A0A077ZKX4_TRITR Loading...

6-pyruvoyltetrahydropterin synthase

AlphaFold DB , UniProt , Accession A0A077ZKX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 102 aa.

						>A0A077ZKX4_TRITR|A0A077ZKX4
MPHDNLLSVEENAATFSRCSNPNGHWHNYKGMQLNTVIAPLDHKCLDLDVEFFKTHSITTENFTVYIWNQLIECMPKPDILYEVTVHETETNSVTYRGEVNA
					

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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	38.2	Very low	50.1	Low	220 Å²	220	129.3 Å²	129.3	100%	1.084	68%	0.683	S	S	*	*				0	104.5	0	-46.5	-64.7	-164.5	0	0	107.8
2	P	37.9	Very low	50.3	Low	116 Å²	116	122.8 Å²	122.8	75%	0.753	65%	0.649	S	S	*	*			trans	-75.3	128.2	166.3	30.4	-26.9	0	0	0	108.2	D4	P2-D4 PolarHBondContact O-N 3.27Å
3	H	49.7	Very low	50.7	Low	177 Å²	177	116.6 Å²	116.6	82%	0.819	63%	0.626	S	S	*	*			trans	-76.8	102.3	170.3	-66.8	90.3	0	0	0	106.9	N5	H3-N5 VanDerWaalsContact C-N 3.28Å; H3-N5 PolarHBondContact O-N 2.94Å
4	D	44.4	Very low	51.3	Low	137 Å²	137	113.8 Å²	113.8	73%	0.733	63%	0.627	S	S	*	*			trans	-70.3	90.4	169.7	-103.3	-80.8	0	0	0	108.6	P2 L6	P2-D4 PolarHBondContact O-N 3.27Å; D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.04Å
5	N	47	Very low	51.1	Low	110 Å²	110	112.5 Å²	112.5	59%	0.588	62%	0.624	S	S	*	*			trans	-77	81.1	-180	-169.2	52.7	0	0	0	109.1	H3 L7	H3-N5 VanDerWaalsContact C-N 3.28Å; H3-N5 PolarHBondContact O-N 2.94Å; N5-L7 PolarHBondContact ND2-O 3.17Å; N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 VanDerWaalsContact O-N 3.12Å
6	L	55.1	Low	51.1	Low	156 Å²	156	110.6 Å²	110.6	82%	0.817	61%	0.607	S	S	*	*			trans	-71.2	6.2	-179.9	-70.3	171	0	0	0	114.3	D4	D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.04Å
7	L	55.1	Low	51.4	Low	63 Å²	63	109.1 Å²	109.1	33%	0.33	61%	0.606	S	S	.	*	S	Bend	trans	-129.7	127.8	175.7	-68.2	164.6	0	0	0	109.3	N5 E11 F16	N5-L7 PolarHBondContact ND2-O 3.17Å; N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 VanDerWaalsContact O-N 3.12Å; L7-E11 HydrophobicContact CB-CB 4.18Å; L7-E11 HydrophobicContact CD2-CB 3.93Å; L7-F16 HydrophobicContact CD1-CE2 4.27Å
8	S	51.4	Low	51.2	Low	66 Å²	66	115.8 Å²	115.8	46%	0.462	62%	0.621	S	S	.	*			trans	-58.8	153	171.8	-53.2	0	0	0	0	109.9	E10 E11 N12	S8-E10 PolarHBondContact O-N 2.79Å; S8-E11 VanDerWaalsContact CB-OE2 3.24Å; S8-E11 WeakPolarHBondContact CB-OE2 3.43Å; S8-E11 PolarHBondContact N-OE2 2.87Å; S8-E11 PolarHBondContact O-N 2.93Å; S8-E11 PolarHBondContact OG-OE2 3.23Å; S8-N12 PolarHBondContact O-N 3.22Å
9	V	57.8	Low	51.1	Low	120 Å²	120	112.2 Å²	112.2	73%	0.727	61%	0.605	S	S	*	*	H	α-helix	trans	-51.2	-34.4	178.2	176	0	0	0	0	111.6	A13	V9-A13 VanDerWaalsContact O-CB 3.28Å; V9-A13 WeakPolarHBondContact O-CB 3.46Å; V9-A13 PolarHBondContact O-N 3.11Å
10	E	58.3	Low	51.1	Low	164 Å²	164	109.3 Å²	109.3	77%	0.766	59%	0.594	S	S	*	*	H	α-helix	trans	-71.8	-39.2	176.7	-63.2	-178	86.7	0	0	113.2	S8 N12 A13 A14	S8-E10 PolarHBondContact O-N 2.79Å; E10-N12 VanDerWaalsContact C-N 3.35Å; E10-A13 PolarHBondContact O-N 3.12Å; E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.04Å
11	E	56.9	Low	51	Low	93 Å²	93	107.8 Å²	107.8	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-69.9	-36.6	175.5	-65.5	175.4	93.7	0	0	111.1	L7 S8 A14 T15	L7-E11 HydrophobicContact CB-CB 4.18Å; L7-E11 HydrophobicContact CD2-CB 3.93Å; S8-E11 VanDerWaalsContact CB-OE2 3.24Å; S8-E11 WeakPolarHBondContact CB-OE2 3.43Å; S8-E11 PolarHBondContact N-OE2 2.87Å; S8-E11 PolarHBondContact O-N 2.93Å; S8-E11 PolarHBondContact OG-OE2 3.23Å; E11-A14 PolarHBondContact O-N 2.92Å; E11-T15 VanDerWaalsContact O-CB 3.22Å; E11-T15 WeakPolarHBondContact O-CB 3.49Å; E11-T15 PolarHBondContact O-N 2.89Å; E11-T15 PolarHBondContact O-OG1 3.49Å
12	N	52.2	Low	51.6	Low	51 Å²	51	103.3 Å²	103.3	27%	0.273	57%	0.573	S	S	.	*	H	α-helix	trans	-67.6	-39.7	173.6	-141.5	34.7	0	0	0	110.3	S8 E10 F16	S8-N12 PolarHBondContact O-N 3.22Å; E10-N12 VanDerWaalsContact C-N 3.35Å; N12-F16 HydrophobicContact CB-CD2 4.43Å; N12-F16 WeakPolarHBondContact O-CA 3.38Å; N12-F16 WeakPolarHBondContact O-CB 3.24Å; N12-F16 VanDerWaalsContact O-CD2 3.24Å; N12-F16 WeakPolarHBondContact O-CD2 3.43Å; N12-F16 PolarHBondContact O-N 3.05Å; N12-F16 WeakPolarHBondContact OD1-CD2 3.42Å; N12-F16 WeakPolarHBondContact OD1-CE2 3.49Å
13	A	55.8	Low	52.2	Low	43 Å²	43	104.9 Å²	104.9	36%	0.355	58%	0.575	S	S	.	*	H	α-helix	trans	-70.2	-36.6	175.2	0	0	0	0	0	113	V9 E10 S17	V9-A13 VanDerWaalsContact O-CB 3.28Å; V9-A13 WeakPolarHBondContact O-CB 3.46Å; V9-A13 PolarHBondContact O-N 3.11Å; E10-A13 PolarHBondContact O-N 3.12Å; A13-S17 WeakPolarHBondContact O-CA 3.27Å; A13-S17 PolarHBondContact O-N 3.33Å
14	A	58.1	Low	52	Low	77 Å²	77	98.7 Å²	98.7	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-68.7	-43.2	176.4	0	0	0	0	0	111.6	E10 E11	E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.04Å; E11-A14 PolarHBondContact O-N 2.92Å
15	T	49.4	Very low	52.1	Low	94 Å²	94	96 Å²	96	58%	0.577	54%	0.541	S	S	*	.	H	α-helix	trans	-74.6	-42.4	-179.4	-54	0	0	0	0	111.9	E11	E11-T15 VanDerWaalsContact O-CB 3.22Å; E11-T15 WeakPolarHBondContact O-CB 3.49Å; E11-T15 PolarHBondContact O-N 2.89Å; E11-T15 PolarHBondContact O-OG1 3.49Å
16	F	49.8	Very low	51.6	Low	83 Å²	83	102.6 Å²	102.6	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-107.8	-4	-170.3	-58.3	-77	0	0	0	114.3	L7 N12 R18 C19	L7-F16 HydrophobicContact CD1-CE2 4.27Å; N12-F16 HydrophobicContact CB-CD2 4.43Å; N12-F16 WeakPolarHBondContact O-CA 3.38Å; N12-F16 WeakPolarHBondContact O-CB 3.24Å; N12-F16 VanDerWaalsContact O-CD2 3.24Å; N12-F16 WeakPolarHBondContact O-CD2 3.43Å; N12-F16 PolarHBondContact O-N 3.05Å; N12-F16 WeakPolarHBondContact OD1-CD2 3.42Å; N12-F16 WeakPolarHBondContact OD1-CE2 3.49Å; F16-R18 PolarHBondContact O-N 3.06Å; F16-C19 HydrophobicContact CB-CB 4.06Å; F16-C19 WeakPolarHBondContact O-CB 3.29Å; F16-C19 PolarHBondContact O-N 2.9Å; F16-C19 PolarHBondContact O-SG 3.19Å
17	S	56.6	Low	51.2	Low	84 Å²	84	97.1 Å²	97.1	59%	0.587	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	38.5	-100.7	174.1	-76	0	0	0	0	113	A13 C19	A13-S17 WeakPolarHBondContact O-CA 3.27Å; A13-S17 PolarHBondContact O-N 3.33Å; S17-C19 VanDerWaalsContact C-N 3.26Å; S17-C19 PolarHBondContact O-N 3.23Å
18	R	47.5	Very low	50.4	Low	231 Å²	231	101.2 Å²	101.2	87%	0.872	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-76.2	-8	-173.6	-54.9	-180	-143.5	164.6	7.5	114	F16	F16-R18 PolarHBondContact O-N 3.06Å
19	C	50.7	Low	50.3	Low	46 Å²	46	103.5 Å²	103.5	31%	0.311	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-88.1	-11.5	-177.8	-40	0	0	0	0	113.3	F16 S17 N21 H27	F16-C19 HydrophobicContact CB-CB 4.06Å; F16-C19 WeakPolarHBondContact O-CB 3.29Å; F16-C19 PolarHBondContact O-N 2.9Å; F16-C19 PolarHBondContact O-SG 3.19Å; S17-C19 VanDerWaalsContact C-N 3.26Å; S17-C19 PolarHBondContact O-N 3.23Å; C19-N21 PolarHBondContact O-N 3.25Å; C19-H27 VanDerWaalsContact SG-CE1 3.5Å; C19-H27 PolarHBondContact SG-NE2 3.2Å
