A0A077ZLZ2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077ZLZ2_TRITR|A0A077ZLZ2
MRNTTESNPLRDPEAVLLPGLVQSPCGRSLVSWAVTTSDGESCDDALLPAITALIQRHLLVVRNVSTPTNESLGETNGVGLHGQTACCCSCSSMGIALRTRWPGAAPGVTPGATHFGETAAHQTY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	37.4	Very low	243 Å²	243	137.6 Å²	137.6	100%	1.197	68%	0.684	S	S	*	*				0	98.4	0	-60.3	172.1	-164.1	0	0	106.6	N3	M1-N3 PolarHBondContact O-N 3.03Å
2	R	35.3	Very low	37.8	Very low	244 Å²	244	133.3 Å²	133.3	92%	0.921	66%	0.664	S	S	*	*			trans	-86.9	110.7	-175.6	-81	-178.5	-179.5	154.1	0.3	108.9	T4	R2-T4 PolarHBondContact O-N 3.49Å; R2-T4 VanDerWaalsContact O-N 3.14Å
3	N	30.6	Very low	38	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	64%	0.64	S	S	*	*			trans	-69.9	92.6	170.6	-175.4	6.5	0	0	0	108.2	M1 T5	M1-N3 PolarHBondContact O-N 3.03Å; N3-T5 PolarHBondContact O-N 3.29Å; N3-T5 VanDerWaalsContact O-N 3.09Å; N3-T5 PolarHBondContact OD1-OG1 3.1Å
4	T	38.6	Very low	37.8	Very low	114 Å²	114	128.1 Å²	128.1	70%	0.699	64%	0.642	S	S	*	*			trans	-79.6	74.6	166.3	43.1	0	0	0	0	107.7	R2 E6	R2-T4 PolarHBondContact O-N 3.49Å; R2-T4 VanDerWaalsContact O-N 3.14Å; T4-E6 PolarHBondContact O-N 2.85Å
5	T	39.9	Very low	37.7	Very low	103 Å²	103	122.8 Å²	122.8	63%	0.632	63%	0.625	S	S	*	*			trans	-68.3	84	155.1	-50	0	0	0	0	105.2	N3 S7	N3-T5 PolarHBondContact O-N 3.29Å; N3-T5 VanDerWaalsContact O-N 3.09Å; N3-T5 PolarHBondContact OD1-OG1 3.1Å; T5-S7 PolarHBondContact O-N 3.45Å
6	E	38.8	Very low	37.7	Very low	171 Å²	171	117.3 Å²	117.3	80%	0.799	60%	0.599	S	S	*	*			trans	-57.8	110.4	167.8	-78.3	-179.6	112.9	0	0	106.3	T4 N8	T4-E6 PolarHBondContact O-N 2.85Å; E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 2.99Å
7	S	39.3	Very low	37.5	Very low	107 Å²	107	117.6 Å²	117.6	75%	0.748	60%	0.602	S	S	*	*			trans	-54.6	97.3	175.6	-55.4	0	0	0	0	107.5	T5 P9	T5-S7 PolarHBondContact O-N 3.45Å; S7-P9 WeakPolarHBondContact O-CD 3.44Å
8	N	38.2	Very low	37.2	Very low	72 Å²	72	116.1 Å²	116.1	39%	0.385	59%	0.594	S	S	.	*			trans	-60.4	111	179.7	-176.3	-17.3	0	0	0	106.9	E6 L10 R11	E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 2.99Å; N8-L10 PolarHBondContact O-N 3.23Å; N8-L10 WeakPolarHBondContact OD1-CB 3.27Å; N8-L10 WeakPolarHBondContact OD1-CG 3.38Å; N8-L10 PolarHBondContact OD1-N 3.38Å; N8-R11 HydrophobicContact CB-CB 4.45Å; N8-R11 HydrophobicContact CB-CG 4.23Å; N8-R11 WeakPolarHBondContact O-CB 3.35Å; N8-R11 PolarHBondContact O-N 3.09Å
9	P	37.6	Very low	37	Very low	29 Å²	29	116.1 Å²	116.1	19%	0.188	60%	0.603	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	-178.9	22.3	-30.1	0	0	0	111.7	S7 R11 D12 V16 W33	S7-P9 WeakPolarHBondContact O-CD 3.44Å; P9-R11 VanDerWaalsContact C-N 3.29Å; P9-R11 PolarHBondContact O-N 2.87Å; P9-D12 CarbonylContact O-C 3.54Å; P9-V16 HydrophobicContact CB-CG2 3.79Å; P9-V16 WeakPolarHBondContact O-CG2 3.3Å; P9-W33 HydrophobicContact CB-CH2 3.76Å; P9-W33 HydrophobicContact CG-CH2 3.17Å; P9-W33 HydrophobicContact CG-CZ2 3.76Å; P9-W33 HydrophobicContact CG-CZ3 4.11Å
10	L	37.4	Very low	36.8	Very low	70 Å²	70	113.1 Å²	113.1	37%	0.366	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-18.9	173.7	-55.9	167.8	0	0	0	113.4	N8 A50	N8-L10 PolarHBondContact O-N 3.23Å; N8-L10 WeakPolarHBondContact OD1-CB 3.27Å; N8-L10 WeakPolarHBondContact OD1-CG 3.38Å; N8-L10 PolarHBondContact OD1-N 3.38Å; L10-A50 HydrophobicContact CD2-CB 3.85Å
11	R	38.9	Very low	36.6	Very low	221 Å²	221	109.3 Å²	109.3	83%	0.834	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-24.1	176.4	-76.5	-175.2	170.4	-171.3	-2	113.4	N8 P9	N8-R11 HydrophobicContact CB-CB 4.45Å; N8-R11 HydrophobicContact CB-CG 4.23Å; N8-R11 WeakPolarHBondContact O-CB 3.35Å; N8-R11 PolarHBondContact O-N 3.09Å; P9-R11 VanDerWaalsContact C-N 3.29Å; P9-R11 PolarHBondContact O-N 2.87Å
12	D	42.1	Very low	36.5	Very low	85 Å²	85	100.1 Å²	100.1	46%	0.455	54%	0.539	S	S	.	.			trans	-127.6	87.6	-179.6	-165.9	-17.9	0	0	0	110	P9 E14 A15 V16	P9-D12 CarbonylContact O-C 3.54Å; D12-E14 PolarHBondContact O-N 3.46Å; D12-E14 VanDerWaalsContact O-N 3.09Å; D12-E14 PolarHBondContact OD1-N 3.45Å; D12-A15 HydrophobicContact CB-CB 3.83Å; D12-A15 WeakPolarHBondContact O-CA 3.5Å; D12-A15 WeakPolarHBondContact O-CB 3.17Å; D12-A15 PolarHBondContact O-N 3.04Å; D12-A15 PolarHBondContact OD1-N 3.34Å; D12-V16 PolarHBondContact O-N 3.24Å
13	P	40.5	Very low	36.4	Very low	53 Å²	53	91.6 Å²	91.6	34%	0.344	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.1	-176.8	29.4	-36.7	0	0	0	113.4	R57	P13-R57 VanDerWaalsContact CB-NH1 3.3Å; P13-R57 VanDerWaalsContact CG-CZ 3.47Å; P13-R57 VanDerWaalsContact CG-NH2 3.3Å
14	E	36.1	Very low	36.3	Very low	142 Å²	142	86.7 Å²	86.7	66%	0.664	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-29.8	168.3	-63.1	-140.5	127.3	0	0	112.1	D12 V16 L17	D12-E14 PolarHBondContact O-N 3.46Å; D12-E14 VanDerWaalsContact O-N 3.09Å; D12-E14 PolarHBondContact OD1-N 3.45Å; E14-V16 PolarHBondContact O-N 3.45Å; E14-L17 WeakPolarHBondContact O-CB 3.44Å; E14-L17 WeakPolarHBondContact O-CG 3.35Å; E14-L17 PolarHBondContact O-N 3.18Å; E14-L17 VanDerWaalsContact O-N 3.11Å
