A0AA82N2W9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4F9E0), UniProt , Accession A0AA82N2W9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

						>A0AA82N2W9_SCHMA|A0AA82N2W9
MIPTKEINTHEAQSGCSHQLEICANNGSKLNDVMHSEKYNMKDDFNRTPNEDALETNLSFIDDIANELDKLALIPFYFCLDIDDEIYHSEYDYNLDN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	40.9	Very low	242 Å²	242	149.8 Å²	149.8	100%	1.192	77%	0.768	S	S	*	*				0	98.2	0	-167	165.5	155.7	0	0	106.1
2	I	35.8	Very low	41.2	Very low	155 Å²	155	141 Å²	141	80%	0.795	73%	0.734	S	S	*	*			trans	-72.5	126.8	178.7	-63.1	171.8	0	0	0	105.9	T4	I2-T4 PolarHBondContact O-N 3.05Å
3	P	35.2	Very low	41.3	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	72%	0.721	S	S	*	*			trans	-66.7	110.4	176.7	10.7	-3.6	0	0	0	107.7	K5	P3-K5 PolarHBondContact O-N 3.04Å
4	T	41.7	Very low	41.5	Very low	139 Å²	139	134.6 Å²	134.6	85%	0.853	71%	0.706	S	S	*	*			trans	-62.7	92.2	158.9	-9.1	0	0	0	0	105.3	I2 E6	I2-T4 PolarHBondContact O-N 3.05Å; T4-E6 PolarHBondContact O-N 2.87Å
5	K	44.6	Very low	42.1	Very low	183 Å²	183	127.7 Å²	127.7	80%	0.796	68%	0.679	S	S	*	*			trans	-57.5	112.6	160.8	-98.8	-179.6	171.2	-177.8	0	104.3	P3 I7	P3-K5 PolarHBondContact O-N 3.04Å; K5-I7 PolarHBondContact O-N 2.81Å
6	E	43	Very low	42.5	Very low	191 Å²	191	122.9 Å²	122.9	89%	0.893	66%	0.658	S	S	*	*			trans	-54.7	101	163.9	-79.6	179.9	159.5	0	0	105.9	T4 N8	T4-E6 PolarHBondContact O-N 2.87Å; E6-N8 PolarHBondContact O-N 2.83Å
7	I	44.6	Very low	43.1	Very low	131 Å²	131	119.9 Å²	119.9	67%	0.672	65%	0.649	S	S	*	*			trans	-66.1	111.2	170.9	-54.6	174.4	0	0	0	102.9	K5 T9 A12	K5-I7 PolarHBondContact O-N 2.81Å; I7-T9 PolarHBondContact O-N 3.06Å; I7-A12 HydrophobicContact CG2-CB 4.16Å
8	N	38.4	Very low	43.7	Very low	107 Å²	107	119.5 Å²	119.5	57%	0.572	64%	0.642	S	S	*	*			trans	-58.2	102.7	-179.9	-142.9	-12.6	0	0	0	106.4	E6 H10 E11 A12	E6-N8 PolarHBondContact O-N 2.83Å; N8-H10 PolarHBondContact O-N 2.93Å; N8-E11 PolarHBondContact O-N 3.36Å; N8-A12 PolarHBondContact O-N 3.03Å
9	T	44.3	Very low	44	Very low	99 Å²	99	116.7 Å²	116.7	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-55.8	-27.5	-168.9	22	0	0	0	0	111.7	I7 Q13	I7-T9 PolarHBondContact O-N 3.06Å; T9-Q13 WeakPolarHBondContact O-CB 3.23Å; T9-Q13 VanDerWaalsContact O-CG 3.23Å; T9-Q13 WeakPolarHBondContact O-CG 3.33Å; T9-Q13 PolarHBondContact O-N 2.98Å
10	H	40.2	Very low	44.5	Very low	147 Å²	147	115.8 Å²	115.8	68%	0.681	62%	0.619	S	S	*	*	H	α-helix	trans	-64.7	-41.8	175.1	-104.3	-57.3	0	0	0	114.6	N8 S14	N8-H10 PolarHBondContact O-N 2.93Å; H10-S14 PolarHBondContact O-N 2.95Å
11	E	45.4	Very low	45.1	Very low	144 Å²	144	115.5 Å²	115.5	67%	0.673	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-39.3	177.8	-77.4	-176.4	169	0	0	111	N8 S14 G15	N8-E11 PolarHBondContact O-N 3.36Å; E11-S14 PolarHBondContact O-N 3.42Å; E11-S14 PolarHBondContact O-OG 2.84Å; E11-G15 PolarHBondContact O-N 3.34Å
12	A	44	Very low	46	Very low	44 Å²	44	106.5 Å²	106.5	36%	0.364	57%	0.571	S	S	.	*	H	α-helix	trans	-61.6	-46.4	174.8	0	0	0	0	0	111	I7 N8 G15 C16	I7-A12 HydrophobicContact CG2-CB 4.16Å; N8-A12 PolarHBondContact O-N 3.03Å; A12-G15 PolarHBondContact O-N 3.32Å; A12-C16 PolarHBondContact O-N 2.79Å; A12-C16 PolarHBondContact O-SG 3.32Å
13	Q	42.5	Very low	46.7	Very low	121 Å²	121	101.9 Å²	101.9	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-41.4	178.4	-77.1	177.2	-14.9	0	0	113	T9 G15 C16 S17	T9-Q13 WeakPolarHBondContact O-CB 3.23Å; T9-Q13 VanDerWaalsContact O-CG 3.23Å; T9-Q13 WeakPolarHBondContact O-CG 3.33Å; T9-Q13 PolarHBondContact O-N 2.98Å; Q13-G15 VanDerWaalsContact C-N 3.33Å; Q13-C16 PolarHBondContact O-N 2.9Å; Q13-S17 PolarHBondContact O-N 2.84Å; Q13-S17 PolarHBondContact O-OG 2.91Å
14	S	44.2	Very low	47.7	Very low	72 Å²	72	99.8 Å²	99.8	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-35.6	177.1	81	0	0	0	0	112	H10 E11 S17 H18	H10-S14 PolarHBondContact O-N 2.95Å; E11-S14 PolarHBondContact O-N 3.42Å; E11-S14 PolarHBondContact O-OG 2.84Å; S14-S17 WeakPolarHBondContact CA-OG 3.46Å; S14-S17 PolarHBondContact O-OG 2.91Å; S14-H18 PolarHBondContact O-N 2.75Å
15	G	50.3	Low	48.6	Very low	30 Å²	30	97.3 Å²	97.3	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-48.3	171.8	0	0	0	0	0	111.4	E11 A12 Q13 H18 Q19	E11-G15 PolarHBondContact O-N 3.34Å; A12-G15 PolarHBondContact O-N 3.32Å; Q13-G15 VanDerWaalsContact C-N 3.33Å; G15-H18 PolarHBondContact O-N 2.97Å; G15-Q19 WeakPolarHBondContact O-CB 3.42Å; G15-Q19 WeakPolarHBondContact O-CG 3.49Å; G15-Q19 PolarHBondContact O-N 2.62Å
16	C	48	Very low	49.3	Very low	51 Å²	51	89.4 Å²	89.4	35%	0.345	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.2	-69.3	0	0	0	0	112.5	A12 Q13 H18 Q19 L20	A12-C16 PolarHBondContact O-N 2.79Å; A12-C16 PolarHBondContact O-SG 3.32Å; Q13-C16 PolarHBondContact O-N 2.9Å; C16-H18 PolarHBondContact O-N 3.48Å; C16-Q19 PolarHBondContact O-N 2.74Å; C16-L20 WeakPolarHBondContact O-CB 3.19Å; C16-L20 WeakPolarHBondContact O-CG 3.38Å; C16-L20 PolarHBondContact O-N 2.89Å
17	S	53.1	Low	50	Low	72 Å²	72	82.1 Å²	82.1	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-40.9	179.8	59.3	0	0	0	0	112.3	Q13 S14 Q19 L20 E21	Q13-S17 PolarHBondContact O-N 2.84Å; Q13-S17 PolarHBondContact O-OG 2.91Å; S14-S17 WeakPolarHBondContact CA-OG 3.46Å; S14-S17 PolarHBondContact O-OG 2.91Å; S17-Q19 VanDerWaalsContact C-N 3.33Å; S17-L20 PolarHBondContact O-N 2.63Å; S17-E21 PolarHBondContact O-N 2.96Å; S17-E21 VanDerWaalsContact O-N 3.08Å
