X2JEG4_DROME Loading...

DUF4777 domain-containing protein

AlphaFold DB , UniProt , Accession X2JEG4, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG45490, Length 92 aa.

						>X2JEG4_DROME|X2JEG4|Dmel\CG45490
MSHKKANISHLVIQCIDAMGGFASKEVILKAVSTATDKKFWKMGRRIDDALDTLIVDGVIRTHNDNYYLNMLEETASASHCNSGSDSDSDSD
					

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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	37.1	Very low	63.1	Low	230 Å²	230	117 Å²	117	100%	1.133	60%	0.603	S	S	*	*				0	113	0	-59.5	-179.9	-161.1	0	0	106.7	H3	M1-H3 PolarHBondContact O-N 3.04Å
2	S	42.1	Very low	65.1	Low	117 Å²	117	107.3 Å²	107.3	82%	0.818	55%	0.553	S	S	*	*			trans	-59.2	113.8	-178	-56.6	0	0	0	0	108.4	K4	S2-K4 PolarHBondContact O-N 3.23Å
3	H	45.6	Very low	67.1	Low	188 Å²	188	102.6 Å²	102.6	87%	0.87	53%	0.529	S	S	*	.			trans	-64.9	69.3	163.4	-66.3	-84	0	0	0	107.2	M1 K5	M1-H3 PolarHBondContact O-N 3.04Å; H3-K5 PolarHBondContact O-N 3.1Å
4	K	47.2	Very low	68.6	Low	187 Å²	187	102.9 Å²	102.9	81%	0.813	53%	0.527	S	S	*	.			trans	-52.6	111.7	164.6	-94.7	179.3	173.4	173.7	0	103	S2 A6	S2-K4 PolarHBondContact O-N 3.23Å; K4-A6 VanDerWaalsContact C-N 3.32Å; K4-A6 PolarHBondContact O-N 3.12Å
5	K	48.9	Very low	69.9	Low	202 Å²	202	97.1 Å²	97.1	88%	0.878	50%	0.499	S	S	*	.			trans	-40.1	106	171.1	-89.6	170.8	173.1	168.8	0	105.6	H3 N7	H3-K5 PolarHBondContact O-N 3.1Å; K5-N7 VanDerWaalsContact C-N 3.34Å; K5-N7 PolarHBondContact O-N 2.97Å
6	A	56.5	Low	71.1	Confident	80 Å²	80	91 Å²	91	66%	0.661	47%	0.467	S	S	*	.			trans	-57.2	109.9	177.5	0	0	0	0	0	104.4	K4 I8	K4-A6 VanDerWaalsContact C-N 3.32Å; K4-A6 PolarHBondContact O-N 3.12Å; A6-I8 PolarHBondContact O-N 3.32Å
7	N	75.6	Confident	72.2	Confident	109 Å²	109	91 Å²	91	58%	0.583	47%	0.469	S	S	*	.			trans	-63.2	137.3	-178.5	-164.9	-13.4	0	0	0	106	K5 S9 H10 L11	K5-N7 VanDerWaalsContact C-N 3.34Å; K5-N7 PolarHBondContact O-N 2.97Å; N7-S9 PolarHBondContact O-N 2.98Å; N7-S9 VanDerWaalsContact O-N 3.12Å; N7-H10 WeakPolarHBondContact O-CB 3.42Å; N7-H10 PolarHBondContact O-N 3.26Å; N7-L11 PolarHBondContact O-N 3.14Å
8	I	82.7	Confident	73	Confident	14 Å²	14	90.9 Å²	90.9	7%	0.072	48%	0.483	C	S	.	.	H	α-helix	trans	-55.8	-35.1	-175.6	-75.4	170.5	0	0	0	110.1	A6 H10 L11 V12 M43 R46 I47 A50	A6-I8 PolarHBondContact O-N 3.32Å; I8-H10 VanDerWaalsContact C-N 3.33Å; I8-H10 PolarHBondContact O-N 3.43Å; I8-L11 WeakPolarHBondContact O-CB 3.5Å; I8-L11 PolarHBondContact O-N 2.64Å; I8-L11 VanDerWaalsContact O-N 3.15Å; I8-V12 HydrophobicContact CG2-CG2 4.14Å; I8-V12 WeakPolarHBondContact O-CG2 3.31Å; I8-V12 PolarHBondContact O-N 3.32Å; I8-M43 HydrophobicContact CD1-CE 3.8Å; I8-M43 HydrophobicContact CG1-CE 4.13Å; I8-R46 HydrophobicContact CD1-CB 3.67Å; I8-R46 HydrophobicContact CD1-CG 4.43Å; I8-I47 HydrophobicContact CG2-CG1 4.03Å; I8-A50 HydrophobicContact CG2-CB 3.83Å
9	S	84.9	Confident	73.8	Confident	22 Å²	22	89.4 Å²	89.4	15%	0.154	47%	0.474	C	S	.	.	H	α-helix	trans	-57.1	-42.7	175.1	-41.8	0	0	0	0	113	N7 L11 V12 I13	N7-S9 PolarHBondContact O-N 2.98Å; N7-S9 VanDerWaalsContact O-N 3.12Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.94Å; S9-V12 PolarHBondContact O-N 3.38Å; S9-I13 WeakPolarHBondContact O-CG1 2.89Å; S9-I13 PolarHBondContact O-N 3.48Å
10	H	86.2	Confident	74.4	Confident	113 Å²	113	88 Å²	88	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-67.8	-39	178.6	-154.3	151.6	0	0	0	110.8	N7 I8 I13 Q14	N7-H10 WeakPolarHBondContact O-CB 3.42Å; N7-H10 PolarHBondContact O-N 3.26Å; I8-H10 VanDerWaalsContact C-N 3.33Å; I8-H10 PolarHBondContact O-N 3.43Å; H10-I13 PolarHBondContact O-N 3.46Å; H10-Q14 WeakPolarHBondContact O-CG 3.24Å; H10-Q14 PolarHBondContact O-N 3.24Å
11	L	86.7	Confident	75.1	Confident	25 Å²	25	84.2 Å²	84.2	13%	0.131	46%	0.464	C	S	.	.	H	α-helix	trans	-65.9	-39.3	175.8	-173.9	64.5	0	0	0	111.8	N7 I8 S9 Q14 C15 V32 A35 T36	N7-L11 PolarHBondContact O-N 3.14Å; I8-L11 WeakPolarHBondContact O-CB 3.5Å; I8-L11 PolarHBondContact O-N 2.64Å; I8-L11 VanDerWaalsContact O-N 3.15Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.94Å; L11-Q14 PolarHBondContact O-N 2.88Å; L11-C15 WeakPolarHBondContact O-CB 3.44Å; L11-C15 PolarHBondContact O-N 3.46Å; L11-C15 PolarHBondContact O-SG 3.25Å; L11-V32 HydrophobicContact CD2-CB 4.43Å; L11-V32 HydrophobicContact CD2-CG1 3.84Å; L11-V32 HydrophobicContact CD2-CG2 4.4Å; L11-V32 HydrophobicContact CG-CG2 4.32Å; L11-A35 HydrophobicContact CD1-CB 4Å; L11-A35 HydrophobicContact CD2-CB 4.17Å; L11-T36 HydrophobicContact CD2-CG2 3.32Å
12	V	88.1	Confident	77.6	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-60.6	-46.6	174.6	168.2	0	0	0	0	110.7	I8 S9 Q14 C15 I16 I28 V32 I47 L51 L54	I8-V12 HydrophobicContact CG2-CG2 4.14Å; I8-V12 WeakPolarHBondContact O-CG2 3.31Å; I8-V12 PolarHBondContact O-N 3.32Å; S9-V12 PolarHBondContact O-N 3.38Å; V12-Q14 PolarHBondContact O-N 2.69Å; V12-C15 PolarHBondContact O-N 2.9Å; V12-I16 HydrophobicContact CG1-CD1 3.79Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.48Å; V12-I16 PolarHBondContact O-N 3.46Å; V12-I28 HydrophobicContact CG1-CG2 4.01Å; V12-I28 HydrophobicContact CG2-CG2 4.1Å; V12-V32 HydrophobicContact CG2-CG2 4.01Å; V12-I47 HydrophobicContact CG2-CG2 4.39Å; V12-L51 HydrophobicContact CG1-CD2 3.65Å; V12-L51 HydrophobicContact CG1-CG 4.43Å; V12-L54 HydrophobicContact CB-CD1 4.25Å; V12-L54 HydrophobicContact CG1-CD1 3.91Å