15	A	36	Very low	35.9	Very low	48 Å²	48	87.6 Å²	87.6	40%	0.397	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.1	168	0	0	0	0	0	112.8	D12 L17 L18	D12-A15 HydrophobicContact CB-CB 3.83Å; D12-A15 WeakPolarHBondContact O-CA 3.5Å; D12-A15 WeakPolarHBondContact O-CB 3.17Å; D12-A15 PolarHBondContact O-N 3.04Å; D12-A15 PolarHBondContact OD1-N 3.34Å; A15-L17 PolarHBondContact O-N 3.43Å; A15-L18 WeakPolarHBondContact O-CG 3.3Å
16	V	37.9	Very low	35.3	Very low	34 Å²	34	86.7 Å²	86.7	21%	0.206	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	12.1	171.7	-170.9	0	0	0	0	112	P9 D12 E14 L18 L21	P9-V16 HydrophobicContact CB-CG2 3.79Å; P9-V16 WeakPolarHBondContact O-CG2 3.3Å; D12-V16 PolarHBondContact O-N 3.24Å; E14-V16 PolarHBondContact O-N 3.45Å; V16-L18 PolarHBondContact O-N 3.32Å; V16-L21 HydrophobicContact CG1-CD1 3.85Å
17	L	34.6	Very low	35	Very low	124 Å²	124	80 Å²	80	65%	0.649	47%	0.468	S	S	*	.			trans	-78.4	54.9	159.1	-67.7	168.9	0	0	0	109.5	E14 A15 P19	E14-L17 WeakPolarHBondContact O-CB 3.44Å; E14-L17 WeakPolarHBondContact O-CG 3.35Å; E14-L17 PolarHBondContact O-N 3.18Å; E14-L17 VanDerWaalsContact O-N 3.11Å; A15-L17 PolarHBondContact O-N 3.43Å; L17-P19 WeakPolarHBondContact O-CD 3.44Å
18	L	32.2	Very low	34.9	Very low	89 Å²	89	80.9 Å²	80.9	47%	0.466	46%	0.455	S	S	.	.			trans	-98.2	113.3	176.8	-78.6	165	0	0	0	109	A15 V16 G20 L21	A15-L18 WeakPolarHBondContact O-CG 3.3Å; V16-L18 PolarHBondContact O-N 3.32Å; L18-G20 PolarHBondContact O-N 3.41Å; L18-L21 HydrophobicContact CB-CD1 4.21Å; L18-L21 HydrophobicContact CD1-CD1 4.4Å; L18-L21 PolarHBondContact O-N 3.27Å; L18-L21 VanDerWaalsContact O-N 3.1Å
19	P	33.5	Very low	35.2	Very low	117 Å²	117	78.5 Å²	78.5	76%	0.76	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.5	171.2	-25.2	34	0	0	0	114.4	L17	L17-P19 WeakPolarHBondContact O-CD 3.44Å
20	G	31.5	Very low	35.5	Very low	56 Å²	56	79.5 Å²	79.5	58%	0.577	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.2	-179.8	0	0	0	0	0	116.1	L18 V22	L18-G20 PolarHBondContact O-N 3.41Å; G20-V22 VanDerWaalsContact C-N 3.3Å; G20-V22 PolarHBondContact O-N 2.67Å
21	L	33.7	Very low	35.8	Very low	33 Å²	33	77.2 Å²	77.2	17%	0.173	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.7	-176.7	-117	145.9	0	0	0	113.7	V16 L18 L30 W33	V16-L21 HydrophobicContact CG1-CD1 3.85Å; L18-L21 HydrophobicContact CB-CD1 4.21Å; L18-L21 HydrophobicContact CD1-CD1 4.4Å; L18-L21 PolarHBondContact O-N 3.27Å; L18-L21 VanDerWaalsContact O-N 3.1Å; L21-L30 HydrophobicContact CD2-CD2 3.92Å; L21-W33 HydrophobicContact CD1-CH2 3.87Å; L21-W33 HydrophobicContact CD1-CZ2 4.3Å; L21-W33 HydrophobicContact CD1-CZ3 4.22Å; L21-W33 HydrophobicContact CD2-CD2 3.9Å; L21-W33 HydrophobicContact CD2-CE3 3.72Å; L21-W33 HydrophobicContact CD2-CG 4.39Å; L21-W33 HydrophobicContact CD2-CH2 4.21Å; L21-W33 HydrophobicContact CD2-CZ3 3.89Å; L21-W33 HydrophobicContact CG-CH2 4.38Å
22	V	34.5	Very low	35.8	Very low	51 Å²	51	66.9 Å²	66.9	31%	0.309	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.4	178.5	-174.7	0	0	0	0	112.1	G20 W102 P111	G20-V22 VanDerWaalsContact C-N 3.3Å; G20-V22 PolarHBondContact O-N 2.67Å; V22-W102 HydrophobicContact CG2-CH2 4.31Å; V22-W102 HydrophobicContact CG2-CZ2 3.21Å; V22-P111 HydrophobicContact CG1-CB 4.35Å; V22-P111 HydrophobicContact CG1-CG 4.44Å
23	Q	32.3	Very low	35.7	Very low	64 Å²	64	67 Å²	67	30%	0.299	39%	0.392	S	S	.	.			trans	-138	86.5	-176.4	-95.7	138	-17.2	0	0	113.2	P111 G112	Q23-P111 PolarHBondContact NE2-O 2.95Å; Q23-P111 PolarHBondContact OE1-O 3.2Å; Q23-G112 PolarHBondContact NE2-O 2.96Å; Q23-G112 PolarHBondContact OE1-O 2.96Å
24	S	29.9	Very low	35.7	Very low	38 Å²	38	65 Å²	65	27%	0.266	38%	0.381	S	S	.	.			trans	-72.5	136.7	146.4	99.9	0	0	0	0	108.3	C26 G27 R28	S24-C26 PolarHBondContact O-N 3.36Å; S24-C26 PolarHBondContact OG-N 3.43Å; S24-C26 VanDerWaalsContact OG-N 3.11Å; S24-G27 PolarHBondContact O-N 3.26Å; S24-G27 PolarHBondContact OG-N 3.11Å; S24-R28 WeakPolarHBondContact OG-CB 3.48Å; S24-R28 PolarHBondContact OG-N 3.49Å
25	P	29.2	Very low	35.9	Very low	133 Å²	133	59.9 Å²	59.9	86%	0.864	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	14.3	170.7	25.6	-31.6	0	0	0	114.2
26	C	28.2	Very low	36	Very low	84 Å²	84	61.1 Å²	61.1	57%	0.568	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	20.9	177.7	-54.8	0	0	0	0	113.6	S24 R28 T85	S24-C26 PolarHBondContact O-N 3.36Å; S24-C26 PolarHBondContact OG-N 3.43Å; S24-C26 VanDerWaalsContact OG-N 3.11Å; C26-R28 HydrophobicContact CB-CG 4.16Å; C26-R28 PolarHBondContact O-N 3.22Å; C26-T85 PolarHBondContact O-OG1 2.95Å
27	G	32.6	Very low	36.1	Very low	30 Å²	30	62.8 Å²	62.8	31%	0.309	37%	0.372	S	S	.	.			trans	60.6	16	-179.6	0	0	0	0	0	114.8	S24 S29 T85	S24-G27 PolarHBondContact O-N 3.26Å; S24-G27 PolarHBondContact OG-N 3.11Å; G27-S29 PolarHBondContact O-N 3.49Å; G27-T85 VanDerWaalsContact C-OG1 3.22Å; G27-T85 WeakPolarHBondContact O-CB 3.47Å; G27-T85 PolarHBondContact O-N 3.44Å; G27-T85 PolarHBondContact O-OG1 2.98Å; G27-T85 VanDerWaalsContact O-OG1 3.1Å
28	R	36	Very low	36.2	Very low	125 Å²	125	58 Å²	58	47%	0.472	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-58.1	106.9	177.7	-71.2	-176.1	170.2	-165.4	-0.6	109.1	S24 C26 S32 T85	S24-R28 WeakPolarHBondContact OG-CB 3.48Å; S24-R28 PolarHBondContact OG-N 3.49Å; C26-R28 HydrophobicContact CB-CG 4.16Å; C26-R28 PolarHBondContact O-N 3.22Å; R28-S32 WeakPolarHBondContact CB-OG 2.88Å; R28-S32 VanDerWaalsContact CD-OG 3.26Å; R28-S32 WeakPolarHBondContact CD-OG 3.4Å; R28-S32 WeakPolarHBondContact CG-OG 3.15Å; R28-T85 HydrophobicContact CG-CG2 4.24Å
