	157.1	175	75.3	-176.5	-168	0	0	110.5	S53 W86 N140 G141 V142	E48-S53 VanDerWaalsContact OE1-CB 3.26Å; E48-S53 WeakPolarHBondContact OE1-CB 3.28Å; E48-W86 PolarHBondContact O-NE1 3.13Å; E48-N140 HydrophobicContact CG-CB 4.24Å; E48-N140 PolarHBondContact N-OD1 3.39Å; E48-G141 PolarHBondContact OE1-N 3.27Å; E48-G141 PolarHBondContact OE2-N 2.99Å; E48-V142 HydrophobicContact CB-CG2 4.19Å; E48-V142 VanDerWaalsContact OE2-CG1 3.3Å; E48-V142 WeakPolarHBondContact OE2-CG1 3.43Å; E48-V142 WeakPolarHBondContact OE2-CG2 3.46Å; E48-V142 PolarHBondContact OE2-N 3.49Å
49	R	96.9	Very high	96.8	Very high	205 Å²	205	63.2 Å²	63.2	77%	0.774	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-64.3	144.3	176.4	-67.7	-175.5	-176.5	-168.1	1.5	110.6	S52	R49-S52 WeakPolarHBondContact O-CB 3.22Å; R49-S52 PolarHBondContact O-N 2.89Å; R49-S52 PolarHBondContact O-OG 2.72Å
50	P	97.2	Very high	96.8	Very high	66 Å²	66	68.2 Å²	68.2	43%	0.429	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	143.6	174.9	27.2	-35	0	0	0	110.6	S52 W86	P50-S52 PolarHBondContact O-N 2.76Å; P50-S52 VanDerWaalsContact O-N 3.16Å; P50-W86 HydrophobicContact CB-CH2 3.91Å; P50-W86 HydrophobicContact CB-CZ2 3.87Å; P50-W86 HydrophobicContact CB-CZ3 4.3Å; P50-W86 HydrophobicContact CG-CH2 4.36Å; P50-W86 HydrophobicContact CG-CZ2 4.32Å
51	F	96.6	Very high	96.8	Very high	123 Å²	123	69.8 Å²	69.8	54%	0.539	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	13.6	-177.8	-46.2	-80.4	0	0	0	114.6	G85	F51-G85 VanDerWaalsContact CE1-CA 3.41Å; F51-G85 PolarHBondContact N-O 3.03Å
52	S	96.8	Very high	96.8	Very high	56 Å²	56	69.9 Å²	69.9	39%	0.392	36%	0.36	S	S	.	.			trans	-83.1	-36.6	-179.5	66.1	0	0	0	0	113.2	R49 P50	R49-S52 WeakPolarHBondContact O-CB 3.22Å; R49-S52 PolarHBondContact O-N 2.89Å; R49-S52 PolarHBondContact O-OG 2.72Å; P50-S52 PolarHBondContact O-N 2.76Å; P50-S52 VanDerWaalsContact O-N 3.16Å
53	S	96.2	Very high	96.8	Very high	12 Å²	12	71.3 Å²	71.3	8%	0.084	37%	0.368	C	S	.	.	S	Bend	trans	-77.1	131.6	-180	-176.6	0	0	0	0	111.4	E48 L55 C56 G141	E48-S53 VanDerWaalsContact OE1-CB 3.26Å; E48-S53 WeakPolarHBondContact OE1-CB 3.28Å; S53-L55 PolarHBondContact O-N 3.33Å; S53-L55 VanDerWaalsContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.3Å; S53-C56 VanDerWaalsContact O-CB 3.29Å; S53-C56 WeakPolarHBondContact O-CB 3.42Å; S53-C56 PolarHBondContact O-N 2.87Å; S53-G141 WeakPolarHBondContact OG-CA 3.09Å
54	P	95.4	Very high	96.8	Very high	114 Å²	114	67.6 Å²	67.6	74%	0.74	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.6	168.8	-24.4	34.1	0	0	0	113	C56 F58	P54-C56 PolarHBondContact O-N 2.96Å; P54-F58 VanDerWaalsContact O-CB 3.31Å; P54-F58 WeakPolarHBondContact O-CB 3.38Å
55	L	97.2	Very high	96.9	Very high	25 Å²	25	63.5 Å²	63.5	13%	0.131	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.4	-180	-62.6	-175.3	0	0	0	113.5	S53 F58 Y64 K79 P87 M144 F146	S53-L55 PolarHBondContact O-N 3.33Å; S53-L55 VanDerWaalsContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.3Å; L55-F58 HydrophobicContact CD2-CB 4.42Å; L55-F58 HydrophobicContact CD2-CD1 4.01Å; L55-F58 HydrophobicContact CD2-CG 4.29Å; L55-Y64 HydrophobicContact CD1-CD1 4.23Å; L55-Y64 HydrophobicContact CD1-CE1 4.29Å; L55-Y64 HydrophobicContact CD2-CE1 4.22Å; L55-K79 WeakPolarHBondContact O-CE 3.19Å; L55-K79 PolarHBondContact O-NZ 3.1Å; L55-P87 HydrophobicContact CB-CG 4Å; L55-M144 HydrophobicContact CD1-CB 4.24Å; L55-F146 HydrophobicContact CD2-CB 4.13Å
56	C	95.2	Very high	97.1	Very high	9 Å²	9	60.3 Å²	60.3	6%	0.061	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-55	179.2	-174.8	0	0	0	0	110.6	S53 P54 Y59 K79 G85	S53-C56 VanDerWaalsContact O-CB 3.29Å; S53-C56 WeakPolarHBondContact O-CB 3.42Å; S53-C56 PolarHBondContact O-N 2.87Å; P54-C56 PolarHBondContact O-N 2.96Å; C56-Y59 PolarHBondContact O-OH 2.61Å; C56-K79 PolarHBondContact O-NZ 3.25Å; C56-G85 VanDerWaalsContact SG-C 3.53Å
57	D	94.8	Very high	97.1	Very high	96 Å²	96	59.1 Å²	59.1	51%	0.513	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	32.8	180	-67	-45.1	0	0	0	113.5	Y59 H81	D57-Y59 HydrophobicContact CB-CE2 4.4Å; D57-H81 IonicContact OD1-CE1 2.75Å; D57-H81 IonicContact OD1-ND1 2.72Å; D57-H81 PolarHBondContact OD1-ND1 2.92Å
58	F	97.1	Very high	97.1	Very high	62 Å²	62	55.9 Å²	55.9	27%	0.272	28%	0.28	S	S	.	.			trans	-106.6	127.7	174.9	-177.3	-95.1	0	0	0	110.8	P54 L55 E60 Y64 K79 F146	P54-F58 VanDerWaalsContact O-CB 3.31Å; P54-F58 WeakPolarHBondContact O-CB 3.38Å; L55-F58 HydrophobicContact CD2-CB 4.42Å; L55-F58 HydrophobicContact CD2-CD1 4.01Å; L55-F58 HydrophobicContact CD2-CG 4.29Å; F58-E60 HydrophobicContact CD1-CB 4.46Å; F58-E60 HydrophobicContact CD2-CG 4.26Å; F58-E60 HydrophobicContact CE1-CB 3.62Å; F58-E60 HydrophobicContact CE1-CG 3.9Å; F58-E60 HydrophobicContact CE2-CB 4.17Å; F58-E60 HydrophobicContact CE2-CG 3.49Å; F58-E60 VanDerWaalsContact CE2-CG 3.49Å; F58-E60 HydrophobicContact CZ-CB 3.46Å; F58-E60 VanDerWaalsContact CZ-CB 3.46Å; F58-E60 HydrophobicContact CZ-CG 3.29Å; F58-Y64 PolarHBondContact O-OH 2.86Å; F58-K79 WeakPolarHBondContact O-CD 3.28Å; F58-K79 WeakPolarHBondContact O-CE 3.42Å; F58-K79 PolarHBondContact O-NZ 3.08Å; F58-F146 HydrophobicContact CD1-CD2 4.48Å; F58-F146 HydrophobicContact CD1-CG 4.48Å; F58-F146 HydrophobicContact CE1-CB 4.38Å; F58-F146 AromaticContact CE1-CD1 3.48Å; F58-F146 HydrophobicContact CE1-CD1 3.48Å; F58-F146 VanDerWaalsContact CE1-CD1 3.48Å; F58-F146 AromaticContact CE1-CD2 3.79Å; F58-F146 HydrophobicContact CE1-CD2 3.79Å; F58-F146 AromaticContact CE1-CE1 3.5Å; F58-F146 HydrophobicContact CE1-CE1 3.5Å; F58-F146 AromaticContact CE1-CE2 3.81Å; F58-F146 HydrophobicContact CE1-CE2 3.81Å; F58-F146 AromaticContact CE1-CG 3.6Å; F58-F146 HydrophobicContact CE1-CG 3.6Å; F58-F146 AromaticContact CE1-CZ 3.66Å; F58-F146 HydrophobicContact CE1-CZ 3.66Å; F58-F146 AromaticContact CZ-CD1 3.7Å; F58-F146 HydrophobicContact CZ-CD1 3.7Å; F58-F146 AromaticContact CZ-CE1 3.64Å; F58-F146 HydrophobicContact CZ-CE1 3.64Å; F58-F146 HydrophobicContact CZ-CG 4.27Å; F58-F146 HydrophobicContact CZ-CZ 4.18Å
59	Y	97	Very high	97	Very high	101 Å²	101	56.7 Å²	56.7	40%	0.396	29%	0.286	S	S	.	.			trans	-134	31.7	-171.7	-62.1	-85.6	0	0	0	113.7	C56 D57 K79 H81	C56-Y59 PolarHBondContact O-OH 2.61Å; D57-Y59 HydrophobicContact CB-CE2 4.4Å; Y59-K79 HydrophobicContact CD1-CD 4.27Å; Y59-K79 HydrophobicContact CD1-CG 4.26Å; Y59-K79 HydrophobicContact CE1-CD 4.36Å; Y59-K79 HydrophobicContact CE1-CG 4.12Å; Y59-K79 VanDerWaalsContact CE1-NZ 3.28Å; Y59-H81 WeakPolarHBondContact OH-CA 3.48Å; Y59-H81 WeakPolarHBondContact OH-CB 3.47Å; Y59-H81 PolarHBondContact OH-ND1 2.87Å
60	E	97.5	Very high	97	Very high	117 Å²	117	48.6 Å²	48.6	55%	0.547	27%	0.266	S	S	.	.			trans	-73.2	155.7	177.2	-64.4	-62	144.1	0	0	112.9	F58 G62 S76 F146	F58-E60 HydrophobicContact CD1-CB 4.46Å; F58-E60 HydrophobicContact CD2-CG 4.26Å; F58-E60 HydrophobicContact CE1-CB 3.62Å; F58-E60 HydrophobicContact CE1-CG 3.9Å; F58-E60 HydrophobicContact CE2-CB 4.17Å; F58-E60 HydrophobicContact CE2-CG 3.49Å; F58-E60 VanDerWaalsContact CE2-CG 3.49Å; F58-E60 HydrophobicContact CZ-CB 3.46Å; F58-E60 VanDerWaalsContact CZ-CB 3.46Å; F58-E60 HydrophobicContact CZ-CG 3.29Å; E60-G62 PolarHBondContact O-N 3.33Å; E60-S76 WeakPolarHBondContact O-CB 3.49Å; E60-S76 PolarHBondContact O-OG 2.95Å; E60-F146 HydrophobicContact CB-CE1 4.02Å; E60-F146 HydrophobicContact CB-CZ 3.74Å
61	E	97.8	Very high	97	Very high	121 Å²	121	46.4 Å²	46.4	57%	0.565	25%	0.252	S	S	*	.	S	Bend	trans	-69.7	120.6	176.3	-72	-162.5	-173.5	0	0	112.1	K149	E61-K149 HydrophobicContact CB-CB 4.23Å; E61-K149 HydrophobicContact CB-CD 4.24Å; E61-K149 WeakPolarHBondContact O-CB 3.29Å; E61-K149 PolarHBondContact O-N 3.41Å; E61-K149 VanDerWaalsContact OE2-CD 3.28Å; E61-K149 WeakPolarHBondContact OE2-CD 3.28Å; E61-K149 IonicContact OE2-NZ 3.22Å; E61-K149 PolarHBondContact OE2-NZ 3.28Å
62	G	98.1	Very high	97.1	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-158.8	179.7	0	0	0	0	0	114.1	E60 S76 I147	E60-G62 PolarHBondContact O-N 3.33Å; G62-S76 PolarHBondContact N-OG 3.2Å; G62-S76 WeakPolarHBondContact O-CB 3.39Å; G62-S76 PolarHBondContact O-N 3.23Å; G62-S76 PolarHBondContact O-OG 2.8Å; G62-I147 CarbonylContact C-O 3.49Å; G62-I147 VanDerWaalsContact CA-O 3.26Å; G62-I147 WeakPolarHBondContact CA-O 3.36Å
