A0A3Q0KVA2_SCHMA Loading...

Cysteine-rich PDZ-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KVA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A3Q0KVA2_SCHMA|A0A3Q0KVA2
MVCEKCEKKLGKVITPDPWKAGARNTVSGGGRKLNENKLLTSSKNRFSPYSNAFPRCRICAQTVHQPGSYYCQQCAFKKGICSMCGVRLVNTTQYNQSAA
					

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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	87.3	Confident	88.4	Confident	45 Å²	45	87.8 Å²	87.8	22%	0.222	43%	0.433	C	S	.	.				0	114.9	0	-166.6	-176.7	-172.5	0	0	106.5	Q73 A76 C82 S83 L89 V90	M1-Q73 VanDerWaalsContact N-CD 3.33Å; M1-A76 HydrophobicContact CB-CB 4.2Å; M1-C82 CarbonylContact O-C 3.52Å; M1-C82 WeakPolarHBondContact O-CA 3.26Å; M1-S83 PolarHBondContact O-N 3.48Å; M1-S83 PolarHBondContact O-OG 3.19Å; M1-L89 HydrophobicContact CE-CB 3.43Å; M1-L89 VanDerWaalsContact CE-CB 3.43Å; M1-L89 HydrophobicContact CE-CD1 3.98Å; M1-L89 HydrophobicContact CE-CG 4.35Å; M1-L89 HydrophobicContact CG-CD1 3.69Å; M1-L89 HydrophobicContact SD-CB 4.4Å; M1-L89 HydrophobicContact SD-CD1 4.16Å; M1-V90 HydrophobicContact CE-CB 4.08Å; M1-V90 HydrophobicContact CE-CG2 3.56Å
2	V	92.4	Very high	86.9	Confident	31 Å²	31	92.3 Å²	92.3	19%	0.188	45%	0.449	C	S	.	.			trans	-126.4	139.5	-174.2	-175.9	0	0	0	0	107.8	C6 E7 L10 M84	V2-C6 HydrophobicContact CG1-CB 3.43Å; V2-C6 VanDerWaalsContact CG1-CB 3.43Å; V2-E7 HydrophobicContact CG1-CG 4.27Å; V2-L10 HydrophobicContact CG1-CD1 4.45Å; V2-M84 HydrophobicContact CG1-CG 4.4Å; V2-M84 HydrophobicContact CG1-SD 4Å
3	C	94.4	Very high	85.3	Confident	13 Å²	13	93.2 Å²	93.2	9%	0.088	46%	0.462	C	S	.	.			trans	-80.8	156.7	177.4	70.5	0	0	0	0	111.4	K5 C6 E7 C82 C85 L89	C3-K5 PolarHBondContact O-N 3.16Å; C3-K5 VanDerWaalsContact O-N 3.1Å; C3-C6 CarbonylContact O-C 3.48Å; C3-C6 WeakPolarHBondContact O-CA 3.25Å; C3-C6 PolarHBondContact O-N 3.35Å; C3-C6 PolarHBondContact SG-N 3.27Å; C3-C6 VanDerWaalsContact SG-SG 3.66Å; C3-E7 PolarHBondContact O-N 3.03Å; C3-C82 HydrophobicContact CB-CB 4.12Å; C3-C82 PolarHBondContact N-SG 2.83Å; C3-C85 VanDerWaalsContact SG-SG 3.62Å; C3-L89 HydrophobicContact CB-CD1 4.23Å; C3-L89 HydrophobicContact CB-CD2 3.56Å; C3-L89 HydrophobicContact CB-CG 4.28Å
4	E	92.4	Very high	83.5	Confident	149 Å²	149	93.9 Å²	93.9	70%	0.696	47%	0.467	S	S	*	.	H	α-helix	trans	-51.5	-38.6	179.6	-168.8	-171.8	170	0	0	113.1	C6 E7	E4-C6 VanDerWaalsContact C-N 3.29Å; E4-C6 PolarHBondContact O-N 3.24Å; E4-E7 PolarHBondContact O-N 3.03Å
5	K	92.5	Very high	81.9	Confident	176 Å²	176	94.5 Å²	94.5	77%	0.765	48%	0.478	S	S	*	.	H	α-helix	trans	-63.6	-34.7	175.6	-65.5	-176.1	179.9	178.9	0	112.6	C3	C3-K5 PolarHBondContact O-N 3.16Å; C3-K5 VanDerWaalsContact O-N 3.1Å
6	C	93.1	Very high	80.3	Confident	4 Å²	4	91.3 Å²	91.3	3%	0.027	47%	0.465	C	S	.	.	H	α-helix	trans	-89	-20.2	179.6	-76.9	0	0	0	0	113.2	V2 C3 E4 K8 K9 M84	V2-C6 HydrophobicContact CG1-CB 3.43Å; V2-C6 VanDerWaalsContact CG1-CB 3.43Å; C3-C6 CarbonylContact O-C 3.48Å; C3-C6 WeakPolarHBondContact O-CA 3.25Å; C3-C6 PolarHBondContact O-N 3.35Å; C3-C6 PolarHBondContact SG-N 3.27Å; C3-C6 VanDerWaalsContact SG-SG 3.66Å; E4-C6 VanDerWaalsContact C-N 3.29Å; E4-C6 PolarHBondContact O-N 3.24Å; C6-K8 PolarHBondContact O-N 3.49Å; C6-K9 WeakPolarHBondContact O-CA 3.38Å; C6-K9 VanDerWaalsContact O-CB 3.31Å; C6-K9 WeakPolarHBondContact O-CB 3.15Å; C6-K9 PolarHBondContact O-N 3.36Å; C6-M84 HydrophobicContact CB-CB 4.03Å; C6-M84 HydrophobicContact CB-CG 4.4Å; C6-M84 HydrophobicContact CB-SD 3.83Å
7	E	89.5	Confident	79.1	Confident	112 Å²	112	91.1 Å²	91.1	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-56.7	-35.1	173.4	-73.1	-177	168.4	0	0	111.8	V2 C3 E4 K9 L10	V2-E7 HydrophobicContact CG1-CG 4.27Å; C3-E7 PolarHBondContact O-N 3.03Å; E4-E7 PolarHBondContact O-N 3.03Å; E7-K9 PolarHBondContact O-N 3.11Å; E7-K9 VanDerWaalsContact O-N 3.14Å; E7-L10 HydrophobicContact CG-CD1 4.49Å; E7-L10 WeakPolarHBondContact O-CB 3.48Å; E7-L10 PolarHBondContact O-N 3.06Å; E7-L10 VanDerWaalsContact O-N 3.07Å
8	K	86.3	Confident	78.1	Confident	181 Å²	181	93.6 Å²	93.6	79%	0.787	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.2	174	-61.3	-179.3	-176.6	179.1	0	113.7	C6	C6-K8 PolarHBondContact O-N 3.49Å
9	K	85.8	Confident	77.4	Confident	144 Å²	144	99.4 Å²	99.4	63%	0.626	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.9	179.6	-55.9	-179.7	-178.1	-179.3	0	112.7	C6 E7 M84	C6-K9 WeakPolarHBondContact O-CA 3.38Å; C6-K9 VanDerWaalsContact O-CB 3.31Å; C6-K9 WeakPolarHBondContact O-CB 3.15Å; C6-K9 PolarHBondContact O-N 3.36Å; E7-K9 PolarHBondContact O-N 3.11Å; E7-K9 VanDerWaalsContact O-N 3.14Å; K9-M84 HydrophobicContact CB-CE 3.95Å; K9-M84 HydrophobicContact CB-SD 4.48Å; K9-M84 HydrophobicContact CD-CE 4.45Å
10	L	83	Confident	76.5	Confident	59 Å²	59	100.9 Å²	100.9	31%	0.309	51%	0.507	S	S	.	.	S	Bend	trans	-69.5	141.4	179.2	-63.6	178.4	0	0	0	110.7	V2 E7 K12 M84	V2-L10 HydrophobicContact CG1-CD1 4.45Å; E7-L10 HydrophobicContact CG-CD1 4.49Å; E7-L10 WeakPolarHBondContact O-CB 3.48Å; E7-L10 PolarHBondContact O-N 3.06Å; E7-L10 VanDerWaalsContact O-N 3.07Å; L10-K12 PolarHBondContact O-N 3.38Å; L10-M84 HydrophobicContact CD2-SD 3.99Å