29	S	44.5	Very low	36.4	Very low	22 Å²	22	61.7 Å²	61.7	15%	0.154	37%	0.369	C	S	.	.			trans	-46.4	151.6	170.2	179.5	0	0	0	0	110.1	G27 V31 S32 T85	G27-S29 PolarHBondContact O-N 3.49Å; S29-V31 CarbonylContact O-C 3.51Å; S29-V31 PolarHBondContact O-N 3.48Å; S29-S32 WeakPolarHBondContact O-CA 3.43Å; S29-S32 WeakPolarHBondContact O-CB 3.17Å; S29-S32 PolarHBondContact O-N 3.46Å; S29-T85 VanDerWaalsContact CB-O 3.29Å; S29-T85 WeakPolarHBondContact CB-O 3.35Å
30	L	43.3	Very low	36.7	Very low	50 Å²	50	60 Å²	60	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-44.3	-31.8	174.3	-89.8	156.5	0	0	0	112.9	L21 A34 L60 L98 T100	L21-L30 HydrophobicContact CD2-CD2 3.92Å; L30-A34 PolarHBondContact O-N 3.48Å; L30-L60 HydrophobicContact CD1-CD1 3.69Å; L30-L98 HydrophobicContact CB-CD1 3.85Å; L30-T100 HydrophobicContact CD1-CG2 3.52Å
31	V	43.7	Very low	37	Very low	22 Å²	22	64.4 Å²	64.4	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-46.7	172.5	-173.7	0	0	0	0	112	S29 W33 A34 V35 L47 I51 C87 L98	S29-V31 CarbonylContact O-C 3.51Å; S29-V31 PolarHBondContact O-N 3.48Å; V31-W33 VanDerWaalsContact C-N 3.34Å; V31-W33 PolarHBondContact O-N 3.11Å; V31-A34 PolarHBondContact O-N 3.13Å; V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 WeakPolarHBondContact O-CG2 3.21Å; V31-V35 PolarHBondContact O-N 2.97Å; V31-L47 HydrophobicContact CB-CD2 4.28Å; V31-L47 HydrophobicContact CG1-CD2 3.67Å; V31-I51 HydrophobicContact CG2-CD1 4.49Å; V31-C87 HydrophobicContact CB-CB 4.36Å; V31-C87 HydrophobicContact CG1-CB 4.03Å; V31-L98 HydrophobicContact CG2-CD1 3.53Å; V31-L98 HydrophobicContact CG2-CG 4.44Å
32	S	40.6	Very low	37.4	Very low	4 Å²	4	65.9 Å²	65.9	3%	0.028	39%	0.391	C	S	.	.	H	α-helix	trans	-67.6	-28.9	-176.3	178.8	0	0	0	0	114.2	R28 S29 T36 C87	R28-S32 WeakPolarHBondContact CB-OG 2.88Å; R28-S32 VanDerWaalsContact CD-OG 3.26Å; R28-S32 WeakPolarHBondContact CD-OG 3.4Å; R28-S32 WeakPolarHBondContact CG-OG 3.15Å; S29-S32 WeakPolarHBondContact O-CA 3.43Å; S29-S32 WeakPolarHBondContact O-CB 3.17Å; S29-S32 PolarHBondContact O-N 3.46Å; S32-T36 PolarHBondContact O-N 3.01Å; S32-T36 PolarHBondContact O-OG1 2.86Å; S32-T36 VanDerWaalsContact O-OG1 3.06Å; S32-C87 WeakPolarHBondContact CA-SG 3.29Å; S32-C87 WeakPolarHBondContact CB-SG 3.09Å; S32-C87 PolarHBondContact OG-SG 2.99Å; S32-C87 VanDerWaalsContact OG-SG 3.39Å
33	W	38.8	Very low	37.7	Very low	87 Å²	87	64.9 Å²	64.9	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-74.9	-40.1	172.6	-179.1	80.5	0	0	0	112.2	P9 L21 V31 V35 T36 T37	P9-W33 HydrophobicContact CB-CH2 3.76Å; P9-W33 HydrophobicContact CG-CH2 3.17Å; P9-W33 HydrophobicContact CG-CZ2 3.76Å; P9-W33 HydrophobicContact CG-CZ3 4.11Å; L21-W33 HydrophobicContact CD1-CH2 3.87Å; L21-W33 HydrophobicContact CD1-CZ2 4.3Å; L21-W33 HydrophobicContact CD1-CZ3 4.22Å; L21-W33 HydrophobicContact CD2-CD2 3.9Å; L21-W33 HydrophobicContact CD2-CE3 3.72Å; L21-W33 HydrophobicContact CD2-CG 4.39Å; L21-W33 HydrophobicContact CD2-CH2 4.21Å; L21-W33 HydrophobicContact CD2-CZ3 3.89Å; L21-W33 HydrophobicContact CG-CH2 4.38Å; V31-W33 VanDerWaalsContact C-N 3.34Å; V31-W33 PolarHBondContact O-N 3.11Å; W33-V35 PolarHBondContact O-N 2.79Å; W33-T36 WeakPolarHBondContact CA-OG1 3.33Å; W33-T36 PolarHBondContact O-N 3.05Å; W33-T36 PolarHBondContact O-OG1 3.02Å; W33-T37 HydrophobicContact CD2-CG2 4.46Å; W33-T37 PolarHBondContact O-N 2.86Å; W33-T37 PolarHBondContact O-OG1 2.9Å; W33-T37 VanDerWaalsContact O-OG1 3.09Å
34	A	40.6	Very low	38.1	Very low	13 Å²	13	67.1 Å²	67.1	11%	0.107	40%	0.4	C	S	.	.	H	α-helix	trans	-65.2	-29.5	175.3	0	0	0	0	0	112.1	L30 V31 T37 S38 L47	L30-A34 PolarHBondContact O-N 3.48Å; V31-A34 PolarHBondContact O-N 3.13Å; A34-T37 PolarHBondContact O-OG1 3.1Å; A34-S38 PolarHBondContact O-OG 3.02Å; A34-L47 HydrophobicContact CB-CD1 4.19Å; A34-L47 HydrophobicContact CB-CD2 3.65Å; A34-L47 HydrophobicContact CB-CG 3.66Å
35	V	40.3	Very low	38.7	Very low	33 Å²	33	71.1 Å²	71.1	20%	0.2	42%	0.418	C	S	.	.	H	α-helix	trans	-74.4	-33	175.4	172.9	0	0	0	0	113	V31 W33 T37 S38 L47 C89	V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 WeakPolarHBondContact O-CG2 3.21Å; V31-V35 PolarHBondContact O-N 2.97Å; W33-V35 PolarHBondContact O-N 2.79Å; V35-T37 VanDerWaalsContact C-N 3.34Å; V35-S38 PolarHBondContact O-OG 2.74Å; V35-L47 HydrophobicContact CG2-CD1 3.64Å; V35-L47 HydrophobicContact CG2-CD2 4.13Å; V35-C89 WeakPolarHBondContact CG2-SG 3.26Å
36	T	39.2	Very low	39.4	Very low	75 Å²	75	66.5 Å²	66.5	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-80.6	-11.6	178.8	41.6	0	0	0	0	114.8	S32 W33	S32-T36 PolarHBondContact O-N 3.01Å; S32-T36 PolarHBondContact O-OG1 2.86Å; S32-T36 VanDerWaalsContact O-OG1 3.06Å; W33-T36 WeakPolarHBondContact CA-OG1 3.33Å; W33-T36 PolarHBondContact O-N 3.05Å; W33-T36 PolarHBondContact O-OG1 3.02Å
37	T	39.4	Very low	40.4	Very low	69 Å²	69	63.1 Å²	63.1	42%	0.423	37%	0.368	S	S	.	.	S	Bend	trans	-98.3	-10.6	-179	46.2	0	0	0	0	113	W33 A34 V35	W33-T37 HydrophobicContact CD2-CG2 4.46Å; W33-T37 PolarHBondContact O-N 2.86Å; W33-T37 PolarHBondContact O-OG1 2.9Å; W33-T37 VanDerWaalsContact O-OG1 3.09Å; A34-T37 PolarHBondContact O-OG1 3.1Å; V35-T37 VanDerWaalsContact C-N 3.34Å