18	H	53.4	Low	50.9	Low	113 Å²	113	79 Å²	79	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-69.5	-35	176.5	-163.2	56.8	0	0	0	111.4	S14 G15 C16 E21 I22	S14-H18 PolarHBondContact O-N 2.75Å; G15-H18 PolarHBondContact O-N 2.97Å; C16-H18 PolarHBondContact O-N 3.48Å; H18-E21 IonicContact ND1-OE2 3.74Å; H18-E21 PolarHBondContact O-N 3.22Å; H18-I22 WeakPolarHBondContact O-CD1 3.35Å; H18-I22 VanDerWaalsContact O-CG1 3.25Å; H18-I22 WeakPolarHBondContact O-CG1 3.45Å; H18-I22 PolarHBondContact O-N 3.44Å
19	Q	49.8	Very low	52.1	Low	66 Å²	66	79 Å²	79	31%	0.308	45%	0.452	S	S	.	.	H	α-helix	trans	-66.5	-43.7	173.9	-75.3	170.4	-10.1	0	0	112.5	G15 C16 S17 E21 I22 C23 F76	G15-Q19 WeakPolarHBondContact O-CB 3.42Å; G15-Q19 WeakPolarHBondContact O-CG 3.49Å; G15-Q19 PolarHBondContact O-N 2.62Å; C16-Q19 PolarHBondContact O-N 2.74Å; S17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-E21 VanDerWaalsContact C-N 3.3Å; Q19-E21 PolarHBondContact O-N 3.3Å; Q19-I22 WeakPolarHBondContact O-CB 3.46Å; Q19-I22 PolarHBondContact O-N 2.97Å; Q19-C23 WeakPolarHBondContact O-CB 3.32Å; Q19-C23 PolarHBondContact O-N 3.42Å; Q19-C23 PolarHBondContact O-SG 3.19Å; Q19-F76 HydrophobicContact CG-CD1 4.46Å; Q19-F76 HydrophobicContact CG-CE1 4.19Å
20	L	54.1	Low	52.8	Low	99 Å²	99	76.2 Å²	76.2	52%	0.518	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-40.4	175.4	-75.2	171.3	0	0	0	111.3	C16 S17 C23 A24	C16-L20 WeakPolarHBondContact O-CB 3.19Å; C16-L20 WeakPolarHBondContact O-CG 3.38Å; C16-L20 PolarHBondContact O-N 2.89Å; S17-L20 PolarHBondContact O-N 2.63Å; L20-C23 PolarHBondContact O-N 3.23Å; L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.08Å
21	E	56.5	Low	53.9	Low	110 Å²	110	72.7 Å²	72.7	51%	0.514	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-43.6	174.1	-175	179.1	-167.2	0	0	111.6	S17 H18 Q19 A24 N25	S17-E21 PolarHBondContact O-N 2.96Å; S17-E21 VanDerWaalsContact O-N 3.08Å; H18-E21 IonicContact ND1-OE2 3.74Å; H18-E21 PolarHBondContact O-N 3.22Å; Q19-E21 VanDerWaalsContact C-N 3.3Å; Q19-E21 PolarHBondContact O-N 3.3Å; E21-A24 PolarHBondContact O-N 2.73Å; E21-N25 VanDerWaalsContact O-CB 3.28Å; E21-N25 WeakPolarHBondContact O-CB 3.46Å; E21-N25 PolarHBondContact O-N 2.96Å; E21-N25 PolarHBondContact O-ND2 2.79Å; E21-N25 VanDerWaalsContact O-ND2 3.14Å
22	I	56	Low	54.9	Low	53 Å²	53	70.5 Å²	70.5	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.2	-68.1	163.9	0	0	0	110.5	H18 Q19 A24 N25 N26	H18-I22 WeakPolarHBondContact O-CD1 3.35Å; H18-I22 VanDerWaalsContact O-CG1 3.25Å; H18-I22 WeakPolarHBondContact O-CG1 3.45Å; H18-I22 PolarHBondContact O-N 3.44Å; Q19-I22 WeakPolarHBondContact O-CB 3.46Å; Q19-I22 PolarHBondContact O-N 2.97Å; I22-A24 PolarHBondContact O-N 2.98Å; I22-N25 PolarHBondContact O-N 2.73Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.5Å; I22-N26 PolarHBondContact O-N 2.78Å; I22-N26 PolarHBondContact O-OD1 3.48Å
23	C	51.3	Low	55.7	Low	58 Å²	58	69.8 Å²	69.8	39%	0.392	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-44	178.5	-71.6	0	0	0	0	112	Q19 L20 G27	Q19-C23 WeakPolarHBondContact O-CB 3.32Å; Q19-C23 PolarHBondContact O-N 3.42Å; Q19-C23 PolarHBondContact O-SG 3.19Å; L20-C23 PolarHBondContact O-N 3.23Å; C23-G27 WeakPolarHBondContact O-CA 3.5Å; C23-G27 PolarHBondContact O-N 3.35Å
24	A	55.2	Low	56.4	Low	65 Å²	65	67.8 Å²	67.8	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-46.4	178.3	0	0	0	0	0	111.6	L20 E21 I22 N26 G27 S28	L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.08Å; E21-A24 PolarHBondContact O-N 2.73Å; I22-A24 PolarHBondContact O-N 2.98Å; A24-N26 PolarHBondContact O-N 2.95Å; A24-G27 PolarHBondContact O-N 3.29Å; A24-S28 PolarHBondContact O-N 3.48Å
25	N	60.7	Low	57.1	Low	87 Å²	87	71 Å²	71	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-41.4	178.4	-72.5	-27.1	0	0	0	111.7	E21 I22 K29	E21-N25 VanDerWaalsContact O-CB 3.28Å; E21-N25 WeakPolarHBondContact O-CB 3.46Å; E21-N25 PolarHBondContact O-N 2.96Å; E21-N25 PolarHBondContact O-ND2 2.79Å; E21-N25 VanDerWaalsContact O-ND2 3.14Å; I22-N25 PolarHBondContact O-N 2.73Å; N25-K29 PolarHBondContact O-N 2.86Å
26	N	60.2	Low	57.8	Low	18 Å²	18	71.2 Å²	71.2	10%	0.096	40%	0.398	C	S	.	.	H	α-helix	trans	-70.9	-38.5	178	-71.1	-3.7	0	0	0	111.6	I22 A24 S28 K29 L30 L71	I22-N26 WeakPolarHBondContact CG2-ND2 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.5Å; I22-N26 PolarHBondContact O-N 2.78Å; I22-N26 PolarHBondContact O-OD1 3.48Å; A24-N26 PolarHBondContact O-N 2.95Å; N26-S28 VanDerWaalsContact C-N 3.35Å; N26-S28 PolarHBondContact O-N 2.97Å; N26-K29 PolarHBondContact O-N 2.83Å; N26-L30 PolarHBondContact O-N 3.43Å; N26-L71 HydrophobicContact CB-CB 4.5Å; N26-L71 HydrophobicContact CB-CD1 4.13Å; N26-L71 HydrophobicContact CB-CD2 3.91Å; N26-L71 HydrophobicContact CB-CG 4.39Å; N26-L71 VanDerWaalsContact CG-CD2 3.49Å; N26-L71 PolarHBondContact ND2-O 3.46Å; N26-L71 WeakPolarHBondContact OD1-CD2 3.25Å
27	G	56.8	Low	58.4	Low	38 Å²	38	77.6 Å²	77.6	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-60.3	-42.8	174.2	0	0	0	0	0	112	C23 A24 L30 N31	C23-G27 WeakPolarHBondContact O-CA 3.5Å; C23-G27 PolarHBondContact O-N 3.35Å; A24-G27 PolarHBondContact O-N 3.29Å; G27-L30 PolarHBondContact O-N 2.8Å; G27-N31 VanDerWaalsContact O-CB 3.22Å; G27-N31 WeakPolarHBondContact O-CB 3.48Å; G27-N31 PolarHBondContact O-N 3.01Å