13	I	90.1	Very high	79.9	Confident	47 Å²	47	73.2 Å²	73.2	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-56.5	-51	175.1	-68.7	163.5	0	0	0	110.6	S9 H10 C15 I16 D17 L54 V59 L69	S9-I13 WeakPolarHBondContact O-CG1 2.89Å; S9-I13 PolarHBondContact O-N 3.48Å; H10-I13 PolarHBondContact O-N 3.46Å; I13-C15 VanDerWaalsContact C-N 3.29Å; I13-C15 PolarHBondContact O-N 3.11Å; I13-I16 PolarHBondContact O-N 2.89Å; I13-I16 VanDerWaalsContact O-N 3.16Å; I13-D17 WeakPolarHBondContact O-CB 3.35Å; I13-D17 PolarHBondContact O-N 2.9Å; I13-L54 HydrophobicContact CD1-CD2 3.71Å; I13-L54 HydrophobicContact CG1-CD1 4Å; I13-L54 HydrophobicContact CG1-CD2 4.06Å; I13-V59 HydrophobicContact CD1-CG1 3.93Å; I13-V59 HydrophobicContact CG1-CG1 4.17Å; I13-L69 HydrophobicContact CG1-CD2 4.41Å; I13-L69 HydrophobicContact CG2-CD2 3.91Å
14	Q	88.7	Confident	82.1	Confident	107 Å²	107	65.8 Å²	65.8	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-37.7	179.4	-74.3	178.9	-25.4	0	0	112.6	H10 L11 V12 A18	H10-Q14 WeakPolarHBondContact O-CG 3.24Å; H10-Q14 PolarHBondContact O-N 3.24Å; L11-Q14 PolarHBondContact O-N 2.88Å; V12-Q14 PolarHBondContact O-N 2.69Å; Q14-A18 WeakPolarHBondContact O-CB 3.1Å; Q14-A18 PolarHBondContact O-N 2.96Å
15	C	87.7	Confident	84.1	Confident	15 Å²	15	60.5 Å²	60.5	10%	0.101	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-46	174.9	-70.7	0	0	0	0	111.4	L11 V12 I13 D17 A18 M19 A31	L11-C15 WeakPolarHBondContact O-CB 3.44Å; L11-C15 PolarHBondContact O-N 3.46Å; L11-C15 PolarHBondContact O-SG 3.25Å; V12-C15 PolarHBondContact O-N 2.9Å; I13-C15 VanDerWaalsContact C-N 3.29Å; I13-C15 PolarHBondContact O-N 3.11Å; C15-D17 VanDerWaalsContact C-N 3.34Å; C15-A18 PolarHBondContact O-N 3.29Å; C15-M19 VanDerWaalsContact C-CE 3.45Å; C15-M19 HydrophobicContact CB-CE 4.05Å; C15-M19 WeakPolarHBondContact O-CE 3.41Å; C15-M19 VanDerWaalsContact O-CG 3.31Å; C15-M19 WeakPolarHBondContact O-CG 3.46Å; C15-M19 PolarHBondContact O-N 3.16Å; C15-A31 HydrophobicContact CB-CB 4.01Å
16	I	89.9	Confident	86	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-42.3	178.8	-62.1	165.4	0	0	0	110.4	V12 I13 M19 G21 A23 I28 I60 L69	V12-I16 HydrophobicContact CG1-CD1 3.79Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.48Å; V12-I16 PolarHBondContact O-N 3.46Å; I13-I16 PolarHBondContact O-N 2.89Å; I13-I16 VanDerWaalsContact O-N 3.16Å; I16-M19 PolarHBondContact O-N 2.79Å; I16-G21 VanDerWaalsContact CG2-C 3.47Å; I16-G21 WeakPolarHBondContact O-CA 3.41Å; I16-G21 PolarHBondContact O-N 2.94Å; I16-A23 HydrophobicContact CG1-CB 4.46Å; I16-I28 HydrophobicContact CD1-CD1 3.88Å; I16-I28 HydrophobicContact CG1-CD1 3.77Å; I16-I28 HydrophobicContact CG1-CG1 4Å; I16-I60 HydrophobicContact CD1-CG2 4.08Å; I16-L69 HydrophobicContact CB-CD1 4.1Å; I16-L69 HydrophobicContact CB-CG 4.13Å; I16-L69 HydrophobicContact CG2-CB 4.42Å; I16-L69 HydrophobicContact CG2-CD1 3.89Å; I16-L69 HydrophobicContact CG2-CG 3.68Å
17	D	89.1	Confident	87.5	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-48.3	177.5	-171.4	45	0	0	0	111.8	I13 C15 M19 G20 L69 M71	I13-D17 WeakPolarHBondContact O-CB 3.35Å; I13-D17 PolarHBondContact O-N 2.9Å; C15-D17 VanDerWaalsContact C-N 3.34Å; D17-M19 PolarHBondContact O-N 3.16Å; D17-G20 PolarHBondContact O-N 3.18Å; D17-L69 HydrophobicContact CB-CD1 3.68Å; D17-M71 WeakPolarHBondContact OD1-CE 3.45Å
18	A	87.6	Confident	88.2	Confident	89 Å²	89	52.5 Å²	52.5	74%	0.736	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-19.2	176.9	0	0	0	0	0	113.9	Q14 C15	Q14-A18 WeakPolarHBondContact O-CB 3.1Å; Q14-A18 PolarHBondContact O-N 2.96Å; C15-A18 PolarHBondContact O-N 3.29Å
19	M	87.1	Confident	88.4	Confident	62 Å²	62	52.2 Å²	52.2	31%	0.305	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.1	176.1	-70	-175.8	-84.6	0	0	113.8	C15 I16 D17 A23 V27 I28	C15-M19 VanDerWaalsContact C-CE 3.45Å; C15-M19 HydrophobicContact CB-CE 4.05Å; C15-M19 WeakPolarHBondContact O-CE 3.41Å; C15-M19 VanDerWaalsContact O-CG 3.31Å; C15-M19 WeakPolarHBondContact O-CG 3.46Å; C15-M19 PolarHBondContact O-N 3.16Å; I16-M19 PolarHBondContact O-N 2.79Å; D17-M19 PolarHBondContact O-N 3.16Å; M19-A23 HydrophobicContact CB-CB 4.47Å; M19-A23 HydrophobicContact CE-CB 3.18Å; M19-A23 HydrophobicContact SD-CB 3.58Å; M19-A23 VanDerWaalsContact SD-CB 3.58Å; M19-V27 HydrophobicContact CE-CG1 4.14Å; M19-V27 HydrophobicContact SD-CB 4.17Å; M19-V27 HydrophobicContact SD-CG1 3.18Å; M19-V27 WeakPolarHBondContact SD-CG1 3.28Å; M19-I28 HydrophobicContact CE-CG1 4.16Å
20	G	86.4	Confident	88.6	Confident	61 Å²	61	58.4 Å²	58.4	63%	0.629	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	25.7	-178.4	0	0	0	0	0	113.5	D17	D17-G20 PolarHBondContact O-N 3.18Å
21	G	89.3	Confident	88.6	Confident	10 Å²	10	54.3 Å²	54.3	10%	0.103	30%	0.304	C	S	.	.	S	Bend	trans	85.2	4.4	174.6	0	0	0	0	0	115	I16 Y68 L69	I16-G21 VanDerWaalsContact CG2-C 3.47Å; I16-G21 WeakPolarHBondContact O-CA 3.41Å; I16-G21 PolarHBondContact O-N 2.94Å; G21-Y68 CarbonylContact O-C 3.58Å; G21-Y68 WeakPolarHBondContact O-CA 3.39Å; G21-L69 PolarHBondContact O-N 2.86Å
22	F	89.4	Confident	88.5	Confident	109 Å²	109	53.1 Å²	53.1	48%	0.478	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148.3	172.7	72.2	-82	0	0	0	112.7	Y67 Y68	F22-Y67 CarbonylContact C-O 3.5Å; F22-Y67 WeakPolarHBondContact CA-O 3.31Å; F22-Y68 HydrophobicContact CB-CD1 3.3Å; F22-Y68 HydrophobicContact CB-CE1 3.5Å; F22-Y68 HydrophobicContact CB-CG 3.97Å; F22-Y68 HydrophobicContact CD2-CE1 4.24Å; F22-Y68 HydrophobicContact CG-CD1 4.14Å; F22-Y68 AromaticContact CG-CE1 3.91Å; F22-Y68 HydrophobicContact CG-CE1 3.91Å
23	A	90.9	Very high	88.3	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	151.1	176	0	0	0	0	0	112.8	I16 M19 I28 Y67	I16-A23 HydrophobicContact CG1-CB 4.46Å; M19-A23 HydrophobicContact CB-CB 4.47Å; M19-A23 HydrophobicContact CE-CB 3.18Å; M19-A23 HydrophobicContact SD-CB 3.58Å; M19-A23 VanDerWaalsContact SD-CB 3.58Å; A23-I28 HydrophobicContact CB-CD1 4.15Å; A23-I28 HydrophobicContact CB-CG1 3.67Å; A23-Y67 PolarHBondContact N-O 3.37Å; A23-Y67 PolarHBondContact O-N 2.92Å