11	G	75.6	Confident	75.4	Confident	52 Å²	52	101.2 Å²	101.2	54%	0.536	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-64.2	132.3	166.4	0	0	0	0	0	110
12	K	70.4	Confident	73.7	Confident	142 Å²	142	101.5 Å²	101.5	62%	0.617	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-89.7	136.7	173.6	-63.3	-175.9	178.6	-173.1	0	109.7	L10 I14	L10-K12 PolarHBondContact O-N 3.38Å; K12-I14 PolarHBondContact O-N 3.45Å
13	V	66.8	Low	71.7	Confident	103 Å²	103	102.7 Å²	102.7	62%	0.624	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.5	173.7	179.3	0	0	0	0	108.8
14	I	59.5	Low	69.5	Low	104 Å²	104	112 Å²	112	53%	0.533	59%	0.586	S	S	.	*	S	Bend	trans	-81.9	-21.5	-172	-167.3	58.2	0	0	0	113.5	K12 P16 R32	K12-I14 PolarHBondContact O-N 3.45Å; I14-P16 WeakPolarHBondContact O-CD 3.21Å; I14-R32 HydrophobicContact CD1-CB 4.34Å; I14-R32 HydrophobicContact CD1-CG 4.4Å
15	T	60.2	Low	67.6	Low	102 Å²	102	110.1 Å²	110.1	63%	0.626	58%	0.581	S	S	*	*	S	Bend	trans	-94.4	97.9	177.7	47.6	0	0	0	0	108.8
16	P	55.3	Low	65.5	Low	43 Å²	43	104.1 Å²	104.1	28%	0.279	56%	0.559	S	S	.	*			trans	-65.3	145.2	169.2	22.8	-27.1	0	0	0	109.8	I14 A23	I14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-A23 HydrophobicContact CB-CB 3.77Å; P16-A23 VanDerWaalsContact CG-CA 3.48Å; P16-A23 HydrophobicContact CG-CB 3.14Å
17	D	60.1	Low	63.6	Low	88 Å²	88	108.1 Å²	108.1	47%	0.471	58%	0.583	S	S	.	*			trans	-55.6	134.7	179.6	-57.3	-53.7	0	0	0	110.8	W19 K20	D17-W19 VanDerWaalsContact CB-CD1 3.46Å; D17-W19 PolarHBondContact O-N 2.91Å; D17-K20 PolarHBondContact O-N 2.92Å
18	P	61	Low	61.9	Low	136 Å²	136	109 Å²	109	88%	0.883	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-28.4	-174.4	-26.8	33.2	0	0	0	114.7
19	W	65.7	Low	60.3	Low	205 Å²	205	104.5 Å²	104.5	78%	0.777	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-8	-176.3	66.8	-70.6	0	0	0	114.2	D17 A21	D17-W19 VanDerWaalsContact CB-CD1 3.46Å; D17-W19 PolarHBondContact O-N 2.91Å; W19-A21 PolarHBondContact O-N 3.28Å
20	K	59.5	Low	58.7	Low	128 Å²	128	99.4 Å²	99.4	56%	0.557	60%	0.595	S	S	*	*	S	Bend	trans	-88.2	95.8	168.1	-72.8	-164.5	-176.1	-168.3	0	109.1	D17 G22 A23	D17-K20 PolarHBondContact O-N 2.92Å; K20-G22 PolarHBondContact O-N 2.76Å; K20-A23 PolarHBondContact O-N 3.31Å
21	A	52.5	Low	57.6	Low	108 Å²	108	99.2 Å²	99.2	89%	0.893	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.1	111.4	170.3	0	0	0	0	0	109.9	W19	W19-A21 PolarHBondContact O-N 3.28Å
22	G	52.9	Low	56.9	Low	51 Å²	51	103.1 Å²	103.1	53%	0.526	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	75.3	45.9	176.3	0	0	0	0	0	115	K20 R24	K20-G22 PolarHBondContact O-N 2.76Å; G22-R24 WeakPolarHBondContact O-CB 3.39Å; G22-R24 VanDerWaalsContact O-CG 3.23Å; G22-R24 WeakPolarHBondContact O-CG 3.25Å; G22-R24 PolarHBondContact O-N 3.38Å
23	A	49.1	Very low	56.8	Low	57 Å²	57	103.1 Å²	103.1	47%	0.471	61%	0.605	S	S	.	*				29.7	28.6	116.5	0	0	0	0	0	119.9	P16 K20 N25	P16-A23 HydrophobicContact CB-CB 3.77Å; P16-A23 VanDerWaalsContact CG-CA 3.48Å; P16-A23 HydrophobicContact CG-CB 3.14Å; K20-A23 PolarHBondContact O-N 3.31Å; A23-N25 VanDerWaalsContact C-N 3.32Å; A23-N25 PolarHBondContact O-N 2.85Å
24	R	48.8	Very low	57.1	Low	208 Å²	208	104.7 Å²	104.7	79%	0.785	61%	0.61	S	S	*	*			trans	-96.4	46.9	-174.7	-72.8	175	-164.5	158.6	3.8	110.5	G22 T26	G22-R24 WeakPolarHBondContact O-CB 3.39Å; G22-R24 VanDerWaalsContact O-CG 3.23Å; G22-R24 WeakPolarHBondContact O-CG 3.25Å; G22-R24 PolarHBondContact O-N 3.38Å; R24-T26 PolarHBondContact O-N 3.37Å
25	N	52.9	Low	58	Low	110 Å²	110	108.2 Å²	108.2	59%	0.588	63%	0.63	S	S	*	*			trans	-69	35.1	156	-78.3	-10.4	0	0	0	110.9	A23	A23-N25 VanDerWaalsContact C-N 3.32Å; A23-N25 PolarHBondContact O-N 2.85Å
26	T	47.8	Very low	58.8	Low	49 Å²	49	105.7 Å²	105.7	30%	0.301	61%	0.611	S	S	.	*			trans	-84	115.8	169.2	56.4	0	0	0	0	104.9	R24 S28 G30	R24-T26 PolarHBondContact O-N 3.37Å; T26-S28 PolarHBondContact O-N 3.2Å; T26-S28 VanDerWaalsContact O-N 3.11Å; T26-G30 WeakPolarHBondContact CB-O 3.4Å
27	V	52.8	Low	60	Low	89 Å²	89	108 Å²	108	54%	0.539	62%	0.621	S	S	.	*	S	Bend	trans	-44.3	124.8	156.1	-79.7	0	0	0	0	107.2	G29 G30	V27-G29 PolarHBondContact O-N 2.9Å; V27-G30 PolarHBondContact O-N 2.8Å
28	S	53.7	Low	60.7	Low	131 Å²	131	106.7 Å²	106.7	92%	0.916	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-14.2	100	179.3	-31.9	0	0	0	0	112.7	T26	T26-S28 PolarHBondContact O-N 3.2Å; T26-S28 VanDerWaalsContact O-N 3.11Å
29	G	53	Low	61.2	Low	86 Å²	86	105.7 Å²	105.7	89%	0.887	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.5	-6.3	172.2	0	0	0	0	0	118.5	V27	V27-G29 PolarHBondContact O-N 2.9Å
30	G	52.6	Low	61.8	Low	36 Å²	36	102 Å²	102	37%	0.371	59%	0.592	S	S	.	*			trans	-123.6	97.8	-176.6	0	0	0	0	0	113.3	T26 V27	T26-G30 WeakPolarHBondContact CB-O 3.4Å; V27-G30 PolarHBondContact O-N 2.8Å