28	S	64.4	Low	58.7	Low	66 Å²	66	82 Å²	82	46%	0.462	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-45	174.5	-170.4	0	0	0	0	112.1	A24 N26 N31 D32	A24-S28 PolarHBondContact O-N 3.48Å; N26-S28 VanDerWaalsContact C-N 3.35Å; N26-S28 PolarHBondContact O-N 2.97Å; S28-N31 WeakPolarHBondContact O-CB 3.39Å; S28-N31 PolarHBondContact O-N 3.46Å; S28-D32 VanDerWaalsContact O-CG 3.26Å; S28-D32 PolarHBondContact O-N 2.74Å
29	K	63.6	Low	58.7	Low	107 Å²	107	77.9 Å²	77.9	47%	0.465	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-42.5	178.2	-71.8	176.5	179.4	178.4	0	112.2	N25 N26 N31 D32 V33 L71	N25-K29 PolarHBondContact O-N 2.86Å; N26-K29 PolarHBondContact O-N 2.83Å; K29-N31 VanDerWaalsContact C-N 3.33Å; K29-D32 PolarHBondContact O-N 2.52Å; K29-V33 WeakPolarHBondContact O-CG2 3.08Å; K29-V33 PolarHBondContact O-N 3.17Å; K29-L71 HydrophobicContact CB-CD2 4.37Å; K29-L71 HydrophobicContact CD-CD2 3.73Å
30	L	60	Low	58.8	Low	40 Å²	40	79.2 Å²	79.2	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-65.1	-40.9	176.9	-171.8	68.4	0	0	0	111.1	N26 G27 D32 V33 M34 I64 L68	N26-L30 PolarHBondContact O-N 3.43Å; G27-L30 PolarHBondContact O-N 2.8Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 2.95Å; L30-V33 PolarHBondContact O-N 3.14Å; L30-M34 HydrophobicContact CD2-CE 4.47Å; L30-M34 HydrophobicContact CG-CE 4.17Å; L30-M34 HydrophobicContact CG-SD 4.46Å; L30-M34 WeakPolarHBondContact O-CG 3.48Å; L30-M34 PolarHBondContact O-N 3.39Å; L30-I64 HydrophobicContact CD1-CG2 4.26Å; L30-L68 HydrophobicContact CD1-CD2 4.18Å; L30-L68 HydrophobicContact CD2-CD2 4.25Å
31	N	62.3	Low	58.6	Low	72 Å²	72	77.9 Å²	77.9	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-41.4	174.1	-171.9	75.8	0	0	0	111.7	G27 S28 K29 V33 M34 H35	G27-N31 VanDerWaalsContact O-CB 3.22Å; G27-N31 WeakPolarHBondContact O-CB 3.48Å; G27-N31 PolarHBondContact O-N 3.01Å; S28-N31 WeakPolarHBondContact O-CB 3.39Å; S28-N31 PolarHBondContact O-N 3.46Å; K29-N31 VanDerWaalsContact C-N 3.33Å; N31-V33 PolarHBondContact O-N 3.09Å; N31-M34 PolarHBondContact O-N 3.27Å; N31-H35 WeakPolarHBondContact O-CB 3.09Å; N31-H35 PolarHBondContact O-CD2 2.83Å; N31-H35 VanDerWaalsContact O-CD2 3.28Å; N31-H35 PolarHBondContact O-N 2.99Å; N31-H35 PolarHBondContact OD1-CD2 3.23Å; N31-H35 PolarHBondContact OD1-NE2 3.42Å
32	D	65.7	Low	58.3	Low	99 Å²	99	81.4 Å²	81.4	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-37.2	175.5	-68	-20.8	0	0	0	112.3	S28 K29 L30 S36	S28-D32 VanDerWaalsContact O-CG 3.26Å; S28-D32 PolarHBondContact O-N 2.74Å; K29-D32 PolarHBondContact O-N 2.52Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 2.95Å; D32-S36 WeakPolarHBondContact O-CA 3.14Å; D32-S36 VanDerWaalsContact O-CB 3.25Å; D32-S36 WeakPolarHBondContact O-CB 3.21Å; D32-S36 PolarHBondContact O-N 3.46Å
33	V	61.9	Low	58	Low	29 Å²	29	84.9 Å²	84.9	18%	0.176	45%	0.447	C	S	.	.	H	α-helix	trans	-66	-50.5	173.5	175.5	0	0	0	0	110.3	K29 L30 N31 H35 S36 Y39 F60 I64 E67	K29-V33 WeakPolarHBondContact O-CG2 3.08Å; K29-V33 PolarHBondContact O-N 3.17Å; L30-V33 PolarHBondContact O-N 3.14Å; N31-V33 PolarHBondContact O-N 3.09Å; V33-H35 VanDerWaalsContact C-N 3.28Å; V33-H35 PolarHBondContact O-N 3.5Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.78Å; V33-Y39 HydrophobicContact CG1-CE2 4.22Å; V33-Y39 WeakPolarHBondContact O-CD2 3.22Å; V33-Y39 WeakPolarHBondContact O-CE2 3.43Å; V33-F60 HydrophobicContact CG1-CE2 4.5Å; V33-I64 HydrophobicContact CG1-CG1 4.23Å; V33-E67 HydrophobicContact CG2-CB 4.49Å; V33-E67 HydrophobicContact CG2-CG 4.13Å
34	M	56.5	Low	57.9	Low	79 Å²	79	84.6 Å²	84.6	39%	0.389	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-32	-178.4	-70.9	-171.5	-60.3	0	0	113.5	L30 N31 F60	L30-M34 HydrophobicContact CD2-CE 4.47Å; L30-M34 HydrophobicContact CG-CE 4.17Å; L30-M34 HydrophobicContact CG-SD 4.46Å; L30-M34 WeakPolarHBondContact O-CG 3.48Å; L30-M34 PolarHBondContact O-N 3.39Å; N31-M34 PolarHBondContact O-N 3.27Å; M34-F60 HydrophobicContact CB-CZ 4.45Å; M34-F60 HydrophobicContact CG-CZ 4.27Å
35	H	59.7	Low	57.7	Low	140 Å²	140	90 Å²	90	65%	0.648	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	10.6	179.9	-63.7	-57	0	0	0	113.9	N31 V33	N31-H35 WeakPolarHBondContact O-CB 3.09Å; N31-H35 PolarHBondContact O-CD2 2.83Å; N31-H35 VanDerWaalsContact O-CD2 3.28Å; N31-H35 PolarHBondContact O-N 2.99Å; N31-H35 PolarHBondContact OD1-CD2 3.23Å; N31-H35 PolarHBondContact OD1-NE2 3.42Å; V33-H35 VanDerWaalsContact C-N 3.28Å; V33-H35 PolarHBondContact O-N 3.5Å
36	S	63.7	Low	57.4	Low	33 Å²	33	93.6 Å²	93.6	23%	0.231	47%	0.473	C	S	.	.	S	Bend	trans	-61.5	146.7	177.1	69.2	0	0	0	0	110.5	D32 V33 K38 Y39	D32-S36 WeakPolarHBondContact O-CA 3.14Å; D32-S36 VanDerWaalsContact O-CB 3.25Å; D32-S36 WeakPolarHBondContact O-CB 3.21Å; D32-S36 PolarHBondContact O-N 3.46Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.78Å; S36-K38 PolarHBondContact O-N 3.34Å; S36-Y39 PolarHBondContact O-N 3.14Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.36Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.48Å
37	E	61.3	Low	56.7	Low	186 Å²	186	100.4 Å²	100.4	87%	0.869	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55.5	-21.6	178.2	-67.2	-173.8	162.6	0	0	112.7	Y39	E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 3.28Å