24	S	91.6	Very high	88.1	Confident	32 Å²	32	57.3 Å²	57.3	22%	0.224	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	159	171.3	76.7	0	0	0	0	111.4	E26 V27 I28 N66	S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 2.92Å; S24-V27 PolarHBondContact O-N 3.16Å; S24-V27 VanDerWaalsContact O-N 3.09Å; S24-V27 VanDerWaalsContact OG-CG2 3.31Å; S24-V27 WeakPolarHBondContact OG-CG2 3.38Å; S24-I28 WeakPolarHBondContact O-CG1 3.31Å; S24-I28 PolarHBondContact O-N 3.03Å; S24-N66 WeakPolarHBondContact CA-OD1 3.18Å; S24-N66 WeakPolarHBondContact CB-OD1 3.38Å; S24-N66 PolarHBondContact N-OD1 2.92Å
25	K	88.3	Confident	87.8	Confident	77 Å²	77	55.3 Å²	55.3	34%	0.335	33%	0.329	S	S	.	.	H	α-helix	trans	-50.1	-46.5	176.9	-172.7	167.6	169.8	163.9	0	112.8	V27 I28 L29 D48 Y67	K25-V27 VanDerWaalsContact C-N 3.34Å; K25-V27 PolarHBondContact O-N 2.7Å; K25-I28 PolarHBondContact O-N 3.42Å; K25-L29 HydrophobicContact CD-CD1 4.49Å; K25-L29 HydrophobicContact CG-CD1 3.73Å; K25-L29 WeakPolarHBondContact O-CB 3.17Å; K25-L29 WeakPolarHBondContact O-CD1 3.45Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.24Å; K25-L29 PolarHBondContact O-N 2.75Å; K25-D48 WeakPolarHBondContact CE-OD1 3.31Å; K25-D48 IonicContact NZ-OD1 2.88Å; K25-D48 PolarHBondContact NZ-OD1 2.69Å; K25-D48 IonicContact NZ-OD2 2.69Å; K25-D48 PolarHBondContact NZ-OD2 2.96Å; K25-Y67 HydrophobicContact CB-CE2 3.85Å; K25-Y67 HydrophobicContact CG-CE2 4.38Å
26	E	88.6	Confident	87.4	Confident	155 Å²	155	56.6 Å²	56.6	72%	0.724	34%	0.336	S	S	*	.	H	α-helix	trans	-62.8	-40.8	-179.2	-69.7	-169.1	157.4	0	0	112.4	S24 L29 K30	S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 2.92Å; E26-L29 PolarHBondContact O-N 3.48Å; E26-K30 WeakPolarHBondContact O-CB 3.42Å; E26-K30 PolarHBondContact O-N 3.44Å
27	V	89.4	Confident	86.8	Confident	67 Å²	67	64 Å²	64	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-70.7	-41.7	-179.3	-173	0	0	0	0	110.4	M19 S24 K25 L29 K30 A31	M19-V27 HydrophobicContact CE-CG1 4.14Å; M19-V27 HydrophobicContact SD-CB 4.17Å; M19-V27 HydrophobicContact SD-CG1 3.18Å; M19-V27 WeakPolarHBondContact SD-CG1 3.28Å; S24-V27 PolarHBondContact O-N 3.16Å; S24-V27 VanDerWaalsContact O-N 3.09Å; S24-V27 VanDerWaalsContact OG-CG2 3.31Å; S24-V27 WeakPolarHBondContact OG-CG2 3.38Å; K25-V27 VanDerWaalsContact C-N 3.34Å; K25-V27 PolarHBondContact O-N 2.7Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 2.9Å; V27-K30 PolarHBondContact O-N 2.68Å; V27-A31 VanDerWaalsContact O-CB 3.31Å; V27-A31 WeakPolarHBondContact O-CB 3.5Å; V27-A31 PolarHBondContact O-N 3.46Å
28	I	89.1	Confident	86	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-47.5	173.5	-64.1	168.1	0	0	0	110.2	V12 I16 M19 A23 S24 K25 K30 A31 V32 I47 L51 Y67	V12-I28 HydrophobicContact CG1-CG2 4.01Å; V12-I28 HydrophobicContact CG2-CG2 4.1Å; I16-I28 HydrophobicContact CD1-CD1 3.88Å; I16-I28 HydrophobicContact CG1-CD1 3.77Å; I16-I28 HydrophobicContact CG1-CG1 4Å; M19-I28 HydrophobicContact CE-CG1 4.16Å; A23-I28 HydrophobicContact CB-CD1 4.15Å; A23-I28 HydrophobicContact CB-CG1 3.67Å; S24-I28 WeakPolarHBondContact O-CG1 3.31Å; S24-I28 PolarHBondContact O-N 3.03Å; K25-I28 PolarHBondContact O-N 3.42Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.02Å; I28-A31 PolarHBondContact O-N 3.42Å; I28-V32 HydrophobicContact CG2-CG2 4.15Å; I28-V32 WeakPolarHBondContact O-CB 3.33Å; I28-V32 VanDerWaalsContact O-CG2 3.28Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 2.83Å; I28-I47 HydrophobicContact CG2-CG2 4.18Å; I28-L51 HydrophobicContact CD1-CD2 4.09Å; I28-Y67 HydrophobicContact CD1-CD2 3.48Å; I28-Y67 VanDerWaalsContact CD1-CD2 3.48Å; I28-Y67 HydrophobicContact CD1-CE2 4.29Å; I28-Y67 HydrophobicContact CD1-CG 4Å
29	L	87.5	Confident	85	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-44.2	178.2	-82	161.1	0	0	0	112.2	K25 E26 V27 S33 F40 I47	K25-L29 HydrophobicContact CD-CD1 4.49Å; K25-L29 HydrophobicContact CG-CD1 3.73Å; K25-L29 WeakPolarHBondContact O-CB 3.17Å; K25-L29 WeakPolarHBondContact O-CD1 3.45Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.24Å; K25-L29 PolarHBondContact O-N 2.75Å; E26-L29 PolarHBondContact O-N 3.48Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 2.9Å; L29-S33 WeakPolarHBondContact O-CB 3.21Å; L29-S33 PolarHBondContact O-N 3.46Å; L29-F40 HydrophobicContact CB-CD2 3.76Å; L29-F40 HydrophobicContact CB-CE2 3.54Å; L29-F40 HydrophobicContact CD1-CD2 4.48Å; L29-F40 HydrophobicContact CD1-CE2 3.55Å; L29-F40 HydrophobicContact CD1-CZ 4.14Å; L29-F40 HydrophobicContact CD2-CD2 4.11Å; L29-F40 HydrophobicContact CD2-CE2 3.92Å; L29-F40 HydrophobicContact CG-CD2 4.34Å; L29-F40 HydrophobicContact CG-CE2 3.86Å; L29-I47 HydrophobicContact CD2-CB 4.04Å; L29-I47 HydrophobicContact CD2-CD1 3.37Å; L29-I47 HydrophobicContact CD2-CG1 4.3Å; L29-I47 HydrophobicContact CD2-CG2 4.08Å; L29-I47 HydrophobicContact CG-CD1 4.31Å; L29-I47 HydrophobicContact CG-CG2 4.33Å
30	K	88.1	Confident	83.9	Confident	152 Å²	152	70.9 Å²	70.9	66%	0.661	38%	0.383	S	S	*	.	H	α-helix	trans	-66.7	-43.4	177.8	-170.4	175.9	-178.5	-179.3	0	111.8	E26 V27 I28 S33 T34	E26-K30 WeakPolarHBondContact O-CB 3.42Å; E26-K30 PolarHBondContact O-N 3.44Å; V27-K30 PolarHBondContact O-N 2.68Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.02Å; K30-S33 PolarHBondContact O-N 3.42Å; K30-T34 WeakPolarHBondContact O-CB 3.33Å; K30-T34 PolarHBondContact O-N 2.73Å; K30-T34 PolarHBondContact O-OG1 3.09Å