31	G	60.5	Low	62.5	Low	55 Å²	55	98.9 Å²	98.9	57%	0.567	58%	0.584	S	S	*	*			trans	-48.6	170	170.3	0	0	0	0	0	114.8	K33	G31-K33 PolarHBondContact O-N 3.3Å; G31-K33 VanDerWaalsContact O-N 3.07Å
32	R	60.7	Low	63.2	Low	135 Å²	135	96.3 Å²	96.3	51%	0.509	56%	0.56	S	S	.	*			trans	-53.9	120.2	157.7	176.4	-179.7	174.5	126.5	-4.9	106.6	I14 L34	I14-R32 HydrophobicContact CD1-CB 4.34Å; I14-R32 HydrophobicContact CD1-CG 4.4Å; R32-L34 PolarHBondContact O-N 3.25Å
33	K	68.3	Low	63.8	Low	141 Å²	141	98.1 Å²	98.1	61%	0.613	56%	0.564	S	S	*	*			trans	-57.8	115.9	174.7	-177.8	162.9	169	-171	0	108.3	G31 E36 K38	G31-K33 PolarHBondContact O-N 3.3Å; G31-K33 VanDerWaalsContact O-N 3.07Å; K33-E36 HydrophobicContact CB-CG 4.26Å; K33-E36 WeakPolarHBondContact CB-OE2 3.46Å; K33-E36 HydrophobicContact CD-CB 4.46Å; K33-E36 WeakPolarHBondContact CD-OE2 3.31Å; K33-E36 HydrophobicContact CG-CB 4.17Å; K33-E36 HydrophobicContact CG-CG 4.13Å; K33-E36 VanDerWaalsContact CG-OE2 3.3Å; K33-E36 WeakPolarHBondContact CG-OE2 3.49Å; K33-K38 PolarHBondContact O-NZ 3Å
34	L	72.2	Confident	64.6	Low	137 Å²	137	105 Å²	105	72%	0.717	58%	0.584	S	S	*	*	S	Bend	trans	-81	156	175.2	-60.6	179.3	0	0	0	108.5	R32 E36	R32-L34 PolarHBondContact O-N 3.25Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 2.86Å
35	N	78.8	Confident	65.4	Low	177 Å²	177	100.8 Å²	100.8	95%	0.947	58%	0.577	S	S	*	*	S	Bend	trans	56.1	35.5	178.4	-59.4	-21.3	0	0	0	115
36	E	77.8	Confident	66	Low	49 Å²	49	100.2 Å²	100.2	23%	0.229	57%	0.566	C	S	.	*			trans	-112.3	148.7	168.8	66.7	173.8	-160.4	0	0	111.5	K33 L34 K38 T41	K33-E36 HydrophobicContact CB-CG 4.26Å; K33-E36 WeakPolarHBondContact CB-OE2 3.46Å; K33-E36 HydrophobicContact CD-CB 4.46Å; K33-E36 WeakPolarHBondContact CD-OE2 3.31Å; K33-E36 HydrophobicContact CG-CB 4.17Å; K33-E36 HydrophobicContact CG-CG 4.13Å; K33-E36 VanDerWaalsContact CG-OE2 3.3Å; K33-E36 WeakPolarHBondContact CG-OE2 3.49Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 2.86Å; E36-K38 HydrophobicContact CG-CD 4.05Å; E36-K38 PolarHBondContact O-N 3.24Å; E36-K38 VanDerWaalsContact O-N 3.1Å; E36-K38 WeakPolarHBondContact OE1-CE 3.42Å; E36-K38 IonicContact OE1-NZ 2.67Å; E36-K38 PolarHBondContact OE1-NZ 3.45Å; E36-T41 HydrophobicContact CB-CG2 4.04Å; E36-T41 HydrophobicContact CG-CG2 4.18Å; E36-T41 PolarHBondContact OE1-OG1 3.22Å; E36-T41 WeakPolarHBondContact OE2-CG2 3.17Å
37	N	78.8	Confident	66.9	Low	91 Å²	91	105 Å²	105	49%	0.487	58%	0.583	S	S	.	*			trans	-72.5	104.7	171.7	-172	-21.7	0	0	0	109.9	L39 L40 T41	N37-L39 PolarHBondContact O-N 3.03Å; N37-L39 WeakPolarHBondContact OD1-CA 3.41Å; N37-L39 WeakPolarHBondContact OD1-CB 3.25Å; N37-L39 PolarHBondContact OD1-N 3.5Å; N37-L40 HydrophobicContact CB-CB 4.37Å; N37-L40 HydrophobicContact CB-CD1 4.16Å; N37-L40 HydrophobicContact CB-CG 4.19Å; N37-L40 PolarHBondContact O-N 3.06Å; N37-T41 PolarHBondContact O-N 3.04Å; N37-T41 PolarHBondContact O-OG1 3.29Å
38	K	75	Confident	67.8	Low	61 Å²	61	102.1 Å²	102.1	27%	0.265	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-23.1	179.6	-59.4	-64.2	169.5	-177.2	0	113	K33 E36 L40 S42 R46	K33-K38 PolarHBondContact O-NZ 3Å; E36-K38 HydrophobicContact CG-CD 4.05Å; E36-K38 PolarHBondContact O-N 3.24Å; E36-K38 VanDerWaalsContact O-N 3.1Å; E36-K38 WeakPolarHBondContact OE1-CE 3.42Å; E36-K38 IonicContact OE1-NZ 2.67Å; E36-K38 PolarHBondContact OE1-NZ 3.45Å; K38-L40 VanDerWaalsContact C-N 3.26Å; K38-L40 PolarHBondContact O-N 2.88Å; K38-S42 VanDerWaalsContact O-CB 3.26Å; K38-S42 WeakPolarHBondContact O-CB 3.41Å; K38-S42 PolarHBondContact O-N 2.91Å; K38-S42 PolarHBondContact O-OG 3.32Å; K38-R46 PolarHBondContact O-NH2 2.62Å; K38-R46 VanDerWaalsContact O-NH2 3.14Å
39	L	72.9	Confident	68.5	Low	115 Å²	115	100.5 Å²	100.5	60%	0.602	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-24.8	172.1	-170.4	63.3	0	0	0	112.2	N37 R46	N37-L39 PolarHBondContact O-N 3.03Å; N37-L39 WeakPolarHBondContact OD1-CA 3.41Å; N37-L39 WeakPolarHBondContact OD1-CB 3.25Å; N37-L39 PolarHBondContact OD1-N 3.5Å; L39-R46 VanDerWaalsContact CA-NH2 3.31Å; L39-R46 PolarHBondContact O-NH1 2.76Å; L39-R46 PolarHBondContact O-NH2 2.96Å
40	L	77.1	Confident	69.5	Low	127 Å²	127	107 Å²	107	67%	0.665	55%	0.552	S	S	*	*	H	α-helix	trans	-97.6	-36.8	177.4	-59	179	0	0	0	111.9	N37 K38	N37-L40 HydrophobicContact CB-CB 4.37Å; N37-L40 HydrophobicContact CB-CD1 4.16Å; N37-L40 HydrophobicContact CB-CG 4.19Å; N37-L40 PolarHBondContact O-N 3.06Å; K38-L40 VanDerWaalsContact C-N 3.26Å; K38-L40 PolarHBondContact O-N 2.88Å
41	T	74.3	Confident	70.1	Confident	64 Å²	64	109.2 Å²	109.2	39%	0.393	56%	0.563	S	S	.	*	H	α-helix	trans	-85.3	-22.8	-171.9	61.6	0	0	0	0	114.8	E36 N37 S43	E36-T41 HydrophobicContact CB-CG2 4.04Å; E36-T41 HydrophobicContact CG-CG2 4.18Å; E36-T41 PolarHBondContact OE1-OG1 3.22Å; E36-T41 WeakPolarHBondContact OE2-CG2 3.17Å; N37-T41 PolarHBondContact O-N 3.04Å; N37-T41 PolarHBondContact O-OG1 3.29Å; T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 VanDerWaalsContact O-N 3.11Å