38	K	59	Low	56.6	Low	165 Å²	165	104.5 Å²	104.5	72%	0.717	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-62.3	-33.4	175.9	-69.3	-170.8	177.9	-176	0	113.5	S36	S36-K38 PolarHBondContact O-N 3.34Å
39	Y	53.6	Low	55.9	Low	25 Å²	25	107 Å²	107	10%	0.098	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-116.4	31.8	-177.9	-39.8	-74.1	0	0	0	111.5	V33 S36 E37 M41 F60 D63	V33-Y39 HydrophobicContact CG1-CE2 4.22Å; V33-Y39 WeakPolarHBondContact O-CD2 3.22Å; V33-Y39 WeakPolarHBondContact O-CE2 3.43Å; S36-Y39 PolarHBondContact O-N 3.14Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.36Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.48Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 3.28Å; Y39-M41 WeakPolarHBondContact O-CG 3.27Å; Y39-M41 PolarHBondContact O-N 3.31Å; Y39-F60 HydrophobicContact CD1-CB 3.48Å; Y39-F60 VanDerWaalsContact CD1-CB 3.48Å; Y39-F60 AromaticContact CD1-CD2 3.37Å; Y39-F60 HydrophobicContact CD1-CD2 3.37Å; Y39-F60 HydrophobicContact CD1-CE2 4.22Å; Y39-F60 AromaticContact CD1-CG 3.66Å; Y39-F60 HydrophobicContact CD1-CG 3.66Å; Y39-F60 AromaticContact CD2-CD2 3.27Å; Y39-F60 HydrophobicContact CD2-CD2 3.27Å; Y39-F60 AromaticContact CD2-CE2 3.38Å; Y39-F60 HydrophobicContact CD2-CE2 3.38Å; Y39-F60 HydrophobicContact CD2-CG 4.32Å; Y39-F60 VanDerWaalsContact CE1-CA 3.47Å; Y39-F60 HydrophobicContact CE1-CB 3.46Å; Y39-F60 VanDerWaalsContact CE1-CB 3.46Å; Y39-F60 AromaticContact CE1-CD2 3.48Å; Y39-F60 HydrophobicContact CE1-CD2 3.48Å; Y39-F60 VanDerWaalsContact CE1-CD2 3.48Å; Y39-F60 AromaticContact CE1-CG 3.89Å; Y39-F60 HydrophobicContact CE1-CG 3.89Å; Y39-F60 AromaticContact CE2-CD2 3.4Å; Y39-F60 HydrophobicContact CE2-CD2 3.4Å; Y39-F60 AromaticContact CE2-CE2 3.77Å; Y39-F60 HydrophobicContact CE2-CE2 3.77Å; Y39-F60 HydrophobicContact CG-CB 4.23Å; Y39-F60 AromaticContact CG-CD2 3.25Å; Y39-F60 HydrophobicContact CG-CD2 3.25Å; Y39-F60 AromaticContact CG-CE2 3.63Å; Y39-F60 HydrophobicContact CG-CE2 3.63Å; Y39-F60 AromaticContact CG-CG 3.88Å; Y39-F60 HydrophobicContact CG-CG 3.88Å; Y39-F60 AromaticContact CZ-CD2 3.49Å; Y39-F60 VanDerWaalsContact CZ-CD2 3.49Å; Y39-D63 VanDerWaalsContact OH-CB 3.24Å; Y39-D63 WeakPolarHBondContact OH-CB 3.39Å; Y39-D63 VanDerWaalsContact OH-CG 3.26Å; Y39-D63 PolarHBondContact OH-OD2 2.88Å
40	N	52.4	Low	55.4	Low	95 Å²	95	104.6 Å²	104.6	51%	0.508	52%	0.522	S	S	.	.			trans	-64.3	82.2	-179.1	-163.2	12.6	0	0	0	110.6	K42	N40-K42 PolarHBondContact O-N 3.27Å; N40-K42 VanDerWaalsContact O-N 3.07Å
41	M	49.2	Very low	55.3	Low	70 Å²	70	110.6 Å²	110.6	35%	0.345	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-70.9	-0.9	-174.3	-74.6	-176.1	166.9	0	0	113.3	Y39 D43 D44 F45 N57 F60	Y39-M41 WeakPolarHBondContact O-CG 3.27Å; Y39-M41 PolarHBondContact O-N 3.31Å; M41-D43 PolarHBondContact O-N 3.41Å; M41-D43 VanDerWaalsContact O-N 3.13Å; M41-D44 PolarHBondContact O-N 2.93Å; M41-F45 HydrophobicContact CB-CE2 4.34Å; M41-F45 WeakPolarHBondContact O-CD2 3.36Å; M41-N57 WeakPolarHBondContact CE-OD1 3.49Å; M41-F60 HydrophobicContact CE-CD1 4.43Å
42	K	50.7	Low	55.1	Low	184 Å²	184	112 Å²	112	80%	0.8	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-55.8	-31.9	-179.8	-86.4	-169.4	175	178.7	0	112.7	N40	N40-K42 PolarHBondContact O-N 3.27Å; N40-K42 VanDerWaalsContact O-N 3.07Å
43	D	50.3	Low	54.5	Low	126 Å²	126	108 Å²	108	67%	0.674	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-98.2	-12.2	-176.8	-65.5	-27.6	0	0	0	113.7	M41	M41-D43 PolarHBondContact O-N 3.41Å; M41-D43 VanDerWaalsContact O-N 3.13Å
44	D	49.8	Very low	54.3	Low	52 Å²	52	112 Å²	112	28%	0.278	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-87.9	-20.8	-169.2	-92.9	-15	0	0	0	114.8	M41 N46 R47	M41-D44 PolarHBondContact O-N 2.93Å; D44-N46 PolarHBondContact O-N 3.49Å; D44-N46 VanDerWaalsContact O-N 3.11Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 VanDerWaalsContact OD1-CD 3.31Å; D44-R47 WeakPolarHBondContact OD1-CD 3.39Å; D44-R47 IonicContact OD1-NH1 3.9Å
45	F	49.3	Very low	54.4	Low	180 Å²	180	114.9 Å²	114.9	79%	0.789	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-63.8	-20.6	178.8	-77.7	-79.7	0	0	0	113.9	M41	M41-F45 HydrophobicContact CB-CE2 4.34Å; M41-F45 WeakPolarHBondContact O-CD2 3.36Å
46	N	54.6	Low	54.3	Low	162 Å²	162	111.2 Å²	111.2	87%	0.866	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-98.6	-5.2	175.6	-70.8	-30.4	0	0	0	113.5	D44	D44-N46 PolarHBondContact O-N 3.49Å; D44-N46 VanDerWaalsContact O-N 3.11Å
47	R	47.2	Very low	54.2	Low	160 Å²	160	112.3 Å²	112.3	60%	0.604	56%	0.56	S	S	*	*	S	Bend	trans	-79.9	130.1	174.5	-94.4	177.5	166	-173.3	-2.3	108.9	D44	D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 VanDerWaalsContact OD1-CD 3.31Å; D44-R47 WeakPolarHBondContact OD1-CD 3.39Å; D44-R47 IonicContact OD1-NH1 3.9Å
48	T	54.1	Low	54.3	Low	124 Å²	124	108 Å²	108	76%	0.761	54%	0.543	S	S	*	.			trans	-47.9	127.2	160.8	-46.3	0	0	0	0	107.1	N50	T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.41Å
49	P	49.8	Very low	54.8	Low	120 Å²	120	102.5 Å²	102.5	78%	0.779	53%	0.525	S	S	*	.			trans	-56.6	101.8	179.3	20.3	-31	0	0	0	108.3
50	N	52.9	Low	55.4	Low	56 Å²	56	102.8 Å²	102.8	30%	0.299	53%	0.526	S	S	.	.			trans	-83.8	149.8	166.4	61.5	-17.7	0	0	0	107	T48 D52 A53 L54	T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.41Å; N50-D52 PolarHBondContact ND2-OD2 2.93Å; N50-D52 VanDerWaalsContact ND2-OD2 3.1Å; N50-D52 PolarHBondContact O-N 3.03Å; N50-D52 VanDerWaalsContact O-N 3.12Å; N50-A53 PolarHBondContact O-N 3.12Å; N50-A53 WeakPolarHBondContact OD1-CB 3.2Å; N50-A53 PolarHBondContact OD1-N 3.06Å; N50-A53 VanDerWaalsContact OD1-N 3.08Å; N50-L54 PolarHBondContact O-N 2.97Å