31	A	87.4	Confident	82.8	Confident	28 Å²	28	79.1 Å²	79.1	23%	0.231	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-49.3	178	0	0	0	0	0	111.5	C15 V27 I28 S33 T34 A35	C15-A31 HydrophobicContact CB-CB 4.01Å; V27-A31 VanDerWaalsContact O-CB 3.31Å; V27-A31 WeakPolarHBondContact O-CB 3.5Å; V27-A31 PolarHBondContact O-N 3.46Å; I28-A31 PolarHBondContact O-N 3.42Å; A31-S33 PolarHBondContact O-N 3Å; A31-T34 PolarHBondContact O-N 3.39Å; A31-A35 WeakPolarHBondContact O-CB 3.31Å; A31-A35 PolarHBondContact O-N 2.85Å
32	V	84.9	Confident	81.8	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-64.5	-40.1	177.5	173.1	0	0	0	0	111.4	L11 V12 I28 T34 A35 T36 M43 I47	L11-V32 HydrophobicContact CD2-CB 4.43Å; L11-V32 HydrophobicContact CD2-CG1 3.84Å; L11-V32 HydrophobicContact CD2-CG2 4.4Å; L11-V32 HydrophobicContact CG-CG2 4.32Å; V12-V32 HydrophobicContact CG2-CG2 4.01Å; I28-V32 HydrophobicContact CG2-CG2 4.15Å; I28-V32 WeakPolarHBondContact O-CB 3.33Å; I28-V32 VanDerWaalsContact O-CG2 3.28Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 2.83Å; V32-T34 VanDerWaalsContact C-N 3.31Å; V32-T34 PolarHBondContact O-N 3.28Å; V32-A35 PolarHBondContact O-N 2.94Å; V32-T36 HydrophobicContact CG1-CG2 4.29Å; V32-T36 WeakPolarHBondContact O-CB 3.39Å; V32-T36 WeakPolarHBondContact O-CG2 3.46Å; V32-T36 PolarHBondContact O-N 3.25Å; V32-T36 PolarHBondContact O-OG1 2.92Å; V32-M43 HydrophobicContact CG1-CE 4.14Å; V32-M43 HydrophobicContact CG1-CG 4.21Å; V32-I47 HydrophobicContact CB-CD1 3.84Å; V32-I47 HydrophobicContact CG1-CD1 3.63Å; V32-I47 HydrophobicContact CG1-CG1 4.1Å; V32-I47 HydrophobicContact CG2-CD1 4.4Å
33	S	84.5	Confident	81	Confident	25 Å²	25	82.4 Å²	82.4	18%	0.175	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175.9	-176	0	0	0	0	111.4	L29 K30 A31 D37 K38 F40	L29-S33 WeakPolarHBondContact O-CB 3.21Å; L29-S33 PolarHBondContact O-N 3.46Å; K30-S33 PolarHBondContact O-N 3.42Å; A31-S33 PolarHBondContact O-N 3Å; S33-D37 PolarHBondContact O-N 3.28Å; S33-D37 VanDerWaalsContact O-N 3.11Å; S33-K38 WeakPolarHBondContact CB-O 3.4Å; S33-K38 PolarHBondContact O-N 2.84Å; S33-K38 PolarHBondContact OG-O 3.44Å; S33-F40 PolarHBondContact OG-N 2.97Å
34	T	84.5	Confident	80.4	Confident	110 Å²	110	82.8 Å²	82.8	68%	0.675	41%	0.411	S	S	*	.	H	α-helix	trans	-67	-45.4	176.7	-53.3	0	0	0	0	111.2	K30 A31 V32 T36 D37	K30-T34 WeakPolarHBondContact O-CB 3.33Å; K30-T34 PolarHBondContact O-N 2.73Å; K30-T34 PolarHBondContact O-OG1 3.09Å; A31-T34 PolarHBondContact O-N 3.39Å; V32-T34 VanDerWaalsContact C-N 3.31Å; V32-T34 PolarHBondContact O-N 3.28Å; T34-T36 VanDerWaalsContact C-N 3.35Å; T34-T36 PolarHBondContact O-N 3.23Å; T34-D37 PolarHBondContact O-N 2.86Å
35	A	82.5	Confident	80	Confident	65 Å²	65	90.9 Å²	90.9	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-70.1	-28.6	-178.1	0	0	0	0	0	113.7	L11 A31 V32	L11-A35 HydrophobicContact CD1-CB 4Å; L11-A35 HydrophobicContact CD2-CB 4.17Å; A31-A35 WeakPolarHBondContact O-CB 3.31Å; A31-A35 PolarHBondContact O-N 2.85Å; V32-A35 PolarHBondContact O-N 2.94Å
36	T	79.3	Confident	79.8	Confident	41 Å²	41	93.3 Å²	93.3	25%	0.252	44%	0.444	S	S	.	.	H	α-helix	trans	-97.7	-4.2	179.7	57.3	0	0	0	0	114.4	L11 V32 T34 K38 M43	L11-T36 HydrophobicContact CD2-CG2 3.32Å; V32-T36 HydrophobicContact CG1-CG2 4.29Å; V32-T36 WeakPolarHBondContact O-CB 3.39Å; V32-T36 WeakPolarHBondContact O-CG2 3.46Å; V32-T36 PolarHBondContact O-N 3.25Å; V32-T36 PolarHBondContact O-OG1 2.92Å; T34-T36 VanDerWaalsContact C-N 3.35Å; T34-T36 PolarHBondContact O-N 3.23Å; T36-K38 PolarHBondContact O-N 3.41Å; T36-K38 VanDerWaalsContact O-N 3.14Å; T36-M43 HydrophobicContact CG2-CE 3.68Å; T36-M43 WeakPolarHBondContact OG1-CE 3.18Å
37	D	78.3	Confident	79.7	Confident	157 Å²	157	86 Å²	86	84%	0.84	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	34.9	-171.1	-163.2	26.7	0	0	0	112.6	S33 T34	S33-D37 PolarHBondContact O-N 3.28Å; S33-D37 VanDerWaalsContact O-N 3.11Å; T34-D37 PolarHBondContact O-N 2.86Å
38	K	72.1	Confident	79.7	Confident	109 Å²	109	85 Å²	85	47%	0.474	40%	0.401	S	S	.	.			trans	-115.9	136.6	-179.2	-77.5	176.6	-178	175.5	0	110.2	S33 T36 F40 M43	S33-K38 WeakPolarHBondContact CB-O 3.4Å; S33-K38 PolarHBondContact O-N 2.84Å; S33-K38 PolarHBondContact OG-O 3.44Å; T36-K38 PolarHBondContact O-N 3.41Å; T36-K38 VanDerWaalsContact O-N 3.14Å; K38-F40 PolarHBondContact O-N 3.29Å; K38-M43 HydrophobicContact CB-SD 3.86Å; K38-M43 HydrophobicContact CD-CE 4.07Å; K38-M43 HydrophobicContact CD-SD 3.79Å; K38-M43 HydrophobicContact CG-SD 4.47Å
39	K	67	Low	79.7	Confident	180 Å²	180	89.2 Å²	89.2	78%	0.783	42%	0.424	S	S	*	.			trans	-57.4	127.8	177.1	-70.5	-173.5	176.9	-177.1	0	111.4	W41 K42	K39-W41 VanDerWaalsContact C-N 3.29Å; K39-W41 PolarHBondContact O-N 3.15Å; K39-W41 VanDerWaalsContact O-N 3.12Å; K39-K42 PolarHBondContact O-N 2.97Å; K39-K42 VanDerWaalsContact O-N 3.1Å
40	F	64	Low	79.7	Confident	96 Å²	96	89.1 Å²	89.1	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-37.1	-49.4	176.3	167.7	-95.7	0	0	0	114.6	L29 S33 K38 K42 M43 G44	L29-F40 HydrophobicContact CB-CD2 3.76Å; L29-F40 HydrophobicContact CB-CE2 3.54Å; L29-F40 HydrophobicContact CD1-CD2 4.48Å; L29-F40 HydrophobicContact CD1-CE2 3.55Å; L29-F40 HydrophobicContact CD1-CZ 4.14Å; L29-F40 HydrophobicContact CD2-CD2 4.11Å; L29-F40 HydrophobicContact CD2-CE2 3.92Å; L29-F40 HydrophobicContact CG-CD2 4.34Å; L29-F40 HydrophobicContact CG-CE2 3.86Å; S33-F40 PolarHBondContact OG-N 2.97Å; K38-F40 PolarHBondContact O-N 3.29Å; F40-K42 VanDerWaalsContact C-N 3.32Å; F40-K42 PolarHBondContact O-N 2.91Å; F40-M43 PolarHBondContact O-N 3.45Å; F40-G44 PolarHBondContact O-N 3Å