20	S	50.1	Low	49.6	Very low	55 Å²	55	107.2 Å²	107.2	39%	0.385	56%	0.556	S	S	.	*			trans	-85.1	32.9	-178.8	-73.9	0	0	0	0	114	P22	S20-P22 WeakPolarHBondContact O-CD 3.25Å
21	N	50.3	Low	49.2	Very low	78 Å²	78	101.3 Å²	101.3	42%	0.417	54%	0.539	S	S	.	.			trans	-77.1	122.3	177.8	-174.7	35.5	0	0	0	111.3	C19 N23 G24	C19-N21 PolarHBondContact O-N 3.25Å; N21-N23 PolarHBondContact O-N 3.17Å; N21-N23 VanDerWaalsContact O-N 3.17Å; N21-G24 PolarHBondContact ND2-O 3.48Å; N21-G24 PolarHBondContact O-N 2.89Å
22	P	50.4	Low	48.9	Very low	126 Å²	126	102.4 Å²	102.4	82%	0.818	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.6	-179.2	23.3	-32.9	0	0	0	114.4	S20 G24	S20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-G24 PolarHBondContact O-N 2.96Å
23	N	49.3	Very low	49.3	Very low	149 Å²	149	101.6 Å²	101.6	80%	0.797	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	9.6	174.1	-66.7	-50.7	0	0	0	113.6	N21	N21-N23 PolarHBondContact O-N 3.17Å; N21-N23 VanDerWaalsContact O-N 3.17Å
24	G	45.8	Very low	49.7	Very low	46 Å²	46	102.4 Å²	102.4	47%	0.474	54%	0.538	S	S	.	.			trans	69	167.2	-167.9	0	0	0	0	0	111.7	N21 P22	N21-G24 PolarHBondContact ND2-O 3.48Å; N21-G24 PolarHBondContact O-N 2.89Å; P22-G24 PolarHBondContact O-N 2.96Å
25	H	47.4	Very low	50.2	Low	81 Å²	81	103.6 Å²	103.6	38%	0.375	53%	0.534	S	S	.	.			trans	-153.1	162.3	172	115.4	-43.2	0	0	0	108	H27	H25-H27 AromaticContact CE1-CD2 2.87Å; H25-H27 PolarHBondContact CE1-CD2 3.24Å; H25-H27 AromaticContact CE1-CE1 3.45Å; H25-H27 PolarHBondContact CE1-CE1 3.38Å; H25-H27 VanDerWaalsContact CE1-CE1 3.45Å; H25-H27 AromaticContact CE1-CG 3.17Å; H25-H27 PolarHBondContact CE1-N 3.3Å; H25-H27 AromaticContact CE1-ND1 3.53Å; H25-H27 AromaticContact CE1-NE2 3.05Å; H25-H27 PolarHBondContact CE1-NE2 3.45Å; H25-H27 AromaticContact ND1-NE2 3.93Å; H25-H27 AromaticContact NE2-CD2 3.06Å; H25-H27 PolarHBondContact NE2-CD2 2.91Å; H25-H27 AromaticContact NE2-CG 3.78Å; H25-H27 AromaticContact NE2-NE2 3.37Å; H25-H27 PolarHBondContact NE2-NE2 2.86Å
26	W	35.8	Very low	51.1	Low	248 Å²	248	103.5 Å²	103.5	94%	0.939	53%	0.533	S	S	*	.			trans	-104.5	116.9	-179.8	-28.7	85.9	0	0	0	109.7
27	H	46.3	Very low	52.4	Low	41 Å²	41	99.9 Å²	99.9	19%	0.19	52%	0.518	C	S	.	.			trans	-84.8	131.4	173.3	-84.9	133	0	0	0	109.4	C19 H25 Y29 M32	C19-H27 VanDerWaalsContact SG-CE1 3.5Å; C19-H27 PolarHBondContact SG-NE2 3.2Å; H25-H27 AromaticContact CE1-CD2 2.87Å; H25-H27 PolarHBondContact CE1-CD2 3.24Å; H25-H27 AromaticContact CE1-CE1 3.45Å; H25-H27 PolarHBondContact CE1-CE1 3.38Å; H25-H27 VanDerWaalsContact CE1-CE1 3.45Å; H25-H27 AromaticContact CE1-CG 3.17Å; H25-H27 PolarHBondContact CE1-N 3.3Å; H25-H27 AromaticContact CE1-ND1 3.53Å; H25-H27 AromaticContact CE1-NE2 3.05Å; H25-H27 PolarHBondContact CE1-NE2 3.45Å; H25-H27 AromaticContact ND1-NE2 3.93Å; H25-H27 AromaticContact NE2-CD2 3.06Å; H25-H27 PolarHBondContact NE2-CD2 2.91Å; H25-H27 AromaticContact NE2-CG 3.78Å; H25-H27 AromaticContact NE2-NE2 3.37Å; H25-H27 PolarHBondContact NE2-NE2 2.86Å; H27-Y29 HydrophobicContact CB-CD1 3.92Å; H27-Y29 HydrophobicContact CB-CD2 3.89Å; H27-Y29 HydrophobicContact CB-CE1 3.86Å; H27-Y29 HydrophobicContact CB-CE2 3.81Å; H27-Y29 HydrophobicContact CB-CG 3.93Å; H27-Y29 AromaticContact ND1-CE1 3.98Å; H27-Y29 WeakPolarHBondContact O-CD2 3.32Å; H27-Y29 PolarHBondContact O-N 3.2Å; H27-M32 WeakPolarHBondContact CD2-CE 3.24Å
28	N	37.8	Very low	53.3	Low	149 Å²	149	99.1 Å²	99.1	80%	0.797	51%	0.507	S	S	*	.			trans	-67.1	84	148.1	-78.4	-29.8	0	0	0	107	K30	N28-K30 PolarHBondContact O-N 3.43Å
29	Y	49.8	Very low	54.6	Low	114 Å²	114	90.7 Å²	90.7	45%	0.447	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-10.2	-179.9	-68.4	-83.6	0	0	0	113.6	H27 G31 I80	H27-Y29 HydrophobicContact CB-CD1 3.92Å; H27-Y29 HydrophobicContact CB-CD2 3.89Å; H27-Y29 HydrophobicContact CB-CE1 3.86Å; H27-Y29 HydrophobicContact CB-CE2 3.81Å; H27-Y29 HydrophobicContact CB-CG 3.93Å; H27-Y29 AromaticContact ND1-CE1 3.98Å; H27-Y29 WeakPolarHBondContact O-CD2 3.32Å; H27-Y29 PolarHBondContact O-N 3.2Å; Y29-G31 PolarHBondContact O-N 3.04Å; Y29-I80 HydrophobicContact CE1-CD1 4.15Å; Y29-I80 WeakPolarHBondContact OH-CD1 2.99Å
30	K	44.2	Very low	55.7	Low	199 Å²	199	91.4 Å²	91.4	87%	0.865	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-7.4	179.5	-128.5	-179.1	-177	-175.3	0	115.5	N28	N28-K30 PolarHBondContact O-N 3.43Å
31	G	50	Low	56.8	Low	39 Å²	39	89.6 Å²	89.6	40%	0.402	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-53.1	-174.7	0	0	0	0	0	116.1	Y29 N35	Y29-G31 PolarHBondContact O-N 3.04Å; G31-N35 WeakPolarHBondContact O-CB 3Å; G31-N35 PolarHBondContact O-N 3.01Å
32	M	49.9	Very low	57.9	Low	116 Å²	116	91 Å²	91	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-74.6	-49.5	-161.5	-77.5	-177	-78.4	0	0	114.7	H27 N35 T36	H27-M32 WeakPolarHBondContact CD2-CE 3.24Å; M32-N35 PolarHBondContact O-N 2.88Å; M32-T36 PolarHBondContact O-N 2.75Å; M32-T36 PolarHBondContact O-OG1 2.92Å
33	Q	59.7	Low	58.8	Low	35 Å²	35	93.8 Å²	93.8	16%	0.164	49%	0.485	C	S	.	.	H	α-helix	trans	-78.2	-35.9	-178.2	-62.9	-167.7	-1	0	0	112.1	N35 T36 V37 L71	Q33-N35 VanDerWaalsContact C-N 3.26Å; Q33-N35 PolarHBondContact O-N 3.48Å; Q33-T36 WeakPolarHBondContact O-CB 3.03Å; Q33-T36 PolarHBondContact O-N 2.9Å; Q33-T36 VanDerWaalsContact O-N 3.11Å; Q33-V37 PolarHBondContact O-N 2.89Å; Q33-L71 HydrophobicContact CB-CD2 4.04Å
34	L	65.8	Low	60	Low	59 Å²	59	91.3 Å²	91.3	31%	0.309	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-39.8	172.8	-170.5	66.2	0	0	0	110.7	T36 V37 I38 I67	L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.33Å; L34-V37 PolarHBondContact O-N 2.85Å; L34-V37 VanDerWaalsContact O-N 3.17Å; L34-I38 HydrophobicContact CD1-CD1 3.78Å; L34-I38 HydrophobicContact CD1-CG1 4.05Å; L34-I38 HydrophobicContact CD2-CD1 3.81Å; L34-I38 HydrophobicContact CG-CD1 3.43Å; L34-I38 VanDerWaalsContact CG-CD1 3.43Å; L34-I38 HydrophobicContact CG-CG1 3.98Å; L34-I38 VanDerWaalsContact O-CB 3.31Å; L34-I38 WeakPolarHBondContact O-CB 3.12Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.84Å; L34-I67 HydrophobicContact CD1-CG2 4.02Å
35	N	67	Low	61.4	Low	102 Å²	102	91.9 Å²	91.9	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-33.5	175.1	-169.1	68.3	0	0	0	112.9	G31 M32 Q33 V37 I38 A39	G31-N35 WeakPolarHBondContact O-CB 3Å; G31-N35 PolarHBondContact O-N 3.01Å; M32-N35 PolarHBondContact O-N 2.88Å; Q33-N35 VanDerWaalsContact C-N 3.26Å; Q33-N35 PolarHBondContact O-N 3.48Å; N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 2.81Å; N35-I38 PolarHBondContact O-N 2.83Å; N35-A39 WeakPolarHBondContact O-CA 3.22Å; N35-A39 WeakPolarHBondContact O-CB 3.28Å; N35-A39 PolarHBondContact O-N 2.82Å