63	T	98.4	Very high	97.2	Very high	31 Å²	31	40 Å²	40	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.8	178.2	50	0	0	0	0	110.6	I72 F74 F93 I147	T63-I72 HydrophobicContact CG2-CG2 4.1Å; T63-F74 CarbonylContact C-O 3.6Å; T63-F74 WeakPolarHBondContact CA-O 3.37Å; T63-F93 HydrophobicContact CG2-CD2 4.24Å; T63-F93 HydrophobicContact CG2-CE2 3.96Å; T63-I147 PolarHBondContact N-O 2.91Å; T63-I147 PolarHBondContact O-N 3.33Å
64	Y	98.7	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.3	177.5	-60.7	-100.1	0	0	0	108.5	L55 F58 L73 F74 K79 F89 M144 D145 F146	L55-Y64 HydrophobicContact CD1-CD1 4.23Å; L55-Y64 HydrophobicContact CD1-CE1 4.29Å; L55-Y64 HydrophobicContact CD2-CE1 4.22Å; F58-Y64 PolarHBondContact O-OH 2.86Å; Y64-L73 PolarHBondContact O-N 2.85Å; Y64-F74 HydrophobicContact CD2-CB 4.41Å; Y64-F74 PolarHBondContact N-O 3.37Å; Y64-F74 PolarHBondContact O-N 2.91Å; Y64-K79 HydrophobicContact CE2-CD 4.12Å; Y64-K79 WeakPolarHBondContact OH-CD 3.33Å; Y64-F89 HydrophobicContact CD1-CZ 4.03Å; Y64-F89 AromaticContact CD2-CE1 3.48Å; Y64-F89 HydrophobicContact CD2-CE1 3.48Å; Y64-F89 VanDerWaalsContact CD2-CE1 3.48Å; Y64-F89 AromaticContact CD2-CZ 3.65Å; Y64-F89 HydrophobicContact CD2-CZ 3.65Å; Y64-F89 HydrophobicContact CE1-CZ 4.2Å; Y64-F89 AromaticContact CE2-CE1 3.56Å; Y64-F89 HydrophobicContact CE2-CE1 3.56Å; Y64-F89 AromaticContact CE2-CZ 3.86Å; Y64-F89 HydrophobicContact CE2-CZ 3.86Å; Y64-F89 HydrophobicContact CG-CE1 4.09Å; Y64-F89 AromaticContact CG-CZ 3.76Å; Y64-F89 HydrophobicContact CG-CZ 3.76Å; Y64-M144 HydrophobicContact CD1-CE 4.31Å; Y64-M144 HydrophobicContact CD1-SD 4.29Å; Y64-M144 HydrophobicContact CG-SD 4.31Å; Y64-D145 CarbonylContact C-O 2.97Å; Y64-D145 WeakPolarHBondContact CA-O 3.32Å; Y64-F146 HydrophobicContact CD1-CB 4.47Å; Y64-F146 HydrophobicContact CD1-CD2 4.12Å; Y64-F146 HydrophobicContact CD2-CD2 4.36Å; Y64-F146 HydrophobicContact CE1-CB 4.41Å; Y64-F146 AromaticContact CE1-CD2 3.75Å; Y64-F146 HydrophobicContact CE1-CD2 3.75Å; Y64-F146 HydrophobicContact CE1-CG 4.49Å; Y64-F146 AromaticContact CE2-CD2 3.98Å; Y64-F146 HydrophobicContact CE2-CD2 3.98Å; Y64-F146 HydrophobicContact CE2-CE2 4.13Å; Y64-F146 HydrophobicContact CG-CD2 4.41Å; Y64-F146 AromaticContact CZ-CD2 3.66Å
65	A	98.4	Very high	97.4	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.1	-177.6	0	0	0	0	0	110.5	V67 T71 I72 M144 D145 I147	A65-V67 PolarHBondContact O-N 3.28Å; A65-T71 CarbonylContact C-O 3.48Å; A65-T71 VanDerWaalsContact CA-O 3.29Å; A65-T71 WeakPolarHBondContact CA-O 2.94Å; A65-I72 HydrophobicContact CB-CD1 3.92Å; A65-M144 CarbonylContact O-C 3.56Å; A65-M144 WeakPolarHBondContact O-CA 3.43Å; A65-D145 PolarHBondContact N-O 3.48Å; A65-D145 PolarHBondContact O-N 3.21Å; A65-I147 HydrophobicContact CB-CD1 3.76Å; A65-I147 HydrophobicContact CB-CG1 4.38Å
66	C	98.4	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	122.9	172.4	179.8	0	0	0	0	109.8	C68 C69 G70 T71 L73 C115 C118	C66-C68 PolarHBondContact O-N 3.19Å; C66-C68 VanDerWaalsContact O-N 3.1Å; C66-C69 PolarHBondContact O-N 2.82Å; C66-G70 WeakPolarHBondContact O-CA 3.47Å; C66-G70 PolarHBondContact O-N 3.26Å; C66-T71 PolarHBondContact N-O 3.09Å; C66-L73 HydrophobicContact CB-CD1 3.78Å; C66-L73 HydrophobicContact CB-CD2 4.34Å; C66-L73 HydrophobicContact CB-CG 4.1Å; C66-C115 HydrophobicContact CB-CB 4.39Å; C66-C118 VanDerWaalsContact SG-SG 3.68Å
67	V	97.7	Very high	97.6	Very high	9 Å²	9	43 Å²	43	6%	0.055	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.5	179.9	72.2	0	0	0	0	113.1	L34 Q38 T42 A65 A143	L34-V67 HydrophobicContact CD2-CG1 4.38Å; Q38-V67 HydrophobicContact CG-CG1 4.46Å; Q38-V67 HydrophobicContact CG-CG2 4.29Å; Q38-V67 VanDerWaalsContact NE2-CG2 3.35Å; T42-V67 HydrophobicContact CG2-CG1 3.91Å; A65-V67 PolarHBondContact O-N 3.28Å; V67-A143 WeakPolarHBondContact CG1-O 3.39Å; V67-A143 PolarHBondContact N-O 2.88Å; V67-A143 VanDerWaalsContact N-O 3.08Å
68	C	96.7	Very high	97.7	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.074	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-40.8	-178.9	-64.2	0	0	0	0	113.7	W30 T42 C66 A120	W30-C68 HydrophobicContact CH2-CB 3.64Å; W30-C68 WeakPolarHBondContact CH2-O 3.2Å; W30-C68 HydrophobicContact CZ3-CB 3.66Å; W30-C68 WeakPolarHBondContact CZ3-O 3.46Å; T42-C68 PolarHBondContact OG1-SG 2.95Å; T42-C68 VanDerWaalsContact OG1-SG 3.39Å; C66-C68 PolarHBondContact O-N 3.19Å; C66-C68 VanDerWaalsContact O-N 3.1Å; C68-A120 HydrophobicContact CB-CB 4.28Å
69	C	95.9	Very high	97.8	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.149	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	0.8	-168.1	71.7	0	0	0	0	114.9	V22 C66 T71 C118	V22-C69 HydrophobicContact CB-CB 4.4Å; V22-C69 HydrophobicContact CG1-CB 4.02Å; V22-C69 HydrophobicContact CG2-CB 3.7Å; C66-C69 PolarHBondContact O-N 2.82Å; C69-T71 PolarHBondContact O-N 3.21Å; C69-T71 PolarHBondContact SG-OG1 2.97Å; C69-C118 HydrophobicContact CB-CB 3.92Å
70	G	96.1	Very high	97.8	Very high	35 Å²	35	33.9 Å²	33.9	36%	0.361	18%	0.18	S	C	.	.			trans	68.3	11.3	179.4	0	0	0	0	0	115.1	C66 I72	C66-G70 WeakPolarHBondContact O-CA 3.47Å; C66-G70 PolarHBondContact O-N 3.26Å; G70-I72 PolarHBondContact O-N 2.97Å
71	T	97.5	Very high	97.8	Very high	21 Å²	21	34 Å²	34	13%	0.129	18%	0.18	C	C	.	.			trans	-64.8	129	173.3	-65	0	0	0	0	109.5	A65 C66 C69 L73 N97 T117	A65-T71 CarbonylContact C-O 3.48Å; A65-T71 VanDerWaalsContact CA-O 3.29Å; A65-T71 WeakPolarHBondContact CA-O 2.94Å; C66-T71 PolarHBondContact N-O 3.09Å; C69-T71 PolarHBondContact O-N 3.21Å; C69-T71 PolarHBondContact SG-OG1 2.97Å; T71-L73 PolarHBondContact O-N 2.89Å; T71-N97 HydrophobicContact CG2-CB 3.81Å; T71-T117 WeakPolarHBondContact OG1-CB 3.37Å; T71-T117 PolarHBondContact OG1-OG1 3.48Å
72	I	98.3	Very high	97.6	Very high	43 Å²	43	30.1 Å²	30.1	22%	0.221	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122	177.3	-55	-55.3	0	0	0	109.8	T63 A65 G70 F93 N97 I147	T63-I72 HydrophobicContact CG2-CG2 4.1Å; A65-I72 HydrophobicContact CB-CD1 3.92Å; G70-I72 PolarHBondContact O-N 2.97Å; I72-F93 HydrophobicContact CB-CD1 4.3Å; I72-F93 HydrophobicContact CB-CG 4.42Å; I72-F93 HydrophobicContact CG2-CB 3.95Å; I72-F93 HydrophobicContact CG2-CD1 3.83Å; I72-F93 HydrophobicContact CG2-CD2 3.62Å; I72-F93 HydrophobicContact CG2-CE1 4.23Å; I72-F93 HydrophobicContact CG2-CE2 4.05Å; I72-F93 HydrophobicContact CG2-CG 3.51Å; I72-F93 HydrophobicContact CG2-CZ 4.34Å; I72-N97 PolarHBondContact O-ND2 2.98Å; I72-I147 HydrophobicContact CD1-CD1 3.78Å
73	L	98.6	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-46.4	-175.4	-61.7	173.4	0	0	0	112	Y64 C66 T71 F93 I98 C115 L122 M144	Y64-L73 PolarHBondContact O-N 2.85Å; C66-L73 HydrophobicContact CB-CD1 3.78Å; C66-L73 HydrophobicContact CB-CD2 4.34Å; C66-L73 HydrophobicContact CB-CG 4.1Å; T71-L73 PolarHBondContact O-N 2.89Å; L73-F93 WeakPolarHBondContact O-CB 3.13Å; L73-F93 PolarHBondContact O-N 2.58Å; L73-I98 HydrophobicContact CD2-CG2 4.06Å; L73-C115 HydrophobicContact CD2-CB 4.42Å; L73-L122 HydrophobicContact CD1-CD1 3.66Å; L73-L122 HydrophobicContact CD1-CD2 3.61Å; L73-L122 HydrophobicContact CD1-CG 4.28Å; L73-L122 HydrophobicContact CD2-CD1 3.73Å; L73-L122 HydrophobicContact CG-CD1 4.28Å; L73-M144 HydrophobicContact CD1-CG 4.22Å