41	W	62.9	Low	79.8	Confident	234 Å²	234	81.9 Å²	81.9	89%	0.886	39%	0.393	S	S	*	.	H	α-helix	trans	-60.9	-32.4	-175.8	-78.3	-6.7	0	0	0	115.2	K39 M43	K39-W41 VanDerWaalsContact C-N 3.29Å; K39-W41 PolarHBondContact O-N 3.15Å; K39-W41 VanDerWaalsContact O-N 3.12Å; W41-M43 VanDerWaalsContact C-N 3.3Å
42	K	68.3	Low	80	Confident	184 Å²	184	85.1 Å²	85.1	80%	0.8	41%	0.407	S	S	*	.	H	α-helix	trans	-82.7	-14.9	177.6	-69.7	-170.6	177.7	-176.3	0	112.5	K39 F40	K39-K42 PolarHBondContact O-N 2.97Å; K39-K42 VanDerWaalsContact O-N 3.1Å; F40-K42 VanDerWaalsContact C-N 3.32Å; F40-K42 PolarHBondContact O-N 2.91Å
43	M	72.7	Confident	80.2	Confident	5 Å²	5	88.3 Å²	88.3	3%	0.025	43%	0.426	C	S	.	.	H	α-helix	trans	-97	-28.2	-174	-137.6	77.6	173	0	0	112.1	I8 V32 T36 K38 F40 W41 R45 R46 I47	I8-M43 HydrophobicContact CD1-CE 3.8Å; I8-M43 HydrophobicContact CG1-CE 4.13Å; V32-M43 HydrophobicContact CG1-CE 4.14Å; V32-M43 HydrophobicContact CG1-CG 4.21Å; T36-M43 HydrophobicContact CG2-CE 3.68Å; T36-M43 WeakPolarHBondContact OG1-CE 3.18Å; K38-M43 HydrophobicContact CB-SD 3.86Å; K38-M43 HydrophobicContact CD-CE 4.07Å; K38-M43 HydrophobicContact CD-SD 3.79Å; K38-M43 HydrophobicContact CG-SD 4.47Å; F40-M43 PolarHBondContact O-N 3.45Å; W41-M43 VanDerWaalsContact C-N 3.3Å; M43-R45 PolarHBondContact O-N 3.5Å; M43-R46 PolarHBondContact O-N 3.15Å; M43-I47 HydrophobicContact CB-CD1 3.84Å; M43-I47 HydrophobicContact CG-CD1 3.61Å; M43-I47 HydrophobicContact CG-CG1 4.15Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.22Å
44	G	77.6	Confident	80.5	Confident	13 Å²	13	87.4 Å²	87.4	13%	0.134	42%	0.419	C	S	.	.	H	α-helix	trans	-44.4	-57	-176.8	0	0	0	0	0	113.7	F40 R46 I47 D48	F40-G44 PolarHBondContact O-N 3Å; G44-R46 VanDerWaalsContact C-N 3.33Å; G44-R46 PolarHBondContact O-N 3.34Å; G44-I47 PolarHBondContact O-N 3.32Å; G44-D48 VanDerWaalsContact O-CG 3.29Å; G44-D48 PolarHBondContact O-N 3.34Å
45	R	83.2	Confident	80.8	Confident	202 Å²	202	84.9 Å²	84.9	76%	0.762	40%	0.401	S	S	*	.	H	α-helix	trans	-60.6	-39.7	-179.9	-164.1	176.6	-169.3	-178.6	4.5	113.5	M43 I47 D48 D49	M43-R45 PolarHBondContact O-N 3.5Å; R45-I47 VanDerWaalsContact C-N 3.31Å; R45-I47 PolarHBondContact O-N 3.12Å; R45-D48 PolarHBondContact O-N 3.37Å; R45-D49 PolarHBondContact O-N 2.85Å
46	R	84.6	Confident	81.1	Confident	129 Å²	129	87.7 Å²	87.7	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-72.3	-29.2	-178.7	-57.9	-178.5	76.4	-163.6	1.3	112.2	I8 M43 G44 A50	I8-R46 HydrophobicContact CD1-CB 3.67Å; I8-R46 HydrophobicContact CD1-CG 4.43Å; M43-R46 PolarHBondContact O-N 3.15Å; G44-R46 VanDerWaalsContact C-N 3.33Å; G44-R46 PolarHBondContact O-N 3.34Å; R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.01Å; R46-A50 PolarHBondContact O-N 3.23Å; R46-A50 VanDerWaalsContact O-N 3.16Å
47	I	86.6	Confident	81.5	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-76.4	-40.5	175.6	-70.7	162.5	0	0	0	109.2	I8 V12 I28 L29 V32 M43 G44 R45 A50 L51	I8-I47 HydrophobicContact CG2-CG1 4.03Å; V12-I47 HydrophobicContact CG2-CG2 4.39Å; I28-I47 HydrophobicContact CG2-CG2 4.18Å; L29-I47 HydrophobicContact CD2-CB 4.04Å; L29-I47 HydrophobicContact CD2-CD1 3.37Å; L29-I47 HydrophobicContact CD2-CG1 4.3Å; L29-I47 HydrophobicContact CD2-CG2 4.08Å; L29-I47 HydrophobicContact CG-CD1 4.31Å; L29-I47 HydrophobicContact CG-CG2 4.33Å; V32-I47 HydrophobicContact CB-CD1 3.84Å; V32-I47 HydrophobicContact CG1-CD1 3.63Å; V32-I47 HydrophobicContact CG1-CG1 4.1Å; V32-I47 HydrophobicContact CG2-CD1 4.4Å; M43-I47 HydrophobicContact CB-CD1 3.84Å; M43-I47 HydrophobicContact CG-CD1 3.61Å; M43-I47 HydrophobicContact CG-CG1 4.15Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.22Å; G44-I47 PolarHBondContact O-N 3.32Å; R45-I47 VanDerWaalsContact C-N 3.31Å; R45-I47 PolarHBondContact O-N 3.12Å; I47-A50 CarbonylContact O-C 3.59Å; I47-A50 PolarHBondContact O-N 2.88Å; I47-A50 VanDerWaalsContact O-N 3.16Å; I47-L51 HydrophobicContact CG2-CD1 3.72Å; I47-L51 HydrophobicContact CG2-CG 4.21Å; I47-L51 WeakPolarHBondContact O-CB 3.39Å; I47-L51 VanDerWaalsContact O-CG 3.24Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.91Å
48	D	88.4	Confident	82	Confident	46 Å²	46	85.2 Å²	85.2	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-59.2	-50.1	173.6	-70	-11.3	0	0	0	111	K25 G44 R45 A50 L51 D52	K25-D48 WeakPolarHBondContact CE-OD1 3.31Å; K25-D48 IonicContact NZ-OD1 2.88Å; K25-D48 PolarHBondContact NZ-OD1 2.69Å; K25-D48 IonicContact NZ-OD2 2.69Å; K25-D48 PolarHBondContact NZ-OD2 2.96Å; G44-D48 VanDerWaalsContact O-CG 3.29Å; G44-D48 PolarHBondContact O-N 3.34Å; R45-D48 PolarHBondContact O-N 3.37Å; D48-A50 PolarHBondContact O-N 2.82Å; D48-L51 PolarHBondContact O-N 3.01Å; D48-L51 VanDerWaalsContact O-N 3.16Å; D48-D52 PolarHBondContact O-N 3.47Å
49	D	89.2	Confident	82.9	Confident	89 Å²	89	82.5 Å²	82.5	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-57.8	-38.5	175.3	-62.6	-23.1	0	0	0	111.8	R45 T53	R45-D49 PolarHBondContact O-N 2.85Å; D49-T53 WeakPolarHBondContact O-CB 3.22Å; D49-T53 PolarHBondContact O-N 3.24Å; D49-T53 PolarHBondContact O-OG1 3.16Å
50	A	88.4	Confident	84	Confident	6 Å²	6	74.1 Å²	74.1	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-70.9	-40.5	178.7	0	0	0	0	0	112.3	I8 R46 I47 D48 T53 L54	I8-A50 HydrophobicContact CG2-CB 3.83Å; R46-A50 VanDerWaalsContact O-CB 3.31Å; R46-A50 WeakPolarHBondContact O-CB 3.01Å; R46-A50 PolarHBondContact O-N 3.23Å; R46-A50 VanDerWaalsContact O-N 3.16Å; I47-A50 CarbonylContact O-C 3.59Å; I47-A50 PolarHBondContact O-N 2.88Å; I47-A50 VanDerWaalsContact O-N 3.16Å; D48-A50 PolarHBondContact O-N 2.82Å; A50-T53 PolarHBondContact O-N 3.26Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.38Å