51	E	57.8	Low	56.2	Low	166 Å²	166	103 Å²	103	78%	0.776	53%	0.527	S	S	*	.	H	α-helix	trans	-53.2	-33	176.4	-73.9	176.4	155.7	0	0	111.3	A53 L54 E55	E51-A53 VanDerWaalsContact C-N 3.33Å; E51-A53 PolarHBondContact O-N 3.31Å; E51-L54 WeakPolarHBondContact O-CA 3.38Å; E51-L54 WeakPolarHBondContact O-CB 3.3Å; E51-L54 PolarHBondContact O-N 3.38Å; E51-E55 PolarHBondContact O-N 2.9Å
52	D	57.5	Low	57.4	Low	101 Å²	101	104.5 Å²	104.5	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-59.8	-38	175.7	-45.2	-40.4	0	0	0	113	N50 L54 E55 T56	N50-D52 PolarHBondContact ND2-OD2 2.93Å; N50-D52 VanDerWaalsContact ND2-OD2 3.1Å; N50-D52 PolarHBondContact O-N 3.03Å; N50-D52 VanDerWaalsContact O-N 3.12Å; D52-L54 VanDerWaalsContact C-N 3.33Å; D52-E55 PolarHBondContact O-N 3.03Å; D52-T56 WeakPolarHBondContact O-CB 3.41Å; D52-T56 PolarHBondContact O-N 3.26Å; D52-T56 PolarHBondContact O-OG1 3.28Å
53	A	53.4	Low	58.3	Low	15 Å²	15	98.8 Å²	98.8	12%	0.124	51%	0.514	C	S	.	.	H	α-helix	trans	-69.5	-34.2	175.7	0	0	0	0	0	111.3	N50 E51 T56 N57	N50-A53 PolarHBondContact O-N 3.12Å; N50-A53 WeakPolarHBondContact OD1-CB 3.2Å; N50-A53 PolarHBondContact OD1-N 3.06Å; N50-A53 VanDerWaalsContact OD1-N 3.08Å; E51-A53 VanDerWaalsContact C-N 3.33Å; E51-A53 PolarHBondContact O-N 3.31Å; A53-T56 PolarHBondContact O-N 2.91Å; A53-N57 WeakPolarHBondContact O-CB 3.44Å; A53-N57 PolarHBondContact O-N 3.47Å; A53-N57 PolarHBondContact O-ND2 3.26Å
54	L	56.6	Low	59	Low	114 Å²	114	94.5 Å²	94.5	60%	0.597	49%	0.491	S	S	*	.	H	α-helix	trans	-66.5	-44.7	174.9	-165.2	75.4	0	0	0	111.1	N50 E51 D52 T56 N57 L58	N50-L54 PolarHBondContact O-N 2.97Å; E51-L54 WeakPolarHBondContact O-CA 3.38Å; E51-L54 WeakPolarHBondContact O-CB 3.3Å; E51-L54 PolarHBondContact O-N 3.38Å; D52-L54 VanDerWaalsContact C-N 3.33Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.5Å; L54-N57 PolarHBondContact O-N 2.95Å; L54-L58 WeakPolarHBondContact O-CG 3.25Å; L54-L58 PolarHBondContact O-N 3.49Å
55	E	59.3	Low	60	Low	139 Å²	139	94.3 Å²	94.3	65%	0.65	50%	0.497	S	S	*	.	H	α-helix	trans	-61.3	-41.8	174.3	-73.8	-170.7	170.9	0	0	111.8	E51 D52 N57 L58 S59	E51-E55 PolarHBondContact O-N 2.9Å; D52-E55 PolarHBondContact O-N 3.03Å; E55-N57 VanDerWaalsContact C-N 3.32Å; E55-N57 PolarHBondContact O-N 3.34Å; E55-L58 PolarHBondContact O-N 3.19Å; E55-S59 PolarHBondContact O-N 2.96Å
56	T	58.8	Low	60.9	Low	62 Å²	62	89.9 Å²	89.9	38%	0.38	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-41.4	175.9	-51.8	0	0	0	0	110.9	D52 A53 L54 S59 F60	D52-T56 WeakPolarHBondContact O-CB 3.41Å; D52-T56 PolarHBondContact O-N 3.26Å; D52-T56 PolarHBondContact O-OG1 3.28Å; A53-T56 PolarHBondContact O-N 2.91Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.5Å; T56-S59 PolarHBondContact O-N 3.19Å; T56-S59 PolarHBondContact O-OG 3.44Å; T56-F60 PolarHBondContact O-N 3.33Å
57	N	60	Low	61.5	Low	57 Å²	57	83.9 Å²	83.9	31%	0.305	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-37	175.9	-74.2	-36.1	0	0	0	113.4	M41 A53 L54 E55 S59 F60 I61	M41-N57 WeakPolarHBondContact CE-OD1 3.49Å; A53-N57 WeakPolarHBondContact O-CB 3.44Å; A53-N57 PolarHBondContact O-N 3.47Å; A53-N57 PolarHBondContact O-ND2 3.26Å; L54-N57 PolarHBondContact O-N 2.95Å; E55-N57 VanDerWaalsContact C-N 3.32Å; E55-N57 PolarHBondContact O-N 3.34Å; N57-S59 VanDerWaalsContact C-N 3.35Å; N57-F60 WeakPolarHBondContact O-CB 3.38Å; N57-F60 PolarHBondContact O-N 2.83Å; N57-I61 WeakPolarHBondContact O-CG1 3.18Å; N57-I61 PolarHBondContact O-N 2.79Å
58	L	64.8	Low	62.3	Low	96 Å²	96	79.6 Å²	79.6	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-42.7	173.7	-73.1	172.8	0	0	0	110.7	L54 E55 F60 I61 D62	L54-L58 WeakPolarHBondContact O-CG 3.25Å; L54-L58 PolarHBondContact O-N 3.49Å; E55-L58 PolarHBondContact O-N 3.19Å; L58-F60 PolarHBondContact O-N 2.96Å; L58-I61 PolarHBondContact O-N 3.2Å; L58-I61 VanDerWaalsContact O-N 3.15Å; L58-D62 PolarHBondContact O-N 3.42Å
59	S	68.6	Low	62.9	Low	49 Å²	49	80.1 Å²	80.1	34%	0.343	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-35.1	174.6	77.6	0	0	0	0	112.4	E55 T56 N57 D62 D63	E55-S59 PolarHBondContact O-N 2.96Å; T56-S59 PolarHBondContact O-N 3.19Å; T56-S59 PolarHBondContact O-OG 3.44Å; N57-S59 VanDerWaalsContact C-N 3.35Å; S59-D62 PolarHBondContact O-N 3.4Å; S59-D63 WeakPolarHBondContact O-CB 3.41Å; S59-D63 VanDerWaalsContact O-CG 3.31Å; S59-D63 PolarHBondContact O-N 2.87Å