38	S	36.8	Very low	41.1	Very low	23 Å²	23	67.3 Å²	67.3	16%	0.161	38%	0.382	C	S	.	.	S	Bend	trans	-94.1	94	170.7	39.4	0	0	0	0	109.5	A34 V35 G40	A34-S38 PolarHBondContact O-OG 3.02Å; V35-S38 PolarHBondContact O-OG 2.74Å; S38-G40 PolarHBondContact O-N 2.88Å
39	D	36.9	Very low	42	Very low	167 Å²	167	65.2 Å²	65.2	89%	0.893	39%	0.385	S	S	*	.	S	Bend	trans	-62.4	72.6	172.8	-80.1	-45.7	0	0	0	111.9
40	G	38.3	Very low	42.4	Very low	81 Å²	81	65.4 Å²	65.4	84%	0.835	39%	0.388	S	S	*	.	S	Bend	trans	85.4	9.5	170.7	0	0	0	0	0	116.3	S38	S38-G40 PolarHBondContact O-N 2.88Å
41	E	39.5	Very low	42.9	Very low	149 Å²	149	65.1 Å²	65.1	70%	0.696	39%	0.386	S	S	*	.	S	Bend	trans	-84	141.7	166	-77	-173.8	103.5	0	0	110.7	C43	E41-C43 PolarHBondContact O-N 3.16Å; E41-C43 VanDerWaalsContact O-N 3.16Å
42	S	41.8	Very low	43.4	Very low	64 Å²	64	66.7 Å²	66.7	45%	0.448	40%	0.396	S	S	.	.			trans	-46	120	178.6	33.3	0	0	0	0	110.7	D44 D45	S42-D44 PolarHBondContact O-N 2.95Å; S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 PolarHBondContact OG-OD2 2.88Å
43	C	39.7	Very low	44.2	Very low	30 Å²	30	68.2 Å²	68.2	20%	0.203	41%	0.409	C	S	.	.	H	α-helix	trans	-48.3	-31.1	177.6	-77	0	0	0	0	113.1	E41 L47 C89	E41-C43 PolarHBondContact O-N 3.16Å; E41-C43 VanDerWaalsContact O-N 3.16Å; C43-L47 HydrophobicContact CB-CD1 4.21Å; C43-L47 VanDerWaalsContact O-CB 3.29Å; C43-L47 WeakPolarHBondContact O-CB 3.38Å; C43-L47 WeakPolarHBondContact O-CD1 3.29Å; C43-L47 PolarHBondContact O-N 3.45Å; C43-C89 HydrophobicContact CB-CB 3.29Å; C43-C89 WeakPolarHBondContact CB-SG 3.21Å; C43-C89 WeakPolarHBondContact SG-CB 3.34Å; C43-C89 CovalentContact SG-SG 2.04Å; C43-C89 PolarHBondContact SG-SG 3.4Å
44	D	41.9	Very low	45.1	Very low	111 Å²	111	66.2 Å²	66.2	59%	0.594	40%	0.404	S	S	*	.	H	α-helix	trans	-71.3	-37.4	-174.4	-66.4	-54.8	0	0	0	113.2	S42 L48	S42-D44 PolarHBondContact O-N 2.95Å; D44-L48 WeakPolarHBondContact O-CB 3.18Å; D44-L48 PolarHBondContact O-N 3Å
45	D	42.5	Very low	45.9	Very low	121 Å²	121	69.1 Å²	69.1	65%	0.647	42%	0.417	S	S	*	.	H	α-helix	trans	-82.6	-31.5	-171.8	-66.4	-54.9	0	0	0	112.8	S42 P49	S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 PolarHBondContact OG-OD2 2.88Å; D45-P49 WeakPolarHBondContact O-CD 3.04Å; D45-P49 WeakPolarHBondContact O-CG 3.44Å
46	A	43.7	Very low	46.7	Very low	37 Å²	37	74.4 Å²	74.4	31%	0.306	44%	0.44	S	S	.	.	H	α-helix	trans	-89.8	-35.3	-179	0	0	0	0	0	113.4
47	L	48.1	Very low	47.6	Very low	12 Å²	12	76.9 Å²	76.9	6%	0.063	44%	0.441	C	S	.	.	H	α-helix	trans	-78.8	-34.8	-179.5	-86.6	101	0	0	0	113.2	V31 A34 V35 C43 A50 I51	V31-L47 HydrophobicContact CB-CD2 4.28Å; V31-L47 HydrophobicContact CG1-CD2 3.67Å; A34-L47 HydrophobicContact CB-CD1 4.19Å; A34-L47 HydrophobicContact CB-CD2 3.65Å; A34-L47 HydrophobicContact CB-CG 3.66Å; V35-L47 HydrophobicContact CG2-CD1 3.64Å; V35-L47 HydrophobicContact CG2-CD2 4.13Å; C43-L47 HydrophobicContact CB-CD1 4.21Å; C43-L47 VanDerWaalsContact O-CB 3.29Å; C43-L47 WeakPolarHBondContact O-CB 3.38Å; C43-L47 WeakPolarHBondContact O-CD1 3.29Å; C43-L47 PolarHBondContact O-N 3.45Å; L47-A50 PolarHBondContact O-N 3.14Å; L47-I51 HydrophobicContact CB-CD1 4.11Å; L47-I51 HydrophobicContact CD2-CD1 3.93Å; L47-I51 WeakPolarHBondContact O-CB 3.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.19Å; L47-I51 PolarHBondContact O-N 3.15Å
48	L	48.2	Very low	48.4	Very low	118 Å²	118	81.5 Å²	81.5	62%	0.618	46%	0.457	S	S	*	.	H	α-helix	trans	-62	-43.3	-172.9	-168.5	68	0	0	0	112.9	D44 A50 T52	D44-L48 WeakPolarHBondContact O-CB 3.18Å; D44-L48 PolarHBondContact O-N 3Å; L48-A50 PolarHBondContact O-N 3.09Å; L48-T52 WeakPolarHBondContact O-CB 3.02Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.21Å
49	P	53.7	Low	49.1	Very low	82 Å²	82	83.8 Å²	83.8	53%	0.532	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-39.6	175.5	-19.3	31.8	0	0	0	112.4	D45 T52 A53	D45-P49 WeakPolarHBondContact O-CD 3.04Å; D45-P49 WeakPolarHBondContact O-CG 3.44Å; P49-T52 PolarHBondContact O-N 3.11Å; P49-A53 WeakPolarHBondContact O-CB 3.46Å; P49-A53 PolarHBondContact O-N 3.2Å
50	A	53.5	Low	49.8	Very low	25 Å²	25	76.2 Å²	76.2	21%	0.207	43%	0.427	C	S	.	.	H	α-helix	trans	-69.3	-46.2	-178.3	0	0	0	0	0	112.2	L10 L47 L48 T52 A53 L54	L10-A50 HydrophobicContact CD2-CB 3.85Å; L47-A50 PolarHBondContact O-N 3.14Å; L48-A50 PolarHBondContact O-N 3.09Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.9Å; A50-A53 PolarHBondContact O-N 2.78Å; A50-L54 WeakPolarHBondContact O-CG 3.29Å; A50-L54 PolarHBondContact O-N 3.29Å
51	I	54.1	Low	50.1	Low	45 Å²	45	75.1 Å²	75.1	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-42.9	174.4	-67.4	172.6	0	0	0	109.9	V31 L47 A53 L54 I55 L60	V31-I51 HydrophobicContact CG2-CD1 4.49Å; L47-I51 HydrophobicContact CB-CD1 4.11Å; L47-I51 HydrophobicContact CD2-CD1 3.93Å; L47-I51 WeakPolarHBondContact O-CB 3.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.19Å; L47-I51 PolarHBondContact O-N 3.15Å; I51-A53 PolarHBondContact O-N 3.33Å; I51-L54 PolarHBondContact O-N 3.37Å; I51-I55 HydrophobicContact CG2-CD1 3.81Å; I51-I55 HydrophobicContact CG2-CG1 4.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 2.91Å; I51-I55 PolarHBondContact O-N 3.09Å; I51-L60 HydrophobicContact CG2-CD2 3.96Å