51	L	89.7	Confident	85.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-46.4	176.2	-71.6	164.7	0	0	0	110.2	V12 I28 I47 D48 T53 L54 I55 I60 Y67	V12-L51 HydrophobicContact CG1-CD2 3.65Å; V12-L51 HydrophobicContact CG1-CG 4.43Å; I28-L51 HydrophobicContact CD1-CD2 4.09Å; I47-L51 HydrophobicContact CG2-CD1 3.72Å; I47-L51 HydrophobicContact CG2-CG 4.21Å; I47-L51 WeakPolarHBondContact O-CB 3.39Å; I47-L51 VanDerWaalsContact O-CG 3.24Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.91Å; D48-L51 PolarHBondContact O-N 3.01Å; D48-L51 VanDerWaalsContact O-N 3.16Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.05Å; L51-L54 PolarHBondContact O-N 3.17Å; L51-L54 VanDerWaalsContact O-N 3.15Å; L51-I55 VanDerWaalsContact O-CG1 3.24Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 3.47Å; L51-I60 HydrophobicContact CB-CD1 4.45Å; L51-I60 HydrophobicContact CD2-CD1 3.56Å; L51-Y67 HydrophobicContact CB-CE1 4.08Å; L51-Y67 HydrophobicContact CD1-CD2 4.47Å; L51-Y67 HydrophobicContact CD1-CE1 4.19Å; L51-Y67 HydrophobicContact CD1-CE2 3.83Å; L51-Y67 HydrophobicContact CD2-CD1 3.83Å; L51-Y67 HydrophobicContact CD2-CD2 4.13Å; L51-Y67 HydrophobicContact CD2-CE1 3.96Å; L51-Y67 HydrophobicContact CD2-CE2 4.24Å; L51-Y67 HydrophobicContact CD2-CG 3.91Å; L51-Y67 HydrophobicContact CG-CE1 4.3Å
52	D	91	Very high	86.6	Confident	97 Å²	97	69 Å²	69	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-44.2	176.8	-75.4	-14.5	0	0	0	111.3	D48 L54 I55 V56	D48-D52 PolarHBondContact O-N 3.47Å; D52-L54 PolarHBondContact O-N 3.34Å; D52-I55 PolarHBondContact O-N 2.89Å; D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.39Å; D52-V56 PolarHBondContact O-N 2.93Å
53	T	90.2	Very high	87.6	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-59.5	-46.4	175.3	-55	0	0	0	0	111.1	D49 A50 L51 I55 V56 D57	D49-T53 WeakPolarHBondContact O-CB 3.22Å; D49-T53 PolarHBondContact O-N 3.24Å; D49-T53 PolarHBondContact O-OG1 3.16Å; A50-T53 PolarHBondContact O-N 3.26Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.05Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.37Å; T53-V56 PolarHBondContact O-N 3.38Å; T53-D57 WeakPolarHBondContact O-CB 3.34Å; T53-D57 PolarHBondContact O-N 3.44Å
54	L	89.1	Confident	88.3	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-67.6	-28.8	-179.3	-70.2	171.2	0	0	0	113.4	V12 I13 A50 L51 D52 G58 V59 I60	V12-L54 HydrophobicContact CB-CD1 4.25Å; V12-L54 HydrophobicContact CG1-CD1 3.91Å; I13-L54 HydrophobicContact CD1-CD2 3.71Å; I13-L54 HydrophobicContact CG1-CD1 4Å; I13-L54 HydrophobicContact CG1-CD2 4.06Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.38Å; L51-L54 PolarHBondContact O-N 3.17Å; L51-L54 VanDerWaalsContact O-N 3.15Å; D52-L54 PolarHBondContact O-N 3.34Å; L54-G58 PolarHBondContact O-N 2.92Å; L54-V59 HydrophobicContact CB-CB 4.44Å; L54-V59 HydrophobicContact CD2-CB 3.95Å; L54-V59 HydrophobicContact CD2-CG1 4.02Å; L54-V59 HydrophobicContact CD2-CG2 4.2Å; L54-V59 PolarHBondContact O-N 3.28Å; L54-I60 HydrophobicContact CB-CD1 3.63Å; L54-I60 HydrophobicContact CB-CG1 3.67Å; L54-I60 HydrophobicContact CB-CG2 4.36Å; L54-I60 HydrophobicContact CD1-CD1 4.18Å; L54-I60 PolarHBondContact O-N 3.43Å
55	I	91.2	Very high	88.7	Confident	56 Å²	56	77 Å²	77	29%	0.287	39%	0.393	S	S	.	.	H	α-helix	trans	-71	-46.4	173	-66.8	164.5	0	0	0	110	L51 D52 T53 D57 G58 I60 T62 Y67	L51-I55 VanDerWaalsContact O-CG1 3.24Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 3.47Å; D52-I55 PolarHBondContact O-N 2.89Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.37Å; I55-D57 VanDerWaalsContact C-N 3.29Å; I55-D57 PolarHBondContact O-N 2.99Å; I55-G58 PolarHBondContact O-N 3.3Å; I55-I60 HydrophobicContact CG1-CD1 4.13Å; I55-I60 HydrophobicContact CG1-CG1 3.72Å; I55-T62 HydrophobicContact CD1-CG2 4.45Å; I55-Y67 HydrophobicContact CD1-CD1 4.41Å; I55-Y67 HydrophobicContact CD1-CE1 3.98Å
56	V	90.2	Very high	89.1	Confident	124 Å²	124	69.5 Å²	69.5	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-61.5	-39.9	177.4	171.3	0	0	0	0	111.1	D52 T53 G58	D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.39Å; D52-V56 PolarHBondContact O-N 2.93Å; T53-V56 PolarHBondContact O-N 3.38Å; V56-G58 PolarHBondContact O-N 2.92Å
57	D	87.8	Confident	89.5	Confident	109 Å²	109	64.6 Å²	64.6	58%	0.583	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.2	176.9	-68	-16.6	0	0	0	113	T53 I55 V59	T53-D57 WeakPolarHBondContact O-CB 3.34Å; T53-D57 PolarHBondContact O-N 3.44Å; I55-D57 VanDerWaalsContact C-N 3.29Å; I55-D57 PolarHBondContact O-N 2.99Å; D57-V59 VanDerWaalsContact C-N 3.26Å; D57-V59 HydrophobicContact CB-CG2 3.94Å; D57-V59 PolarHBondContact O-N 3.05Å
58	G	88.8	Confident	89.7	Confident	38 Å²	38	67.3 Å²	67.3	39%	0.392	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	15	-179.5	0	0	0	0	0	114.6	L54 I55 V56 N70	L54-G58 PolarHBondContact O-N 2.92Å; I55-G58 PolarHBondContact O-N 3.3Å; V56-G58 PolarHBondContact O-N 2.92Å; G58-N70 WeakPolarHBondContact O-CB 3.36Å; G58-N70 PolarHBondContact O-ND2 3.14Å
59	V	89.6	Confident	89.8	Confident	51 Å²	51	66.2 Å²	66.2	31%	0.309	35%	0.354	S	S	.	.	S	Bend	trans	-78.3	-36.7	179.4	-179.4	0	0	0	0	111.2	I13 L54 D57 L69 N70	I13-V59 HydrophobicContact CD1-CG1 3.93Å; I13-V59 HydrophobicContact CG1-CG1 4.17Å; L54-V59 HydrophobicContact CB-CB 4.44Å; L54-V59 HydrophobicContact CD2-CB 3.95Å; L54-V59 HydrophobicContact CD2-CG1 4.02Å; L54-V59 HydrophobicContact CD2-CG2 4.2Å; L54-V59 PolarHBondContact O-N 3.28Å; D57-V59 VanDerWaalsContact C-N 3.26Å; D57-V59 HydrophobicContact CB-CG2 3.94Å; D57-V59 PolarHBondContact O-N 3.05Å; V59-L69 HydrophobicContact CG1-CD2 4.4Å; V59-N70 VanDerWaalsContact O-CB 3.28Å; V59-N70 WeakPolarHBondContact O-CB 3.11Å; V59-N70 PolarHBondContact O-N 2.94Å