36	T	69.7	Low	62.8	Low	92 Å²	92	89.3 Å²	89.3	56%	0.564	45%	0.453	S	S	*	.	H	α-helix	trans	-63	-35.2	173.4	-57.4	0	0	0	0	112.1	M32 Q33 L34 P40	M32-T36 PolarHBondContact O-N 2.75Å; M32-T36 PolarHBondContact O-OG1 2.92Å; Q33-T36 WeakPolarHBondContact O-CB 3.03Å; Q33-T36 PolarHBondContact O-N 2.9Å; Q33-T36 VanDerWaalsContact O-N 3.11Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.33Å; T36-P40 WeakPolarHBondContact O-CD 3.35Å; T36-P40 WeakPolarHBondContact O-CG 3.33Å
37	V	76.3	Confident	64.5	Low	7 Å²	7	80.9 Å²	80.9	4%	0.042	43%	0.426	C	S	.	.	H	α-helix	trans	-81.8	-39.2	177.5	-179.4	0	0	0	0	111.8	Q33 L34 N35 P40 L41 I67 Q70 L71	Q33-V37 PolarHBondContact O-N 2.89Å; L34-V37 PolarHBondContact O-N 2.85Å; L34-V37 VanDerWaalsContact O-N 3.17Å; N35-V37 VanDerWaalsContact C-N 3.26Å; N35-V37 PolarHBondContact O-N 2.81Å; V37-P40 WeakPolarHBondContact O-CD 3.2Å; V37-P40 WeakPolarHBondContact O-CG 3.24Å; V37-L41 HydrophobicContact CG1-CD1 4.44Å; V37-L41 VanDerWaalsContact O-CD1 3.29Å; V37-L41 WeakPolarHBondContact O-CD1 3.29Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.44Å; V37-I67 HydrophobicContact CG1-CD1 3.43Å; V37-I67 VanDerWaalsContact CG1-CD1 3.43Å; V37-I67 HydrophobicContact CG1-CG2 4.49Å; V37-Q70 HydrophobicContact CB-CB 4.25Å; V37-Q70 HydrophobicContact CG1-CB 3.48Å; V37-Q70 VanDerWaalsContact CG1-CB 3.48Å; V37-Q70 HydrophobicContact CG1-CG 3.96Å; V37-Q70 HydrophobicContact CG2-CB 3.7Å; V37-L71 HydrophobicContact CG2-CD2 4.08Å; V37-L71 HydrophobicContact CG2-CG 4.34Å
38	I	75.9	Confident	65.8	Low	69 Å²	69	84.4 Å²	84.4	35%	0.354	45%	0.446	S	S	.	.	H	α-helix	trans	-80	-40.2	-176.3	-67.7	-176	0	0	0	112.3	L34 N35 P40 L41 D42	L34-I38 HydrophobicContact CD1-CD1 3.78Å; L34-I38 HydrophobicContact CD1-CG1 4.05Å; L34-I38 HydrophobicContact CD2-CD1 3.81Å; L34-I38 HydrophobicContact CG-CD1 3.43Å; L34-I38 VanDerWaalsContact CG-CD1 3.43Å; L34-I38 HydrophobicContact CG-CG1 3.98Å; L34-I38 VanDerWaalsContact O-CB 3.31Å; L34-I38 WeakPolarHBondContact O-CB 3.12Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.84Å; N35-I38 PolarHBondContact O-N 2.83Å; I38-P40 VanDerWaalsContact C-CD 3.5Å; I38-L41 CarbonylContact O-C 3.53Å; I38-L41 WeakPolarHBondContact O-CA 3.35Å; I38-L41 WeakPolarHBondContact O-CB 3.13Å; I38-L41 PolarHBondContact O-N 2.9Å; I38-D42 PolarHBondContact O-N 3.05Å
39	A	74.6	Confident	67.8	Low	53 Å²	53	81.7 Å²	81.7	44%	0.438	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.5	-178.5	0	0	0	0	0	114	N35 L41 D42	N35-A39 WeakPolarHBondContact O-CA 3.22Å; N35-A39 WeakPolarHBondContact O-CB 3.28Å; N35-A39 PolarHBondContact O-N 2.82Å; A39-L41 PolarHBondContact O-N 3.37Å; A39-D42 PolarHBondContact O-N 3.16Å
40	P	73	Confident	69.2	Low	62 Å²	62	76.7 Å²	76.7	40%	0.403	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9	175.5	30.3	-36.8	0	0	0	113.9	T36 V37 I38 K44	T36-P40 WeakPolarHBondContact O-CD 3.35Å; T36-P40 WeakPolarHBondContact O-CG 3.33Å; V37-P40 WeakPolarHBondContact O-CD 3.2Å; V37-P40 WeakPolarHBondContact O-CG 3.24Å; I38-P40 VanDerWaalsContact C-CD 3.5Å; P40-K44 WeakPolarHBondContact O-CD 3.49Å; P40-K44 WeakPolarHBondContact O-CE 3.44Å; P40-K44 PolarHBondContact O-NZ 3.13Å
41	L	74.6	Confident	71.1	Confident	17 Å²	17	75 Å²	75	9%	0.089	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-21.4	175.2	-57.5	171.4	0	0	0	112	V37 I38 A39 H43 K44 L46 V50 F63 Y66 I67	V37-L41 HydrophobicContact CG1-CD1 4.44Å; V37-L41 VanDerWaalsContact O-CD1 3.29Å; V37-L41 WeakPolarHBondContact O-CD1 3.29Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.44Å; I38-L41 CarbonylContact O-C 3.53Å; I38-L41 WeakPolarHBondContact O-CA 3.35Å; I38-L41 WeakPolarHBondContact O-CB 3.13Å; I38-L41 PolarHBondContact O-N 2.9Å; A39-L41 PolarHBondContact O-N 3.37Å; L41-H43 PolarHBondContact O-N 3.45Å; L41-K44 PolarHBondContact O-N 3.06Å; L41-L46 HydrophobicContact CB-CD2 4.34Å; L41-L46 HydrophobicContact CD2-CD2 3.9Å; L41-V50 HydrophobicContact CD2-CG2 3.67Å; L41-F63 HydrophobicContact CD1-CE2 3.93Å; L41-F63 HydrophobicContact CD1-CZ 4.09Å; L41-Y66 HydrophobicContact CD1-CD1 4.3Å; L41-Y66 HydrophobicContact CD1-CE1 3.72Å; L41-Y66 HydrophobicContact CD2-CE1 3.79Å; L41-Y66 HydrophobicContact CG-CE1 4.31Å; L41-I67 HydrophobicContact CD1-CD1 3.77Å
42	D	73.7	Confident	72.7	Confident	106 Å²	106	75.4 Å²	75.4	57%	0.567	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.7	175.9	-167.8	66	0	0	0	110.1	I38 A39 K44	I38-D42 PolarHBondContact O-N 3.05Å; A39-D42 PolarHBondContact O-N 3.16Å; D42-K44 VanDerWaalsContact C-N 3.28Å; D42-K44 PolarHBondContact O-N 2.87Å
43	H	68.3	Low	74.4	Confident	185 Å²	185	70.4 Å²	70.4	86%	0.856	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	18.9	-176.9	-79.5	76	0	0	0	117	L41	L41-H43 PolarHBondContact O-N 3.45Å
44	K	74.3	Confident	75.6	Confident	97 Å²	97	75.1 Å²	75.1	42%	0.422	39%	0.393	S	S	.	.			trans	-101.8	149.7	175.4	-67.6	-162.5	177.7	167.9	0	114.2	P40 L41 D42 L46 D49	P40-K44 WeakPolarHBondContact O-CD 3.49Å; P40-K44 WeakPolarHBondContact O-CE 3.44Å; P40-K44 PolarHBondContact O-NZ 3.13Å; L41-K44 PolarHBondContact O-N 3.06Å; D42-K44 VanDerWaalsContact C-N 3.28Å; D42-K44 PolarHBondContact O-N 2.87Å; K44-L46 PolarHBondContact O-N 2.83Å; K44-D49 HydrophobicContact CB-CB 4.08Å; K44-D49 HydrophobicContact CD-CB 3.73Å; K44-D49 HydrophobicContact CG-CB 4.32Å
45	C	75.3	Confident	76.5	Confident	58 Å²	58	77.7 Å²	77.7	39%	0.392	41%	0.412	S	S	.	.			trans	-84.3	98.2	167.1	-155.5	0	0	0	0	106.9	D47 L48 D49	C45-D47 PolarHBondContact O-N 2.86Å; C45-D47 VanDerWaalsContact O-N 3.15Å; C45-D47 PolarHBondContact SG-OD2 2.9Å; C45-L48 HydrophobicContact CB-CB 4.29Å; C45-L48 HydrophobicContact CB-CD1 4.25Å; C45-L48 HydrophobicContact CB-CG 4.39Å; C45-L48 PolarHBondContact O-N 3.41Å; C45-D49 PolarHBondContact N-OD2 2.99Å; C45-D49 PolarHBondContact O-N 2.87Å
46	L	76.1	Confident	77.4	Confident	28 Å²	28	76.8 Å²	76.8	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-55	-39.6	-168.5	-63.9	-177.9	0	0	0	112.3	L41 K44 L48 V50 F53 I58 F63	L41-L46 HydrophobicContact CB-CD2 4.34Å; L41-L46 HydrophobicContact CD2-CD2 3.9Å; K44-L46 PolarHBondContact O-N 2.83Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 3.3Å; L46-V50 HydrophobicContact CD2-CG2 3.93Å; L46-V50 WeakPolarHBondContact O-CB 3.38Å; L46-V50 PolarHBondContact O-N 3.45Å; L46-V50 VanDerWaalsContact O-N 3.15Å; L46-F53 HydrophobicContact CB-CD2 3.79Å; L46-F53 HydrophobicContact CB-CE2 4.26Å; L46-F53 HydrophobicContact CB-CG 4.29Å; L46-F53 HydrophobicContact CD1-CE2 4.23Å; L46-F53 HydrophobicContact CD2-CE2 4.48Å; L46-F53 WeakPolarHBondContact O-CB 3.49Å; L46-I58 HydrophobicContact CB-CD1 3.68Å; L46-I58 HydrophobicContact CB-CG1 4.23Å; L46-I58 HydrophobicContact CD1-CD1 3.91Å; L46-I58 HydrophobicContact CD1-CG1 4.07Å; L46-I58 HydrophobicContact CG-CD1 4.19Å; L46-F63 HydrophobicContact CD1-CD2 3.86Å; L46-F63 HydrophobicContact CD1-CE2 3.88Å