74	F	98.7	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.2	-173.2	-58.1	-79.7	0	0	0	112.2	T63 Y64 F89 E91 A92 Y137 I139 M144	T63-F74 CarbonylContact C-O 3.6Å; T63-F74 WeakPolarHBondContact CA-O 3.37Å; Y64-F74 HydrophobicContact CD2-CB 4.41Å; Y64-F74 PolarHBondContact N-O 3.37Å; Y64-F74 PolarHBondContact O-N 2.91Å; F74-F89 HydrophobicContact CB-CB 4.43Å; F74-F89 HydrophobicContact CB-CD1 3.51Å; F74-F89 HydrophobicContact CB-CD2 4.08Å; F74-F89 HydrophobicContact CB-CE1 3.6Å; F74-F89 HydrophobicContact CB-CE2 4.19Å; F74-F89 HydrophobicContact CB-CG 3.75Å; F74-F89 HydrophobicContact CB-CZ 3.95Å; F74-F89 HydrophobicContact CD1-CB 3.53Å; F74-F89 HydrophobicContact CD1-CD1 4.21Å; F74-F89 AromaticContact CD1-CD2 3.87Å; F74-F89 HydrophobicContact CD1-CD2 3.87Å; F74-F89 AromaticContact CD1-CG 3.61Å; F74-F89 HydrophobicContact CD1-CG 3.61Å; F74-F89 AromaticContact CD2-CD2 3.93Å; F74-F89 HydrophobicContact CD2-CD2 3.93Å; F74-F89 HydrophobicContact CD2-CE2 4Å; F74-F89 HydrophobicContact CD2-CG 4.37Å; F74-F89 HydrophobicContact CD2-CZ 4.48Å; F74-F89 HydrophobicContact CE1-CB 4.04Å; F74-F89 HydrophobicContact CE1-CD2 4.33Å; F74-F89 HydrophobicContact CE1-CG 4.35Å; F74-F89 HydrophobicContact CE2-CD2 4.38Å; F74-F89 HydrophobicContact CG-CB 4.1Å; F74-F89 AromaticContact CG-CD1 3.97Å; F74-F89 HydrophobicContact CG-CD1 3.97Å; F74-F89 AromaticContact CG-CD2 3.67Å; F74-F89 HydrophobicContact CG-CD2 3.67Å; F74-F89 HydrophobicContact CG-CE1 4.27Å; F74-F89 HydrophobicContact CG-CE2 4.02Å; F74-F89 AromaticContact CG-CG 3.64Å; F74-F89 HydrophobicContact CG-CG 3.64Å; F74-F89 HydrophobicContact CG-CZ 4.3Å; F74-E91 WeakPolarHBondContact CD1-O 3.26Å; F74-A92 HydrophobicContact CE1-CB 4.26Å; F74-Y137 HydrophobicContact CE1-CD1 4.03Å; F74-Y137 HydrophobicContact CE1-CD2 4.02Å; F74-Y137 AromaticContact CE1-CG 3.63Å; F74-Y137 HydrophobicContact CE1-CG 3.63Å; F74-Y137 HydrophobicContact CZ-CD1 4.13Å; F74-Y137 HydrophobicContact CZ-CG 4.06Å; F74-I139 HydrophobicContact CD2-CG1 4.45Å; F74-I139 HydrophobicContact CE2-CD1 3.86Å; F74-I139 HydrophobicContact CE2-CG1 3.62Å; F74-I139 HydrophobicContact CE2-CG2 4.36Å; F74-I139 HydrophobicContact CZ-CD1 3.73Å; F74-I139 HydrophobicContact CZ-CG1 3.75Å; F74-M144 HydrophobicContact CD2-SD 3.91Å; F74-M144 HydrophobicContact CE2-SD 4.38Å
75	S	98.2	Very high	97.1	Very high	19 Å²	19	32 Å²	32	13%	0.133	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.6	170.2	-177.9	0	0	0	0	110.5	K77 S78 K79	S75-K77 PolarHBondContact O-N 2.98Å; S75-K77 VanDerWaalsContact O-N 3.12Å; S75-K77 PolarHBondContact OG-N 2.96Å; S75-S78 PolarHBondContact O-N 3.47Å; S75-S78 PolarHBondContact O-OG 3.49Å; S75-K79 PolarHBondContact O-N 3.35Å
76	S	98	Very high	97.1	Very high	24 Å²	24	34.8 Å²	34.8	17%	0.168	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.8	-26.9	169.8	68.4	0	0	0	0	112.9	E60 G62 S78 K79	E60-S76 WeakPolarHBondContact O-CB 3.49Å; E60-S76 PolarHBondContact O-OG 2.95Å; G62-S76 PolarHBondContact N-OG 3.2Å; G62-S76 WeakPolarHBondContact O-CB 3.39Å; G62-S76 PolarHBondContact O-N 3.23Å; G62-S76 PolarHBondContact O-OG 2.8Å; S76-S78 PolarHBondContact O-N 2.95Å; S76-K79 WeakPolarHBondContact O-CB 3.49Å; S76-K79 PolarHBondContact O-N 3.29Å; S76-K79 VanDerWaalsContact O-N 3.09Å
77	K	97.5	Very high	97.1	Very high	182 Å²	182	34.8 Å²	34.8	79%	0.791	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-61.2	-28.6	175.4	-65.1	-177.5	178.2	-178.1	0	113.8	S75	S75-K77 PolarHBondContact O-N 2.98Å; S75-K77 VanDerWaalsContact O-N 3.12Å; S75-K77 PolarHBondContact OG-N 2.96Å
78	S	97.8	Very high	97.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.021	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-93.5	-9.1	178.3	66.2	0	0	0	0	112.8	S75 S76 F89 S90 E91	S75-S78 PolarHBondContact O-N 3.47Å; S75-S78 PolarHBondContact O-OG 3.49Å; S76-S78 PolarHBondContact O-N 2.95Å; S78-F89 CarbonylContact O-C 3.6Å; S78-F89 VanDerWaalsContact O-CA 3.27Å; S78-F89 WeakPolarHBondContact O-CA 3.3Å; S78-S90 PolarHBondContact O-N 3.05Å; S78-S90 PolarHBondContact O-OG 3.3Å; S78-E91 PolarHBondContact OG-O 2.87Å
79	K	98.4	Very high	97.3	Very high	19 Å²	19	33.9 Å²	33.9	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.5	-177.6	-166.7	170.8	-175.8	-76	0	110.1	L55 C56 F58 Y59 Y64 S75 S76 A88 F89	L55-K79 WeakPolarHBondContact O-CE 3.19Å; L55-K79 PolarHBondContact O-NZ 3.1Å; C56-K79 PolarHBondContact O-NZ 3.25Å; F58-K79 WeakPolarHBondContact O-CD 3.28Å; F58-K79 WeakPolarHBondContact O-CE 3.42Å; F58-K79 PolarHBondContact O-NZ 3.08Å; Y59-K79 HydrophobicContact CD1-CD 4.27Å; Y59-K79 HydrophobicContact CD1-CG 4.26Å; Y59-K79 HydrophobicContact CE1-CD 4.36Å; Y59-K79 HydrophobicContact CE1-CG 4.12Å; Y59-K79 VanDerWaalsContact CE1-NZ 3.28Å; Y64-K79 HydrophobicContact CE2-CD 4.12Å; Y64-K79 WeakPolarHBondContact OH-CD 3.33Å; S75-K79 PolarHBondContact O-N 3.35Å; S76-K79 WeakPolarHBondContact O-CB 3.49Å; S76-K79 PolarHBondContact O-N 3.29Å; S76-K79 VanDerWaalsContact O-N 3.09Å; K79-A88 WeakPolarHBondContact CA-O 3.48Å; K79-A88 WeakPolarHBondContact CG-O 3.35Å; K79-F89 HydrophobicContact CB-CD1 3.66Å; K79-F89 HydrophobicContact CB-CE1 3.6Å; K79-F89 HydrophobicContact CD-CE1 3.85Å; K79-F89 HydrophobicContact CD-CZ 4.09Å; K79-F89 HydrophobicContact CG-CD1 4.04Å; K79-F89 HydrophobicContact CG-CE1 3.74Å; K79-F89 HydrophobicContact CG-CZ 4.25Å
80	F	97.7	Very high	97.4	Very high	44 Å²	44	34 Å²	34	19%	0.193	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.1	175.6	67.8	-87.4	0	0	0	111.5	S82 A88 F89 P130 R136	F80-S82 PolarHBondContact O-N 2.96Å; F80-A88 HydrophobicContact CE1-CB 4.19Å; F80-A88 HydrophobicContact CE2-CB 4.17Å; F80-A88 HydrophobicContact CZ-CB 3.98Å; F80-A88 PolarHBondContact N-O 2.78Å; F80-F89 VanDerWaalsContact CE1-C 3.43Å; F80-P130 HydrophobicContact CD1-CG 3.94Å; F80-P130 HydrophobicContact CD2-CG 4.36Å; F80-P130 VanDerWaalsContact CE1-CD 3.47Å; F80-P130 HydrophobicContact CE1-CG 3.87Å; F80-P130 HydrophobicContact CE2-CG 4.32Å; F80-P130 HydrophobicContact CG-CG 4.18Å; F80-P130 HydrophobicContact CZ-CG 4.08Å; F80-R136 HydrophobicContact CE1-CG 4.42Å; F80-R136 HydrophobicContact CE2-CG 4.46Å; F80-R136 HydrophobicContact CZ-CB 3.95Å; F80-R136 HydrophobicContact CZ-CG 3.64Å
81	H	96.2	Very high	97.5	Very high	120 Å²	120	37.1 Å²	37.1	56%	0.556	20%	0.196	S	C	*	.			trans	-80.3	113.1	174.4	-174.4	74.2	0	0	0	109.7	D57 Y59	D57-H81 IonicContact OD1-CE1 2.75Å; D57-H81 IonicContact OD1-ND1 2.72Å; D57-H81 PolarHBondContact OD1-ND1 2.92Å; Y59-H81 WeakPolarHBondContact OH-CA 3.48Å; Y59-H81 WeakPolarHBondContact OH-CB 3.47Å; Y59-H81 PolarHBondContact OH-ND1 2.87Å
82	S	94.7	Very high	97.5	Very high	39 Å²	39	36.6 Å²	36.6	27%	0.273	19%	0.194	S	C	.	.			trans	-97.7	-14.3	178.8	61.1	0	0	0	0	113.6	F80 C84 A88	F80-S82 PolarHBondContact O-N 2.96Å; S82-C84 PolarHBondContact O-N 3.11Å; S82-C84 VanDerWaalsContact O-N 3.16Å; S82-C84 PolarHBondContact OG-N 3.16Å; S82-C84 PolarHBondContact OG-SG 3.42Å; S82-A88 WeakPolarHBondContact OG-CB 3.33Å
83	G	93.6	Very high	97.5	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	21%	0.207	S	C	.	.	S	Bend	trans	67.5	1.8	-171.6	0	0	0	0	0	115	G85	G83-G85 VanDerWaalsContact C-N 3.31Å; G83-G85 PolarHBondContact O-N 3.43Å
84	C	95	Very high	97.4	Very high	35 Å²	35	44 Å²	44	24%	0.236	23%	0.229	C	C	.	.	S	Bend	trans	-78.5	-12	-174.6	75.2	0	0	0	0	114.6	S82 W86	S82-C84 PolarHBondContact O-N 3.11Å; S82-C84 VanDerWaalsContact O-N 3.16Å; S82-C84 PolarHBondContact OG-N 3.16Å; S82-C84 PolarHBondContact OG-SG 3.42Å; C84-W86 HydrophobicContact CB-CE3 4.44Å; C84-W86 WeakPolarHBondContact O-CZ3 3.4Å
85	G	97	Very high	97.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	94.7	-0.4	-177.9	0	0	0	0	0	115.3	F51 C56 G83	F51-G85 VanDerWaalsContact CE1-CA 3.41Å; F51-G85 PolarHBondContact N-O 3.03Å; C56-G85 VanDerWaalsContact SG-C 3.53Å; G83-G85 VanDerWaalsContact C-N 3.31Å; G83-G85 PolarHBondContact O-N 3.43Å
86	W	98.5	Very high	97.1	Very high	62 Å²	62	49.4 Å²	49.4	24%	0.235	26%	0.261	C	S	.	.	S	Bend	trans	-128.4	153.8	173.4	-62.6	-84.7	0	0	0	110.8	T47 E48 P50 C84 A88	T47-W86 HydrophobicContact CG2-CZ2 3.95Å; E48-W86 PolarHBondContact O-NE1 3.13Å; P50-W86 HydrophobicContact CB-CH2 3.91Å; P50-W86 HydrophobicContact CB-CZ2 3.87Å; P50-W86 HydrophobicContact CB-CZ3 4.3Å; P50-W86 HydrophobicContact CG-CH2 4.36Å; P50-W86 HydrophobicContact CG-CZ2 4.32Å; C84-W86 HydrophobicContact CB-CE3 4.44Å; C84-W86 WeakPolarHBondContact O-CZ3 3.4Å; W86-A88 PolarHBondContact O-N 3.24Å
87	P	98.4	Very high	97.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.			trans	-45.4	131.3	167.2	-27.9	31.3	0	0	0	112.4	L55 F89 I139 M144	L55-P87 HydrophobicContact CB-CG 4Å; P87-F89 HydrophobicContact CB-CE2 3.92Å; P87-F89 HydrophobicContact CB-CZ 4.39Å; P87-I139 WeakPolarHBondContact CD-O 3.39Å; P87-I139 PolarHBondContact O-N 3.46Å; P87-M144 HydrophobicContact CB-CE 3.81Å; P87-M144 HydrophobicContact CG-CE 4.02Å