52	T	53.6	Low	50.3	Low	55 Å²	55	71.6 Å²	71.6	34%	0.337	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-44.6	177.2	-61.2	0	0	0	0	111.3	L48 P49 A50 L54 I55 Q56	L48-T52 WeakPolarHBondContact O-CB 3.02Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.21Å; P49-T52 PolarHBondContact O-N 3.11Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.9Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 2.97Å; T52-I55 PolarHBondContact O-N 3.16Å; T52-Q56 HydrophobicContact CG2-CG 4.27Å; T52-Q56 WeakPolarHBondContact O-CB 3.4Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.14Å; T52-Q56 PolarHBondContact O-N 3.06Å
53	A	56.9	Low	49.9	Very low	35 Å²	35	75.3 Å²	75.3	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-39.6	176.8	0	0	0	0	0	112.3	P49 A50 I51 Q56 R57	P49-A53 WeakPolarHBondContact O-CB 3.46Å; P49-A53 PolarHBondContact O-N 3.2Å; A50-A53 PolarHBondContact O-N 2.78Å; I51-A53 PolarHBondContact O-N 3.33Å; A53-Q56 PolarHBondContact O-N 3.26Å; A53-R57 WeakPolarHBondContact O-CB 3.44Å; A53-R57 VanDerWaalsContact O-CG 3.3Å; A53-R57 WeakPolarHBondContact O-CG 3.35Å; A53-R57 PolarHBondContact O-N 2.63Å
54	L	58.6	Low	49.6	Very low	45 Å²	45	81.4 Å²	81.4	24%	0.236	43%	0.427	C	S	.	.	H	α-helix	trans	-67.8	-37.3	176.5	-68.4	171.4	0	0	0	112.5	A50 I51 T52 H58 L59 L60	A50-L54 WeakPolarHBondContact O-CG 3.29Å; A50-L54 PolarHBondContact O-N 3.29Å; I51-L54 PolarHBondContact O-N 3.37Å; T52-L54 VanDerWaalsContact C-N 3.34Å; T52-L54 PolarHBondContact O-N 2.97Å; L54-H58 PolarHBondContact O-N 2.62Å; L54-L59 HydrophobicContact CD2-CB 4.23Å; L54-L59 HydrophobicContact CD2-CD1 4.16Å; L54-L59 PolarHBondContact O-N 3.25Å; L54-L60 HydrophobicContact CB-CB 3.91Å; L54-L60 PolarHBondContact O-N 3.34Å
55	I	56.2	Low	49.2	Very low	75 Å²	75	78.4 Å²	78.4	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-47	173.7	-67	167.8	0	0	0	110.3	I51 T52 R57 H58 L60 V62	I51-I55 HydrophobicContact CG2-CD1 3.81Å; I51-I55 HydrophobicContact CG2-CG1 4.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 2.91Å; I51-I55 PolarHBondContact O-N 3.09Å; T52-I55 PolarHBondContact O-N 3.16Å; I55-R57 PolarHBondContact O-N 3.03Å; I55-H58 PolarHBondContact O-N 2.97Å; I55-L60 HydrophobicContact CD1-CD2 4.34Å; I55-L60 HydrophobicContact CG1-CB 4.16Å; I55-L60 HydrophobicContact CG1-CD2 3.81Å; I55-V62 HydrophobicContact CD1-CG2 3.72Å; I55-V62 HydrophobicContact CG1-CG2 4.09Å
56	Q	57.6	Low	48.6	Very low	144 Å²	144	77.5 Å²	77.5	67%	0.673	42%	0.415	S	S	*	.	H	α-helix	trans	-61.1	-31.8	179.5	-76.4	177.5	-15.2	0	0	112.6	T52 A53 H58	T52-Q56 HydrophobicContact CG2-CG 4.27Å; T52-Q56 WeakPolarHBondContact O-CB 3.4Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.14Å; T52-Q56 PolarHBondContact O-N 3.06Å; A53-Q56 PolarHBondContact O-N 3.26Å; Q56-H58 VanDerWaalsContact C-N 3.28Å; Q56-H58 PolarHBondContact O-N 3.36Å
57	R	57.8	Low	47.9	Very low	126 Å²	126	80.6 Å²	80.6	48%	0.475	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.9	175.9	-68	178.4	178	-153.6	-1.3	114	P13 A53 I55 L59	P13-R57 VanDerWaalsContact CB-NH1 3.3Å; P13-R57 VanDerWaalsContact CG-CZ 3.47Å; P13-R57 VanDerWaalsContact CG-NH2 3.3Å; A53-R57 WeakPolarHBondContact O-CB 3.44Å; A53-R57 VanDerWaalsContact O-CG 3.3Å; A53-R57 WeakPolarHBondContact O-CG 3.35Å; A53-R57 PolarHBondContact O-N 2.63Å; I55-R57 PolarHBondContact O-N 3.03Å; R57-L59 HydrophobicContact CB-CD1 3.87Å; R57-L59 HydrophobicContact CB-CG 3.88Å; R57-L59 PolarHBondContact O-N 2.81Å; R57-L59 VanDerWaalsContact O-N 3.1Å
58	H	57.2	Low	47.2	Very low	166 Å²	166	83.6 Å²	83.6	77%	0.769	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	20.4	-174.5	-58.1	-69.5	0	0	0	114.5	L54 I55 Q56	L54-H58 PolarHBondContact O-N 2.62Å; I55-H58 PolarHBondContact O-N 2.97Å; Q56-H58 VanDerWaalsContact C-N 3.28Å; Q56-H58 PolarHBondContact O-N 3.36Å
59	L	51.1	Low	46.4	Very low	72 Å²	72	82 Å²	82	38%	0.377	45%	0.446	S	S	.	.	S	Bend	trans	-84	-17.9	178	-63.3	174.7	0	0	0	111.9	L54 R57	L54-L59 HydrophobicContact CD2-CB 4.23Å; L54-L59 HydrophobicContact CD2-CD1 4.16Å; L54-L59 PolarHBondContact O-N 3.25Å; R57-L59 HydrophobicContact CB-CD1 3.87Å; R57-L59 HydrophobicContact CB-CG 3.88Å; R57-L59 PolarHBondContact O-N 2.81Å; R57-L59 VanDerWaalsContact O-N 3.1Å
60	L	51.6	Low	45.3	Very low	8 Å²	8	85.5 Å²	85.5	4%	0.042	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	178.7	-159.9	83	0	0	0	111	L30 I51 L54 I55 V62 L98	L30-L60 HydrophobicContact CD1-CD1 3.69Å; I51-L60 HydrophobicContact CG2-CD2 3.96Å; L54-L60 HydrophobicContact CB-CB 3.91Å; L54-L60 PolarHBondContact O-N 3.34Å; I55-L60 HydrophobicContact CD1-CD2 4.34Å; I55-L60 HydrophobicContact CG1-CB 4.16Å; I55-L60 HydrophobicContact CG1-CD2 3.81Å; L60-V62 HydrophobicContact CD2-CG2 3.97Å; L60-L98 HydrophobicContact CD1-CB 4.17Å; L60-L98 HydrophobicContact CD1-CD1 4.01Å; L60-L98 HydrophobicContact CD1-CD2 4.02Å; L60-L98 HydrophobicContact CD1-CG 4.28Å; L60-L98 HydrophobicContact CD2-CD1 4.36Å; L60-L98 HydrophobicContact CD2-CD2 3.68Å; L60-L98 HydrophobicContact CG-CD2 3.96Å