60	F	66.5	Low	63.7	Low	31 Å²	31	81.3 Å²	81.3	14%	0.136	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-44.6	173.8	179.9	-128.5	0	0	0	112.5	V33 M34 Y39 M41 T56 N57 L58 D62 D63 I64	V33-F60 HydrophobicContact CG1-CE2 4.5Å; M34-F60 HydrophobicContact CB-CZ 4.45Å; M34-F60 HydrophobicContact CG-CZ 4.27Å; Y39-F60 HydrophobicContact CD1-CB 3.48Å; Y39-F60 VanDerWaalsContact CD1-CB 3.48Å; Y39-F60 AromaticContact CD1-CD2 3.37Å; Y39-F60 HydrophobicContact CD1-CD2 3.37Å; Y39-F60 HydrophobicContact CD1-CE2 4.22Å; Y39-F60 AromaticContact CD1-CG 3.66Å; Y39-F60 HydrophobicContact CD1-CG 3.66Å; Y39-F60 AromaticContact CD2-CD2 3.27Å; Y39-F60 HydrophobicContact CD2-CD2 3.27Å; Y39-F60 AromaticContact CD2-CE2 3.38Å; Y39-F60 HydrophobicContact CD2-CE2 3.38Å; Y39-F60 HydrophobicContact CD2-CG 4.32Å; Y39-F60 VanDerWaalsContact CE1-CA 3.47Å; Y39-F60 HydrophobicContact CE1-CB 3.46Å; Y39-F60 VanDerWaalsContact CE1-CB 3.46Å; Y39-F60 AromaticContact CE1-CD2 3.48Å; Y39-F60 HydrophobicContact CE1-CD2 3.48Å; Y39-F60 VanDerWaalsContact CE1-CD2 3.48Å; Y39-F60 AromaticContact CE1-CG 3.89Å; Y39-F60 HydrophobicContact CE1-CG 3.89Å; Y39-F60 AromaticContact CE2-CD2 3.4Å; Y39-F60 HydrophobicContact CE2-CD2 3.4Å; Y39-F60 AromaticContact CE2-CE2 3.77Å; Y39-F60 HydrophobicContact CE2-CE2 3.77Å; Y39-F60 HydrophobicContact CG-CB 4.23Å; Y39-F60 AromaticContact CG-CD2 3.25Å; Y39-F60 HydrophobicContact CG-CD2 3.25Å; Y39-F60 AromaticContact CG-CE2 3.63Å; Y39-F60 HydrophobicContact CG-CE2 3.63Å; Y39-F60 AromaticContact CG-CG 3.88Å; Y39-F60 HydrophobicContact CG-CG 3.88Å; Y39-F60 AromaticContact CZ-CD2 3.49Å; Y39-F60 VanDerWaalsContact CZ-CD2 3.49Å; M41-F60 HydrophobicContact CE-CD1 4.43Å; T56-F60 PolarHBondContact O-N 3.33Å; N57-F60 WeakPolarHBondContact O-CB 3.38Å; N57-F60 PolarHBondContact O-N 2.83Å; L58-F60 PolarHBondContact O-N 2.96Å; F60-D62 VanDerWaalsContact C-N 3.33Å; F60-D63 PolarHBondContact O-N 3.44Å; F60-I64 HydrophobicContact CD1-CD1 3.86Å; F60-I64 HydrophobicContact CD2-CD1 3.95Å; F60-I64 HydrophobicContact CD2-CG1 4.22Å; F60-I64 HydrophobicContact CE1-CD1 3.44Å; F60-I64 VanDerWaalsContact CE1-CD1 3.44Å; F60-I64 HydrophobicContact CE2-CD1 3.59Å; F60-I64 HydrophobicContact CE2-CG1 3.97Å; F60-I64 HydrophobicContact CG-CD1 4.13Å; F60-I64 HydrophobicContact CZ-CD1 3.33Å; F60-I64 HydrophobicContact CZ-CG1 4.21Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 2.93Å
61	I	69.3	Low	63.9	Low	100 Å²	100	79.3 Å²	79.3	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-44.1	177.1	-67.9	165.9	0	0	0	110.1	N57 L58 I64 A65	N57-I61 WeakPolarHBondContact O-CG1 3.18Å; N57-I61 PolarHBondContact O-N 2.79Å; L58-I61 PolarHBondContact O-N 3.2Å; L58-I61 VanDerWaalsContact O-N 3.15Å; I61-I64 PolarHBondContact O-N 3.13Å; I61-A65 WeakPolarHBondContact O-CB 3.49Å; I61-A65 PolarHBondContact O-N 2.95Å
62	D	74.2	Confident	63.8	Low	100 Å²	100	74.6 Å²	74.6	54%	0.535	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-42	177.2	-73.6	-18.4	0	0	0	111.6	L58 S59 F60 A65 N66	L58-D62 PolarHBondContact O-N 3.42Å; S59-D62 PolarHBondContact O-N 3.4Å; F60-D62 VanDerWaalsContact C-N 3.33Å; D62-A65 PolarHBondContact O-N 3.04Å; D62-N66 VanDerWaalsContact O-CB 3.27Å; D62-N66 WeakPolarHBondContact O-CB 3.34Å; D62-N66 PolarHBondContact O-N 2.9Å; D62-N66 PolarHBondContact O-ND2 3.34Å
63	D	69	Low	63.4	Low	64 Å²	64	73 Å²	73	34%	0.342	40%	0.397	S	S	.	.	H	α-helix	trans	-66.7	-39.2	177.7	-76.2	-32.1	0	0	0	111.9	Y39 S59 F60 E67	Y39-D63 VanDerWaalsContact OH-CB 3.24Å; Y39-D63 WeakPolarHBondContact OH-CB 3.39Å; Y39-D63 VanDerWaalsContact OH-CG 3.26Å; Y39-D63 PolarHBondContact OH-OD2 2.88Å; S59-D63 WeakPolarHBondContact O-CB 3.41Å; S59-D63 VanDerWaalsContact O-CG 3.31Å; S59-D63 PolarHBondContact O-N 2.87Å; F60-D63 PolarHBondContact O-N 3.44Å; D63-E67 WeakPolarHBondContact O-CB 3.18Å; D63-E67 PolarHBondContact O-N 3.07Å
64	I	66.7	Low	63.1	Low	37 Å²	37	77.4 Å²	77.4	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-62.3	-49.6	171	-72.5	166.3	0	0	0	110.4	L30 V33 F60 I61 N66 E67 L68	L30-I64 HydrophobicContact CD1-CG2 4.26Å; V33-I64 HydrophobicContact CG1-CG1 4.23Å; F60-I64 HydrophobicContact CD1-CD1 3.86Å; F60-I64 HydrophobicContact CD2-CD1 3.95Å; F60-I64 HydrophobicContact CD2-CG1 4.22Å; F60-I64 HydrophobicContact CE1-CD1 3.44Å; F60-I64 VanDerWaalsContact CE1-CD1 3.44Å; F60-I64 HydrophobicContact CE2-CD1 3.59Å; F60-I64 HydrophobicContact CE2-CG1 3.97Å; F60-I64 HydrophobicContact CG-CD1 4.13Å; F60-I64 HydrophobicContact CZ-CD1 3.33Å; F60-I64 HydrophobicContact CZ-CG1 4.21Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 2.93Å; I61-I64 PolarHBondContact O-N 3.13Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.15Å; I64-E67 PolarHBondContact O-N 2.67Å; I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.13Å; I64-L68 WeakPolarHBondContact O-CB 3.06Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 2.88Å
65	A	69.4	Low	62.6	Low	48 Å²	48	77.5 Å²	77.5	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-61.4	-43.8	-177.9	0	0	0	0	0	111.6	I61 D62 E67 L68 D69	I61-A65 WeakPolarHBondContact O-CB 3.49Å; I61-A65 PolarHBondContact O-N 2.95Å; D62-A65 PolarHBondContact O-N 3.04Å; A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 3.43Å; A65-L68 PolarHBondContact O-N 3Å; A65-D69 WeakPolarHBondContact O-CB 3.38Å; A65-D69 PolarHBondContact O-N 2.85Å
66	N	69.1	Low	61.8	Low	86 Å²	86	73.5 Å²	73.5	46%	0.46	41%	0.406	S	S	.	.	H	α-helix	trans	-63.3	-40	175.6	-74.2	-37	0	0	0	111.9	D62 I64 D69 K70	D62-N66 VanDerWaalsContact O-CB 3.27Å; D62-N66 WeakPolarHBondContact O-CB 3.34Å; D62-N66 PolarHBondContact O-N 2.9Å; D62-N66 PolarHBondContact O-ND2 3.34Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.15Å; N66-D69 PolarHBondContact O-N 2.95Å; N66-K70 VanDerWaalsContact O-CG 3.3Å; N66-K70 WeakPolarHBondContact O-CG 3.24Å; N66-K70 PolarHBondContact O-N 3.34Å