88	A	98.5	Very high	97.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.3	-178.9	0	0	0	0	0	111.8	K79 F80 S82 W86 R136 Y137	K79-A88 WeakPolarHBondContact CA-O 3.48Å; K79-A88 WeakPolarHBondContact CG-O 3.35Å; F80-A88 HydrophobicContact CE1-CB 4.19Å; F80-A88 HydrophobicContact CE2-CB 4.17Å; F80-A88 HydrophobicContact CZ-CB 3.98Å; F80-A88 PolarHBondContact N-O 2.78Å; S82-A88 WeakPolarHBondContact OG-CB 3.33Å; W86-A88 PolarHBondContact O-N 3.24Å; A88-R136 HydrophobicContact CB-CG 4.11Å; A88-Y137 CarbonylContact C-O 3.59Å; A88-Y137 VanDerWaalsContact CA-O 3.25Å; A88-Y137 WeakPolarHBondContact CA-O 3.49Å
89	F	98.7	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.8	179.7	-53.5	-92.8	0	0	0	111.1	Y64 F74 S78 K79 F80 P87 Y137 I139 M144	Y64-F89 HydrophobicContact CD1-CZ 4.03Å; Y64-F89 AromaticContact CD2-CE1 3.48Å; Y64-F89 HydrophobicContact CD2-CE1 3.48Å; Y64-F89 VanDerWaalsContact CD2-CE1 3.48Å; Y64-F89 AromaticContact CD2-CZ 3.65Å; Y64-F89 HydrophobicContact CD2-CZ 3.65Å; Y64-F89 HydrophobicContact CE1-CZ 4.2Å; Y64-F89 AromaticContact CE2-CE1 3.56Å; Y64-F89 HydrophobicContact CE2-CE1 3.56Å; Y64-F89 AromaticContact CE2-CZ 3.86Å; Y64-F89 HydrophobicContact CE2-CZ 3.86Å; Y64-F89 HydrophobicContact CG-CE1 4.09Å; Y64-F89 AromaticContact CG-CZ 3.76Å; Y64-F89 HydrophobicContact CG-CZ 3.76Å; F74-F89 HydrophobicContact CB-CB 4.43Å; F74-F89 HydrophobicContact CB-CD1 3.51Å; F74-F89 HydrophobicContact CB-CD2 4.08Å; F74-F89 HydrophobicContact CB-CE1 3.6Å; F74-F89 HydrophobicContact CB-CE2 4.19Å; F74-F89 HydrophobicContact CB-CG 3.75Å; F74-F89 HydrophobicContact CB-CZ 3.95Å; F74-F89 HydrophobicContact CD1-CB 3.53Å; F74-F89 HydrophobicContact CD1-CD1 4.21Å; F74-F89 AromaticContact CD1-CD2 3.87Å; F74-F89 HydrophobicContact CD1-CD2 3.87Å; F74-F89 AromaticContact CD1-CG 3.61Å; F74-F89 HydrophobicContact CD1-CG 3.61Å; F74-F89 AromaticContact CD2-CD2 3.93Å; F74-F89 HydrophobicContact CD2-CD2 3.93Å; F74-F89 HydrophobicContact CD2-CE2 4Å; F74-F89 HydrophobicContact CD2-CG 4.37Å; F74-F89 HydrophobicContact CD2-CZ 4.48Å; F74-F89 HydrophobicContact CE1-CB 4.04Å; F74-F89 HydrophobicContact CE1-CD2 4.33Å; F74-F89 HydrophobicContact CE1-CG 4.35Å; F74-F89 HydrophobicContact CE2-CD2 4.38Å; F74-F89 HydrophobicContact CG-CB 4.1Å; F74-F89 AromaticContact CG-CD1 3.97Å; F74-F89 HydrophobicContact CG-CD1 3.97Å; F74-F89 AromaticContact CG-CD2 3.67Å; F74-F89 HydrophobicContact CG-CD2 3.67Å; F74-F89 HydrophobicContact CG-CE1 4.27Å; F74-F89 HydrophobicContact CG-CE2 4.02Å; F74-F89 AromaticContact CG-CG 3.64Å; F74-F89 HydrophobicContact CG-CG 3.64Å; F74-F89 HydrophobicContact CG-CZ 4.3Å; S78-F89 CarbonylContact O-C 3.6Å; S78-F89 VanDerWaalsContact O-CA 3.27Å; S78-F89 WeakPolarHBondContact O-CA 3.3Å; K79-F89 HydrophobicContact CB-CD1 3.66Å; K79-F89 HydrophobicContact CB-CE1 3.6Å; K79-F89 HydrophobicContact CD-CE1 3.85Å; K79-F89 HydrophobicContact CD-CZ 4.09Å; K79-F89 HydrophobicContact CG-CD1 4.04Å; K79-F89 HydrophobicContact CG-CE1 3.74Å; K79-F89 HydrophobicContact CG-CZ 4.25Å; F80-F89 VanDerWaalsContact CE1-C 3.43Å; P87-F89 HydrophobicContact CB-CE2 3.92Å; P87-F89 HydrophobicContact CB-CZ 4.39Å; F89-Y137 PolarHBondContact N-O 3.29Å; F89-Y137 WeakPolarHBondContact O-CB 3.47Å; F89-Y137 PolarHBondContact O-N 3.32Å; F89-I139 HydrophobicContact CD2-CG1 4.18Å; F89-I139 HydrophobicContact CE2-CG1 4.44Å; F89-M144 HydrophobicContact CE2-CE 3.91Å; F89-M144 HydrophobicContact CE2-SD 4.03Å; F89-M144 HydrophobicContact CZ-CE 4.22Å; F89-M144 HydrophobicContact CZ-SD 4.29Å
90	S	98.1	Very high	97.2	Very high	25 Å²	25	48.6 Å²	48.6	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	-87.6	-16.6	-177.4	56.3	0	0	0	0	114.1	S78 T133 I135	S78-S90 PolarHBondContact O-N 3.05Å; S78-S90 PolarHBondContact O-OG 3.3Å; S90-T133 PolarHBondContact O-OG1 2.81Å; S90-I135 WeakPolarHBondContact CA-O 3.18Å
91	E	97.7	Very high	97.2	Very high	100 Å²	100	50 Å²	50	47%	0.467	26%	0.261	S	S	.	.	S	Bend	trans	-153.7	150.7	-178.9	57.7	179.8	-177.8	0	0	110.3	F74 S78	F74-E91 WeakPolarHBondContact CD1-O 3.26Å; S78-E91 PolarHBondContact OG-O 2.87Å
92	A	98	Very high	97.2	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	26%	0.263	C	S	.	.			trans	-76.1	154.4	168.3	0	0	0	0	0	110.4	F74 N94 I98	F74-A92 HydrophobicContact CE1-CB 4.26Å; A92-N94 VanDerWaalsContact C-N 3.26Å; A92-N94 PolarHBondContact O-N 3.21Å; A92-I98 HydrophobicContact CB-CD1 3.59Å; A92-I98 HydrophobicContact CB-CG1 4.04Å
93	F	97.7	Very high	97.3	Very high	110 Å²	110	47.9 Å²	47.9	48%	0.482	26%	0.256	S	S	.	.	S	Bend	trans	-59.7	-41	174.2	-173.8	-87.8	0	0	0	111.6	T63 I72 L73	T63-F93 HydrophobicContact CG2-CD2 4.24Å; T63-F93 HydrophobicContact CG2-CE2 3.96Å; I72-F93 HydrophobicContact CB-CD1 4.3Å; I72-F93 HydrophobicContact CB-CG 4.42Å; I72-F93 HydrophobicContact CG2-CB 3.95Å; I72-F93 HydrophobicContact CG2-CD1 3.83Å; I72-F93 HydrophobicContact CG2-CD2 3.62Å; I72-F93 HydrophobicContact CG2-CE1 4.23Å; I72-F93 HydrophobicContact CG2-CE2 4.05Å; I72-F93 HydrophobicContact CG2-CG 3.51Å; I72-F93 HydrophobicContact CG2-CZ 4.34Å; L73-F93 WeakPolarHBondContact O-CB 3.13Å; L73-F93 PolarHBondContact O-N 2.58Å
94	N	96.9	Very high	97.3	Very high	88 Å²	88	53.5 Å²	53.5	47%	0.471	27%	0.266	S	S	.	.			trans	-151	126.2	170.1	-175.2	-26	0	0	0	107.5	A92 G96 N97	A92-N94 VanDerWaalsContact C-N 3.26Å; A92-N94 PolarHBondContact O-N 3.21Å; N94-G96 PolarHBondContact O-N 3.22Å; N94-G96 VanDerWaalsContact O-N 3.09Å; N94-G96 PolarHBondContact OD1-N 3.32Å; N94-N97 WeakPolarHBondContact O-CB 3.19Å; N94-N97 PolarHBondContact O-N 2.91Å
95	E	94.8	Very high	97.1	Very high	100 Å²	100	54 Å²	54	47%	0.467	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-58.3	-23.6	177.2	-69.4	-70.6	137.4	0	0	112	N97 I98 K100 Y137	E95-N97 PolarHBondContact O-N 2.81Å; E95-I98 VanDerWaalsContact O-O 3.04Å; E95-K100 IonicContact OE1-NZ 3.7Å; E95-K100 IonicContact OE2-NZ 3.94Å; E95-K100 PolarHBondContact OE2-NZ 3.33Å; E95-Y137 PolarHBondContact OE1-OH 3.46Å; E95-Y137 PolarHBondContact OE2-OH 3.16Å
96	G	96.9	Very high	96.8	Very high	32 Å²	32	61 Å²	61	33%	0.33	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.2	173	0	0	0	0	0	115.4	N94 K116	N94-G96 PolarHBondContact O-N 3.22Å; N94-G96 VanDerWaalsContact O-N 3.09Å; N94-G96 PolarHBondContact OD1-N 3.32Å; G96-K116 VanDerWaalsContact O-CD 3.29Å; G96-K116 WeakPolarHBondContact O-CD 3.2Å
97	N	98	Very high	96.4	Very high	39 Å²	39	66.4 Å²	66.4	21%	0.209	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-96.1	-13.6	-179.9	-67.8	-3.4	0	0	0	113.2	T71 I72 N94 E95 K116	T71-N97 HydrophobicContact CG2-CB 3.81Å; I72-N97 PolarHBondContact O-ND2 2.98Å; N94-N97 WeakPolarHBondContact O-CB 3.19Å; N94-N97 PolarHBondContact O-N 2.91Å; E95-N97 PolarHBondContact O-N 2.81Å; N97-K116 WeakPolarHBondContact O-CB 3.35Å; N97-K116 PolarHBondContact O-N 2.85Å
98	I	98.2	Very high	96.1	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	158.4	178	57.5	162.8	0	0	0	110.6	L73 A92 E95 I113 V114 L122 Y137	L73-I98 HydrophobicContact CD2-CG2 4.06Å; A92-I98 HydrophobicContact CB-CD1 3.59Å; A92-I98 HydrophobicContact CB-CG1 4.04Å; E95-I98 VanDerWaalsContact O-O 3.04Å; I98-I113 HydrophobicContact CB-CG2 4.13Å; I98-I113 HydrophobicContact CD1-CG2 4.42Å; I98-I113 HydrophobicContact CG2-CG2 4.08Å; I98-V114 CarbonylContact C-O 3.37Å; I98-V114 WeakPolarHBondContact CA-O 3.42Å; I98-L122 HydrophobicContact CG2-CD1 4.28Å; I98-Y137 HydrophobicContact CD1-CD1 4.37Å; I98-Y137 HydrophobicContact CD1-CE1 3.47Å; I98-Y137 VanDerWaalsContact CD1-CE1 3.47Å
99	E	98.1	Very high	96	Very high	66 Å²	66	76.4 Å²	76.4	31%	0.308	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.7	171.8	-175.2	-168.1	151.8	0	0	108.5	R101 I113 V114 K116	E99-R101 VanDerWaalsContact CD-NE 3.32Å; E99-R101 HydrophobicContact CG-CG 4.4Å; E99-R101 IonicContact OE1-CZ 3.92Å; E99-R101 IonicContact OE1-NE 2.81Å; E99-R101 PolarHBondContact OE1-NE 3.2Å; E99-R101 IonicContact OE1-NH2 3.49Å; E99-R101 PolarHBondContact OE1-NH2 2.8Å; E99-R101 IonicContact OE2-CZ 3.42Å; E99-R101 IonicContact OE2-NE 3.23Å; E99-R101 IonicContact OE2-NH2 2.74Å; E99-R101 PolarHBondContact OE2-NH2 2.81Å; E99-I113 WeakPolarHBondContact O-CA 3.38Å; E99-V114 HydrophobicContact CB-CG2 3.75Å; E99-V114 HydrophobicContact CG-CG2 4.43Å; E99-V114 PolarHBondContact N-O 3.04Å; E99-V114 PolarHBondContact O-N 3.41Å; E99-K116 HydrophobicContact CB-CB 4.45Å