60	I	90.7	Very high	89.7	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.7	173.9	70.9	-176.7	0	0	0	110.3	I16 L51 L54 I55 Y67 Y68 L69	I16-I60 HydrophobicContact CD1-CG2 4.08Å; L51-I60 HydrophobicContact CB-CD1 4.45Å; L51-I60 HydrophobicContact CD2-CD1 3.56Å; L54-I60 HydrophobicContact CB-CD1 3.63Å; L54-I60 HydrophobicContact CB-CG1 3.67Å; L54-I60 HydrophobicContact CB-CG2 4.36Å; L54-I60 HydrophobicContact CD1-CD1 4.18Å; L54-I60 PolarHBondContact O-N 3.43Å; I55-I60 HydrophobicContact CG1-CD1 4.13Å; I55-I60 HydrophobicContact CG1-CG1 3.72Å; I60-Y67 HydrophobicContact CD1-CD1 3.79Å; I60-Y67 HydrophobicContact CD1-CG 4.36Å; I60-Y68 CarbonylContact C-O 3.6Å; I60-Y68 WeakPolarHBondContact CA-O 3.37Å; I60-Y68 WeakPolarHBondContact CB-O 3.28Å; I60-L69 HydrophobicContact CG2-CD2 3.9Å
61	R	91.5	Very high	88.7	Confident	144 Å²	144	70.7 Å²	70.7	54%	0.543	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.6	172.1	61.5	-175.2	-179.2	-172.7	-1.5	110	Y67 Y68	R61-Y67 CarbonylContact O-C 3.5Å; R61-Y67 WeakPolarHBondContact O-CA 3.38Å; R61-Y68 PolarHBondContact N-O 3.06Å; R61-Y68 PolarHBondContact O-N 2.87Å
62	T	89.9	Confident	87	Confident	79 Å²	79	77.7 Å²	77.7	49%	0.485	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.4	173.1	-175.6	0	0	0	0	110.2	I55 N66	I55-T62 HydrophobicContact CD1-CG2 4.45Å; T62-N66 CarbonylContact C-O 3.59Å; T62-N66 WeakPolarHBondContact CA-O 3.31Å
63	H	88.8	Confident	85	Confident	105 Å²	105	81.4 Å²	81.4	49%	0.486	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	125.3	174.6	178.5	-96.1	0	0	0	109.9	D65 N66 Y68	H63-D65 VanDerWaalsContact C-N 3.35Å; H63-D65 PolarHBondContact O-N 3.29Å; H63-N66 PolarHBondContact N-O 2.89Å; H63-N66 WeakPolarHBondContact O-CB 3.18Å; H63-N66 PolarHBondContact O-N 2.86Å; H63-Y68 HydrophobicContact CB-CD2 4.13Å; H63-Y68 HydrophobicContact CB-CE2 3.74Å
64	N	88.5	Confident	83	Confident	124 Å²	124	87.1 Å²	87.1	66%	0.663	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	50.6	-177.3	-63.6	-15.1	0	0	0	113.4	N66	N64-N66 PolarHBondContact O-N 2.85Å; N64-N66 PolarHBondContact O-ND2 2.85Å
65	D	85.9	Confident	80.9	Confident	140 Å²	140	92 Å²	92	75%	0.749	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	14.6	-178.1	-59.9	-43.3	0	0	0	115.8	H63	H63-D65 VanDerWaalsContact C-N 3.35Å; H63-D65 PolarHBondContact O-N 3.29Å
66	N	90.6	Very high	78.6	Confident	45 Å²	45	93.8 Å²	93.8	24%	0.241	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145	173.8	-62.1	-67.2	0	0	0	110.4	S24 T62 H63 N64 Y68	S24-N66 WeakPolarHBondContact CA-OD1 3.18Å; S24-N66 WeakPolarHBondContact CB-OD1 3.38Å; S24-N66 PolarHBondContact N-OD1 2.92Å; T62-N66 CarbonylContact C-O 3.59Å; T62-N66 WeakPolarHBondContact CA-O 3.31Å; H63-N66 PolarHBondContact N-O 2.89Å; H63-N66 WeakPolarHBondContact O-CB 3.18Å; H63-N66 PolarHBondContact O-N 2.86Å; N64-N66 PolarHBondContact O-N 2.85Å; N64-N66 PolarHBondContact O-ND2 2.85Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.61Å
67	Y	92.3	Very high	76.5	Confident	26 Å²	26	93 Å²	93	10%	0.102	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.8	174.6	-57.8	-86.1	0	0	0	108.9	F22 A23 K25 I28 L51 I55 I60 R61	F22-Y67 CarbonylContact C-O 3.5Å; F22-Y67 WeakPolarHBondContact CA-O 3.31Å; A23-Y67 PolarHBondContact N-O 3.37Å; A23-Y67 PolarHBondContact O-N 2.92Å; K25-Y67 HydrophobicContact CB-CE2 3.85Å; K25-Y67 HydrophobicContact CG-CE2 4.38Å; I28-Y67 HydrophobicContact CD1-CD2 3.48Å; I28-Y67 VanDerWaalsContact CD1-CD2 3.48Å; I28-Y67 HydrophobicContact CD1-CE2 4.29Å; I28-Y67 HydrophobicContact CD1-CG 4Å; L51-Y67 HydrophobicContact CB-CE1 4.08Å; L51-Y67 HydrophobicContact CD1-CD2 4.47Å; L51-Y67 HydrophobicContact CD1-CE1 4.19Å; L51-Y67 HydrophobicContact CD1-CE2 3.83Å; L51-Y67 HydrophobicContact CD2-CD1 3.83Å; L51-Y67 HydrophobicContact CD2-CD2 4.13Å; L51-Y67 HydrophobicContact CD2-CE1 3.96Å; L51-Y67 HydrophobicContact CD2-CE2 4.24Å; L51-Y67 HydrophobicContact CD2-CG 3.91Å; L51-Y67 HydrophobicContact CG-CE1 4.3Å; I55-Y67 HydrophobicContact CD1-CD1 4.41Å; I55-Y67 HydrophobicContact CD1-CE1 3.98Å; I60-Y67 HydrophobicContact CD1-CD1 3.79Å; I60-Y67 HydrophobicContact CD1-CG 4.36Å; R61-Y67 CarbonylContact O-C 3.5Å; R61-Y67 WeakPolarHBondContact O-CA 3.38Å
68	Y	92.5	Very high	74.7	Confident	57 Å²	57	91.3 Å²	91.3	22%	0.224	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.6	178.3	-59	-101.1	0	0	0	108.1	G21 F22 I60 R61 H63 N66 N70	G21-Y68 CarbonylContact O-C 3.58Å; G21-Y68 WeakPolarHBondContact O-CA 3.39Å; F22-Y68 HydrophobicContact CB-CD1 3.3Å; F22-Y68 HydrophobicContact CB-CE1 3.5Å; F22-Y68 HydrophobicContact CB-CG 3.97Å; F22-Y68 HydrophobicContact CD2-CE1 4.24Å; F22-Y68 HydrophobicContact CG-CD1 4.14Å; F22-Y68 AromaticContact CG-CE1 3.91Å; F22-Y68 HydrophobicContact CG-CE1 3.91Å; I60-Y68 CarbonylContact C-O 3.6Å; I60-Y68 WeakPolarHBondContact CA-O 3.37Å; I60-Y68 WeakPolarHBondContact CB-O 3.28Å; R61-Y68 PolarHBondContact N-O 3.06Å; R61-Y68 PolarHBondContact O-N 2.87Å; H63-Y68 HydrophobicContact CB-CD2 4.13Å; H63-Y68 HydrophobicContact CB-CE2 3.74Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.61Å; Y68-N70 PolarHBondContact O-N 3.21Å
69	L	90.6	Very high	72.8	Confident	23 Å²	23	93.7 Å²	93.7	12%	0.12	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.7	166.9	-82.8	164.9	0	0	0	108.4	I13 I16 D17 G21 V59 I60 M71	I13-L69 HydrophobicContact CG1-CD2 4.41Å; I13-L69 HydrophobicContact CG2-CD2 3.91Å; I16-L69 HydrophobicContact CB-CD1 4.1Å; I16-L69 HydrophobicContact CB-CG 4.13Å; I16-L69 HydrophobicContact CG2-CB 4.42Å; I16-L69 HydrophobicContact CG2-CD1 3.89Å; I16-L69 HydrophobicContact CG2-CG 3.68Å; D17-L69 HydrophobicContact CB-CD1 3.68Å; G21-L69 PolarHBondContact O-N 2.86Å; V59-L69 HydrophobicContact CG1-CD2 4.4Å; I60-L69 HydrophobicContact CG2-CD2 3.9Å; L69-M71 HydrophobicContact CB-CE 4.38Å; L69-M71 HydrophobicContact CB-CG 4.01Å; L69-M71 HydrophobicContact CD1-CE 3.98Å; L69-M71 PolarHBondContact O-N 2.92Å