67	E	66.8	Low	61	Low	37 Å²	37	80.9 Å²	80.9	17%	0.173	43%	0.428	C	S	.	.	H	α-helix	trans	-69.5	-41.5	176.9	-156.2	63.7	-161.9	0	0	110.9	V33 D63 I64 A65 D69 K70 L71	V33-E67 HydrophobicContact CG2-CB 4.49Å; V33-E67 HydrophobicContact CG2-CG 4.13Å; D63-E67 WeakPolarHBondContact O-CB 3.18Å; D63-E67 PolarHBondContact O-N 3.07Å; I64-E67 PolarHBondContact O-N 2.67Å; A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 3.43Å; E67-D69 VanDerWaalsContact C-N 3.28Å; E67-D69 PolarHBondContact O-N 3.11Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 IonicContact OE2-NZ 2.79Å; E67-K70 PolarHBondContact OE2-NZ 2.56Å; E67-L71 HydrophobicContact CG-CD1 4.12Å; E67-L71 HydrophobicContact CG-CG 4.34Å; E67-L71 WeakPolarHBondContact O-CB 3.27Å; E67-L71 WeakPolarHBondContact O-CD1 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.31Å; E67-L71 PolarHBondContact O-N 3.02Å
68	L	63.7	Low	60.1	Low	70 Å²	70	86.5 Å²	86.5	37%	0.366	45%	0.45	S	S	.	.	H	α-helix	trans	-57.5	-41.1	173.7	-69.9	174.1	0	0	0	112.1	L30 I64 A65 L73	L30-L68 HydrophobicContact CD1-CD2 4.18Å; L30-L68 HydrophobicContact CD2-CD2 4.25Å; I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.13Å; I64-L68 WeakPolarHBondContact O-CB 3.06Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 2.88Å; A65-L68 PolarHBondContact O-N 3Å; L68-L73 HydrophobicContact CB-CD1 4.43Å; L68-L73 HydrophobicContact CD2-CD1 3.33Å; L68-L73 HydrophobicContact CG-CD1 4.47Å
69	D	67.8	Low	58.9	Low	134 Å²	134	85 Å²	85	72%	0.717	45%	0.446	S	S	*	.	H	α-helix	trans	-67.2	-45.8	177.5	-162.5	43.3	0	0	0	111.6	A65 N66 E67 L71 A72	A65-D69 WeakPolarHBondContact O-CB 3.38Å; A65-D69 PolarHBondContact O-N 2.85Å; N66-D69 PolarHBondContact O-N 2.95Å; E67-D69 VanDerWaalsContact C-N 3.28Å; E67-D69 PolarHBondContact O-N 3.11Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.28Å; D69-A72 PolarHBondContact O-N 2.9Å; D69-A72 VanDerWaalsContact O-N 3.12Å
70	K	65.2	Low	57.7	Low	145 Å²	145	88.9 Å²	88.9	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-62.5	-37.2	175.2	-75.5	178.6	-151.9	153	0	113.4	N66 E67 A72	N66-K70 VanDerWaalsContact O-CG 3.3Å; N66-K70 WeakPolarHBondContact O-CG 3.24Å; N66-K70 PolarHBondContact O-N 3.34Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 IonicContact OE2-NZ 2.79Å; E67-K70 PolarHBondContact OE2-NZ 2.56Å; K70-A72 PolarHBondContact O-N 3.28Å
71	L	57.9	Low	56.6	Low	15 Å²	15	92 Å²	92	8%	0.079	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-2.6	-179.4	-69.7	168.6	0	0	0	111.4	N26 K29 E67 D69 L73	N26-L71 HydrophobicContact CB-CB 4.5Å; N26-L71 HydrophobicContact CB-CD1 4.13Å; N26-L71 HydrophobicContact CB-CD2 3.91Å; N26-L71 HydrophobicContact CB-CG 4.39Å; N26-L71 VanDerWaalsContact CG-CD2 3.49Å; N26-L71 PolarHBondContact ND2-O 3.46Å; N26-L71 WeakPolarHBondContact OD1-CD2 3.25Å; K29-L71 HydrophobicContact CB-CD2 4.37Å; K29-L71 HydrophobicContact CD-CD2 3.73Å; E67-L71 HydrophobicContact CG-CD1 4.12Å; E67-L71 HydrophobicContact CG-CG 4.34Å; E67-L71 WeakPolarHBondContact O-CB 3.27Å; E67-L71 WeakPolarHBondContact O-CD1 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.31Å; E67-L71 PolarHBondContact O-N 3.02Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.28Å; L71-L73 HydrophobicContact CB-CD1 3.86Å; L71-L73 HydrophobicContact CB-CG 3.81Å; L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 PolarHBondContact O-N 3.44Å
72	A	55.3	Low	55.3	Low	66 Å²	66	95.2 Å²	95.2	55%	0.545	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.8	45.6	-174	0	0	0	0	0	108.2	D69 K70 I74	D69-A72 PolarHBondContact O-N 2.9Å; D69-A72 VanDerWaalsContact O-N 3.12Å; K70-A72 PolarHBondContact O-N 3.28Å; A72-I74 PolarHBondContact O-N 3.24Å
73	L	49.9	Very low	54.1	Low	68 Å²	68	97.5 Å²	97.5	36%	0.356	51%	0.51	S	S	.	.			trans	-67.6	75.8	167.7	-74.2	161	0	0	0	104.3	L68 L71	L68-L73 HydrophobicContact CB-CD1 4.43Å; L68-L73 HydrophobicContact CD2-CD1 3.33Å; L68-L73 HydrophobicContact CG-CD1 4.47Å; L71-L73 HydrophobicContact CB-CD1 3.86Å; L71-L73 HydrophobicContact CB-CG 3.81Å; L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 PolarHBondContact O-N 3.44Å
74	I	47	Very low	53	Low	107 Å²	107	100.2 Å²	100.2	55%	0.549	52%	0.524	S	S	.	.			trans	-39.5	137.3	145.1	-60.7	168.5	0	0	0	103.5	A72 F76	A72-I74 PolarHBondContact O-N 3.24Å; I74-F76 HydrophobicContact CB-CD2 3.93Å; I74-F76 HydrophobicContact CB-CE2 3.65Å; I74-F76 HydrophobicContact CB-CG 4.49Å; I74-F76 HydrophobicContact CB-CZ 3.98Å; I74-F76 HydrophobicContact CD1-CE2 4.19Å; I74-F76 HydrophobicContact CD1-CZ 3.82Å; I74-F76 HydrophobicContact CG1-CE2 4.21Å; I74-F76 HydrophobicContact CG1-CZ 4.33Å; I74-F76 WeakPolarHBondContact O-CD2 3.38Å; I74-F76 PolarHBondContact O-N 2.92Å
75	P	45.5	Very low	51.8	Low	116 Å²	116	105.3 Å²	105.3	75%	0.753	55%	0.547	S	S	*	.			trans	-57	77.4	165.9	-19.5	31.7	0	0	0	107.5	Y77	P75-Y77 PolarHBondContact O-N 2.67Å
76	F	42.6	Very low	50.6	Low	56 Å²	56	109.2 Å²	109.2	25%	0.246	56%	0.56	C	S	.	*			trans	-66.5	103.8	164.4	-72.9	-73.8	0	0	0	98.7	Q19 I74 F78	Q19-F76 HydrophobicContact CG-CD1 4.46Å; Q19-F76 HydrophobicContact CG-CE1 4.19Å; I74-F76 HydrophobicContact CB-CD2 3.93Å; I74-F76 HydrophobicContact CB-CE2 3.65Å; I74-F76 HydrophobicContact CB-CG 4.49Å; I74-F76 HydrophobicContact CB-CZ 3.98Å; I74-F76 HydrophobicContact CD1-CE2 4.19Å; I74-F76 HydrophobicContact CD1-CZ 3.82Å; I74-F76 HydrophobicContact CG1-CE2 4.21Å; I74-F76 HydrophobicContact CG1-CZ 4.33Å; I74-F76 WeakPolarHBondContact O-CD2 3.38Å; I74-F76 PolarHBondContact O-N 2.92Å; F76-F78 PolarHBondContact O-N 2.98Å
77	Y	42	Very low	49.2	Very low	217 Å²	217	114.4 Å²	114.4	85%	0.851	57%	0.574	S	S	*	*			trans	-35.3	108.8	151	-74.6	-94.1	0	0	0	103.2	P75 C79	P75-Y77 PolarHBondContact O-N 2.67Å; Y77-C79 PolarHBondContact O-N 3.36Å