100	K	98.1	Very high	95.8	Very high	99 Å²	99	78.7 Å²	78.7	43%	0.43	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	178.6	-72.9	166.3	-179.8	157	0	108.3	E95 T111 E112 I113 Y137	E95-K100 IonicContact OE1-NZ 3.7Å; E95-K100 IonicContact OE2-NZ 3.94Å; E95-K100 PolarHBondContact OE2-NZ 3.33Å; K100-T111 HydrophobicContact CB-CG2 3.76Å; K100-T111 HydrophobicContact CG-CG2 4.1Å; K100-E112 CarbonylContact C-O 3.6Å; K100-E112 WeakPolarHBondContact CA-O 3.4Å; K100-I113 HydrophobicContact CB-CD1 4.41Å; K100-I113 HydrophobicContact CD-CD1 4.39Å; K100-I113 HydrophobicContact CG-CD1 3.43Å; K100-I113 VanDerWaalsContact CG-CD1 3.43Å; K100-Y137 WeakPolarHBondContact CE-OH 3.35Å; K100-Y137 PolarHBondContact NZ-OH 2.85Å
101	R	97.3	Very high	95.8	Very high	73 Å²	73	80.1 Å²	80.1	28%	0.275	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.4	178.9	-64.6	-178.5	178.8	165.3	4.8	110.5	E99 D103 T111 E112	E99-R101 VanDerWaalsContact CD-NE 3.32Å; E99-R101 HydrophobicContact CG-CG 4.4Å; E99-R101 IonicContact OE1-CZ 3.92Å; E99-R101 IonicContact OE1-NE 2.81Å; E99-R101 PolarHBondContact OE1-NE 3.2Å; E99-R101 IonicContact OE1-NH2 3.49Å; E99-R101 PolarHBondContact OE1-NH2 2.8Å; E99-R101 IonicContact OE2-CZ 3.42Å; E99-R101 IonicContact OE2-NE 3.23Å; E99-R101 IonicContact OE2-NH2 2.74Å; E99-R101 PolarHBondContact OE2-NH2 2.81Å; R101-D103 PolarHBondContact O-N 2.89Å; R101-T111 CarbonylContact O-C 3.52Å; R101-T111 WeakPolarHBondContact O-CA 3.15Å; R101-E112 HydrophobicContact CB-CB 4.39Å; R101-E112 PolarHBondContact N-O 2.83Å; R101-E112 PolarHBondContact O-N 3.45Å
102	P	97	Very high	95.9	Very high	91 Å²	91	76.7 Å²	76.7	59%	0.591	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.4	171.6	28.5	-33.3	0	0	0	109.7	Y104	P102-Y104 HydrophobicContact CB-CE2 3.78Å; P102-Y104 HydrophobicContact CG-CE2 4.39Å
103	D	96.6	Very high	95.9	Very high	24 Å²	24	76.1 Å²	76.1	13%	0.128	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.1	175.9	172.1	24.2	0	0	0	109.3	R101 S105 M108 R110 E112 H124	R101-D103 PolarHBondContact O-N 2.89Å; D103-S105 VanDerWaalsContact CG-OG 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.2Å; D103-S105 PolarHBondContact OD1-N 2.84Å; D103-S105 PolarHBondContact OD1-OG 3.41Å; D103-S105 PolarHBondContact OD2-OG 2.74Å; D103-S105 VanDerWaalsContact OD2-OG 3.12Å; D103-M108 VanDerWaalsContact O-O 3.13Å; D103-R110 HydrophobicContact CB-CB 4.32Å; D103-R110 PolarHBondContact N-O 3.43Å; D103-R110 PolarHBondContact O-N 2.79Å; D103-R110 IonicContact OD2-CZ 3.59Å; D103-R110 VanDerWaalsContact OD2-CZ 3.22Å; D103-R110 IonicContact OD2-NE 3.24Å; D103-R110 PolarHBondContact OD2-NE 3.33Å; D103-R110 VanDerWaalsContact OD2-NE 3.13Å; D103-R110 IonicContact OD2-NH2 2.87Å; D103-R110 PolarHBondContact OD2-NH2 3.17Å; D103-E112 HydrophobicContact CB-CB 4.14Å; D103-H124 IonicContact OD2-CD2 3.63Å; D103-H124 IonicContact OD2-CE1 2.85Å; D103-H124 IonicContact OD2-NE2 3.65Å; D103-H124 PolarHBondContact OD2-NE2 2.82Å
104	Y	95	Very high	95.9	Very high	160 Å²	160	71 Å²	71	63%	0.627	36%	0.364	S	S	*	.			trans	-110.4	11.1	-180	-57	-69.6	0	0	0	112.8	P102 M108 V109	P102-Y104 HydrophobicContact CB-CE2 3.78Å; P102-Y104 HydrophobicContact CG-CE2 4.39Å; Y104-M108 CarbonylContact C-O 3.5Å; Y104-M108 VanDerWaalsContact CA-O 3.24Å; Y104-M108 WeakPolarHBondContact CA-O 3.29Å; Y104-V109 HydrophobicContact CD1-CG2 4.22Å; Y104-V109 HydrophobicContact CE1-CG1 4.13Å; Y104-V109 HydrophobicContact CE1-CG2 4.29Å
105	S	90.1	Very high	96	Very high	44 Å²	44	66.8 Å²	66.8	31%	0.308	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-62.4	151.5	177.3	59.6	0	0	0	0	111.5	D103 D107 M108 R110	D103-S105 VanDerWaalsContact CG-OG 3.23Å; D103-S105 WeakPolarHBondContact OD1-CB 3.2Å; D103-S105 PolarHBondContact OD1-N 2.84Å; D103-S105 PolarHBondContact OD1-OG 3.41Å; D103-S105 PolarHBondContact OD2-OG 2.74Å; D103-S105 VanDerWaalsContact OD2-OG 3.12Å; S105-D107 PolarHBondContact O-N 2.95Å; S105-M108 PolarHBondContact O-N 2.95Å; S105-R110 PolarHBondContact OG-NH2 3.23Å
106	H	89.5	Confident	96.1	Very high	150 Å²	150	67.3 Å²	67.3	69%	0.694	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	56.5	31.9	177.6	-51.7	-69.2	0	0	0	114.5	M108	H106-M108 HydrophobicContact CB-CE 3.71Å; H106-M108 PolarHBondContact O-N 3.41Å; H106-M108 VanDerWaalsContact O-N 3.1Å
107	D	91.7	Very high	96	Very high	174 Å²	174	68.8 Å²	68.8	93%	0.93	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	57.4	23.8	-178.8	-55.6	-53	0	0	0	113.8	S105	S105-D107 PolarHBondContact O-N 2.95Å
108	M	92.4	Very high	95.9	Very high	83 Å²	83	66.9 Å²	66.9	41%	0.409	34%	0.335	S	S	.	.			trans	-108.4	148.9	177.5	-65.3	-173.1	-76.6	0	0	110.9	D103 Y104 S105 H106 R110	D103-M108 VanDerWaalsContact O-O 3.13Å; Y104-M108 CarbonylContact C-O 3.5Å; Y104-M108 VanDerWaalsContact CA-O 3.24Å; Y104-M108 WeakPolarHBondContact CA-O 3.29Å; S105-M108 PolarHBondContact O-N 2.95Å; H106-M108 HydrophobicContact CB-CE 3.71Å; H106-M108 PolarHBondContact O-N 3.41Å; H106-M108 VanDerWaalsContact O-N 3.1Å; M108-R110 HydrophobicContact CB-CG 3.99Å
109	V	94.5	Very high	95.8	Very high	128 Å²	128	70.6 Å²	70.6	78%	0.776	35%	0.352	S	S	*	.			trans	-100.4	106.9	169	-177.6	0	0	0	0	108.5	Y104	Y104-V109 HydrophobicContact CD1-CG2 4.22Å; Y104-V109 HydrophobicContact CE1-CG1 4.13Å; Y104-V109 HydrophobicContact CE1-CG2 4.29Å
110	R	96.2	Very high	95.8	Very high	49 Å²	49	67.5 Å²	67.5	19%	0.185	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	169.9	-179.5	-55.7	-175.9	-63.5	174.4	-2.4	110.6	D103 S105 M108	D103-R110 HydrophobicContact CB-CB 4.32Å; D103-R110 PolarHBondContact N-O 3.43Å; D103-R110 PolarHBondContact O-N 2.79Å; D103-R110 IonicContact OD2-CZ 3.59Å; D103-R110 VanDerWaalsContact OD2-CZ 3.22Å; D103-R110 IonicContact OD2-NE 3.24Å; D103-R110 PolarHBondContact OD2-NE 3.33Å; D103-R110 VanDerWaalsContact OD2-NE 3.13Å; D103-R110 IonicContact OD2-NH2 2.87Å; D103-R110 PolarHBondContact OD2-NH2 3.17Å; S105-R110 PolarHBondContact OG-NH2 3.23Å; M108-R110 HydrophobicContact CB-CG 3.99Å
111	T	98	Very high	95.8	Very high	54 Å²	54	62.9 Å²	62.9	33%	0.331	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	108.1	170.3	-59.3	0	0	0	0	108.5	K100 R101 H124 V125	K100-T111 HydrophobicContact CB-CG2 3.76Å; K100-T111 HydrophobicContact CG-CG2 4.1Å; R101-T111 CarbonylContact O-C 3.52Å; R101-T111 WeakPolarHBondContact O-CA 3.15Å; T111-H124 VanDerWaalsContact O-CA 3.28Å; T111-H124 WeakPolarHBondContact O-CA 3.29Å; T111-H124 WeakPolarHBondContact O-CB 3.45Å; T111-H124 PolarHBondContact O-CD2 3.06Å; T111-V125 HydrophobicContact CG2-CG1 3.58Å; T111-V125 PolarHBondContact O-N 3.37Å
112	E	98.4	Very high	95.9	Very high	28 Å²	28	59.4 Å²	59.4	13%	0.131	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.5	173.2	-177.6	-174.2	-146.7	0	0	109.9	S45 K100 R101 D103 V114 H121 G123	S45-E112 PolarHBondContact OG-OE1 2.78Å; K100-E112 CarbonylContact C-O 3.6Å; K100-E112 WeakPolarHBondContact CA-O 3.4Å; R101-E112 HydrophobicContact CB-CB 4.39Å; R101-E112 PolarHBondContact N-O 2.83Å; R101-E112 PolarHBondContact O-N 3.45Å; D103-E112 HydrophobicContact CB-CB 4.14Å; E112-V114 HydrophobicContact CG-CG1 3.86Å; E112-H121 IonicContact OE1-CE1 3.41Å; E112-H121 IonicContact OE1-CG 3.33Å; E112-H121 IonicContact OE1-ND1 2.79Å; E112-H121 PolarHBondContact OE1-ND1 3.16Å; E112-G123 WeakPolarHBondContact CA-O 3.23Å
113	I	98.5	Very high	95.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	171.1	-59.7	-60.8	0	0	0	108.3	I98 E99 K100 L122 G123 V125 Y137 I139	I98-I113 HydrophobicContact CB-CG2 4.13Å; I98-I113 HydrophobicContact CD1-CG2 4.42Å; I98-I113 HydrophobicContact CG2-CG2 4.08Å; E99-I113 WeakPolarHBondContact O-CA 3.38Å; K100-I113 HydrophobicContact CB-CD1 4.41Å; K100-I113 HydrophobicContact CD-CD1 4.39Å; K100-I113 HydrophobicContact CG-CD1 3.43Å; K100-I113 VanDerWaalsContact CG-CD1 3.43Å; I113-L122 HydrophobicContact CG2-CB 4.32Å; I113-L122 HydrophobicContact CG2-CD1 4.02Å; I113-L122 WeakPolarHBondContact O-CB 3.41Å; I113-L122 PolarHBondContact O-N 3.19Å; I113-G123 PolarHBondContact N-O 2.75Å; I113-G123 PolarHBondContact O-N 3.41Å; I113-V125 HydrophobicContact CD1-CB 3.8Å; I113-V125 HydrophobicContact CD1-CG1 3.65Å; I113-V125 HydrophobicContact CG1-CB 3.82Å; I113-V125 HydrophobicContact CG1-CG1 4.08Å; I113-Y137 HydrophobicContact CD1-CD1 4.16Å; I113-Y137 HydrophobicContact CD1-CE1 3.85Å; I113-Y137 HydrophobicContact CG1-CD1 3.99Å; I113-Y137 HydrophobicContact CG1-CE1 4.2Å; I113-I139 HydrophobicContact CG2-CD1 4.39Å