42	S	68.3	Low	70.1	Confident	54 Å²	54	110.8 Å²	110.8	38%	0.378	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	12	-177.3	-49.8	0	0	0	0	114.7	K38 K44 N45 R46	K38-S42 VanDerWaalsContact O-CB 3.26Å; K38-S42 WeakPolarHBondContact O-CB 3.41Å; K38-S42 PolarHBondContact O-N 2.91Å; K38-S42 PolarHBondContact O-OG 3.32Å; S42-K44 VanDerWaalsContact C-N 3.3Å; S42-K44 PolarHBondContact O-N 2.88Å; S42-K44 VanDerWaalsContact O-N 3.13Å; S42-N45 PolarHBondContact O-N 3.5Å; S42-R46 PolarHBondContact O-N 3.25Å
43	S	64.8	Low	70.5	Confident	89 Å²	89	108.8 Å²	108.8	62%	0.622	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-51.3	-40.5	-169.2	171	0	0	0	0	114.4	T41 N45	T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 VanDerWaalsContact O-N 3.11Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 3.43Å
44	K	65.9	Low	70.9	Confident	202 Å²	202	105.7 Å²	105.7	88%	0.878	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-66.9	-27.2	-172.2	-67.7	-175.1	-179.8	-177.5	0	115	S42	S42-K44 VanDerWaalsContact C-N 3.3Å; S42-K44 PolarHBondContact O-N 2.88Å; S42-K44 VanDerWaalsContact O-N 3.13Å
45	N	64.8	Low	71.5	Confident	119 Å²	119	101.5 Å²	101.5	64%	0.636	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-125.8	18.8	-175.6	-71	-28.4	0	0	0	112.8	S42 S43 F47	S42-N45 PolarHBondContact O-N 3.5Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 3.43Å; N45-F47 PolarHBondContact O-N 3.47Å
46	R	66.2	Low	72.1	Confident	97 Å²	97	100.8 Å²	100.8	37%	0.366	52%	0.522	S	S	.	.			trans	-70.4	125.3	179.3	-177.7	168	-66.3	145.7	12	109.9	K38 L39 S42 S48 N52	K38-R46 PolarHBondContact O-NH2 2.62Å; K38-R46 VanDerWaalsContact O-NH2 3.14Å; L39-R46 VanDerWaalsContact CA-NH2 3.31Å; L39-R46 PolarHBondContact O-NH1 2.76Å; L39-R46 PolarHBondContact O-NH2 2.96Å; S42-R46 PolarHBondContact O-N 3.25Å; R46-S48 PolarHBondContact O-N 2.87Å; R46-N52 PolarHBondContact O-ND2 3.08Å
47	F	66.8	Low	72.8	Confident	150 Å²	150	98.6 Å²	98.6	66%	0.658	51%	0.512	S	S	*	.			trans	-60.7	117.3	164	179.4	-103.7	0	0	0	108.3	N45 F54	N45-F47 PolarHBondContact O-N 3.47Å; F47-F54 HydrophobicContact CD2-CZ 4.22Å; F47-F54 AromaticContact CE2-CE2 3.88Å; F47-F54 HydrophobicContact CE2-CE2 3.88Å; F47-F54 AromaticContact CE2-CZ 3.83Å; F47-F54 HydrophobicContact CE2-CZ 3.83Å
48	S	70.5	Confident	73.6	Confident	28 Å²	28	101.9 Å²	101.9	20%	0.196	52%	0.518	C	S	.	.			trans	-117.9	118.5	178.3	174.6	0	0	0	0	107.5	R46 Y50 S51	R46-S48 PolarHBondContact O-N 2.87Å; S48-Y50 PolarHBondContact O-N 3.43Å; S48-S51 WeakPolarHBondContact CB-OG 3.21Å; S48-S51 WeakPolarHBondContact OG-CB 3.1Å; S48-S51 PolarHBondContact OG-N 3.49Å; S48-S51 VanDerWaalsContact OG-N 3.09Å; S48-S51 PolarHBondContact OG-OG 3.46Å
49	P	69.8	Low	74.5	Confident	98 Å²	98	102.9 Å²	102.9	64%	0.636	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.8	179.6	25.7	-32.2	0	0	0	112.4
50	Y	73.8	Confident	75.5	Confident	221 Å²	221	99.7 Å²	99.7	87%	0.867	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-33.1	-174.1	-58.2	-68.4	0	0	0	114.2	S48	S48-Y50 PolarHBondContact O-N 3.43Å
51	S	65.6	Low	76.2	Confident	84 Å²	84	96.5 Å²	96.5	59%	0.587	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-12.7	-165	73.8	0	0	0	0	115.5	S48	S48-S51 WeakPolarHBondContact CB-OG 3.21Å; S48-S51 WeakPolarHBondContact OG-CB 3.1Å; S48-S51 PolarHBondContact OG-N 3.49Å; S48-S51 VanDerWaalsContact OG-N 3.09Å; S48-S51 PolarHBondContact OG-OG 3.46Å
52	N	59.8	Low	77	Confident	87 Å²	87	98.1 Å²	98.1	47%	0.465	51%	0.507	S	S	.	.			trans	-118.6	73.9	179.3	-67.1	-32.8	0	0	0	108.6	R46 F54	R46-N52 PolarHBondContact O-ND2 3.08Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.22Å
53	A	68.4	Low	78	Confident	93 Å²	93	98.6 Å²	98.6	77%	0.769	51%	0.508	S	S	*	.			trans	-54.8	107	161.7	0	0	0	0	0	106.3	P55	A53-P55 WeakPolarHBondContact O-CD 3.42Å
54	F	77.2	Confident	79.2	Confident	77 Å²	77	94.6 Å²	94.6	34%	0.338	48%	0.48	S	S	.	.			trans	-47	113.1	174.5	-77.7	-68	0	0	0	107.3	F47 N52 R56 V64 H65	F47-F54 HydrophobicContact CD2-CZ 4.22Å; F47-F54 AromaticContact CE2-CE2 3.88Å; F47-F54 HydrophobicContact CE2-CE2 3.88Å; F47-F54 AromaticContact CE2-CZ 3.83Å; F47-F54 HydrophobicContact CE2-CZ 3.83Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.22Å; F54-R56 PolarHBondContact O-N 3.5Å; F54-V64 VanDerWaalsContact CB-O 3.26Å; F54-V64 WeakPolarHBondContact CB-O 3.38Å; F54-V64 WeakPolarHBondContact CD1-O 3.41Å; F54-H65 WeakPolarHBondContact CE1-O 3.3Å
55	P	85	Confident	80.1	Confident	49 Å²	49	92.6 Å²	92.6	32%	0.318	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-57.9	143.6	-171.1	21.8	-32.8	0	0	0	108.9	A53 V64 S69	A53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-V64 HydrophobicContact CG-CB 4.48Å; P55-V64 WeakPolarHBondContact O-CB 3.25Å; P55-V64 VanDerWaalsContact O-CG2 3.25Å; P55-V64 WeakPolarHBondContact O-CG2 3.41Å; P55-V64 PolarHBondContact O-N 2.85Å; P55-S69 WeakPolarHBondContact CG-O 3.37Å