61	V	45.3	Very low	44.1	Very low	57 Å²	57	93 Å²	93	35%	0.345	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111	168.4	-178.7	0	0	0	0	108.1	R63	V61-R63 HydrophobicContact CG1-CG 4.23Å; V61-R63 PolarHBondContact O-N 2.04Å
62	V	42.3	Very low	43.2	Very low	75 Å²	75	94.7 Å²	94.7	46%	0.455	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.4	172.9	-174.8	0	0	0	0	108	I55 L60 I96 L98	I55-V62 HydrophobicContact CD1-CG2 3.72Å; I55-V62 HydrophobicContact CG1-CG2 4.09Å; L60-V62 HydrophobicContact CD2-CG2 3.97Å; V62-I96 HydrophobicContact CG1-CG2 4.31Å; V62-L98 HydrophobicContact CG2-CD2 4.22Å
63	R	34.3	Very low	42.4	Very low	143 Å²	143	98.8 Å²	98.8	54%	0.54	53%	0.526	S	S	.	.			trans	-109.4	132.1	166.9	-71.2	-169.5	173.6	-172.6	-4.8	108.1	V61 V65	V61-R63 HydrophobicContact CG1-CG 4.23Å; V61-R63 PolarHBondContact O-N 2.04Å; R63-V65 PolarHBondContact O-N 3.39Å; R63-V65 VanDerWaalsContact O-N 3.13Å
64	N	33.2	Very low	41	Very low	157 Å²	157	99.6 Å²	99.6	84%	0.84	54%	0.538	S	S	*	.			trans	-64.3	112.3	170.8	-169.1	-7.8	0	0	0	108
65	V	34.3	Very low	39.6	Very low	49 Å²	49	106.7 Å²	106.7	30%	0.297	57%	0.57	S	S	.	*			trans	-98.2	102	168.9	-176.5	0	0	0	0	105.4	R63 T67 A97	R63-V65 PolarHBondContact O-N 3.39Å; R63-V65 VanDerWaalsContact O-N 3.13Å; V65-T67 PolarHBondContact O-N 2.68Å; V65-T67 VanDerWaalsContact O-N 3.11Å; V65-A97 HydrophobicContact CB-CB 4.41Å; V65-A97 HydrophobicContact CG2-CB 3.64Å
66	S	29.4	Very low	38.4	Very low	101 Å²	101	107.5 Å²	107.5	71%	0.706	58%	0.578	S	S	*	*			trans	-50.4	118.6	162.7	41.6	0	0	0	0	108
67	T	29.7	Very low	37	Very low	102 Å²	102	108.2 Å²	108.2	63%	0.626	59%	0.587	S	S	*	*			trans	-7.5	113.3	175.4	44.5	0	0	0	0	114.7	V65 T69	V65-T67 PolarHBondContact O-N 2.68Å; V65-T67 VanDerWaalsContact O-N 3.11Å; T67-T69 PolarHBondContact O-N 2.99Å
68	P	33.2	Very low	35.4	Very low	75 Å²	75	106.6 Å²	106.6	49%	0.487	61%	0.609	S	S	.	*			trans	-64.2	107.1	165.6	26	-29.6	0	0	0	107.6
69	T	30	Very low	34	Very low	86 Å²	86	103.3 Å²	103.3	53%	0.528	60%	0.601	S	S	.	*			trans	-61.8	135.2	159.5	43.4	0	0	0	0	106.2	T67 E71 S72	T67-T69 PolarHBondContact O-N 2.99Å; T69-E71 PolarHBondContact O-N 3.39Å; T69-S72 PolarHBondContact O-N 3.1Å
70	N	32.4	Very low	32.8	Very low	155 Å²	155	103.3 Å²	103.3	83%	0.829	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	6	-176.9	-99.9	-17.1	0	0	0	115
71	E	28.4	Very low	31.8	Very low	181 Å²	181	107.4 Å²	107.4	85%	0.846	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-5.1	-175.5	-59.1	-166.9	118.5	0	0	113.5	T69	T69-E71 PolarHBondContact O-N 3.39Å
72	S	34	Very low	30.9	Very low	81 Å²	81	113.9 Å²	113.9	57%	0.566	67%	0.665	S	S	*	*			trans	-104.5	16.5	-176.1	-47	0	0	0	0	115.5	T69 G74	T69-S72 PolarHBondContact O-N 3.1Å; S72-G74 PolarHBondContact O-N 3.23Å
73	L	37.2	Very low	30.2	Very low	142 Å²	142	112.5 Å²	112.5	74%	0.743	67%	0.666	S	S	*	*			trans	-77.8	-0.2	175.4	-79	162.4	0	0	0	113.6
74	G	27.8	Very low	30.1	Very low	51 Å²	51	110.6 Å²	110.6	53%	0.526	66%	0.663	S	S	.	*	S	Bend	trans	-98.4	126.5	174.6	0	0	0	0	0	112.2	S72	S72-G74 PolarHBondContact O-N 3.23Å
75	E	28.8	Very low	30	Very low	194 Å²	194	105.5 Å²	105.5	91%	0.907	64%	0.638	S	S	*	*			trans	63.7	78.1	150.7	-56.1	-178	132.6	0	0	117.3
76	T	30	Very low	29.7	Very low	92 Å²	92	105.7 Å²	105.7	56%	0.564	65%	0.645	S	S	*	*			trans	-130.7	95	151.3	25.6	0	0	0	0	110.6	G78	T76-G78 PolarHBondContact O-N 3.21Å
77	N	28.3	Very low	29.7	Very low	160 Å²	160	102.8 Å²	102.8	86%	0.856	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	31.2	86.7	150.5	-68.5	-40.5	0	0	0	115.9	V79	N77-V79 PolarHBondContact O-N 2.69Å
78	G	25.6	Very low	29.6	Very low	91 Å²	91	101.6 Å²	101.6	94%	0.938	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	9	156.3	0	0	0	0	0	117.7	T76	T76-G78 PolarHBondContact O-N 3.21Å
79	V	27.5	Very low	29.4	Very low	98 Å²	98	99.2 Å²	99.2	59%	0.594	60%	0.604	S	S	*	*			trans	-128.4	90.5	174.7	-166.7	0	0	0	0	107.9	N77 L81	N77-V79 PolarHBondContact O-N 2.69Å; V79-L81 PolarHBondContact O-N 3.25Å
80	G	26.3	Very low	29.3	Very low	72 Å²	72	100.7 Å²	100.7	74%	0.742	62%	0.618	S	S	*	*			trans	-56.5	104	-179.2	0	0	0	0	0	111.9	H82	G80-H82 PolarHBondContact O-N 3.24Å
81	L	29.4	Very low	29.1	Very low	94 Å²	94	96.4 Å²	96.4	49%	0.492	60%	0.599	S	S	.	*			trans	-76.3	59.9	167.2	-81.7	156	0	0	0	109.3	V79	V79-L81 PolarHBondContact O-N 3.25Å
82	H	26.6	Very low	29	Very low	192 Å²	192	93.5 Å²	93.5	89%	0.889	60%	0.599	S	S	*	*			trans	-91.6	113.2	172.1	-90.5	-133.3	0	0	0	109.2	G80	G80-H82 PolarHBondContact O-N 3.24Å
83	G	28.4	Very low	28.5	Very low	46 Å²	46	94 Å²	94	47%	0.474	60%	0.603	S	S	.	*			trans	97.7	60.6	164.7	0	0	0	0	0	116.2	T85	G83-T85 VanDerWaalsContact C-N 3.32Å; G83-T85 PolarHBondContact O-N 3.28Å; G83-T85 VanDerWaalsContact O-N 3.16Å
84	Q	31.1	Very low	28.1	Very low	103 Å²	103	94.2 Å²	94.2	48%	0.481	60%	0.601	S	S	.	*			trans	-77.5	85.5	157.5	-71	-169.3	43.7	0	0	109.1	A86	Q84-A86 PolarHBondContact O-N 3.28Å
85	T	30.9	Very low	28.4	Very low	50 Å²	50	93.3 Å²	93.3	31%	0.307	59%	0.593	S	S	.	*	B	Isolated β-bridge	trans	-89	90	168.9	-48	0	0	0	0	107.9	C26 G27 R28 S29 G83 C87	C26-T85 PolarHBondContact O-OG1 2.95Å; G27-T85 VanDerWaalsContact C-OG1 3.22Å; G27-T85 WeakPolarHBondContact O-CB 3.47Å; G27-T85 PolarHBondContact O-N 3.44Å; G27-T85 PolarHBondContact O-OG1 2.98Å; G27-T85 VanDerWaalsContact O-OG1 3.1Å; R28-T85 HydrophobicContact CG-CG2 4.24Å; S29-T85 VanDerWaalsContact CB-O 3.29Å; S29-T85 WeakPolarHBondContact CB-O 3.35Å; G83-T85 VanDerWaalsContact C-N 3.32Å; G83-T85 PolarHBondContact O-N 3.28Å; G83-T85 VanDerWaalsContact O-N 3.16Å; T85-C87 PolarHBondContact O-N 3.16Å