114	V	98.3	Very high	96	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.4	174.1	-52.2	0	0	0	0	111.1	I98 E99 E112 K116 A120	I98-V114 CarbonylContact C-O 3.37Å; I98-V114 WeakPolarHBondContact CA-O 3.42Å; E99-V114 HydrophobicContact CB-CG2 3.75Å; E99-V114 HydrophobicContact CG-CG2 4.43Å; E99-V114 PolarHBondContact N-O 3.04Å; E99-V114 PolarHBondContact O-N 3.41Å; E112-V114 HydrophobicContact CG-CG1 3.86Å; V114-K116 PolarHBondContact O-N 3.31Å; V114-A120 CarbonylContact C-O 3.54Å; V114-A120 WeakPolarHBondContact CA-O 3.25Å; V114-A120 WeakPolarHBondContact CB-O 3.48Å
115	C	98.1	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.8	169.9	177.5	0	0	0	0	109.4	C66 L73 T117 C118 H119 A120 L122	C66-C115 HydrophobicContact CB-CB 4.39Å; L73-C115 HydrophobicContact CD2-CB 4.42Å; C115-T117 PolarHBondContact O-N 3.09Å; C115-C118 VanDerWaalsContact SG-SG 3.61Å; C115-H119 WeakPolarHBondContact O-CA 3.29Å; C115-H119 PolarHBondContact O-N 3.37Å; C115-A120 HydrophobicContact CB-CB 4.13Å; C115-A120 PolarHBondContact N-O 3.09Å; C115-L122 HydrophobicContact CB-CD1 4.24Å; C115-L122 HydrophobicContact CB-CD2 4.42Å
116	K	96.4	Very high	96.5	Very high	111 Å²	111	49 Å²	49	48%	0.483	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.1	-177.2	-175.9	154.8	159	-164.4	0	113.7	G96 N97 E99 V114	G96-K116 VanDerWaalsContact O-CD 3.29Å; G96-K116 WeakPolarHBondContact O-CD 3.2Å; N97-K116 WeakPolarHBondContact O-CB 3.35Å; N97-K116 PolarHBondContact O-N 2.85Å; E99-K116 HydrophobicContact CB-CB 4.45Å; V114-K116 PolarHBondContact O-N 3.31Å
117	T	95.8	Very high	96.8	Very high	63 Å²	63	48.7 Å²	48.7	39%	0.387	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-42.3	-177.8	-50.9	0	0	0	0	112.9	V22 T71 C115	V22-T117 HydrophobicContact CG1-CG2 3.83Å; T71-T117 WeakPolarHBondContact OG1-CB 3.37Å; T71-T117 PolarHBondContact OG1-OG1 3.48Å; C115-T117 PolarHBondContact O-N 3.09Å
118	C	95.9	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-0.6	-172.6	67.2	0	0	0	0	114.3	V22 W30 R43 C66 C69 C115 A120	V22-C118 HydrophobicContact CG1-CB 3.97Å; V22-C118 HydrophobicContact CG2-CB 4.06Å; W30-C118 HydrophobicContact CZ2-CB 4.41Å; R43-C118 PolarHBondContact NH1-O 2.79Å; C66-C118 VanDerWaalsContact SG-SG 3.68Å; C69-C118 HydrophobicContact CB-CB 3.92Å; C115-C118 VanDerWaalsContact SG-SG 3.61Å; C118-A120 PolarHBondContact O-N 2.98Å; C118-A120 VanDerWaalsContact SG-CB 3.53Å
119	H	95.9	Very high	97.3	Very high	85 Å²	85	41.9 Å²	41.9	39%	0.394	22%	0.222	S	C	.	.			trans	59.6	23.6	-176.7	-45.3	137.8	0	0	0	114.4	C115 H121	C115-H119 WeakPolarHBondContact O-CA 3.29Å; C115-H119 PolarHBondContact O-N 3.37Å; H119-H121 PolarHBondContact O-N 2.76Å
120	A	98	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.			trans	-62.7	129.6	172.5	0	0	0	0	0	110.3	T42 C68 V114 C115 C118 L122	T42-A120 HydrophobicContact CG2-CB 4.35Å; T42-A120 CarbonylContact O-C 3.58Å; T42-A120 VanDerWaalsContact O-CA 3.29Å; T42-A120 WeakPolarHBondContact O-CA 3.33Å; C68-A120 HydrophobicContact CB-CB 4.28Å; V114-A120 CarbonylContact C-O 3.54Å; V114-A120 WeakPolarHBondContact CA-O 3.25Å; V114-A120 WeakPolarHBondContact CB-O 3.48Å; C115-A120 HydrophobicContact CB-CB 4.13Å; C115-A120 PolarHBondContact N-O 3.09Å; C118-A120 PolarHBondContact O-N 2.98Å; C118-A120 VanDerWaalsContact SG-CB 3.53Å; A120-L122 PolarHBondContact O-N 2.79Å
121	H	98.3	Very high	97.4	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.6	166.2	172	80	0	0	0	109.8	V41 T42 E112 H119 H124 N140	V41-H121 WeakPolarHBondContact O-CB 3.32Å; V41-H121 PolarHBondContact O-CD2 3.35Å; V41-H121 VanDerWaalsContact O-CD2 3.3Å; T42-H121 PolarHBondContact O-N 2.79Å; E112-H121 IonicContact OE1-CE1 3.41Å; E112-H121 IonicContact OE1-CG 3.33Å; E112-H121 IonicContact OE1-ND1 2.79Å; E112-H121 PolarHBondContact OE1-ND1 3.16Å; H119-H121 PolarHBondContact O-N 2.76Å; H121-H124 AromaticContact CE1-CE1 3.96Å; H121-N140 PolarHBondContact NE2-ND2 2.84Å
122	L	98.6	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-43.7	179.5	-55.9	175.8	0	0	0	110.9	L73 I98 I113 C115 A120 I139 N140 A143	L73-L122 HydrophobicContact CD1-CD1 3.66Å; L73-L122 HydrophobicContact CD1-CD2 3.61Å; L73-L122 HydrophobicContact CD1-CG 4.28Å; L73-L122 HydrophobicContact CD2-CD1 3.73Å; L73-L122 HydrophobicContact CG-CD1 4.28Å; I98-L122 HydrophobicContact CG2-CD1 4.28Å; I113-L122 HydrophobicContact CG2-CB 4.32Å; I113-L122 HydrophobicContact CG2-CD1 4.02Å; I113-L122 WeakPolarHBondContact O-CB 3.41Å; I113-L122 PolarHBondContact O-N 3.19Å; C115-L122 HydrophobicContact CB-CD1 4.24Å; C115-L122 HydrophobicContact CB-CD2 4.42Å; A120-L122 PolarHBondContact O-N 2.79Å; L122-I139 HydrophobicContact CB-CD1 4.15Å; L122-I139 HydrophobicContact CB-CG2 4.14Å; L122-I139 WeakPolarHBondContact O-CG2 3.37Å; L122-N140 PolarHBondContact O-N 2.81Å; L122-N140 PolarHBondContact O-ND2 2.92Å; L122-A143 HydrophobicContact CD2-CB 4.07Å
123	G	98.5	Very high	97	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-140.7	-178	0	0	0	0	0	110.5	E112 I113 C138	E112-G123 WeakPolarHBondContact CA-O 3.23Å; I113-G123 PolarHBondContact N-O 2.75Å; I113-G123 PolarHBondContact O-N 3.41Å; G123-C138 WeakPolarHBondContact CA-O 3.36Å
124	H	98.2	Very high	96.9	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.065	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.8	-176.9	-65.9	83.1	0	0	0	112	D103 T111 H121 F126 C138	D103-H124 IonicContact OD2-CD2 3.63Å; D103-H124 IonicContact OD2-CE1 2.85Å; D103-H124 IonicContact OD2-NE2 3.65Å; D103-H124 PolarHBondContact OD2-NE2 2.82Å; T111-H124 VanDerWaalsContact O-CA 3.28Å; T111-H124 WeakPolarHBondContact O-CA 3.29Å; T111-H124 WeakPolarHBondContact O-CB 3.45Å; T111-H124 PolarHBondContact O-CD2 3.06Å; H121-H124 AromaticContact CE1-CE1 3.96Å; H124-F126 HydrophobicContact CB-CD2 4.47Å; H124-F126 HydrophobicContact CB-CE2 3.62Å; H124-F126 HydrophobicContact CB-CZ 3.7Å; H124-C138 PolarHBondContact N-O 3.25Å; H124-C138 PolarHBondContact O-N 2.9Å
125	V	98.2	Very high	96.9	Very high	17 Å²	17	53.7 Å²	53.7	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139	172.5	64.5	0	0	0	0	110.8	T111 I113 I135 R136 Y137	T111-V125 HydrophobicContact CG2-CG1 3.58Å; T111-V125 PolarHBondContact O-N 3.37Å; I113-V125 HydrophobicContact CD1-CB 3.8Å; I113-V125 HydrophobicContact CD1-CG1 3.65Å; I113-V125 HydrophobicContact CG1-CB 3.82Å; I113-V125 HydrophobicContact CG1-CG1 4.08Å; V125-I135 HydrophobicContact CG2-CG2 3.39Å; V125-R136 WeakPolarHBondContact CA-O 3.31Å; V125-Y137 HydrophobicContact CB-CD1 4.09Å; V125-Y137 HydrophobicContact CB-CE1 4.13Å; V125-Y137 HydrophobicContact CG2-CD1 4.01Å; V125-Y137 HydrophobicContact CG2-CE1 3.88Å; V125-Y137 HydrophobicContact CG2-CG 4.43Å
126	F	97.7	Very high	96.9	Very high	66 Å²	66	55 Å²	55	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.1	-179.2	-58.2	-85.1	0	0	0	110.5	H124 D128 I135 R136 C138	H124-F126 HydrophobicContact CB-CD2 4.47Å; H124-F126 HydrophobicContact CB-CE2 3.62Å; H124-F126 HydrophobicContact CB-CZ 3.7Å; F126-D128 VanDerWaalsContact C-N 3.3Å; F126-D128 VanDerWaalsContact CB-OD1 3.23Å; F126-D128 WeakPolarHBondContact CB-OD1 3.5Å; F126-D128 PolarHBondContact O-N 2.79Å; F126-I135 WeakPolarHBondContact O-CA 3.39Å; F126-R136 PolarHBondContact N-O 2.88Å; F126-R136 PolarHBondContact O-N 3Å; F126-C138 HydrophobicContact CD2-CB 3.91Å; F126-C138 HydrophobicContact CE2-CB 3.73Å
127	N	96.3	Very high	97	Very high	145 Å²	145	49.9 Å²	49.9	78%	0.775	27%	0.273	S	S	*	.	S	Bend	trans	-95.8	32.3	179.6	-63.3	-31.4	0	0	0	112.4	G134 I135	N127-G134 CarbonylContact C-O 3.53Å; N127-G134 VanDerWaalsContact CA-O 3.29Å; N127-G134 WeakPolarHBondContact CA-O 3.27Å; N127-I135 WeakPolarHBondContact OD1-CD1 3.38Å