47	D	73.2	Confident	78.2	Confident	70 Å²	70	75.9 Å²	75.9	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-27.8	176	40.3	-78.7	0	0	0	114.9	C45	C45-D47 PolarHBondContact O-N 2.86Å; C45-D47 VanDerWaalsContact O-N 3.15Å; C45-D47 PolarHBondContact SG-OD2 2.9Å
48	L	73.6	Confident	78.6	Confident	116 Å²	116	80.1 Å²	80.1	61%	0.607	42%	0.423	S	S	*	.	H	α-helix	trans	-100.2	-40.6	-179.8	-62.2	178.1	0	0	0	112.4	C45 L46 K54	C45-L48 HydrophobicContact CB-CB 4.29Å; C45-L48 HydrophobicContact CB-CD1 4.25Å; C45-L48 HydrophobicContact CB-CG 4.39Å; C45-L48 PolarHBondContact O-N 3.41Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 3.3Å; L48-K54 WeakPolarHBondContact O-CE 3.28Å; L48-K54 PolarHBondContact O-NZ 3.4Å
49	D	78.4	Confident	79.2	Confident	92 Å²	92	79.2 Å²	79.2	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-96.2	-15.4	-165.9	-63.1	-55.1	0	0	0	114	K44 C45	K44-D49 HydrophobicContact CB-CB 4.08Å; K44-D49 HydrophobicContact CD-CB 3.73Å; K44-D49 HydrophobicContact CG-CB 4.32Å; C45-D49 PolarHBondContact N-OD2 2.99Å; C45-D49 PolarHBondContact O-N 2.87Å
50	V	79.1	Confident	79.9	Confident	9 Å²	9	77.2 Å²	77.2	6%	0.055	40%	0.403	C	S	.	.			trans	-118.5	115.1	-177	179.5	0	0	0	0	109.1	L41 L46 F52 F53 K54 Y66	L41-V50 HydrophobicContact CD2-CG2 3.67Å; L46-V50 HydrophobicContact CD2-CG2 3.93Å; L46-V50 WeakPolarHBondContact O-CB 3.38Å; L46-V50 PolarHBondContact O-N 3.45Å; L46-V50 VanDerWaalsContact O-N 3.15Å; V50-F52 HydrophobicContact CG1-CB 4.07Å; V50-F52 PolarHBondContact O-N 3.37Å; V50-F52 VanDerWaalsContact O-N 3.11Å; V50-F53 HydrophobicContact CB-CD2 3.78Å; V50-F53 HydrophobicContact CB-CE2 4.42Å; V50-F53 HydrophobicContact CG1-CD2 3.62Å; V50-F53 HydrophobicContact CG1-CE2 3.95Å; V50-F53 HydrophobicContact CG2-CD2 4.5Å; V50-F53 PolarHBondContact O-N 3.13Å; V50-K54 PolarHBondContact O-N 3.21Å; V50-Y66 HydrophobicContact CG1-CD2 4.45Å; V50-Y66 HydrophobicContact CG1-CE1 4.44Å; V50-Y66 HydrophobicContact CG1-CE2 3.79Å
51	E	84.6	Confident	80.7	Confident	164 Å²	164	79 Å²	79	77%	0.766	41%	0.406	S	S	*	.	H	α-helix	trans	-55.1	-35.1	-174.6	-168.4	172.2	132.3	0	0	113.2	F53 K54	E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 3.43Å; E51-K54 WeakPolarHBondContact O-CB 3.34Å; E51-K54 PolarHBondContact O-N 2.96Å
52	F	83.7	Confident	81.4	Confident	47 Å²	47	80 Å²	80	21%	0.206	41%	0.411	C	S	.	.	H	α-helix	trans	-56.2	-44.2	175.8	-174.2	-98.5	0	0	0	112.5	V50 K54 T55 H56 N62 Y66	V50-F52 HydrophobicContact CG1-CB 4.07Å; V50-F52 PolarHBondContact O-N 3.37Å; V50-F52 VanDerWaalsContact O-N 3.11Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.48Å; F52-T55 PolarHBondContact O-N 3.29Å; F52-T55 PolarHBondContact O-OG1 2.96Å; F52-H56 HydrophobicContact CD1-CB 4.42Å; F52-H56 HydrophobicContact CE1-CB 4.15Å; F52-H56 WeakPolarHBondContact O-CB 3.41Å; F52-H56 PolarHBondContact O-N 2.91Å; F52-H56 PolarHBondContact O-ND1 3.43Å; F52-N62 HydrophobicContact CE1-CB 4.14Å; F52-N62 WeakPolarHBondContact CE1-O 3.43Å; F52-Y66 HydrophobicContact CB-CD2 3.72Å; F52-Y66 HydrophobicContact CB-CE2 4.05Å; F52-Y66 AromaticContact CD1-CD2 3.95Å; F52-Y66 HydrophobicContact CD1-CD2 3.95Å; F52-Y66 HydrophobicContact CD1-CG 4.24Å; F52-Y66 HydrophobicContact CD2-CD2 4.35Å; F52-Y66 AromaticContact CG-CD2 3.75Å; F52-Y66 HydrophobicContact CG-CD2 3.75Å; F52-Y66 HydrophobicContact CG-CG 4.48Å
53	F	85.2	Confident	82.1	Confident	10 Å²	10	77.4 Å²	77.4	4%	0.044	40%	0.395	C	S	.	.	H	α-helix	trans	-84.4	-1.2	-178.1	-61.2	-69.6	0	0	0	114	L46 V50 E51 H56 I58 N62 F63 Y66	L46-F53 HydrophobicContact CB-CD2 3.79Å; L46-F53 HydrophobicContact CB-CE2 4.26Å; L46-F53 HydrophobicContact CB-CG 4.29Å; L46-F53 HydrophobicContact CD1-CE2 4.23Å; L46-F53 HydrophobicContact CD2-CE2 4.48Å; L46-F53 WeakPolarHBondContact O-CB 3.49Å; V50-F53 HydrophobicContact CB-CD2 3.78Å; V50-F53 HydrophobicContact CB-CE2 4.42Å; V50-F53 HydrophobicContact CG1-CD2 3.62Å; V50-F53 HydrophobicContact CG1-CE2 3.95Å; V50-F53 HydrophobicContact CG2-CD2 4.5Å; V50-F53 PolarHBondContact O-N 3.13Å; E51-F53 VanDerWaalsContact C-N 3.33Å; E51-F53 PolarHBondContact O-N 3.43Å; F53-H56 CarbonylContact C-O 3.52Å; F53-H56 WeakPolarHBondContact CA-O 3.41Å; F53-I58 HydrophobicContact CD1-CB 4.4Å; F53-N62 HydrophobicContact CE1-CB 4.19Å; F53-F63 HydrophobicContact CE2-CD2 4.2Å; F53-F63 HydrophobicContact CZ-CB 4.15Å; F53-F63 AromaticContact CZ-CD2 3.75Å; F53-F63 HydrophobicContact CZ-CD2 3.75Å; F53-F63 HydrophobicContact CZ-CG 4.43Å; F53-Y66 HydrophobicContact CE2-CD1 4.25Å; F53-Y66 HydrophobicContact CE2-CG 4.22Å; F53-Y66 HydrophobicContact CZ-CD1 4.47Å; F53-Y66 HydrophobicContact CZ-CG 4.26Å
54	K	85.4	Confident	83.1	Confident	135 Å²	135	68.6 Å²	68.6	59%	0.587	35%	0.354	S	S	*	.	H	α-helix	trans	-71.4	-25.1	168.2	-65.1	-176	178.9	176.7	0	112.4	L48 V50 E51 F52	L48-K54 WeakPolarHBondContact O-CE 3.28Å; L48-K54 PolarHBondContact O-NZ 3.4Å; V50-K54 PolarHBondContact O-N 3.21Å; E51-K54 WeakPolarHBondContact O-CB 3.34Å; E51-K54 PolarHBondContact O-N 2.96Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.48Å
55	T	85.8	Confident	83.9	Confident	113 Å²	113	65.6 Å²	65.6	69%	0.693	34%	0.344	S	S	*	.	H	α-helix	trans	-117.3	-10.1	-177.3	54	0	0	0	0	113.2	F52	F52-T55 PolarHBondContact O-N 3.29Å; F52-T55 PolarHBondContact O-OG1 2.96Å
56	H	85.5	Confident	84.6	Confident	82 Å²	82	64.3 Å²	64.3	38%	0.38	33%	0.331	S	S	.	.	S	Bend	trans	-123.1	145.9	179.4	-60.2	80.1	0	0	0	110.7	F52 F53	F52-H56 HydrophobicContact CD1-CB 4.42Å; F52-H56 HydrophobicContact CE1-CB 4.15Å; F52-H56 WeakPolarHBondContact O-CB 3.41Å; F52-H56 PolarHBondContact O-N 2.91Å; F52-H56 PolarHBondContact O-ND1 3.43Å; F53-H56 CarbonylContact C-O 3.52Å; F53-H56 WeakPolarHBondContact CA-O 3.41Å
57	S	86	Confident	85.1	Confident	73 Å²	73	63.1 Å²	63.1	51%	0.51	33%	0.325	S	S	.	.			trans	-63	142.7	173.1	48.9	0	0	0	0	111.3	T59 N62	S57-T59 PolarHBondContact O-N 2.97Å; S57-N62 WeakPolarHBondContact O-CB 3.34Å; S57-N62 PolarHBondContact O-ND2 3.39Å; S57-N62 PolarHBondContact OG-ND2 3.2Å; S57-N62 VanDerWaalsContact OG-ND2 3.11Å
58	I	85.3	Confident	85.9	Confident	97 Å²	97	61 Å²	61	50%	0.497	31%	0.312	S	S	.	.			trans	-76.2	60.6	175.9	-168	-178.9	0	0	0	111.4	L46 F53	L46-I58 HydrophobicContact CB-CD1 3.68Å; L46-I58 HydrophobicContact CB-CG1 4.23Å; L46-I58 HydrophobicContact CD1-CD1 3.91Å; L46-I58 HydrophobicContact CD1-CG1 4.07Å; L46-I58 HydrophobicContact CG-CD1 4.19Å; F53-I58 HydrophobicContact CD1-CB 4.4Å