78	F	40.7	Very low	48.1	Very low	175 Å²	175	120 Å²	120	77%	0.768	60%	0.6	S	S	*	*			trans	-41.4	127.5	170.9	-75.8	-92.2	0	0	0	103.1	F76 L80	F76-F78 PolarHBondContact O-N 2.98Å; F78-L80 HydrophobicContact CB-CD2 4.29Å; F78-L80 HydrophobicContact CB-CG 4.08Å; F78-L80 PolarHBondContact O-N 2.94Å
79	C	39.5	Very low	47.1	Very low	63 Å²	63	120 Å²	120	43%	0.426	61%	0.607	S	S	.	*			trans	-61.6	71.8	153.2	-58.4	0	0	0	0	103.7	Y77 D81	Y77-C79 PolarHBondContact O-N 3.36Å; C79-D81 PolarHBondContact O-N 3.33Å
80	L	43.6	Very low	46	Very low	132 Å²	132	122.5 Å²	122.5	69%	0.691	61%	0.614	S	S	*	*			trans	-47	106.8	141.5	-63.1	175.7	0	0	0	99.4	F78 I82	F78-L80 HydrophobicContact CB-CD2 4.29Å; F78-L80 HydrophobicContact CB-CG 4.08Å; F78-L80 PolarHBondContact O-N 2.94Å; L80-I82 VanDerWaalsContact C-N 3.34Å; L80-I82 PolarHBondContact O-N 3.01Å
81	D	44.2	Very low	45	Very low	97 Å²	97	124 Å²	124	52%	0.519	62%	0.617	S	S	.	*			trans	-39.9	116.1	167.4	-72.3	-50.4	0	0	0	104	C79 D83 D84	C79-D81 PolarHBondContact O-N 3.33Å; D81-D83 PolarHBondContact O-N 2.76Å; D81-D84 HydrophobicContact CB-CB 3.94Å; D81-D84 PolarHBondContact O-N 3.45Å
82	I	42.2	Very low	44.5	Very low	166 Å²	166	129.4 Å²	129.4	85%	0.851	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-10.9	178.3	-79.5	171.2	0	0	0	109.3	L80	L80-I82 VanDerWaalsContact C-N 3.34Å; L80-I82 PolarHBondContact O-N 3.01Å
83	D	47.8	Very low	44.2	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-16	171.1	-63.3	-26.6	0	0	0	115.2	D81 E85	D81-D83 PolarHBondContact O-N 2.76Å; D83-E85 PolarHBondContact O-N 3.08Å
84	D	45.6	Very low	44.1	Very low	121 Å²	121	138.3 Å²	138.3	65%	0.647	67%	0.671	S	S	*	*	S	Bend	trans	-75.5	83.4	167.5	-95	1.1	0	0	0	107.2	D81 I86	D81-D84 HydrophobicContact CB-CB 3.94Å; D81-D84 PolarHBondContact O-N 3.45Å; D84-I86 PolarHBondContact O-N 3.35Å
85	E	42.8	Very low	44.3	Very low	144 Å²	144	140.7 Å²	140.7	67%	0.673	68%	0.684	S	S	*	*			trans	20.3	97.3	156.4	-66.3	-175.9	166.6	0	0	112.2	D83 Y87	D83-E85 PolarHBondContact O-N 3.08Å; E85-Y87 HydrophobicContact CB-CD2 4.24Å; E85-Y87 PolarHBondContact O-N 3.48Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.5Å
86	I	43	Very low	44.5	Very low	129 Å²	129	142.1 Å²	142.1	66%	0.662	69%	0.686	S	S	*	*			trans	-54	92	157.3	-58.2	173.1	0	0	0	105.2	D84 H88	D84-I86 PolarHBondContact O-N 3.35Å; I86-H88 WeakPolarHBondContact CG2-NE2 3.45Å; I86-H88 PolarHBondContact O-N 2.94Å
87	Y	39.9	Very low	44.4	Very low	195 Å²	195	150.8 Å²	150.8	77%	0.765	73%	0.734	S	S	*	*			trans	-68.1	84.9	169.4	-118.6	-94	0	0	0	103.3	E85 S89	E85-Y87 HydrophobicContact CB-CD2 4.24Å; E85-Y87 PolarHBondContact O-N 3.48Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.5Å; Y87-S89 PolarHBondContact O-N 3.49Å
88	H	43.9	Very low	44.5	Very low	154 Å²	154	147.5 Å²	147.5	71%	0.713	73%	0.729	S	S	*	*			trans	-62.4	80.4	157.7	-74.5	-72.5	0	0	0	105	I86 E90	I86-H88 WeakPolarHBondContact CG2-NE2 3.45Å; I86-H88 PolarHBondContact O-N 2.94Å; H88-E90 PolarHBondContact O-N 2.93Å
89	S	42.3	Very low	44.7	Very low	72 Å²	72	146 Å²	146	50%	0.503	73%	0.726	S	S	.	*			trans	-65.4	100	158.6	69.8	0	0	0	0	104	Y87 Y91	Y87-S89 PolarHBondContact O-N 3.49Å; S89-Y91 VanDerWaalsContact CB-CD2 3.47Å; S89-Y91 PolarHBondContact O-N 3.05Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.42Å
90	E	45.8	Very low	45	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	74%	0.743	S	S	*	*			trans	-61.7	60.5	156.6	-71.6	180	159.2	0	0	107.8	H88 D92	H88-E90 PolarHBondContact O-N 2.93Å; E90-D92 PolarHBondContact O-N 3.12Å
91	Y	43.7	Very low	45	Very low	177 Å²	177	151.7 Å²	151.7	69%	0.694	75%	0.746	S	S	*	*			trans	-75.2	84.7	154.9	-80.5	-68.8	0	0	0	104.6	S89 Y93	S89-Y91 VanDerWaalsContact CB-CD2 3.47Å; S89-Y91 PolarHBondContact O-N 3.05Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.42Å; Y91-Y93 WeakPolarHBondContact O-CD2 3.07Å; Y91-Y93 PolarHBondContact O-N 2.7Å
92	D	47	Very low	45.1	Very low	128 Å²	128	155.1 Å²	155.1	68%	0.684	76%	0.76	S	S	*	*			trans	-59.6	89.7	158.7	-150	1.5	0	0	0	104.9	E90 N94	E90-D92 PolarHBondContact O-N 3.12Å; D92-N94 PolarHBondContact O-N 2.96Å
93	Y	48.5	Very low	45.3	Very low	195 Å²	195	154.4 Å²	154.4	77%	0.765	75%	0.754	S	S	*	*			trans	-63.8	84.4	164.9	-74.2	-87.1	0	0	0	105.1	Y91 L95	Y91-Y93 WeakPolarHBondContact O-CD2 3.07Å; Y91-Y93 PolarHBondContact O-N 2.7Å; Y93-L95 PolarHBondContact O-N 3.37Å
94	N	48.8	Very low	45.1	Very low	126 Å²	126	154.8 Å²	154.8	67%	0.674	75%	0.751	S	S	*	*			trans	-56.2	91.8	161.2	-78.2	-49.8	0	0	0	105.3	D92 D96	D92-N94 PolarHBondContact O-N 2.96Å; N94-D96 PolarHBondContact O-N 3.1Å; N94-D96 VanDerWaalsContact O-N 3.09Å
95	L	50.1	Low	45.1	Very low	157 Å²	157	157.4 Å²	157.4	82%	0.822	76%	0.759	S	S	*	*			trans	-71.4	7.8	177.3	-106.9	148.6	0	0	0	111.9	Y93	Y93-L95 PolarHBondContact O-N 3.37Å
96	D	51.5	Low	45.3	Very low	147 Å²	147	158.5 Å²	158.5	79%	0.786	77%	0.767	S	S	*	*			trans	-117.7	71	178.7	-68.9	-21.1	0	0	0	110.4	N94	N94-D96 PolarHBondContact O-N 3.1Å; N94-D96 VanDerWaalsContact O-N 3.09Å
97	N	38.7	Very low	45.5	Very low	237 Å²	237	161.2 Å²	161.2	100%	1.267	78%	0.776	S	S	*	*			trans	-165.5	0	147.7	-115.9	-4.3	0	0	0	113.4

Retrieved 97 of 97 residues in 47.9 ms (Link to these results)

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