128	D	96.6	Very high	97.1	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	26%	0.259	S	S	.	.			trans	-119	20.3	-177.1	68.1	-9	0	0	0	112.4	F126 G134 R136	F126-D128 VanDerWaalsContact C-N 3.3Å; F126-D128 VanDerWaalsContact CB-OD1 3.23Å; F126-D128 WeakPolarHBondContact CB-OD1 3.5Å; F126-D128 PolarHBondContact O-N 2.79Å; D128-G134 PolarHBondContact N-O 2.81Å; D128-R136 WeakPolarHBondContact OD1-CB 3.43Å; D128-R136 IonicContact OD1-CZ 3.57Å; D128-R136 IonicContact OD1-NE 3.72Å; D128-R136 PolarHBondContact OD1-NE 3.33Å; D128-R136 IonicContact OD1-NH2 2.76Å; D128-R136 PolarHBondContact OD1-NH2 3.39Å; D128-R136 IonicContact OD2-CZ 2.71Å; D128-R136 IonicContact OD2-NE 3.66Å; D128-R136 PolarHBondContact OD2-NE 3.32Å; D128-R136 IonicContact OD2-NH2 3.13Å; D128-R136 PolarHBondContact OD2-NH2 3.19Å
129	G	96.4	Very high	97.3	Very high	18 Å²	18	47.6 Å²	47.6	19%	0.186	26%	0.26	C	S	.	.			trans	-81.3	178.6	-179.9	0	0	0	0	0	114.4	G134 I135	G129-G134 PolarHBondContact N-O 3.46Å; G129-G134 WeakPolarHBondContact O-CA 3.44Å; G129-I135 WeakPolarHBondContact CA-O 3.14Å
130	P	96.8	Very high	97.4	Very high	51 Å²	51	43.7 Å²	43.7	33%	0.331	24%	0.242	S	C	.	.			trans	-69	154.5	177.8	30.2	-35.7	0	0	0	111.6	F80 G134	F80-P130 HydrophobicContact CD1-CG 3.94Å; F80-P130 HydrophobicContact CD2-CG 4.36Å; F80-P130 VanDerWaalsContact CE1-CD 3.47Å; F80-P130 HydrophobicContact CE1-CG 3.87Å; F80-P130 HydrophobicContact CE2-CG 4.32Å; F80-P130 HydrophobicContact CG-CG 4.18Å; F80-P130 HydrophobicContact CZ-CG 4.08Å; P130-G134 WeakPolarHBondContact O-CA 3.15Å; P130-G134 PolarHBondContact O-N 2.8Å
131	K	95.8	Very high	97.4	Very high	198 Å²	198	43.8 Å²	43.8	86%	0.861	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	150.1	165.7	-73.1	-168.8	-179.9	-176.6	0	110.1
132	P	94.5	Very high	97.4	Very high	132 Å²	132	44.8 Å²	44.8	86%	0.857	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.6	-19.9	9	33.6	-35.8	0	0	0	115
133	T	94.6	Very high	97.4	Very high	65 Å²	65	44.8 Å²	44.8	40%	0.399	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-34.7	-173	63.4	0	0	0	0	112.1	S90 I135	S90-T133 PolarHBondContact O-OG1 2.81Å; T133-I135 PolarHBondContact O-N 3.41Å; T133-I135 PolarHBondContact OG1-N 3.18Å
134	G	96.9	Very high	97.4	Very high	22 Å²	22	45 Å²	45	23%	0.227	25%	0.249	C	C	.	.			trans	69.7	8.6	-169.5	0	0	0	0	0	112.8	N127 D128 G129 P130	N127-G134 CarbonylContact C-O 3.53Å; N127-G134 VanDerWaalsContact CA-O 3.29Å; N127-G134 WeakPolarHBondContact CA-O 3.27Å; D128-G134 PolarHBondContact N-O 2.81Å; G129-G134 PolarHBondContact N-O 3.46Å; G129-G134 WeakPolarHBondContact O-CA 3.44Å; P130-G134 WeakPolarHBondContact O-CA 3.15Å; P130-G134 PolarHBondContact O-N 2.8Å
135	I	97.9	Very high	97.4	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.205	26%	0.259	C	S	.	.			trans	-101.6	137.3	-174.9	-60.7	-57.4	0	0	0	110.1	S90 V125 F126 N127 G129 T133 Y137	S90-I135 WeakPolarHBondContact CA-O 3.18Å; V125-I135 HydrophobicContact CG2-CG2 3.39Å; F126-I135 WeakPolarHBondContact O-CA 3.39Å; N127-I135 WeakPolarHBondContact OD1-CD1 3.38Å; G129-I135 WeakPolarHBondContact CA-O 3.14Å; T133-I135 PolarHBondContact O-N 3.41Å; T133-I135 PolarHBondContact OG1-N 3.18Å; I135-Y137 HydrophobicContact CG2-CD2 3.84Å; I135-Y137 HydrophobicContact CG2-CE2 3.56Å
136	R	98.2	Very high	97.4	Very high	26 Å²	26	48 Å²	48	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.6	169.4	180	168.8	63	87.6	4.4	109.6	F80 A88 V125 F126 D128 C138	F80-R136 HydrophobicContact CE1-CG 4.42Å; F80-R136 HydrophobicContact CE2-CG 4.46Å; F80-R136 HydrophobicContact CZ-CB 3.95Å; F80-R136 HydrophobicContact CZ-CG 3.64Å; A88-R136 HydrophobicContact CB-CG 4.11Å; V125-R136 WeakPolarHBondContact CA-O 3.31Å; F126-R136 PolarHBondContact N-O 2.88Å; F126-R136 PolarHBondContact O-N 3Å; D128-R136 WeakPolarHBondContact OD1-CB 3.43Å; D128-R136 IonicContact OD1-CZ 3.57Å; D128-R136 IonicContact OD1-NE 3.72Å; D128-R136 PolarHBondContact OD1-NE 3.33Å; D128-R136 IonicContact OD1-NH2 2.76Å; D128-R136 PolarHBondContact OD1-NH2 3.39Å; D128-R136 IonicContact OD2-CZ 2.71Å; D128-R136 IonicContact OD2-NE 3.66Å; D128-R136 PolarHBondContact OD2-NE 3.32Å; D128-R136 IonicContact OD2-NH2 3.13Å; D128-R136 PolarHBondContact OD2-NH2 3.19Å; R136-C138 PolarHBondContact NH1-SG 3.09Å; R136-C138 VanDerWaalsContact NH1-SG 3.43Å; R136-C138 PolarHBondContact O-N 3.21Å
137	Y	98.6	Very high	97.4	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109	162.4	-67.5	-82.6	0	0	0	108	F74 A88 F89 E95 I98 K100 I113 V125 I135	F74-Y137 HydrophobicContact CE1-CD1 4.03Å; F74-Y137 HydrophobicContact CE1-CD2 4.02Å; F74-Y137 AromaticContact CE1-CG 3.63Å; F74-Y137 HydrophobicContact CE1-CG 3.63Å; F74-Y137 HydrophobicContact CZ-CD1 4.13Å; F74-Y137 HydrophobicContact CZ-CG 4.06Å; A88-Y137 CarbonylContact C-O 3.59Å; A88-Y137 VanDerWaalsContact CA-O 3.25Å; A88-Y137 WeakPolarHBondContact CA-O 3.49Å; F89-Y137 PolarHBondContact N-O 3.29Å; F89-Y137 WeakPolarHBondContact O-CB 3.47Å; F89-Y137 PolarHBondContact O-N 3.32Å; E95-Y137 PolarHBondContact OE1-OH 3.46Å; E95-Y137 PolarHBondContact OE2-OH 3.16Å; I98-Y137 HydrophobicContact CD1-CD1 4.37Å; I98-Y137 HydrophobicContact CD1-CE1 3.47Å; I98-Y137 VanDerWaalsContact CD1-CE1 3.47Å; K100-Y137 WeakPolarHBondContact CE-OH 3.35Å; K100-Y137 PolarHBondContact NZ-OH 2.85Å; I113-Y137 HydrophobicContact CD1-CD1 4.16Å; I113-Y137 HydrophobicContact CD1-CE1 3.85Å; I113-Y137 HydrophobicContact CG1-CD1 3.99Å; I113-Y137 HydrophobicContact CG1-CE1 4.2Å; V125-Y137 HydrophobicContact CB-CD1 4.09Å; V125-Y137 HydrophobicContact CB-CE1 4.13Å; V125-Y137 HydrophobicContact CG2-CD1 4.01Å; V125-Y137 HydrophobicContact CG2-CE1 3.88Å; V125-Y137 HydrophobicContact CG2-CG 4.43Å; I135-Y137 HydrophobicContact CG2-CD2 3.84Å; I135-Y137 HydrophobicContact CG2-CE2 3.56Å
138	C	98.3	Very high	97.5	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.095	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.4	177.8	-174.5	0	0	0	0	108.4	G123 H124 F126 R136	G123-C138 WeakPolarHBondContact CA-O 3.36Å; H124-C138 PolarHBondContact N-O 3.25Å; H124-C138 PolarHBondContact O-N 2.9Å; F126-C138 HydrophobicContact CD2-CB 3.91Å; F126-C138 HydrophobicContact CE2-CB 3.73Å; R136-C138 PolarHBondContact NH1-SG 3.09Å; R136-C138 VanDerWaalsContact NH1-SG 3.43Å; R136-C138 PolarHBondContact O-N 3.21Å
139	I	98.7	Very high	97.4	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.4	-161.9	-53.2	-63	0	0	0	109.6	F74 P87 F89 I113 L122 G141 M144	F74-I139 HydrophobicContact CD2-CG1 4.45Å; F74-I139 HydrophobicContact CE2-CD1 3.86Å; F74-I139 HydrophobicContact CE2-CG1 3.62Å; F74-I139 HydrophobicContact CE2-CG2 4.36Å; F74-I139 HydrophobicContact CZ-CD1 3.73Å; F74-I139 HydrophobicContact CZ-CG1 3.75Å; P87-I139 WeakPolarHBondContact CD-O 3.39Å; P87-I139 PolarHBondContact O-N 3.46Å; F89-I139 HydrophobicContact CD2-CG1 4.18Å; F89-I139 HydrophobicContact CE2-CG1 4.44Å; I113-I139 HydrophobicContact CG2-CD1 4.39Å; L122-I139 HydrophobicContact CB-CD1 4.15Å; L122-I139 HydrophobicContact CB-CG2 4.14Å; L122-I139 WeakPolarHBondContact O-CG2 3.37Å; I139-G141 PolarHBondContact O-N 3.12Å; I139-M144 HydrophobicContact CB-CE 4.05Å; I139-M144 HydrophobicContact CB-SD 4.33Å; I139-M144 HydrophobicContact CG2-CE 3.63Å; I139-M144 HydrophobicContact CG2-CG 4.05Å; I139-M144 HydrophobicContact CG2-SD 3.58Å; I139-M144 VanDerWaalsContact CG2-SD 3.58Å
140	N	98.7	Very high	96.8	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.291	C	S	.	.			trans	-60.6	124.7	170.8	-64.5	-85.5	0	0	0	109.3	V41 T47 E48 H121 L122 V142 A143	V41-N140 HydrophobicContact CG1-CB 3.62Å; T47-N140 WeakPolarHBondContact CA-OD1 3.34Å; E48-N140 HydrophobicContact CG-CB 4.24Å; E48-N140 PolarHBondContact N-OD1 3.39Å; H121-N140 PolarHBondContact NE2-ND2 2.84Å; L122-N140 PolarHBondContact O-N 2.81Å; L122-N140 PolarHBondContact O-ND2 2.92Å; N140-V142 VanDerWaalsContact C-N 3.31Å; N140-V142 HydrophobicContact CB-CG2 4.34Å; N140-V142 PolarHBondContact O-N 2.68Å; N140-A143 HydrophobicContact CB-CB 4.19Å; N140-A143 WeakPolarHBondContact O-CB 3.26Å; N140-A143 PolarHBondContact O-N 3.23Å; N140-A143 VanDerWaalsContact O-N 3.11Å
141	G	98.4	Very high	95.6	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.01	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-63.2	-36.5	178.4	0	0	0	0	0	112.7	E48 S53 I139 A143 M144	E48-G141 PolarHBondContact OE1-N 3.27Å; E48-G141 PolarHBondContact OE2-N 2.99Å; S53-G141 WeakPolarHBondContact OG-CA 3.09Å; I139-G141 PolarHBondContact O-N 3.12Å; G141-A143 PolarHBondContact O-N 3.05Å; G141-A143 VanDerWaalsContact O-N 3.16Å; G141-M144 PolarHBondContact O-N 2.97Å; G141-M144 VanDerWaalsContact O-O 3.13Å