56	R	90.4	Very high	80.8	Confident	161 Å²	161	90 Å²	90	61%	0.608	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-71.8	140.2	172.6	-62.4	-56.7	-152.2	130.8	-4.8	109	F54 R58 A61 Q62	F54-R56 PolarHBondContact O-N 3.5Å; R56-R58 PolarHBondContact O-N 2.78Å; R56-A61 WeakPolarHBondContact CD-O 3.5Å; R56-A61 PolarHBondContact NH1-O 3.22Å; R56-Q62 CarbonylContact C-O 3.56Å; R56-Q62 WeakPolarHBondContact CA-O 3.48Å
57	C	94.1	Very high	81.5	Confident	4 Å²	4	89.3 Å²	89.3	3%	0.027	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-58.8	130	173.3	177.4	0	0	0	0	108.9	I59 C60 A61 Q62 V64 Y70 C72	C57-I59 PolarHBondContact O-N 2.96Å; C57-I59 VanDerWaalsContact O-N 3.11Å; C57-I59 PolarHBondContact SG-N 3.38Å; C57-C60 VanDerWaalsContact CB-SG 3.56Å; C57-A61 WeakPolarHBondContact O-CA 3.49Å; C57-A61 PolarHBondContact O-N 3.01Å; C57-Q62 WeakPolarHBondContact CB-O 3.5Å; C57-Q62 PolarHBondContact N-O 3.09Å; C57-V64 HydrophobicContact CB-CG2 3.87Å; C57-Y70 WeakPolarHBondContact CA-O 3.19Å; C57-C72 HydrophobicContact CB-CB 4.09Å; C57-C72 PolarHBondContact SG-N 3.1Å
58	R	94.1	Very high	82.4	Confident	159 Å²	159	84.5 Å²	84.5	60%	0.6	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.4	-179.8	-62	179.7	-175.5	-178.2	1.1	114.6	R56 Y70 Y71	R56-R58 PolarHBondContact O-N 2.78Å; R58-Y70 PolarHBondContact N-O 3.35Å; R58-Y71 HydrophobicContact CB-CD1 4.2Å; R58-Y71 HydrophobicContact CB-CE1 3.8Å
59	I	94	Very high	83.3	Confident	82 Å²	82	83.1 Å²	83.1	42%	0.421	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-57.2	-178.8	-63.2	165.5	0	0	0	110.9	C57 Y71 C75 K79 I81	C57-I59 PolarHBondContact O-N 2.96Å; C57-I59 VanDerWaalsContact O-N 3.11Å; C57-I59 PolarHBondContact SG-N 3.38Å; I59-Y71 HydrophobicContact CD1-CD1 3.53Å; I59-Y71 HydrophobicContact CD1-CE1 3.89Å; I59-Y71 HydrophobicContact CD1-CG 4.46Å; I59-Y71 HydrophobicContact CG1-CD1 3.79Å; I59-Y71 HydrophobicContact CG1-CE1 3.96Å; I59-C75 HydrophobicContact CB-CB 4.17Å; I59-C75 HydrophobicContact CD1-CB 3.88Å; I59-C75 HydrophobicContact CG2-CB 4.37Å; I59-K79 HydrophobicContact CD1-CG 4.28Å; I59-I81 HydrophobicContact CD1-CD1 4Å
60	C	94.5	Very high	84.4	Confident	48 Å²	48	83.6 Å²	83.6	32%	0.324	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	0.1	-176	64.4	0	0	0	0	114.2	C57 Q62 C75	C57-C60 VanDerWaalsContact CB-SG 3.56Å; C60-Q62 HydrophobicContact CB-CG 4.35Å; C60-Q62 PolarHBondContact O-N 2.76Å; C60-Q62 PolarHBondContact SG-OE1 3.31Å; C60-C75 VanDerWaalsContact SG-SG 3.61Å
61	A	92.2	Very high	85.4	Confident	60 Å²	60	75.1 Å²	75.1	50%	0.496	41%	0.405	S	S	.	.			trans	57.2	5.5	-175	0	0	0	0	0	115.8	R56 C57	R56-A61 WeakPolarHBondContact CD-O 3.5Å; R56-A61 PolarHBondContact NH1-O 3.22Å; C57-A61 WeakPolarHBondContact O-CA 3.49Å; C57-A61 PolarHBondContact O-N 3.01Å
62	Q	91	Very high	86.7	Confident	98 Å²	98	71.5 Å²	71.5	46%	0.458	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-70.3	153.7	173.8	-65.9	173.4	-35.3	0	0	111.3	R56 C57 C60 V64	R56-Q62 CarbonylContact C-O 3.56Å; R56-Q62 WeakPolarHBondContact CA-O 3.48Å; C57-Q62 WeakPolarHBondContact CB-O 3.5Å; C57-Q62 PolarHBondContact N-O 3.09Å; C60-Q62 HydrophobicContact CB-CG 4.35Å; C60-Q62 PolarHBondContact O-N 2.76Å; C60-Q62 PolarHBondContact SG-OE1 3.31Å; Q62-V64 PolarHBondContact O-N 2.84Å
63	T	89.8	Confident	88.2	Confident	65 Å²	65	73.1 Å²	73.1	40%	0.399	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-63.6	130.9	176.7	47.4	0	0	0	0	111.3
64	V	89.7	Confident	89.4	Confident	5 Å²	5	72 Å²	72	3%	0.03	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-90.2	116.5	177.1	-179.4	0	0	0	0	109.9	F54 P55 C57 Q62 Q66 C72	F54-V64 VanDerWaalsContact CB-O 3.26Å; F54-V64 WeakPolarHBondContact CB-O 3.38Å; F54-V64 WeakPolarHBondContact CD1-O 3.41Å; P55-V64 HydrophobicContact CG-CB 4.48Å; P55-V64 WeakPolarHBondContact O-CB 3.25Å; P55-V64 VanDerWaalsContact O-CG2 3.25Å; P55-V64 WeakPolarHBondContact O-CG2 3.41Å; P55-V64 PolarHBondContact O-N 2.85Å; C57-V64 HydrophobicContact CB-CG2 3.87Å; Q62-V64 PolarHBondContact O-N 2.84Å; V64-Q66 HydrophobicContact CG1-CB 4.44Å; V64-Q66 PolarHBondContact O-N 3.37Å; V64-C72 HydrophobicContact CG2-CB 4.37Å
65	H	83.8	Confident	90.3	Very high	159 Å²	159	69 Å²	69	74%	0.736	35%	0.352	S	S	*	.	S	Bend	trans	-66.3	-19.9	-178.4	-60.8	-72.3	0	0	0	114.8	F54	F54-H65 WeakPolarHBondContact CE1-O 3.3Å
66	Q	80.9	Confident	90.7	Very high	65 Å²	65	66.6 Å²	66.6	30%	0.304	34%	0.336	S	S	.	.	S	Bend	trans	-97.3	124.9	-175.8	-170.8	173.1	28.7	0	0	111.1	V64 S69	V64-Q66 HydrophobicContact CG1-CB 4.44Å; V64-Q66 PolarHBondContact O-N 3.37Å; Q66-S69 PolarHBondContact O-N 2.79Å; Q66-S69 PolarHBondContact OE1-OG 3.38Å
67	P	80.6	Confident	90.9	Very high	82 Å²	82	63.1 Å²	63.1	53%	0.532	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	138.4	175.7	26.7	-33.8	0	0	0	110.7	S69	P67-S69 VanDerWaalsContact C-N 3.26Å; P67-S69 PolarHBondContact O-N 2.88Å
68	G	84.5	Confident	90.8	Very high	49 Å²	49	67.1 Å²	67.1	51%	0.505	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	4.1	-179.4	0	0	0	0	0	115.5