59	T	88.6	Confident	86.7	Confident	50 Å²	50	58.7 Å²	58.7	31%	0.307	30%	0.3	S	S	.	.			trans	-98.2	158.5	175.4	74.4	0	0	0	0	110.8	S57 E61 N62 F63	S57-T59 PolarHBondContact O-N 2.97Å; T59-E61 WeakPolarHBondContact CB-OE2 3.48Å; T59-E61 PolarHBondContact O-N 2.89Å; T59-E61 PolarHBondContact OG1-OE2 2.87Å; T59-N62 PolarHBondContact O-N 3.11Å; T59-N62 PolarHBondContact OG1-N 3.21Å; T59-F63 WeakPolarHBondContact O-CB 3.41Å; T59-F63 PolarHBondContact O-N 3.32Å
60	T	88.3	Confident	87.1	Confident	10 Å²	10	57 Å²	57	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-34.2	178.5	-31.8	0	0	0	0	111.7	F63 T64 V86 E88 V94	T60-F63 PolarHBondContact O-N 3.5Å; T60-T64 WeakPolarHBondContact O-CB 3.38Å; T60-T64 PolarHBondContact O-N 3.33Å; T60-T64 PolarHBondContact O-OG1 2.86Å; T60-V86 HydrophobicContact CG2-CB 4.19Å; T60-V86 HydrophobicContact CG2-CG1 3.8Å; T60-E88 HydrophobicContact CG2-CB 3.99Å; T60-E88 VanDerWaalsContact OG1-CD 3.32Å; T60-E88 PolarHBondContact OG1-OE2 3.36Å; T60-V94 HydrophobicContact CG2-CB 4.19Å; T60-V94 HydrophobicContact CG2-CG2 3.82Å
61	E	90.4	Very high	87.4	Confident	101 Å²	101	57.3 Å²	57.3	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-52.3	177.1	-54.8	83.5	169.2	0	0	111.7	T59 F63 T64 V65 V94	T59-E61 WeakPolarHBondContact CB-OE2 3.48Å; T59-E61 PolarHBondContact O-N 2.89Å; T59-E61 PolarHBondContact OG1-OE2 2.87Å; E61-F63 VanDerWaalsContact C-N 3.25Å; E61-F63 PolarHBondContact O-N 2.67Å; E61-T64 WeakPolarHBondContact O-CB 3.42Å; E61-T64 PolarHBondContact O-N 3.21Å; E61-T64 VanDerWaalsContact O-N 3.13Å; E61-V65 WeakPolarHBondContact O-CG2 3.36Å; E61-V65 PolarHBondContact O-N 2.86Å; E61-V94 HydrophobicContact CB-CG1 4.42Å; E61-V94 HydrophobicContact CG-CG1 4.11Å; E61-V94 HydrophobicContact CG-CG2 4.08Å
62	N	88.8	Confident	87.5	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.203	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-36.9	177.5	-78	-19.7	0	0	0	111.3	F52 F53 S57 T59 V65 Y66	F52-N62 HydrophobicContact CE1-CB 4.14Å; F52-N62 WeakPolarHBondContact CE1-O 3.43Å; F53-N62 HydrophobicContact CE1-CB 4.19Å; S57-N62 WeakPolarHBondContact O-CB 3.34Å; S57-N62 PolarHBondContact O-ND2 3.39Å; S57-N62 PolarHBondContact OG-ND2 3.2Å; S57-N62 VanDerWaalsContact OG-ND2 3.11Å; T59-N62 PolarHBondContact O-N 3.11Å; T59-N62 PolarHBondContact OG1-N 3.21Å; N62-V65 PolarHBondContact O-N 2.93Å; N62-Y66 WeakPolarHBondContact O-CB 3.26Å; N62-Y66 PolarHBondContact O-N 3.34Å
63	F	88.2	Confident	87.6	Confident	50 Å²	50	56.8 Å²	56.8	22%	0.219	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-43.2	173.5	-172.8	-98.1	0	0	0	112.4	L41 L46 F53 T59 T60 E61 V65 Y66 I67 V86	L41-F63 HydrophobicContact CD1-CE2 3.93Å; L41-F63 HydrophobicContact CD1-CZ 4.09Å; L46-F63 HydrophobicContact CD1-CD2 3.86Å; L46-F63 HydrophobicContact CD1-CE2 3.88Å; F53-F63 HydrophobicContact CE2-CD2 4.2Å; F53-F63 HydrophobicContact CZ-CB 4.15Å; F53-F63 AromaticContact CZ-CD2 3.75Å; F53-F63 HydrophobicContact CZ-CD2 3.75Å; F53-F63 HydrophobicContact CZ-CG 4.43Å; T59-F63 WeakPolarHBondContact O-CB 3.41Å; T59-F63 PolarHBondContact O-N 3.32Å; T60-F63 PolarHBondContact O-N 3.5Å; E61-F63 VanDerWaalsContact C-N 3.25Å; E61-F63 PolarHBondContact O-N 2.67Å; F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 PolarHBondContact O-N 2.9Å; F63-Y66 WeakPolarHBondContact O-CB 3.37Å; F63-Y66 PolarHBondContact O-N 3.11Å; F63-I67 HydrophobicContact CD1-CG1 4.04Å; F63-I67 HydrophobicContact CE1-CD1 4.01Å; F63-I67 HydrophobicContact CE1-CG1 3.7Å; F63-I67 HydrophobicContact CE2-CD1 4.32Å; F63-I67 HydrophobicContact CZ-CD1 3.78Å; F63-I67 HydrophobicContact CZ-CG1 3.98Å; F63-I67 WeakPolarHBondContact O-CG1 3.4Å; F63-I67 PolarHBondContact O-N 3.21Å; F63-V86 HydrophobicContact CD1-CG1 3.9Å; F63-V86 HydrophobicContact CD1-CG2 4.02Å; F63-V86 HydrophobicContact CE1-CG1 4.21Å; F63-V86 HydrophobicContact CE1-CG2 4.31Å
64	T	89.8	Confident	87.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-42.7	176.8	-54.1	0	0	0	0	111.5	T60 E61 I67 W68 V84 V86 V94 Y96	T60-T64 WeakPolarHBondContact O-CB 3.38Å; T60-T64 PolarHBondContact O-N 3.33Å; T60-T64 PolarHBondContact O-OG1 2.86Å; E61-T64 WeakPolarHBondContact O-CB 3.42Å; E61-T64 PolarHBondContact O-N 3.21Å; E61-T64 VanDerWaalsContact O-N 3.13Å; T64-I67 PolarHBondContact O-N 3.11Å; T64-W68 WeakPolarHBondContact O-CB 3.29Å; T64-W68 PolarHBondContact O-N 2.83Å; T64-V84 HydrophobicContact CG2-CB 4.29Å; T64-V84 HydrophobicContact CG2-CG1 3.93Å; T64-V84 WeakPolarHBondContact CG2-O 3.43Å; T64-V86 HydrophobicContact CG2-CG2 4.09Å; T64-V86 WeakPolarHBondContact OG1-CB 3.41Å; T64-V86 WeakPolarHBondContact OG1-CG2 3.07Å; T64-V94 HydrophobicContact CG2-CG1 4.44Å; T64-Y96 VanDerWaalsContact CG2-CB 3.5Å
65	V	90.4	Very high	87	Confident	35 Å²	35	53.2 Å²	53.2	21%	0.212	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-41.5	175.1	174.7	0	0	0	0	111.4	E61 N62 F63 W68 N69 Y96	E61-V65 WeakPolarHBondContact O-CG2 3.36Å; E61-V65 PolarHBondContact O-N 2.86Å; N62-V65 PolarHBondContact O-N 2.93Å; F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 PolarHBondContact O-N 2.9Å; V65-W68 WeakPolarHBondContact O-CB 3.31Å; V65-W68 PolarHBondContact O-N 2.77Å; V65-N69 PolarHBondContact O-N 3.48Å; V65-N69 PolarHBondContact O-ND2 2.85Å; V65-Y96 HydrophobicContact CG2-CD1 4.32Å; V65-Y96 HydrophobicContact CG2-CD2 4.05Å; V65-Y96 HydrophobicContact CG2-CE1 4.23Å; V65-Y96 HydrophobicContact CG2-CE2 3.98Å; V65-Y96 HydrophobicContact CG2-CG 4.21Å
66	Y	89.5	Confident	86.7	Confident	30 Å²	30	52.9 Å²	52.9	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-49.5	175.2	174.5	-100.5	0	0	0	111.5	L41 V50 F52 F53 N62 F63 W68 N69 Q70	L41-Y66 HydrophobicContact CD1-CD1 4.3Å; L41-Y66 HydrophobicContact CD1-CE1 3.72Å; L41-Y66 HydrophobicContact CD2-CE1 3.79Å; L41-Y66 HydrophobicContact CG-CE1 4.31Å; V50-Y66 HydrophobicContact CG1-CD2 4.45Å; V50-Y66 HydrophobicContact CG1-CE1 4.44Å; V50-Y66 HydrophobicContact CG1-CE2 3.79Å; F52-Y66 HydrophobicContact CB-CD2 3.72Å; F52-Y66 HydrophobicContact CB-CE2 4.05Å; F52-Y66 AromaticContact CD1-CD2 3.95Å; F52-Y66 HydrophobicContact CD1-CD2 3.95Å; F52-Y66 HydrophobicContact CD1-CG 4.24Å; F52-Y66 HydrophobicContact CD2-CD2 4.35Å; F52-Y66 AromaticContact CG-CD2 3.75Å; F52-Y66 HydrophobicContact CG-CD2 3.75Å; F52-Y66 HydrophobicContact CG-CG 4.48Å; F53-Y66 HydrophobicContact CE2-CD1 4.25Å; F53-Y66 HydrophobicContact CE2-CG 4.22Å; F53-Y66 HydrophobicContact CZ-CD1 4.47Å; F53-Y66 HydrophobicContact CZ-CG 4.26Å; N62-Y66 WeakPolarHBondContact O-CB 3.26Å; N62-Y66 PolarHBondContact O-N 3.34Å; F63-Y66 WeakPolarHBondContact O-CB 3.37Å; F63-Y66 PolarHBondContact O-N 3.11Å; Y66-W68 VanDerWaalsContact C-N 3.31Å; Y66-W68 PolarHBondContact O-N 3.43Å; Y66-N69 PolarHBondContact O-N 3.27Å; Y66-Q70 HydrophobicContact CD1-CG 4.27Å; Y66-Q70 HydrophobicContact CD2-CG 4.35Å; Y66-Q70 HydrophobicContact CE1-CG 3.79Å; Y66-Q70 HydrophobicContact CE2-CG 3.88Å; Y66-Q70 WeakPolarHBondContact O-CG 3.41Å; Y66-Q70 PolarHBondContact O-N 2.86Å