142	V	97.9	Very high	94.3	Very high	24 Å²	24	57.8 Å²	57.8	15%	0.145	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-63.5	-17.2	175	-63.2	0	0	0	0	113.8	E37 Q38 V41 E48 N140 M144	E37-V142 HydrophobicContact CG-CB 4.47Å; E37-V142 HydrophobicContact CG-CG1 4.05Å; E37-V142 HydrophobicContact CG-CG2 4.26Å; Q38-V142 HydrophobicContact CG-CB 4.5Å; Q38-V142 WeakPolarHBondContact CG-O 3.3Å; V41-V142 HydrophobicContact CB-CG2 3.77Å; V41-V142 HydrophobicContact CG1-CG2 3.88Å; V41-V142 HydrophobicContact CG2-CG2 3.54Å; E48-V142 HydrophobicContact CB-CG2 4.19Å; E48-V142 VanDerWaalsContact OE2-CG1 3.3Å; E48-V142 WeakPolarHBondContact OE2-CG1 3.43Å; E48-V142 WeakPolarHBondContact OE2-CG2 3.46Å; E48-V142 PolarHBondContact OE2-N 3.49Å; N140-V142 VanDerWaalsContact C-N 3.31Å; N140-V142 HydrophobicContact CB-CG2 4.34Å; N140-V142 PolarHBondContact O-N 2.68Å; V142-M144 PolarHBondContact O-N 2.93Å
143	A	98.6	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-80.8	-1.9	175.1	0	0	0	0	0	113.1	V41 T42 V67 L122 N140 G141	V41-A143 HydrophobicContact CG1-CB 4.23Å; T42-A143 HydrophobicContact CG2-CB 3.86Å; V67-A143 WeakPolarHBondContact CG1-O 3.39Å; V67-A143 PolarHBondContact N-O 2.88Å; V67-A143 VanDerWaalsContact N-O 3.08Å; L122-A143 HydrophobicContact CD2-CB 4.07Å; N140-A143 HydrophobicContact CB-CB 4.19Å; N140-A143 WeakPolarHBondContact O-CB 3.26Å; N140-A143 PolarHBondContact O-N 3.23Å; N140-A143 VanDerWaalsContact O-N 3.11Å; G141-A143 PolarHBondContact O-N 3.05Å; G141-A143 VanDerWaalsContact O-N 3.16Å
144	M	98.5	Very high	90.9	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.2	-173.6	-61.4	-177.7	-65.6	0	0	113.4	L55 Y64 A65 L73 F74 P87 F89 I139 G141 V142	L55-M144 HydrophobicContact CD1-CB 4.24Å; Y64-M144 HydrophobicContact CD1-CE 4.31Å; Y64-M144 HydrophobicContact CD1-SD 4.29Å; Y64-M144 HydrophobicContact CG-SD 4.31Å; A65-M144 CarbonylContact O-C 3.56Å; A65-M144 WeakPolarHBondContact O-CA 3.43Å; L73-M144 HydrophobicContact CD1-CG 4.22Å; F74-M144 HydrophobicContact CD2-SD 3.91Å; F74-M144 HydrophobicContact CE2-SD 4.38Å; P87-M144 HydrophobicContact CB-CE 3.81Å; P87-M144 HydrophobicContact CG-CE 4.02Å; F89-M144 HydrophobicContact CE2-CE 3.91Å; F89-M144 HydrophobicContact CE2-SD 4.03Å; F89-M144 HydrophobicContact CZ-CE 4.22Å; F89-M144 HydrophobicContact CZ-SD 4.29Å; I139-M144 HydrophobicContact CB-CE 4.05Å; I139-M144 HydrophobicContact CB-SD 4.33Å; I139-M144 HydrophobicContact CG2-CE 3.63Å; I139-M144 HydrophobicContact CG2-CG 4.05Å; I139-M144 HydrophobicContact CG2-SD 3.58Å; I139-M144 VanDerWaalsContact CG2-SD 3.58Å; G141-M144 PolarHBondContact O-N 2.97Å; G141-M144 VanDerWaalsContact O-O 3.13Å; V142-M144 PolarHBondContact O-N 2.93Å
145	D	98	Very high	88.8	Confident	50 Å²	50	67.3 Å²	67.3	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.7	162	-72.1	-35.4	0	0	0	110.2	Y64 A65	Y64-D145 CarbonylContact C-O 2.97Å; Y64-D145 WeakPolarHBondContact CA-O 3.32Å; A65-D145 PolarHBondContact N-O 3.48Å; A65-D145 PolarHBondContact O-N 3.21Å
146	F	98.4	Very high	86.6	Confident	45 Å²	45	75 Å²	75	20%	0.197	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.1	173.9	178.7	-104.4	0	0	0	111.1	L55 F58 E60 Y64 P148	L55-F146 HydrophobicContact CD2-CB 4.13Å; F58-F146 HydrophobicContact CD1-CD2 4.48Å; F58-F146 HydrophobicContact CD1-CG 4.48Å; F58-F146 HydrophobicContact CE1-CB 4.38Å; F58-F146 AromaticContact CE1-CD1 3.48Å; F58-F146 HydrophobicContact CE1-CD1 3.48Å; F58-F146 VanDerWaalsContact CE1-CD1 3.48Å; F58-F146 AromaticContact CE1-CD2 3.79Å; F58-F146 HydrophobicContact CE1-CD2 3.79Å; F58-F146 AromaticContact CE1-CE1 3.5Å; F58-F146 HydrophobicContact CE1-CE1 3.5Å; F58-F146 AromaticContact CE1-CE2 3.81Å; F58-F146 HydrophobicContact CE1-CE2 3.81Å; F58-F146 AromaticContact CE1-CG 3.6Å; F58-F146 HydrophobicContact CE1-CG 3.6Å; F58-F146 AromaticContact CE1-CZ 3.66Å; F58-F146 HydrophobicContact CE1-CZ 3.66Å; F58-F146 AromaticContact CZ-CD1 3.7Å; F58-F146 HydrophobicContact CZ-CD1 3.7Å; F58-F146 AromaticContact CZ-CE1 3.64Å; F58-F146 HydrophobicContact CZ-CE1 3.64Å; F58-F146 HydrophobicContact CZ-CG 4.27Å; F58-F146 HydrophobicContact CZ-CZ 4.18Å; E60-F146 HydrophobicContact CB-CE1 4.02Å; E60-F146 HydrophobicContact CB-CZ 3.74Å; Y64-F146 HydrophobicContact CD1-CB 4.47Å; Y64-F146 HydrophobicContact CD1-CD2 4.12Å; Y64-F146 HydrophobicContact CD2-CD2 4.36Å; Y64-F146 HydrophobicContact CE1-CB 4.41Å; Y64-F146 AromaticContact CE1-CD2 3.75Å; Y64-F146 HydrophobicContact CE1-CD2 3.75Å; Y64-F146 HydrophobicContact CE1-CG 4.49Å; Y64-F146 AromaticContact CE2-CD2 3.98Å; Y64-F146 HydrophobicContact CE2-CD2 3.98Å; Y64-F146 HydrophobicContact CE2-CE2 4.13Å; Y64-F146 HydrophobicContact CG-CD2 4.41Å; Y64-F146 AromaticContact CZ-CD2 3.66Å; F146-P148 HydrophobicContact CD1-CG 4.06Å; F146-P148 HydrophobicContact CE1-CB 4.02Å; F146-P148 HydrophobicContact CE1-CG 3.81Å
147	I	97.7	Very high	84.2	Confident	76 Å²	76	83.9 Å²	83.9	39%	0.39	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109	175.1	-56.2	174.6	0	0	0	107.7	G62 T63 A65 I72	G62-I147 CarbonylContact C-O 3.49Å; G62-I147 VanDerWaalsContact CA-O 3.26Å; G62-I147 WeakPolarHBondContact CA-O 3.36Å; T63-I147 PolarHBondContact N-O 2.91Å; T63-I147 PolarHBondContact O-N 3.33Å; A65-I147 HydrophobicContact CB-CD1 3.76Å; A65-I147 HydrophobicContact CB-CG1 4.38Å; I72-I147 HydrophobicContact CD1-CD1 3.78Å
148	P	97.3	Very high	82.2	Confident	89 Å²	89	92.9 Å²	92.9	58%	0.578	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	142.2	178.5	-21.2	31.3	0	0	0	111.6	F146 Q150	F146-P148 HydrophobicContact CD1-CG 4.06Å; F146-P148 HydrophobicContact CE1-CB 4.02Å; F146-P148 HydrophobicContact CE1-CG 3.81Å; P148-Q150 PolarHBondContact O-N 3.16Å
149	K	94.3	Very high	81.4	Confident	120 Å²	120	96.9 Å²	96.9	52%	0.522	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-63.9	125	171	-176	179.5	169.7	-166.6	0	109.1	E61 K151	E61-K149 HydrophobicContact CB-CB 4.23Å; E61-K149 HydrophobicContact CB-CD 4.24Å; E61-K149 WeakPolarHBondContact O-CB 3.29Å; E61-K149 PolarHBondContact O-N 3.41Å; E61-K149 VanDerWaalsContact OE2-CD 3.28Å; E61-K149 WeakPolarHBondContact OE2-CD 3.28Å; E61-K149 IonicContact OE2-NZ 3.22Å; E61-K149 PolarHBondContact OE2-NZ 3.28Å; K149-K151 PolarHBondContact O-N 2.75Å; K149-K151 VanDerWaalsContact O-N 3.16Å
150	Q	85.3	Confident	80.5	Confident	185 Å²	185	101.9 Å²	101.9	86%	0.864	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60.8	120.8	176.4	-67.8	-175	15.6	0	0	109.6	P148	P148-Q150 PolarHBondContact O-N 3.16Å
151	K	72.1	Confident	79.5	Confident	187 Å²	187	107.3 Å²	107.3	81%	0.813	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-69.7	134.1	171.2	-67.3	-177.3	-179.1	178.4	0	107.8	K149 N153	K149-K151 PolarHBondContact O-N 2.75Å; K149-K151 VanDerWaalsContact O-N 3.16Å; K151-N153 PolarHBondContact O-N 2.92Å; K151-N153 VanDerWaalsContact O-N 3.16Å
152	P	66.8	Low	78.4	Confident	122 Å²	122	113.6 Å²	113.6	79%	0.792	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-52.9	125.7	172.5	-22.4	32.4	0	0	0	109	A154	P152-A154 PolarHBondContact O-N 3.16Å
153	N	59.5	Low	77.2	Confident	158 Å²	158	119.2 Å²	119.2	85%	0.845	64%	0.635	S	S	*	*			trans	-53.7	110.2	177.4	-81	-17.3	0	0	0	109	K151 N155	K151-N153 PolarHBondContact O-N 2.92Å; K151-N153 VanDerWaalsContact O-N 3.16Å; N153-N155 PolarHBondContact O-N 2.85Å
154	A	59.5	Low	75.8	Confident	109 Å²	109	127.1 Å²	127.1	90%	0.901	68%	0.678	S	S	*	*			trans	-73.6	32.6	178.9	0	0	0	0	0	112.6	P152	P152-A154 PolarHBondContact O-N 3.16Å
155	N	51.8	Low	74.1	Confident	152 Å²	152	135.8 Å²	135.8	81%	0.813	72%	0.724	S	S	*	*			trans	-123.8	66.9	-178	-137.2	13	0	0	0	110.3	N153	N153-N155 PolarHBondContact O-N 2.85Å
156	K	51.4	Low	72.3	Confident	203 Å²	203	142.4 Å²	142.4	88%	0.883	76%	0.759	S	S	*	*			trans	-136.2	80.9	160.7	-78.5	-170.3	179.3	-179.7	0	109
157	K	49.1	Very low	70.1	Confident	212 Å²	212	150.5 Å²	150.5	92%	0.922	81%	0.806	S	S	*	*			trans	-138.3	92.6	150.7	-78.6	-167.8	179.3	-178.3	0	107.3
158	S	56.7	Low	67.6	Low	193 Å²	193	157.3 Å²	157.3	100%	1.35	84%	0.844	S	S	*	*			trans	-101.2	0	149.3	59.1	0	0	0	0	106.8

Retrieved 158 of 158 residues in 44.6 ms (Link to these results)

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