69	S	89.4	Confident	90.8	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.338	C	S	.	.			trans	-93.9	136.2	173.2	-71	0	0	0	0	111.2	P55 Q66 P67 S83 M84	P55-S69 WeakPolarHBondContact CG-O 3.37Å; Q66-S69 PolarHBondContact O-N 2.79Å; Q66-S69 PolarHBondContact OE1-OG 3.38Å; P67-S69 VanDerWaalsContact C-N 3.26Å; P67-S69 PolarHBondContact O-N 2.88Å; S69-S83 CarbonylContact C-O 3.56Å; S69-S83 WeakPolarHBondContact CA-O 3.43Å; S69-M84 WeakPolarHBondContact OG-CG 3.16Å
70	Y	92.8	Very high	90.8	Very high	107 Å²	107	61.1 Å²	61.1	42%	0.42	32%	0.318	S	S	.	.	S	Bend	trans	-96.1	-16.3	176.9	-64.3	-59	0	0	0	113.5	C57 R58 S83 M84	C57-Y70 WeakPolarHBondContact CA-O 3.19Å; R58-Y70 PolarHBondContact N-O 3.35Å; Y70-S83 PolarHBondContact N-O 3.14Å; Y70-M84 WeakPolarHBondContact CD2-O 3.43Å; Y70-M84 WeakPolarHBondContact CE2-O 3.33Å
71	Y	94.6	Very high	90.8	Very high	43 Å²	43	59.8 Å²	59.8	17%	0.169	31%	0.307	C	S	.	.	S	Bend	trans	-126.6	142.2	180	-50.2	-81.3	0	0	0	110	R58 I59 I81 S83	R58-Y71 HydrophobicContact CB-CD1 4.2Å; R58-Y71 HydrophobicContact CB-CE1 3.8Å; I59-Y71 HydrophobicContact CD1-CD1 3.53Å; I59-Y71 HydrophobicContact CD1-CE1 3.89Å; I59-Y71 HydrophobicContact CD1-CG 4.46Å; I59-Y71 HydrophobicContact CG1-CD1 3.79Å; I59-Y71 HydrophobicContact CG1-CE1 3.96Å; Y71-I81 HydrophobicContact CD1-CD1 4.1Å; Y71-I81 HydrophobicContact CD2-CD1 4.04Å; Y71-I81 HydrophobicContact CE1-CD1 4.23Å; Y71-I81 HydrophobicContact CE2-CD1 4.21Å; Y71-I81 HydrophobicContact CG-CD1 3.99Å; Y71-S83 PolarHBondContact N-O 2.89Å; Y71-S83 VanDerWaalsContact N-O 3.08Å; Y71-S83 WeakPolarHBondContact O-CB 3.14Å
72	C	93.7	Very high	91	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.061	28%	0.284	C	S	.	.			trans	-68.7	158.3	173.8	73.6	0	0	0	0	110.6	C57 V64 Q74 C75 A76	C57-C72 HydrophobicContact CB-CB 4.09Å; C57-C72 PolarHBondContact SG-N 3.1Å; V64-C72 HydrophobicContact CG2-CB 4.37Å; C72-Q74 VanDerWaalsContact C-N 3.25Å; C72-Q74 PolarHBondContact O-N 3.33Å; C72-C75 PolarHBondContact O-N 2.87Å; C72-C75 VanDerWaalsContact SG-CB 3.59Å; C72-C75 PolarHBondContact SG-N 3.5Å; C72-C75 PolarHBondContact SG-SG 3.49Å; C72-A76 VanDerWaalsContact O-CB 3.3Å; C72-A76 WeakPolarHBondContact O-CB 3.11Å; C72-A76 PolarHBondContact O-N 3.07Å
73	Q	92.6	Very high	91.2	Very high	121 Å²	121	52.3 Å²	52.3	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-56.1	-41.3	-178.7	-177.9	69.3	-4.6	0	0	112.1	M1 A76 F77	M1-Q73 VanDerWaalsContact N-CD 3.33Å; Q73-A76 PolarHBondContact O-N 3.14Å; Q73-F77 WeakPolarHBondContact O-CB 3.26Å; Q73-F77 PolarHBondContact O-N 3.28Å
74	Q	93.6	Very high	91.3	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-49.2	179.4	-66.8	158.4	-25.3	0	0	111.7	C72 F77 K78 A99 A100	C72-Q74 VanDerWaalsContact C-N 3.25Å; C72-Q74 PolarHBondContact O-N 3.33Å; Q74-F77 PolarHBondContact O-N 3.11Å; Q74-K78 WeakPolarHBondContact O-CB 3.07Å; Q74-K78 VanDerWaalsContact O-CG 3.25Å; Q74-K78 WeakPolarHBondContact O-CG 3.43Å; Q74-K78 PolarHBondContact O-N 3.32Å; Q74-A99 HydrophobicContact CB-CB 3.96Å; Q74-A99 HydrophobicContact CG-CB 3.98Å; Q74-A100 VanDerWaalsContact CD-O 3.24Å; Q74-A100 WeakPolarHBondContact CG-O 3.23Å; Q74-A100 PolarHBondContact NE2-O 3.34Å
75	C	94.2	Very high	91.5	Very high	13 Å²	13	52.5 Å²	52.5	9%	0.088	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-40.6	179.1	-73.5	0	0	0	0	111.7	I59 C60 C72 F77 K78 K79	I59-C75 HydrophobicContact CB-CB 4.17Å; I59-C75 HydrophobicContact CD1-CB 3.88Å; I59-C75 HydrophobicContact CG2-CB 4.37Å; C60-C75 VanDerWaalsContact SG-SG 3.61Å; C72-C75 PolarHBondContact O-N 2.87Å; C72-C75 VanDerWaalsContact SG-CB 3.59Å; C72-C75 PolarHBondContact SG-N 3.5Å; C72-C75 PolarHBondContact SG-SG 3.49Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.24Å; C75-K78 PolarHBondContact O-N 3.18Å; C75-K79 WeakPolarHBondContact O-CB 3.31Å; C75-K79 WeakPolarHBondContact O-CG 3.47Å; C75-K79 PolarHBondContact O-N 3.22Å
76	A	94.6	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-44.6	175.9	0	0	0	0	0	111.3	M1 C72 Q73 G80 I81	M1-A76 HydrophobicContact CB-CB 4.2Å; C72-A76 VanDerWaalsContact O-CB 3.3Å; C72-A76 WeakPolarHBondContact O-CB 3.11Å; C72-A76 PolarHBondContact O-N 3.07Å; Q73-A76 PolarHBondContact O-N 3.14Å; A76-G80 WeakPolarHBondContact O-CA 3.17Å; A76-G80 PolarHBondContact O-N 3.13Å; A76-I81 HydrophobicContact CB-CG1 4.41Å; A76-I81 WeakPolarHBondContact CB-O 3.36Å; A76-I81 PolarHBondContact O-N 3.26Å
77	F	93.9	Very high	92.7	Very high	87 Å²	87	47 Å²	47	38%	0.382	25%	0.25	S	S	.	.	H	α-helix	trans	-66.4	-55.8	175.6	-177.5	-103.6	0	0	0	112.3	Q73 Q74 C75 K79 G80 Q97 A99	Q73-F77 WeakPolarHBondContact O-CB 3.26Å; Q73-F77 PolarHBondContact O-N 3.28Å; Q74-F77 PolarHBondContact O-N 3.11Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.24Å; F77-K79 PolarHBondContact O-N 2.82Å; F77-G80 PolarHBondContact O-N 3.31Å; F77-Q97 HydrophobicContact CD1-CB 4.25Å; F77-Q97 HydrophobicContact CE1-CB 3.94Å; F77-Q97 HydrophobicContact CE1-CG 4.09Å; F77-Q97 HydrophobicContact CZ-CG 4.18Å; F77-Q97 PolarHBondContact O-OE1 3.35Å; F77-Q97 VanDerWaalsContact O-OE1 3.04Å; F77-A99 HydrophobicContact CD1-CB 4.11Å