67	I	87.9	Confident	86.6	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176.7	-63.4	-61.4	0	0	0	111	L34 V37 L41 F63 T64 N69 Q70 L71 V84	L34-I67 HydrophobicContact CD1-CG2 4.02Å; V37-I67 HydrophobicContact CG1-CD1 3.43Å; V37-I67 VanDerWaalsContact CG1-CD1 3.43Å; V37-I67 HydrophobicContact CG1-CG2 4.49Å; L41-I67 HydrophobicContact CD1-CD1 3.77Å; F63-I67 HydrophobicContact CD1-CG1 4.04Å; F63-I67 HydrophobicContact CE1-CD1 4.01Å; F63-I67 HydrophobicContact CE1-CG1 3.7Å; F63-I67 HydrophobicContact CE2-CD1 4.32Å; F63-I67 HydrophobicContact CZ-CD1 3.78Å; F63-I67 HydrophobicContact CZ-CG1 3.98Å; F63-I67 WeakPolarHBondContact O-CG1 3.4Å; F63-I67 PolarHBondContact O-N 3.21Å; T64-I67 PolarHBondContact O-N 3.11Å; I67-N69 PolarHBondContact O-N 3.25Å; I67-Q70 PolarHBondContact O-N 3.48Å; I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.24Å; I67-L71 WeakPolarHBondContact O-CB 3.44Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 3.41Å; I67-V84 HydrophobicContact CB-CG1 4.26Å; I67-V84 HydrophobicContact CG2-CG1 3.84Å
68	W	90	Very high	86.3	Confident	27 Å²	27	54 Å²	54	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-50.6	175.1	175.4	-79.4	0	0	0	111.8	T64 V65 Y66 Q70 L71 I72 L81 V84 Y96 R97 G98	T64-W68 WeakPolarHBondContact O-CB 3.29Å; T64-W68 PolarHBondContact O-N 2.83Å; V65-W68 WeakPolarHBondContact O-CB 3.31Å; V65-W68 PolarHBondContact O-N 2.77Å; Y66-W68 VanDerWaalsContact C-N 3.31Å; Y66-W68 PolarHBondContact O-N 3.43Å; W68-Q70 PolarHBondContact O-N 2.88Å; W68-L71 PolarHBondContact O-N 2.91Å; W68-I72 HydrophobicContact CG-CG1 4.5Å; W68-I72 HydrophobicContact CZ2-CD1 4.17Å; W68-I72 VanDerWaalsContact O-CG1 3.29Å; W68-I72 WeakPolarHBondContact O-CG1 3.02Å; W68-I72 PolarHBondContact O-N 3.43Å; W68-L81 HydrophobicContact CD2-CD2 3.45Å; W68-L81 VanDerWaalsContact CD2-CD2 3.45Å; W68-L81 HydrophobicContact CD2-CG 4.46Å; W68-L81 HydrophobicContact CE3-CD2 3.36Å; W68-L81 HydrophobicContact CE3-CG 3.96Å; W68-L81 HydrophobicContact CG-CD2 4.15Å; W68-L81 HydrophobicContact CH2-CB 4.21Å; W68-L81 HydrophobicContact CH2-CD2 3.65Å; W68-L81 HydrophobicContact CH2-CG 3.72Å; W68-L81 WeakPolarHBondContact CH2-O 3.21Å; W68-L81 HydrophobicContact CZ2-CD2 3.76Å; W68-L81 HydrophobicContact CZ2-CG 4.27Å; W68-L81 HydrophobicContact CZ3-CD2 3.46Å; W68-L81 VanDerWaalsContact CZ3-CD2 3.46Å; W68-L81 HydrophobicContact CZ3-CG 3.55Å; W68-V84 HydrophobicContact CB-CG2 4.26Å; W68-V84 HydrophobicContact CD2-CG2 4.46Å; W68-V84 HydrophobicContact CE3-CB 4.17Å; W68-V84 HydrophobicContact CE3-CG2 3.64Å; W68-V84 HydrophobicContact CZ3-CG2 4.36Å; W68-Y96 HydrophobicContact CB-CD1 3.59Å; W68-Y96 HydrophobicContact CB-CE1 3.87Å; W68-Y96 AromaticContact CD1-CE1 3.64Å; W68-Y96 AromaticContact CD2-CD1 3.6Å; W68-Y96 HydrophobicContact CD2-CD1 3.6Å; W68-Y96 AromaticContact CD2-CE1 3.73Å; W68-Y96 HydrophobicContact CD2-CE1 3.73Å; W68-Y96 AromaticContact CE3-CD1 3.78Å; W68-Y96 HydrophobicContact CE3-CD1 3.78Å; W68-Y96 HydrophobicContact CE3-CE1 4.33Å; W68-Y96 AromaticContact CG-CD1 3.49Å; W68-Y96 HydrophobicContact CG-CD1 3.49Å; W68-Y96 VanDerWaalsContact CG-CD1 3.49Å; W68-Y96 AromaticContact CG-CE1 3.45Å; W68-Y96 HydrophobicContact CG-CE1 3.45Å; W68-Y96 VanDerWaalsContact CG-CE1 3.45Å; W68-R97 WeakPolarHBondContact CH2-O 3.02Å; W68-G98 VanDerWaalsContact CE2-CA 3.5Å
69	N	89.4	Confident	86.2	Confident	66 Å²	66	56.9 Å²	56.9	35%	0.353	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-45.6	179.5	-68.8	-23.4	0	0	0	111.4	V65 Y66 I67 L71 I72 E73	V65-N69 PolarHBondContact O-N 3.48Å; V65-N69 PolarHBondContact O-ND2 2.85Å; Y66-N69 PolarHBondContact O-N 3.27Å; I67-N69 PolarHBondContact O-N 3.25Å; N69-L71 VanDerWaalsContact C-N 3.31Å; N69-L71 PolarHBondContact O-N 2.74Å; N69-I72 PolarHBondContact O-N 2.8Å; N69-E73 WeakPolarHBondContact O-CG 3.37Å; N69-E73 PolarHBondContact O-N 2.85Å
70	Q	86.8	Confident	86.1	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.271	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-37.1	177	-66.4	-56.9	-74	0	0	112.6	V37 Y66 I67 W68 E73 C74	V37-Q70 HydrophobicContact CB-CB 4.25Å; V37-Q70 HydrophobicContact CG1-CB 3.48Å; V37-Q70 VanDerWaalsContact CG1-CB 3.48Å; V37-Q70 HydrophobicContact CG1-CG 3.96Å; V37-Q70 HydrophobicContact CG2-CB 3.7Å; Y66-Q70 HydrophobicContact CD1-CG 4.27Å; Y66-Q70 HydrophobicContact CD2-CG 4.35Å; Y66-Q70 HydrophobicContact CE1-CG 3.79Å; Y66-Q70 HydrophobicContact CE2-CG 3.88Å; Y66-Q70 WeakPolarHBondContact O-CG 3.41Å; Y66-Q70 PolarHBondContact O-N 2.86Å; I67-Q70 PolarHBondContact O-N 3.48Å; W68-Q70 PolarHBondContact O-N 2.88Å; Q70-E73 PolarHBondContact NE2-OE2 2.99Å; Q70-E73 PolarHBondContact O-N 3.2Å; Q70-C74 PolarHBondContact O-N 3Å; Q70-C74 PolarHBondContact O-SG 2.76Å
71	L	86.2	Confident	85.9	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-48.7	174.5	-75.1	171.7	0	0	0	110.8	Q33 V37 I67 W68 N69 E73 C74 M75 L81 V84	Q33-L71 HydrophobicContact CB-CD2 4.04Å; V37-L71 HydrophobicContact CG2-CD2 4.08Å; V37-L71 HydrophobicContact CG2-CG 4.34Å; I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.24Å; I67-L71 WeakPolarHBondContact O-CB 3.44Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 3.41Å; W68-L71 PolarHBondContact O-N 2.91Å; N69-L71 VanDerWaalsContact C-N 3.31Å; N69-L71 PolarHBondContact O-N 2.74Å; L71-E73 PolarHBondContact O-N 2.94Å; L71-C74 PolarHBondContact O-N 3.45Å; L71-C74 PolarHBondContact O-SG 3.17Å; L71-M75 VanDerWaalsContact C-CE 3.47Å; L71-M75 HydrophobicContact CB-CE 3.95Å; L71-M75 VanDerWaalsContact O-CB 3.25Å; L71-M75 WeakPolarHBondContact O-CB 3.26Å; L71-M75 WeakPolarHBondContact O-CE 3.36Å; L71-M75 VanDerWaalsContact O-CG 3.24Å; L71-M75 WeakPolarHBondContact O-CG 3.38Å; L71-M75 PolarHBondContact O-N 3.29Å; L71-L81 HydrophobicContact CB-CD2 4.21Å; L71-L81 HydrophobicContact CD1-CD1 4.21Å; L71-V84 HydrophobicContact CD1-CG2 3.63Å
72	I	86.3	Confident	85.7	Confident	55 Å²	55	62 Å²	62	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-55.9	-40.5	176.9	-68.1	-70.5	0	0	0	111.2	W68 N69 M75 P78 L81	W68-I72 HydrophobicContact CG-CG1 4.5Å; W68-I72 HydrophobicContact CZ2-CD1 4.17Å; W68-I72 VanDerWaalsContact O-CG1 3.29Å; W68-I72 WeakPolarHBondContact O-CG1 3.02Å; W68-I72 PolarHBondContact O-N 3.43Å; N69-I72 PolarHBondContact O-N 2.8Å; I72-M75 HydrophobicContact CD1-CE 4.06Å; I72-P78 HydrophobicContact CB-CB 4.37Å; I72-P78 HydrophobicContact CD1-CB 3.54Å; I72-P78 HydrophobicContact CG2-CB 3.86Å; I72-L81 HydrophobicContact CD1-CB 4.23Å; I72-L81 HydrophobicContact CD1-CD2 3.77Å; I72-L81 HydrophobicContact CG1-CD2 3.95Å
73	E	85.9	Confident	85.6	Confident	144 Å²	144	64 Å²	64	67%	0.673	32%	0.321	S	S	*	.	H	α-helix	trans	-70.1	-38.2	178.4	-72	-175.8	108.8	0	0	113.5	N69 Q70 L71	N69-E73 WeakPolarHBondContact O-CG 3.37Å; N69-E73 PolarHBondContact O-N 2.85Å; Q70-E73 PolarHBondContact NE2-OE2 2.99Å; Q70-E73 PolarHBondContact O-N 3.2Å; L71-E73 PolarHBondContact O-N 2.94Å