86	A	27.8	Very low	28.5	Very low	53 Å²	53	88.5 Å²	88.5	44%	0.438	57%	0.572	S	S	.	*			trans	-65.3	111.1	166.7	0	0	0	0	0	108.5	Q84 C88	Q84-A86 PolarHBondContact O-N 3.28Å; A86-C88 PolarHBondContact O-N 3.23Å
87	C	29.9	Very low	28.7	Very low	40 Å²	40	85.6 Å²	85.6	27%	0.27	56%	0.558	S	S	.	*			trans	-83.9	95.7	168.5	-132.4	0	0	0	0	107.9	V31 S32 T85 C89	V31-C87 HydrophobicContact CB-CB 4.36Å; V31-C87 HydrophobicContact CG1-CB 4.03Å; S32-C87 WeakPolarHBondContact CA-SG 3.29Å; S32-C87 WeakPolarHBondContact CB-SG 3.09Å; S32-C87 PolarHBondContact OG-SG 2.99Å; S32-C87 VanDerWaalsContact OG-SG 3.39Å; T85-C87 PolarHBondContact O-N 3.16Å; C87-C89 PolarHBondContact O-N 2.74Å
88	C	27	Very low	29	Very low	78 Å²	78	79.7 Å²	79.7	53%	0.527	53%	0.526	S	S	.	.			trans	-72.9	101.1	165.7	-83.8	0	0	0	0	108.9	A86 S90 C91	A86-C88 PolarHBondContact O-N 3.23Å; C88-S90 VanDerWaalsContact C-N 3.33Å; C88-S90 PolarHBondContact O-N 3.38Å; C88-C91 PolarHBondContact SG-O 2.97Å; C88-C91 VanDerWaalsContact SG-O 3.35Å
89	C	29.8	Very low	29.5	Very low	24 Å²	24	83.3 Å²	83.3	16%	0.162	51%	0.511	C	S	.	.	S	Bend	trans	-76.4	92	151.5	-70.3	0	0	0	0	107.5	V35 C43 C87 C91	V35-C89 WeakPolarHBondContact CG2-SG 3.26Å; C43-C89 HydrophobicContact CB-CB 3.29Å; C43-C89 WeakPolarHBondContact CB-SG 3.21Å; C43-C89 WeakPolarHBondContact SG-CB 3.34Å; C43-C89 CovalentContact SG-SG 2.04Å; C43-C89 PolarHBondContact SG-SG 3.4Å; C87-C89 PolarHBondContact O-N 2.74Å; C89-C91 PolarHBondContact O-N 3.35Å; C89-C91 PolarHBondContact O-SG 2.92Å
90	S	28.7	Very low	30	Very low	118 Å²	118	81.3 Å²	81.3	83%	0.825	50%	0.499	S	S	*	.	S	Bend	trans	52.2	7	171.9	-162.6	0	0	0	0	118.4	C88 S92	C88-S90 VanDerWaalsContact C-N 3.33Å; C88-S90 PolarHBondContact O-N 3.38Å; S90-S92 PolarHBondContact O-N 3.25Å
91	C	28	Very low	30.3	Very low	65 Å²	65	86.4 Å²	86.4	44%	0.439	50%	0.496	S	S	.	.			trans	-86.9	90.7	177.3	-61.9	0	0	0	0	109.3	C88 C89 S93	C88-C91 PolarHBondContact SG-O 2.97Å; C88-C91 VanDerWaalsContact SG-O 3.35Å; C89-C91 PolarHBondContact O-N 3.35Å; C89-C91 PolarHBondContact O-SG 2.92Å; C91-S93 PolarHBondContact O-N 3.46Å
92	S	24.9	Very low	30.6	Very low	119 Å²	119	86.5 Å²	86.5	83%	0.832	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	22.6	-178.2	-54.8	0	0	0	0	116.6	S90	S90-S92 PolarHBondContact O-N 3.25Å
93	S	25.4	Very low	31.1	Very low	93 Å²	93	83 Å²	83	65%	0.65	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.6	4.9	-177.5	30.1	0	0	0	0	118.4	C91	C91-S93 PolarHBondContact O-N 3.46Å
94	M	27.7	Very low	31.4	Very low	145 Å²	145	84.9 Å²	84.9	71%	0.714	50%	0.503	S	S	*	.			trans	-135.1	105.8	-177.8	-98.3	177.2	-119.3	0	0	113.3
95	G	33.4	Very low	31.7	Very low	33 Å²	33	82.3 Å²	82.3	34%	0.34	50%	0.5	S	S	.	.			trans	-83.4	114.4	166	0	0	0	0	0	110.2
96	I	32.3	Very low	31.7	Very low	92 Å²	92	82.6 Å²	82.6	47%	0.472	51%	0.507	S	S	.	.			trans	-95.2	112.1	172.6	-57.8	174.2	0	0	0	108.1	V62 L98	V62-I96 HydrophobicContact CG1-CG2 4.31Å; I96-L98 HydrophobicContact CG2-CD2 3.88Å; I96-L98 HydrophobicContact CG2-CG 4.33Å
97	A	34.2	Very low	32	Very low	32 Å²	32	86.7 Å²	86.7	26%	0.264	53%	0.53	S	S	.	.			trans	-86.6	126.4	168.7	0	0	0	0	0	109.7	V65	V65-A97 HydrophobicContact CB-CB 4.41Å; V65-A97 HydrophobicContact CG2-CB 3.64Å
98	L	34.9	Very low	32.1	Very low	36 Å²	36	88.7 Å²	88.7	19%	0.188	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	129.1	177.7	-65.1	176.5	0	0	0	110	L30 V31 L60 V62 I96	L30-L98 HydrophobicContact CB-CD1 3.85Å; V31-L98 HydrophobicContact CG2-CD1 3.53Å; V31-L98 HydrophobicContact CG2-CG 4.44Å; L60-L98 HydrophobicContact CD1-CB 4.17Å; L60-L98 HydrophobicContact CD1-CD1 4.01Å; L60-L98 HydrophobicContact CD1-CD2 4.02Å; L60-L98 HydrophobicContact CD1-CG 4.28Å; L60-L98 HydrophobicContact CD2-CD1 4.36Å; L60-L98 HydrophobicContact CD2-CD2 3.68Å; L60-L98 HydrophobicContact CG-CD2 3.96Å; V62-L98 HydrophobicContact CG2-CD2 4.22Å; I96-L98 HydrophobicContact CG2-CD2 3.88Å; I96-L98 HydrophobicContact CG2-CG 4.33Å
99	R	35.9	Very low	32.3	Very low	167 Å²	167	89.2 Å²	89.2	63%	0.63	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.7	122	167.1	-82.2	-172.6	169.3	-161.3	-1.5	108.9
100	T	37.2	Very low	32.5	Very low	55 Å²	55	94.1 Å²	94.1	34%	0.337	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	133.1	169.7	44.9	0	0	0	0	109.6	L30 W102	L30-T100 HydrophobicContact CD1-CG2 3.52Å; T100-W102 PolarHBondContact OG1-NE1 2.88Å
101	R	33.1	Very low	32.7	Very low	179 Å²	179	91 Å²	91	68%	0.675	56%	0.563	S	S	*	*			trans	-106.2	109.8	166.1	-76.6	-168.6	177.6	-141.2	0.3	107.3	P103	R101-P103 WeakPolarHBondContact O-CD 3.35Å
102	W	35.6	Very low	32.8	Very low	97 Å²	97	89.3 Å²	89.3	37%	0.367	56%	0.557	S	S	.	*			trans	-84.8	120.7	174.2	-67.9	92.4	0	0	0	109.4	V22 T100 G104 A105	V22-W102 HydrophobicContact CG2-CH2 4.31Å; V22-W102 HydrophobicContact CG2-CZ2 3.21Å; T100-W102 PolarHBondContact OG1-NE1 2.88Å; W102-G104 PolarHBondContact O-N 2.61Å; W102-A105 HydrophobicContact CB-CB 4Å; W102-A105 PolarHBondContact O-N 2.88Å