78	K	93.2	Very high	93.3	Very high	89 Å²	89	48.8 Å²	48.8	39%	0.387	25%	0.247	S	C	.	.	H	α-helix	trans	-52.1	-36.1	-179.9	-72.1	176.6	173.8	169.2	0	113	Q74 C75 Q97 A99	Q74-K78 WeakPolarHBondContact O-CB 3.07Å; Q74-K78 VanDerWaalsContact O-CG 3.25Å; Q74-K78 WeakPolarHBondContact O-CG 3.43Å; Q74-K78 PolarHBondContact O-N 3.32Å; C75-K78 PolarHBondContact O-N 3.18Å; K78-Q97 WeakPolarHBondContact CG-O 3.01Å; K78-A99 WeakPolarHBondContact CE-O 3.37Å; K78-A99 HydrophobicContact CG-CB 4.24Å; K78-A99 PolarHBondContact NZ-O 3.34Å
79	K	92.8	Very high	93.8	Very high	114 Å²	114	49.8 Å²	49.8	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-95.8	-8.6	-179.3	-62.9	-64.7	-173.3	-178.6	0	114.3	I59 C75 F77 I81 R88	I59-K79 HydrophobicContact CD1-CG 4.28Å; C75-K79 WeakPolarHBondContact O-CB 3.31Å; C75-K79 WeakPolarHBondContact O-CG 3.47Å; C75-K79 PolarHBondContact O-N 3.22Å; F77-K79 PolarHBondContact O-N 2.82Å; K79-I81 HydrophobicContact CB-CD1 4.23Å; K79-I81 HydrophobicContact CB-CG1 4.12Å; K79-I81 HydrophobicContact CB-CG2 4.15Å; K79-R88 PolarHBondContact O-NH1 2.9Å
80	G	94.4	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	37.7	-175.6	0	0	0	0	0	113.5	A76 F77 L89 V90	A76-G80 WeakPolarHBondContact O-CA 3.17Å; A76-G80 PolarHBondContact O-N 3.13Å; F77-G80 PolarHBondContact O-N 3.31Å; G80-L89 PolarHBondContact O-N 2.99Å; G80-V90 PolarHBondContact O-N 2.75Å
81	I	95.5	Very high	93.8	Very high	20 Å²	20	52 Å²	52	10%	0.103	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-117	157	-176.8	65.3	176.6	0	0	0	111.8	I59 Y71 A76 K79 S83 V87	I59-I81 HydrophobicContact CD1-CD1 4Å; Y71-I81 HydrophobicContact CD1-CD1 4.1Å; Y71-I81 HydrophobicContact CD2-CD1 4.04Å; Y71-I81 HydrophobicContact CE1-CD1 4.23Å; Y71-I81 HydrophobicContact CE2-CD1 4.21Å; Y71-I81 HydrophobicContact CG-CD1 3.99Å; A76-I81 HydrophobicContact CB-CG1 4.41Å; A76-I81 WeakPolarHBondContact CB-O 3.36Å; A76-I81 PolarHBondContact O-N 3.26Å; K79-I81 HydrophobicContact CB-CD1 4.23Å; K79-I81 HydrophobicContact CB-CG1 4.12Å; K79-I81 HydrophobicContact CB-CG2 4.15Å; I81-S83 PolarHBondContact O-N 2.66Å; I81-V87 CarbonylContact C-O 3.57Å; I81-V87 WeakPolarHBondContact CA-O 3.4Å
82	C	95.9	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.			trans	-68.8	128.6	170.5	179.2	0	0	0	0	111.2	M1 C3 M84 C85 G86 V87 L89	M1-C82 CarbonylContact O-C 3.52Å; M1-C82 WeakPolarHBondContact O-CA 3.26Å; C3-C82 HydrophobicContact CB-CB 4.12Å; C3-C82 PolarHBondContact N-SG 2.83Å; C82-M84 PolarHBondContact O-N 2.9Å; C82-M84 PolarHBondContact SG-N 3.11Å; C82-C85 WeakPolarHBondContact CB-SG 3.34Å; C82-C85 PolarHBondContact SG-SG 3.01Å; C82-G86 VanDerWaalsContact O-CA 3.31Å; C82-G86 WeakPolarHBondContact O-CA 3.3Å; C82-G86 PolarHBondContact O-N 2.79Å; C82-V87 PolarHBondContact N-O 3.3Å; C82-L89 HydrophobicContact CB-CD1 4.02Å
83	S	94	Very high	93.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.4	178	56.4	0	0	0	0	113.6	M1 S69 Y70 Y71 I81	M1-S83 PolarHBondContact O-N 3.48Å; M1-S83 PolarHBondContact O-OG 3.19Å; S69-S83 CarbonylContact C-O 3.56Å; S69-S83 WeakPolarHBondContact CA-O 3.43Å; Y70-S83 PolarHBondContact N-O 3.14Å; Y71-S83 PolarHBondContact N-O 2.89Å; Y71-S83 VanDerWaalsContact N-O 3.08Å; Y71-S83 WeakPolarHBondContact O-CB 3.14Å; I81-S83 PolarHBondContact O-N 2.66Å
84	M	92.6	Very high	93.4	Very high	20 Å²	20	58.5 Å²	58.5	10%	0.099	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-33	-176.4	-62.2	-172.1	83.6	0	0	114.4	V2 C6 K9 L10 S69 Y70 C82	V2-M84 HydrophobicContact CG1-CG 4.4Å; V2-M84 HydrophobicContact CG1-SD 4Å; C6-M84 HydrophobicContact CB-CB 4.03Å; C6-M84 HydrophobicContact CB-CG 4.4Å; C6-M84 HydrophobicContact CB-SD 3.83Å; K9-M84 HydrophobicContact CB-CE 3.95Å; K9-M84 HydrophobicContact CB-SD 4.48Å; K9-M84 HydrophobicContact CD-CE 4.45Å; L10-M84 HydrophobicContact CD2-SD 3.99Å; S69-M84 WeakPolarHBondContact OG-CG 3.16Å; Y70-M84 WeakPolarHBondContact CD2-O 3.43Å; Y70-M84 WeakPolarHBondContact CE2-O 3.33Å; C82-M84 PolarHBondContact O-N 2.9Å; C82-M84 PolarHBondContact SG-N 3.11Å
85	C	94.2	Very high	93.3	Very high	55 Å²	55	62.3 Å²	62.3	37%	0.372	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-10.9	-175.9	65.3	0	0	0	0	114.8	C3 C82 V87	C3-C85 VanDerWaalsContact SG-SG 3.62Å; C82-C85 WeakPolarHBondContact CB-SG 3.34Å; C82-C85 PolarHBondContact SG-SG 3.01Å; C85-V87 HydrophobicContact CB-CG2 4.49Å; C85-V87 PolarHBondContact O-N 2.95Å; C85-V87 VanDerWaalsContact SG-CG2 3.58Å
86	G	93.5	Very high	93	Very high	23 Å²	23	69.1 Å²	69.1	24%	0.237	35%	0.349	C	S	.	.			trans	76.5	-0	-179.9	0	0	0	0	0	115.4	C82 R88	C82-G86 VanDerWaalsContact O-CA 3.31Å; C82-G86 WeakPolarHBondContact O-CA 3.3Å; C82-G86 PolarHBondContact O-N 2.79Å; G86-R88 PolarHBondContact O-N 2.84Å