70	N	85.9	Confident	70.7	Confident	77 Å²	77	99.5 Å²	99.5	41%	0.412	54%	0.537	S	S	.	.			trans	-78.4	70.7	165.6	-160	35.6	0	0	0	105.8	G58 V59 Y68 L72	G58-N70 WeakPolarHBondContact O-CB 3.36Å; G58-N70 PolarHBondContact O-ND2 3.14Å; V59-N70 VanDerWaalsContact O-CB 3.28Å; V59-N70 WeakPolarHBondContact O-CB 3.11Å; V59-N70 PolarHBondContact O-N 2.94Å; Y68-N70 PolarHBondContact O-N 3.21Å; N70-L72 PolarHBondContact O-N 2.84Å
71	M	66.8	Low	68.8	Low	113 Å²	113	103.9 Å²	103.9	56%	0.557	57%	0.567	S	S	*	*			trans	-63	95	166.6	-67.7	-176.7	-178.2	0	0	104.7	D17 L69 E73	D17-M71 WeakPolarHBondContact OD1-CE 3.45Å; L69-M71 HydrophobicContact CB-CE 4.38Å; L69-M71 HydrophobicContact CB-CG 4.01Å; L69-M71 HydrophobicContact CD1-CE 3.98Å; L69-M71 PolarHBondContact O-N 2.92Å; M71-E73 PolarHBondContact O-N 2.8Å; M71-E73 VanDerWaalsContact O-N 3.14Å
72	L	54.6	Low	66.9	Low	147 Å²	147	103.5 Å²	103.5	77%	0.77	58%	0.576	S	S	*	*			trans	-44.1	123.7	150.8	-129.4	115.8	0	0	0	103.5	N70 E74	N70-L72 PolarHBondContact O-N 2.84Å; L72-E74 PolarHBondContact O-N 2.62Å
73	E	48.5	Very low	65.4	Low	175 Å²	175	104.5 Å²	104.5	82%	0.818	59%	0.586	S	S	*	*			trans	-47.6	97.4	172.8	-67.5	179.3	123.4	0	0	106.4	M71 T75	M71-E73 PolarHBondContact O-N 2.8Å; M71-E73 VanDerWaalsContact O-N 3.14Å; E73-T75 PolarHBondContact O-N 2.89Å
74	E	48.6	Very low	63.7	Low	186 Å²	186	102.8 Å²	102.8	87%	0.869	60%	0.597	S	S	*	*			trans	-70.2	88.6	166.4	-149.9	-179.9	128.4	0	0	99.9	L72 A76	L72-E74 PolarHBondContact O-N 2.62Å; E74-A76 PolarHBondContact O-N 2.72Å
75	T	44.5	Very low	62.2	Low	108 Å²	108	102.1 Å²	102.1	66%	0.663	60%	0.602	S	S	*	*			trans	-34.3	113.7	-172.4	41.9	0	0	0	0	105.5	E73 S77	E73-T75 PolarHBondContact O-N 2.89Å; T75-S77 PolarHBondContact O-N 2.58Å
76	A	44	Very low	60.8	Low	95 Å²	95	102.7 Å²	102.7	79%	0.785	61%	0.605	S	S	*	*			trans	-54.7	80.8	165.3	0	0	0	0	0	106.1	E74 A78	E74-A76 PolarHBondContact O-N 2.72Å; A76-A78 PolarHBondContact O-N 2.83Å
77	S	46.5	Very low	59.3	Low	108 Å²	108	105.1 Å²	105.1	76%	0.755	63%	0.625	S	S	*	*			trans	-73.4	67.8	154.3	-69.6	0	0	0	0	103.6	T75 S79	T75-S77 PolarHBondContact O-N 2.58Å; S77-S79 PolarHBondContact O-N 3.01Å
78	A	49	Very low	57.7	Low	72 Å²	72	111.1 Å²	111.1	60%	0.595	66%	0.659	S	S	*	*			trans	-46	110.9	162.6	0	0	0	0	0	105.9	A76 H80	A76-A78 PolarHBondContact O-N 2.83Å; A78-H80 PolarHBondContact O-N 3Å
79	S	49.2	Very low	56.4	Low	89 Å²	89	113.9 Å²	113.9	62%	0.622	69%	0.687	S	S	*	*				42.7	80.4	129.9	55.6	0	0	0	0	114.7	S77 C81	S77-S79 PolarHBondContact O-N 3.01Å; S79-C81 VanDerWaalsContact CB-SG 3.57Å; S79-C81 PolarHBondContact O-N 3.34Å
80	H	46.8	Very low	54.8	Low	173 Å²	173	120 Å²	120	80%	0.801	72%	0.72	S	S	*	*			trans	-78	66.8	151.3	-132	-78.4	0	0	0	108.2	A78 N82	A78-H80 PolarHBondContact O-N 3Å; H80-N82 PolarHBondContact CE1-OD1 2.97Å; H80-N82 PolarHBondContact ND1-OD1 3Å; H80-N82 PolarHBondContact O-N 3.09Å; H80-N82 VanDerWaalsContact O-N 3.09Å
81	C	49.6	Very low	53.4	Low	96 Å²	96	122 Å²	122	65%	0.649	74%	0.74	S	S	*	*			trans	-76.4	79.4	162.8	-50.9	0	0	0	0	106.3	S79 S83	S79-C81 VanDerWaalsContact CB-SG 3.57Å; S79-C81 PolarHBondContact O-N 3.34Å; C81-S83 PolarHBondContact O-N 3.5Å
82	N	51.8	Low	53	Low	135 Å²	135	128.3 Å²	128.3	72%	0.722	78%	0.776	S	S	*	*			trans	-76.1	93	163.7	-99.9	57	0	0	0	107.3	H80	H80-N82 PolarHBondContact CE1-OD1 2.97Å; H80-N82 PolarHBondContact ND1-OD1 3Å; H80-N82 PolarHBondContact O-N 3.09Å; H80-N82 VanDerWaalsContact O-N 3.09Å
83	S	57.8	Low	53	Low	100 Å²	100	127.4 Å²	127.4	70%	0.699	78%	0.776	S	S	*	*			trans	-44.4	138.8	171.4	-51.9	0	0	0	0	111.8	C81 S85	C81-S83 PolarHBondContact O-N 3.5Å; S83-S85 PolarHBondContact O-N 2.99Å
84	G	53.3	Low	53.2	Low	70 Å²	70	124.9 Å²	124.9	72%	0.722	77%	0.774	S	S	*	*			trans	-55.2	134.8	171.4	0	0	0	0	0	111.6
85	S	57.1	Low	53.4	Low	109 Å²	109	121.5 Å²	121.5	76%	0.762	77%	0.769	S	S	*	*			trans	-105	76.5	161.2	-59.7	0	0	0	0	107.1	S83 S87	S83-S85 PolarHBondContact O-N 2.99Å; S85-S87 PolarHBondContact O-N 3.15Å; S85-S87 VanDerWaalsContact O-N 3.15Å
86	D	57.7	Low	54	Low	153 Å²	153	122.3 Å²	122.3	82%	0.818	78%	0.775	S	S	*	*			trans	-69.6	101.3	160.3	-67.3	-51.5	0	0	0	106.4
87	S	57.6	Low	54.6	Low	96 Å²	96	124 Å²	124	67%	0.671	77%	0.774	S	S	*	*			trans	-100.4	78.6	173.6	-57.4	0	0	0	0	108.3	S85 S89	S85-S87 PolarHBondContact O-N 3.15Å; S85-S87 VanDerWaalsContact O-N 3.15Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.16Å; S87-S89 VanDerWaalsContact O-N 3.16Å
88	D	59.2	Low	55.1	Low	151 Å²	151	125.1 Å²	125.1	81%	0.807	78%	0.775	S	S	*	*			trans	-75.9	89.5	162.7	-74.8	-36.7	0	0	0	108	D90	D88-D90 PolarHBondContact O-N 3.27Å
89	S	65.7	Low	55.6	Low	115 Å²	115	128.9 Å²	128.9	80%	0.804	79%	0.788	S	S	*	*			trans	-86.5	79.8	169.8	-65.9	0	0	0	0	109.5	S87	S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.16Å; S87-S89 VanDerWaalsContact O-N 3.16Å
90	D	57	Low	56.1	Low	153 Å²	153	131.9 Å²	131.9	82%	0.818	80%	0.801	S	S	*	*			trans	-82.4	113	155.1	-86.5	-49.3	0	0	0	107.8	D88	D88-D90 PolarHBondContact O-N 3.27Å
91	S	56.9	Low	56.8	Low	118 Å²	118	128.5 Å²	128.5	83%	0.825	80%	0.801	S	S	*	*			trans	-155.5	101.2	165.1	-73.3	0	0	0	0	110.5
92	D	58.4	Low	57.5	Low	246 Å²	246	131.5 Å²	131.5	100%	1.316	82%	0.815	S	S	*	*			trans	55.7	0	152.7	-132.4	-108.3	0	0	0	120.1

Retrieved 92 of 92 residues in 150.3 ms (Link to these results)

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