74	C	79.8	Confident	85.7	Confident	55 Å²	55	62.2 Å²	62.2	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-89.2	-12.7	-178.4	73.3	0	0	0	0	114.2	Q70 L71	Q70-C74 PolarHBondContact O-N 3Å; Q70-C74 PolarHBondContact O-SG 2.76Å; L71-C74 PolarHBondContact O-N 3.45Å; L71-C74 PolarHBondContact O-SG 3.17Å
75	M	78.7	Confident	85.6	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.079	33%	0.331	C	S	.	.			trans	-78.4	132.2	179.7	-87.3	-172.1	-63.6	0	0	112.3	L71 I72 K77 I80 L81	L71-M75 VanDerWaalsContact C-CE 3.47Å; L71-M75 HydrophobicContact CB-CE 3.95Å; L71-M75 VanDerWaalsContact O-CB 3.25Å; L71-M75 WeakPolarHBondContact O-CB 3.26Å; L71-M75 WeakPolarHBondContact O-CE 3.36Å; L71-M75 VanDerWaalsContact O-CG 3.24Å; L71-M75 WeakPolarHBondContact O-CG 3.38Å; L71-M75 PolarHBondContact O-N 3.29Å; I72-M75 HydrophobicContact CD1-CE 4.06Å; M75-K77 PolarHBondContact O-N 3.45Å; M75-I80 HydrophobicContact SD-CG1 4.36Å; M75-L81 HydrophobicContact CE-CB 3.43Å; M75-L81 VanDerWaalsContact CE-CB 3.43Å; M75-L81 HydrophobicContact CE-CD1 3.99Å; M75-L81 HydrophobicContact CE-CD2 3.71Å; M75-L81 HydrophobicContact CE-CG 3.88Å; M75-L81 HydrophobicContact SD-CB 4.16Å; M75-L81 HydrophobicContact SD-CD1 4.42Å
76	P	79.3	Confident	85.5	Confident	105 Å²	105	64.4 Å²	64.4	68%	0.682	33%	0.328	S	S	*	.	S	Bend	trans	-68.1	-17.6	171.9	28.2	-34.7	0	0	0	113
77	K	82.1	Confident	85.3	Confident	133 Å²	133	69.1 Å²	69.1	58%	0.578	35%	0.351	S	S	*	.			trans	-141.3	85.5	176.8	-70.4	-171.7	177.9	-179.5	0	109.7	M75 D79 I80	M75-K77 PolarHBondContact O-N 3.45Å; K77-D79 PolarHBondContact O-N 3.42Å; K77-I80 HydrophobicContact CB-CD1 4.41Å; K77-I80 HydrophobicContact CB-CG2 4.07Å; K77-I80 VanDerWaalsContact O-CG1 3.27Å; K77-I80 WeakPolarHBondContact O-CG1 3.31Å; K77-I80 PolarHBondContact O-N 3.45Å
78	P	81.3	Confident	85.1	Confident	47 Å²	47	74.4 Å²	74.4	31%	0.305	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-61.4	-25.9	-179	23.6	-33.3	0	0	0	113.4	I72 I80 L81	I72-P78 HydrophobicContact CB-CB 4.37Å; I72-P78 HydrophobicContact CD1-CB 3.54Å; I72-P78 HydrophobicContact CG2-CB 3.86Å; P78-I80 PolarHBondContact O-N 3.17Å; P78-L81 WeakPolarHBondContact O-CB 3.48Å; P78-L81 PolarHBondContact O-N 3.37Å
79	D	83.4	Confident	84.8	Confident	156 Å²	156	76.5 Å²	76.5	83%	0.834	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-62	-15.3	179.6	-53.2	-89.2	0	0	0	114.7	K77	K77-D79 PolarHBondContact O-N 3.42Å
80	I	84.6	Confident	84.6	Confident	85 Å²	85	83 Å²	83	44%	0.436	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-86.6	-11.2	178	79.1	-169.5	0	0	0	112.6	Y29 M75 K77 P78 Y82	Y29-I80 HydrophobicContact CE1-CD1 4.15Å; Y29-I80 WeakPolarHBondContact OH-CD1 2.99Å; M75-I80 HydrophobicContact SD-CG1 4.36Å; K77-I80 HydrophobicContact CB-CD1 4.41Å; K77-I80 HydrophobicContact CB-CG2 4.07Å; K77-I80 VanDerWaalsContact O-CG1 3.27Å; K77-I80 WeakPolarHBondContact O-CG1 3.31Å; K77-I80 PolarHBondContact O-N 3.45Å; P78-I80 PolarHBondContact O-N 3.17Å; I80-Y82 PolarHBondContact O-N 2.98Å
81	L	85.4	Confident	84.6	Confident	35 Å²	35	86.8 Å²	86.8	18%	0.183	45%	0.447	C	S	.	.			trans	-73.8	114	178.9	-172.8	68.9	0	0	0	109.6	W68 L71 I72 M75 P78 V84	W68-L81 HydrophobicContact CD2-CD2 3.45Å; W68-L81 VanDerWaalsContact CD2-CD2 3.45Å; W68-L81 HydrophobicContact CD2-CG 4.46Å; W68-L81 HydrophobicContact CE3-CD2 3.36Å; W68-L81 HydrophobicContact CE3-CG 3.96Å; W68-L81 HydrophobicContact CG-CD2 4.15Å; W68-L81 HydrophobicContact CH2-CB 4.21Å; W68-L81 HydrophobicContact CH2-CD2 3.65Å; W68-L81 HydrophobicContact CH2-CG 3.72Å; W68-L81 WeakPolarHBondContact CH2-O 3.21Å; W68-L81 HydrophobicContact CZ2-CD2 3.76Å; W68-L81 HydrophobicContact CZ2-CG 4.27Å; W68-L81 HydrophobicContact CZ3-CD2 3.46Å; W68-L81 VanDerWaalsContact CZ3-CD2 3.46Å; W68-L81 HydrophobicContact CZ3-CG 3.55Å; L71-L81 HydrophobicContact CB-CD2 4.21Å; L71-L81 HydrophobicContact CD1-CD1 4.21Å; I72-L81 HydrophobicContact CD1-CB 4.23Å; I72-L81 HydrophobicContact CD1-CD2 3.77Å; I72-L81 HydrophobicContact CG1-CD2 3.95Å; M75-L81 HydrophobicContact CE-CB 3.43Å; M75-L81 VanDerWaalsContact CE-CB 3.43Å; M75-L81 HydrophobicContact CE-CD1 3.99Å; M75-L81 HydrophobicContact CE-CD2 3.71Å; M75-L81 HydrophobicContact CE-CG 3.88Å; M75-L81 HydrophobicContact SD-CB 4.16Å; M75-L81 HydrophobicContact SD-CD1 4.42Å; P78-L81 WeakPolarHBondContact O-CB 3.48Å; P78-L81 PolarHBondContact O-N 3.37Å; L81-V84 HydrophobicContact CD1-CG2 4.11Å; L81-V84 HydrophobicContact CD2-CG2 4.19Å
82	Y	85.9	Confident	84.6	Confident	150 Å²	150	88.9 Å²	88.9	59%	0.588	46%	0.458	S	S	*	.			trans	-94.6	-49.4	-177.2	179.6	-105.7	0	0	0	112.3	I80	I80-Y82 PolarHBondContact O-N 2.98Å
83	E	87.2	Confident	84.8	Confident	79 Å²	79	89 Å²	89	37%	0.369	46%	0.464	S	S	.	.			trans	-154.8	149.7	179.2	74.1	-165.4	135.2	0	0	111.9	T95 Y96 R97	E83-T95 HydrophobicContact CB-CG2 4.19Å; E83-T95 WeakPolarHBondContact OE2-CG2 3.42Å; E83-Y96 CarbonylContact C-O 3.58Å; E83-Y96 WeakPolarHBondContact CA-O 3Å; E83-R97 HydrophobicContact CB-CG 3.79Å; E83-R97 IonicContact OE2-CZ 3.52Å; E83-R97 IonicContact OE2-NE 3.23Å; E83-R97 PolarHBondContact OE2-NE 3.15Å; E83-R97 IonicContact OE2-NH2 2.9Å; E83-R97 PolarHBondContact OE2-NH2 2.93Å
84	V	89	Confident	85	Confident	12 Å²	12	83.4 Å²	83.4	7%	0.073	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	168.9	174.9	0	0	0	0	107.3	T64 I67 W68 L71 L81 V86 T95 Y96	T64-V84 HydrophobicContact CG2-CB 4.29Å; T64-V84 HydrophobicContact CG2-CG1 3.93Å; T64-V84 WeakPolarHBondContact CG2-O 3.43Å; I67-V84 HydrophobicContact CB-CG1 4.26Å; I67-V84 HydrophobicContact CG2-CG1 3.84Å; W68-V84 HydrophobicContact CB-CG2 4.26Å; W68-V84 HydrophobicContact CD2-CG2 4.46Å; W68-V84 HydrophobicContact CE3-CB 4.17Å; W68-V84 HydrophobicContact CE3-CG2 3.64Å; W68-V84 HydrophobicContact CZ3-CG2 4.36Å; L71-V84 HydrophobicContact CD1-CG2 3.63Å; L81-V84 HydrophobicContact CD1-CG2 4.11Å; L81-V84 HydrophobicContact CD2-CG2 4.19Å; V84-V86 HydrophobicContact CG1-CG2 4.44Å; V84-T95 CarbonylContact O-C 3.53Å; V84-T95 WeakPolarHBondContact O-CA 3.39Å; V84-Y96 PolarHBondContact N-O 2.92Å; V84-Y96 PolarHBondContact O-N 2.89Å
85	T	88.1	Confident	85.5	Confident	57 Å²	57	84 Å²	84	35%	0.35	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.4	175.3	-59.1	0	0	0	0	109.7	H87 V94 T95	T85-H87 WeakPolarHBondContact CG2-NE2 3.29Å; T85-V94 CarbonylContact C-O 3.54Å; T85-V94 VanDerWaalsContact CA-O 3.26Å; T85-V94 WeakPolarHBondContact CA-O 3.47Å; T85-T95 WeakPolarHBondContact CG2-OG1 2.9Å; T85-T95 WeakPolarHBondContact OG1-CG2 3.4Å; T85-T95 PolarHBondContact OG1-OG1 3.12Å