87	V	95.4	Very high	92.6	Very high	85 Å²	85	71 Å²	71	52%	0.515	36%	0.358	S	S	.	.			trans	-59.3	132.6	173.7	174.2	0	0	0	0	109.4	I81 C82 C85 L89	I81-V87 CarbonylContact C-O 3.57Å; I81-V87 WeakPolarHBondContact CA-O 3.4Å; C82-V87 PolarHBondContact N-O 3.3Å; C85-V87 HydrophobicContact CB-CG2 4.49Å; C85-V87 PolarHBondContact O-N 2.95Å; C85-V87 VanDerWaalsContact SG-CG2 3.58Å; V87-L89 PolarHBondContact O-N 2.67Å
88	R	94.4	Very high	92.3	Very high	120 Å²	120	71.3 Å²	71.3	45%	0.453	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-68.7	122.1	175.6	-166.4	169.1	-175.9	77.3	-3.2	109	K79 G86 N91 T92	K79-R88 PolarHBondContact O-NH1 2.9Å; G86-R88 PolarHBondContact O-N 2.84Å; R88-N91 PolarHBondContact NH2-OD1 3.3Å; R88-T92 PolarHBondContact NH2-OG1 3.01Å
89	L	94	Very high	91.7	Very high	70 Å²	70	68.3 Å²	68.3	37%	0.366	36%	0.363	S	S	.	.			trans	-99.2	-35.9	-179.7	-74.8	166.8	0	0	0	111.6	M1 C3 G80 C82 V87	M1-L89 HydrophobicContact CE-CB 3.43Å; M1-L89 VanDerWaalsContact CE-CB 3.43Å; M1-L89 HydrophobicContact CE-CD1 3.98Å; M1-L89 HydrophobicContact CE-CG 4.35Å; M1-L89 HydrophobicContact CG-CD1 3.69Å; M1-L89 HydrophobicContact SD-CB 4.4Å; M1-L89 HydrophobicContact SD-CD1 4.16Å; C3-L89 HydrophobicContact CB-CD1 4.23Å; C3-L89 HydrophobicContact CB-CD2 3.56Å; C3-L89 HydrophobicContact CB-CG 4.28Å; G80-L89 PolarHBondContact O-N 2.99Å; C82-L89 HydrophobicContact CB-CD1 4.02Å; V87-L89 PolarHBondContact O-N 2.67Å
90	V	91	Very high	90.7	Very high	60 Å²	60	69.7 Å²	69.7	36%	0.364	40%	0.395	S	S	.	.	S	Bend	trans	-135.9	138.6	-178.1	177.2	0	0	0	0	108.6	M1 G80 T92	M1-V90 HydrophobicContact CE-CB 4.08Å; M1-V90 HydrophobicContact CE-CG2 3.56Å; G80-V90 PolarHBondContact O-N 2.75Å; V90-T92 PolarHBondContact O-N 3.07Å
91	N	91.7	Very high	90.5	Very high	93 Å²	93	73.2 Å²	73.2	50%	0.497	42%	0.415	S	S	.	.			trans	-78.3	109.1	170.3	-169.2	4.3	0	0	0	110.2	R88 T93 Y95	R88-N91 PolarHBondContact NH2-OD1 3.3Å; N91-T93 PolarHBondContact ND2-OG1 3.1Å; N91-T93 VanDerWaalsContact OD1-CG2 3.25Å; N91-T93 WeakPolarHBondContact OD1-CG2 3.49Å; N91-T93 PolarHBondContact OD1-N 2.59Å; N91-T93 PolarHBondContact OD1-OG1 3Å; N91-Y95 VanDerWaalsContact O-CD2 3.25Å; N91-Y95 WeakPolarHBondContact O-CD2 3.47Å; N91-Y95 WeakPolarHBondContact O-CE2 3.33Å
92	T	90.4	Very high	90.2	Very high	20 Å²	20	75.9 Å²	75.9	12%	0.123	43%	0.431	C	S	.	.			trans	-90.4	5.4	-176.1	68.2	0	0	0	0	114.1	R88 V90 Q94 Y95	R88-T92 PolarHBondContact NH2-OG1 3.01Å; V90-T92 PolarHBondContact O-N 3.07Å; T92-Q94 PolarHBondContact O-N 3.26Å; T92-Y95 PolarHBondContact O-N 3.03Å
93	T	90.4	Very high	89.9	Confident	109 Å²	109	80.2 Å²	80.2	67%	0.669	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.3	-173.5	48.2	0	0	0	0	113.5	N91	N91-T93 PolarHBondContact ND2-OG1 3.1Å; N91-T93 VanDerWaalsContact OD1-CG2 3.25Å; N91-T93 WeakPolarHBondContact OD1-CG2 3.49Å; N91-T93 PolarHBondContact OD1-N 2.59Å; N91-T93 PolarHBondContact OD1-OG1 3Å
94	Q	92.5	Very high	89.7	Confident	180 Å²	180	84.8 Å²	84.8	84%	0.841	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.9	177.9	-65.3	179.5	-13.1	0	0	113	T92	T92-Q94 PolarHBondContact O-N 3.26Å
95	Y	90.2	Very high	89.5	Confident	149 Å²	149	88.9 Å²	88.9	58%	0.584	51%	0.505	S	S	*	.			trans	-117.3	130.1	-176.1	-62.9	-82.4	0	0	0	111	N91 T92 Q97	N91-Y95 VanDerWaalsContact O-CD2 3.25Å; N91-Y95 WeakPolarHBondContact O-CD2 3.47Å; N91-Y95 WeakPolarHBondContact O-CE2 3.33Å; T92-Y95 PolarHBondContact O-N 3.03Å; Y95-Q97 PolarHBondContact O-N 3.22Å
96	N	88.6	Confident	89.2	Confident	157 Å²	157	91.1 Å²	91.1	84%	0.84	51%	0.514	S	S	*	.			trans	-90.7	75.6	168.3	-167.7	4	0	0	0	110.3	S98	N96-S98 PolarHBondContact O-N 2.97Å
97	Q	86.8	Confident	88.9	Confident	40 Å²	40	96 Å²	96	19%	0.187	53%	0.534	C	S	.	.			trans	-77	105	177.9	-78.1	174.4	82.5	0	0	110.1	F77 K78 Y95	F77-Q97 HydrophobicContact CD1-CB 4.25Å; F77-Q97 HydrophobicContact CE1-CB 3.94Å; F77-Q97 HydrophobicContact CE1-CG 4.09Å; F77-Q97 HydrophobicContact CZ-CG 4.18Å; F77-Q97 PolarHBondContact O-OE1 3.35Å; F77-Q97 VanDerWaalsContact O-OE1 3.04Å; K78-Q97 WeakPolarHBondContact CG-O 3.01Å; Y95-Q97 PolarHBondContact O-N 3.22Å
98	S	87	Confident	88.3	Confident	93 Å²	93	96.8 Å²	96.8	65%	0.65	54%	0.536	S	S	*	.			trans	-97.5	139.8	168.1	42.9	0	0	0	0	110	N96	N96-S98 PolarHBondContact O-N 2.97Å
99	A	81.3	Confident	87.8	Confident	26 Å²	26	94.9 Å²	94.9	22%	0.215	54%	0.542	C	S	.	.			trans	-126.3	132.2	167.6	0	0	0	0	0	106	Q74 F77 K78	Q74-A99 HydrophobicContact CB-CB 3.96Å; Q74-A99 HydrophobicContact CG-CB 3.98Å; F77-A99 HydrophobicContact CD1-CB 4.11Å; K78-A99 WeakPolarHBondContact CE-O 3.37Å; K78-A99 HydrophobicContact CG-CB 4.24Å; K78-A99 PolarHBondContact NZ-O 3.34Å
100	A	70.3	Confident	87.3	Confident	142 Å²	142	97.2 Å²	97.2	100%	1.174	56%	0.558	S	S	*	*			trans	-48.8	0	174.1	0	0	0	0	0	110.7	Q74	Q74-A100 VanDerWaalsContact CD-O 3.24Å; Q74-A100 WeakPolarHBondContact CG-O 3.23Å; Q74-A100 PolarHBondContact NE2-O 3.34Å

Retrieved 100 of 100 residues in 144.5 ms (Link to these results)

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