103	P	37.6	Very low	32.8	Very low	117 Å²	117	88.4 Å²	88.4	76%	0.76	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	117.1	170	25	-30.2	0	0	0	108.9	R101	R101-P103 WeakPolarHBondContact O-CD 3.35Å
104	G	34.8	Very low	33	Very low	86 Å²	86	88.5 Å²	88.5	89%	0.887	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.2	-5.5	-179.3	0	0	0	0	0	116.2	W102 A106	W102-G104 PolarHBondContact O-N 2.61Å; G104-A106 PolarHBondContact O-N 3.31Å
105	A	36.1	Very low	32.8	Very low	49 Å²	49	89.7 Å²	89.7	41%	0.405	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-77.3	118	170.7	0	0	0	0	0	110	W102	W102-A105 HydrophobicContact CB-CB 4Å; W102-A105 PolarHBondContact O-N 2.88Å
106	A	30.5	Very low	32.5	Very low	57 Å²	57	97.3 Å²	97.3	47%	0.471	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-58.7	144.2	175.9	0	0	0	0	0	110.6	G104 G108 V109	G104-A106 PolarHBondContact O-N 3.31Å; A106-G108 PolarHBondContact O-N 2.85Å; A106-G108 VanDerWaalsContact O-N 3.11Å; A106-V109 HydrophobicContact CB-CG2 3.84Å; A106-V109 PolarHBondContact O-N 3Å
107	P	34.6	Very low	32.2	Very low	139 Å²	139	96 Å²	96	90%	0.903	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	121	173.3	-19.5	29.4	0	0	0	109.6
108	G	33.2	Very low	31.9	Very low	82 Å²	82	102.6 Å²	102.6	85%	0.845	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.6	-0.4	-179	0	0	0	0	0	116	A106 T110	A106-G108 PolarHBondContact O-N 2.85Å; A106-G108 VanDerWaalsContact O-N 3.11Å; G108-T110 PolarHBondContact O-N 3.21Å
109	V	30.5	Very low	31.6	Very low	89 Å²	89	107.2 Å²	107.2	54%	0.539	65%	0.646	S	S	.	*			trans	-89.9	101.1	170.1	-179.1	0	0	0	0	109.1	A106 P111	A106-V109 HydrophobicContact CB-CG2 3.84Å; A106-V109 PolarHBondContact O-N 3Å; V109-P111 VanDerWaalsContact O-CD 3.29Å; V109-P111 WeakPolarHBondContact O-CD 3.17Å
110	T	33.6	Very low	31.3	Very low	126 Å²	126	102.9 Å²	102.9	77%	0.773	65%	0.646	S	S	*	*			trans	-69.1	114.8	165.2	-36.6	0	0	0	0	107.3	G108 G112	G108-T110 PolarHBondContact O-N 3.21Å; T110-G112 PolarHBondContact O-N 2.75Å
111	P	32.8	Very low	30.8	Very low	52 Å²	52	105.2 Å²	105.2	34%	0.338	67%	0.671	S	S	.	*			trans	-64.2	112.6	175.6	-14	28.4	0	0	0	107.6	V22 Q23 V109	V22-P111 HydrophobicContact CG1-CB 4.35Å; V22-P111 HydrophobicContact CG1-CG 4.44Å; Q23-P111 PolarHBondContact NE2-O 2.95Å; Q23-P111 PolarHBondContact OE1-O 3.2Å; V109-P111 VanDerWaalsContact O-CD 3.29Å; V109-P111 WeakPolarHBondContact O-CD 3.17Å
112	G	29.9	Very low	30.5	Very low	30 Å²	30	104.8 Å²	104.8	31%	0.309	68%	0.677	S	S	.	*			trans	89.5	46.8	140.1	0	0	0	0	0	122	Q23 T110 T114	Q23-G112 PolarHBondContact NE2-O 2.96Å; Q23-G112 PolarHBondContact OE1-O 2.96Å; T110-G112 PolarHBondContact O-N 2.75Å; G112-T114 PolarHBondContact O-N 3.11Å; G112-T114 PolarHBondContact O-OG1 3.28Å
113	A	26.4	Very low	30.1	Very low	100 Å²	100	108.6 Å²	108.6	83%	0.826	70%	0.698	S	S	*	*			trans	-62.5	72	159	0	0	0	0	0	110.5
114	T	28.4	Very low	29.9	Very low	95 Å²	95	109.4 Å²	109.4	58%	0.583	70%	0.701	S	S	*	*			trans	-93.2	101.7	174.8	36.4	0	0	0	0	106.5	G112 F116	G112-T114 PolarHBondContact O-N 3.11Å; G112-T114 PolarHBondContact O-OG1 3.28Å; T114-F116 PolarHBondContact O-N 2.7Å
115	H	24.3	Very low	30.1	Very low	170 Å²	170	119 Å²	119	79%	0.787	71%	0.713	S	S	*	*			trans	-47.1	97.1	165.6	-90.7	-109	0	0	0	110
116	F	26.4	Very low	29.7	Very low	193 Å²	193	122.5 Å²	122.5	85%	0.846	73%	0.728	S	S	*	*			trans	-113.7	98.8	163.2	-91.6	-88.2	0	0	0	107.6	T114	T114-F116 PolarHBondContact O-N 2.7Å
117	G	27.3	Very low	29.7	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	74%	0.741	S	S	*	*			trans	91	34.8	157.1	0	0	0	0	0	118.4	T119	G117-T119 PolarHBondContact O-N 3.12Å
118	E	25.9	Very low	29.4	Very low	169 Å²	169	125.2 Å²	125.2	79%	0.79	73%	0.733	S	S	*	*			trans	-72	71.2	152.1	-163.5	174.8	129.4	0	0	108.6	A120	E118-A120 PolarHBondContact O-N 2.89Å; E118-A120 VanDerWaalsContact O-N 3.12Å
119	T	30.2	Very low	29.2	Very low	134 Å²	134	127.7 Å²	127.7	82%	0.822	73%	0.726	S	S	*	*			trans	-75.8	85.1	152	28.6	0	0	0	0	107.2	G117 A121	G117-T119 PolarHBondContact O-N 3.12Å; T119-A121 PolarHBondContact O-N 3.09Å
120	A	29.1	Very low	29.1	Very low	75 Å²	75	130.1 Å²	130.1	62%	0.62	74%	0.738	S	S	*	*			trans	39.8	76.8	143	0	0	0	0	0	116.8	E118 H122	E118-A120 PolarHBondContact O-N 2.89Å; E118-A120 VanDerWaalsContact O-N 3.12Å; A120-H122 PolarHBondContact O-N 3.41Å; A120-H122 VanDerWaalsContact O-N 3.09Å
121	A	27.2	Very low	28.8	Very low	105 Å²	105	130.4 Å²	130.4	87%	0.868	74%	0.735	S	S	*	*			trans	-78.7	64.5	148.2	0	0	0	0	0	109	T119	T119-A121 PolarHBondContact O-N 3.09Å
122	H	27	Very low	28.6	Very low	170 Å²	170	136 Å²	136	79%	0.787	76%	0.764	S	S	*	*			trans	-146	78.5	173.5	-123.9	-120.9	0	0	0	107.8	A120	A120-H122 PolarHBondContact O-N 3.41Å; A120-H122 VanDerWaalsContact O-N 3.09Å
123	Q	26.5	Very low	28.5	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	80%	0.798	S	S	*	*			trans	-134.2	86.9	157.3	-76.6	-159.9	28.6	0	0	108
124	T	32.7	Very low	28.6	Very low	134 Å²	134	147.8 Å²	147.8	82%	0.822	80%	0.796	S	S	*	*			trans	-69.1	125.5	151.8	31	0	0	0	0	108.2
125	Y	38.4	Very low	28.6	Very low	286 Å²	286	152.6 Å²	152.6	100%	1.122	82%	0.816	S	S	*	*			trans	-87.9	0	152.6	-103.4	-84.2	0	0	0	109.1

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