86	V	88	Confident	86	Confident	25 Å²	25	85.9 Å²	85.9	15%	0.152	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.7	174.6	177.5	0	0	0	0	108.5	T60 F63 T64 V84 S93 V94	T60-V86 HydrophobicContact CG2-CB 4.19Å; T60-V86 HydrophobicContact CG2-CG1 3.8Å; F63-V86 HydrophobicContact CD1-CG1 3.9Å; F63-V86 HydrophobicContact CD1-CG2 4.02Å; F63-V86 HydrophobicContact CE1-CG1 4.21Å; F63-V86 HydrophobicContact CE1-CG2 4.31Å; T64-V86 HydrophobicContact CG2-CG2 4.09Å; T64-V86 WeakPolarHBondContact OG1-CB 3.41Å; T64-V86 WeakPolarHBondContact OG1-CG2 3.07Å; V84-V86 HydrophobicContact CG1-CG2 4.44Å; V86-S93 CarbonylContact O-C 3.51Å; V86-S93 WeakPolarHBondContact O-CA 3.42Å; V86-V94 PolarHBondContact N-O 3.47Å; V86-V94 PolarHBondContact O-N 3.48Å
87	H	86.9	Confident	86.5	Confident	129 Å²	129	87.1 Å²	87.1	60%	0.597	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.5	173.7	-66.1	-98.9	0	0	0	108.4	T85 S93	T85-H87 WeakPolarHBondContact CG2-NE2 3.29Å; H87-S93 WeakPolarHBondContact ND1-CB 3.45Å
88	E	83.3	Confident	86.6	Confident	114 Å²	114	81.7 Å²	81.7	53%	0.533	42%	0.421	S	S	.	.	S	Bend	trans	-80.6	-40.7	174.8	-176.3	-179	81.9	0	0	110.8	T60 N92	T60-E88 HydrophobicContact CG2-CB 3.99Å; T60-E88 VanDerWaalsContact OG1-CD 3.32Å; T60-E88 PolarHBondContact OG1-OE2 3.36Å; E88-N92 HydrophobicContact CB-CB 4.42Å; E88-N92 PolarHBondContact N-O 2.86Å; E88-N92 PolarHBondContact OE1-ND2 2.92Å
89	T	84.2	Confident	86.5	Confident	70 Å²	70	86.8 Å²	86.8	43%	0.429	44%	0.441	S	S	.	.	S	Bend	trans	-138.9	-178.9	174.1	67.9	0	0	0	0	109.8	T91 N92	T89-T91 PolarHBondContact O-N 3.15Å; T89-T91 PolarHBondContact OG1-N 3.33Å; T89-N92 PolarHBondContact N-O 3.39Å; T89-N92 VanDerWaalsContact OG1-CB 3.29Å; T89-N92 WeakPolarHBondContact OG1-CB 3.09Å; T89-N92 PolarHBondContact OG1-N 2.95Å
90	E	83.8	Confident	85.4	Confident	203 Å²	203	85.4 Å²	85.4	95%	0.949	44%	0.438	S	S	*	.	S	Bend	trans	-62.3	-27.9	176.3	-61.5	-173.8	117.1	0	0	113
91	T	87.1	Confident	83.4	Confident	137 Å²	137	89.2 Å²	89.2	84%	0.84	46%	0.459	S	S	*	.	S	Bend	trans	-108.4	-19.5	-177.7	56.3	0	0	0	0	113.5	T89	T89-T91 PolarHBondContact O-N 3.15Å; T89-T91 PolarHBondContact OG1-N 3.33Å
92	N	86.4	Confident	80.9	Confident	59 Å²	59	95.4 Å²	95.4	32%	0.316	52%	0.515	S	S	.	.			trans	-104.4	112	178.6	-167.3	19	0	0	0	111	E88 T89	E88-N92 HydrophobicContact CB-CB 4.42Å; E88-N92 PolarHBondContact N-O 2.86Å; E88-N92 PolarHBondContact OE1-ND2 2.92Å; T89-N92 PolarHBondContact N-O 3.39Å; T89-N92 VanDerWaalsContact OG1-CB 3.29Å; T89-N92 WeakPolarHBondContact OG1-CB 3.09Å; T89-N92 PolarHBondContact OG1-N 2.95Å
93	S	90.1	Very high	80.6	Confident	58 Å²	58	92.7 Å²	92.7	41%	0.406	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140	174.7	63.7	0	0	0	0	111	V86 H87	V86-S93 CarbonylContact O-C 3.51Å; V86-S93 WeakPolarHBondContact O-CA 3.42Å; H87-S93 WeakPolarHBondContact ND1-CB 3.45Å
94	V	90.2	Very high	80.3	Confident	26 Å²	26	93.4 Å²	93.4	16%	0.158	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	176.7	179.9	0	0	0	0	109.5	T60 E61 T64 T85 V86	T60-V94 HydrophobicContact CG2-CB 4.19Å; T60-V94 HydrophobicContact CG2-CG2 3.82Å; E61-V94 HydrophobicContact CB-CG1 4.42Å; E61-V94 HydrophobicContact CG-CG1 4.11Å; E61-V94 HydrophobicContact CG-CG2 4.08Å; T64-V94 HydrophobicContact CG2-CG1 4.44Å; T85-V94 CarbonylContact C-O 3.54Å; T85-V94 VanDerWaalsContact CA-O 3.26Å; T85-V94 WeakPolarHBondContact CA-O 3.47Å; V86-V94 PolarHBondContact N-O 3.47Å; V86-V94 PolarHBondContact O-N 3.48Å
95	T	89.7	Confident	79.8	Confident	68 Å²	68	97.9 Å²	97.9	42%	0.417	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.7	176	-61.5	0	0	0	0	109.8	E83 V84 T85	E83-T95 HydrophobicContact CB-CG2 4.19Å; E83-T95 WeakPolarHBondContact OE2-CG2 3.42Å; V84-T95 CarbonylContact O-C 3.53Å; V84-T95 WeakPolarHBondContact O-CA 3.39Å; T85-T95 WeakPolarHBondContact CG2-OG1 2.9Å; T85-T95 WeakPolarHBondContact OG1-CG2 3.4Å; T85-T95 PolarHBondContact OG1-OG1 3.12Å
96	Y	90.9	Very high	79.3	Confident	55 Å²	55	100.3 Å²	100.3	22%	0.216	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	137.9	177.6	-174.2	-113	0	0	0	110.9	T64 V65 W68 E83 V84 E99	T64-Y96 VanDerWaalsContact CG2-CB 3.5Å; V65-Y96 HydrophobicContact CG2-CD1 4.32Å; V65-Y96 HydrophobicContact CG2-CD2 4.05Å; V65-Y96 HydrophobicContact CG2-CE1 4.23Å; V65-Y96 HydrophobicContact CG2-CE2 3.98Å; V65-Y96 HydrophobicContact CG2-CG 4.21Å; W68-Y96 HydrophobicContact CB-CD1 3.59Å; W68-Y96 HydrophobicContact CB-CE1 3.87Å; W68-Y96 AromaticContact CD1-CE1 3.64Å; W68-Y96 AromaticContact CD2-CD1 3.6Å; W68-Y96 HydrophobicContact CD2-CD1 3.6Å; W68-Y96 AromaticContact CD2-CE1 3.73Å; W68-Y96 HydrophobicContact CD2-CE1 3.73Å; W68-Y96 AromaticContact CE3-CD1 3.78Å; W68-Y96 HydrophobicContact CE3-CD1 3.78Å; W68-Y96 HydrophobicContact CE3-CE1 4.33Å; W68-Y96 AromaticContact CG-CD1 3.49Å; W68-Y96 HydrophobicContact CG-CD1 3.49Å; W68-Y96 VanDerWaalsContact CG-CD1 3.49Å; W68-Y96 AromaticContact CG-CE1 3.45Å; W68-Y96 HydrophobicContact CG-CE1 3.45Å; W68-Y96 VanDerWaalsContact CG-CE1 3.45Å; E83-Y96 CarbonylContact C-O 3.58Å; E83-Y96 WeakPolarHBondContact CA-O 3Å; V84-Y96 PolarHBondContact N-O 2.92Å; V84-Y96 PolarHBondContact O-N 2.89Å; Y96-E99 PolarHBondContact OH-O 3.34Å
97	R	89.5	Confident	78.8	Confident	132 Å²	132	105 Å²	105	50%	0.498	58%	0.58	S	S	.	*			trans	-122.7	15.6	-174.7	-64	-172.5	173.7	173.8	-1.2	114	W68 E83	W68-R97 WeakPolarHBondContact CH2-O 3.02Å; E83-R97 HydrophobicContact CB-CG 3.79Å; E83-R97 IonicContact OE2-CZ 3.52Å; E83-R97 IonicContact OE2-NE 3.23Å; E83-R97 PolarHBondContact OE2-NE 3.15Å; E83-R97 IonicContact OE2-NH2 2.9Å; E83-R97 PolarHBondContact OE2-NH2 2.93Å
98	G	83.9	Confident	78.2	Confident	19 Å²	19	103.4 Å²	103.4	20%	0.196	58%	0.579	C	S	.	*			trans	72.1	29	179.8	0	0	0	0	0	114.2	W68 V100	W68-G98 VanDerWaalsContact CE2-CA 3.5Å; G98-V100 PolarHBondContact O-N 3.31Å
99	E	79	Confident	77.9	Confident	154 Å²	154	102.6 Å²	102.6	72%	0.72	58%	0.582	S	S	*	*			trans	-55.4	107.8	171.2	-69.9	-179.2	113.7	0	0	108.6	Y96 N101	Y96-E99 PolarHBondContact OH-O 3.34Å; E99-N101 PolarHBondContact O-N 3.21Å; E99-N101 VanDerWaalsContact O-N 3.11Å
100	V	60.1	Low	77.4	Confident	127 Å²	127	105.2 Å²	105.2	77%	0.77	59%	0.594	S	S	*	*			trans	-66.9	111.5	173.9	-172.6	0	0	0	0	105.1	G98 A102	G98-V100 PolarHBondContact O-N 3.31Å; V100-A102 PolarHBondContact O-N 3.4Å
101	N	42.8	Very low	76.8	Confident	165 Å²	165	97 Å²	97	88%	0.882	56%	0.564	S	S	*	*			trans	-55.2	99.2	160	-88.3	-20.1	0	0	0	106.3	E99	E99-N101 PolarHBondContact O-N 3.21Å; E99-N101 VanDerWaalsContact O-N 3.11Å
102	A	32.5	Very low	75.9	Confident	164 Å²	164	93.4 Å²	93.4	100%	1.355	54%	0.539	S	S	*	.			trans	-70	0	170.2	0	0	0	0	0	110.2	V100	V100-A102 PolarHBondContact O-N 3.4Å

Retrieved 102 of 102 residues in 18.6 ms (Link to these results)

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