A0A077YYJ3_TRITR Loading...

Cysteine-rich PDZ-binding protein

AlphaFold DB , UniProt , Accession A0A077YYJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 102 aa.

						>A0A077YYJ3_TRITR|A0A077YYJ3
MVCEACQKKLSKLTTPDPFTHGGKVKGESVGRKVGENKLLGLKKGSKYVPYKDSQFNRCRICRSFVHQVGSHYCQNCSYQKGICAMCGKKMLLTKNYRQSTV
					

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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	81.5	Confident	87.5	Confident	71 Å²	71	87.1 Å²	87.1	35%	0.35	45%	0.449	S	S	.	.				0	137.8	0	-57.2	-168	-53.5	0	0	109.4	S78 Y79 C84 A85	M1-S78 WeakPolarHBondContact CE-O 3.32Å; M1-S78 PolarHBondContact N-OG 3.09Å; M1-Y79 HydrophobicContact CG-CD2 4.17Å; M1-Y79 HydrophobicContact SD-CD2 3.79Å; M1-Y79 HydrophobicContact SD-CE2 4.4Å; M1-C84 CarbonylContact O-C 3.47Å; M1-C84 WeakPolarHBondContact O-CA 3.48Å; M1-A85 WeakPolarHBondContact O-CB 3.45Å; M1-A85 PolarHBondContact O-N 3.39Å
2	V	90.4	Very high	86.1	Confident	34 Å²	34	96.7 Å²	96.7	21%	0.206	49%	0.485	C	S	.	.			trans	-125.6	133.2	-176.9	-175.5	0	0	0	0	109.3	C6 Q7 M86	V2-C6 HydrophobicContact CG1-CB 3.34Å; V2-Q7 HydrophobicContact CG1-CG 4.4Å; V2-M86 HydrophobicContact CG1-CG 4.45Å; V2-M86 HydrophobicContact CG1-SD 4.03Å
3	C	93.2	Very high	84.6	Confident	7 Å²	7	101.1 Å²	101.1	5%	0.047	51%	0.51	C	S	.	.			trans	-72.6	158.9	178.5	70.3	0	0	0	0	111.9	A5 C6 Q7 C84 M91	C3-A5 VanDerWaalsContact C-N 3.27Å; C3-A5 PolarHBondContact O-N 3.16Å; C3-C6 CarbonylContact O-C 3.54Å; C3-C6 WeakPolarHBondContact O-CA 3.34Å; C3-C6 PolarHBondContact O-N 2.84Å; C3-Q7 PolarHBondContact O-N 2.77Å; C3-C84 HydrophobicContact CB-CB 4.15Å; C3-C84 PolarHBondContact N-SG 3.19Å; C3-M91 HydrophobicContact CB-CE 3.67Å; C3-M91 HydrophobicContact CB-CG 4.18Å; C3-M91 HydrophobicContact CB-SD 3.32Å; C3-M91 WeakPolarHBondContact CB-SD 3.35Å
4	E	91.5	Very high	83.1	Confident	151 Å²	151	96.8 Å²	96.8	71%	0.706	49%	0.491	S	S	*	.	H	α-helix	trans	-52.6	-42.7	-178.5	-169.3	-179.3	174.8	0	0	113.1	C6 Q7	E4-C6 VanDerWaalsContact C-N 3.25Å; E4-C6 PolarHBondContact O-N 3.46Å; E4-Q7 PolarHBondContact O-N 3.23Å
5	A	91.1	Very high	81.8	Confident	64 Å²	64	97.2 Å²	97.2	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-31.8	176.2	0	0	0	0	0	113.2	C3	C3-A5 VanDerWaalsContact C-N 3.27Å; C3-A5 PolarHBondContact O-N 3.16Å
6	C	92.8	Very high	80.4	Confident	6 Å²	6	96.8 Å²	96.8	4%	0.041	51%	0.506	C	S	.	.	H	α-helix	trans	-90.9	-18.3	179.3	-70	0	0	0	0	113.1	V2 C3 E4 K8 K9 M86 C87	V2-C6 HydrophobicContact CG1-CB 3.34Å; C3-C6 CarbonylContact O-C 3.54Å; C3-C6 WeakPolarHBondContact O-CA 3.34Å; C3-C6 PolarHBondContact O-N 2.84Å; E4-C6 VanDerWaalsContact C-N 3.25Å; E4-C6 PolarHBondContact O-N 3.46Å; C6-K8 PolarHBondContact O-N 3.25Å; C6-K9 WeakPolarHBondContact O-CB 3.32Å; C6-K9 PolarHBondContact O-N 3.03Å; C6-M86 HydrophobicContact CB-CB 4.12Å; C6-M86 HydrophobicContact CB-SD 3.83Å; C6-C87 VanDerWaalsContact SG-SG 3.7Å
7	Q	88.9	Confident	79.2	Confident	118 Å²	118	95.1 Å²	95.1	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-57.7	-34.8	173.9	-75.8	176.8	-16.9	0	0	111.5	V2 C3 E4 K9 L10	V2-Q7 HydrophobicContact CG1-CG 4.4Å; C3-Q7 PolarHBondContact O-N 2.77Å; E4-Q7 PolarHBondContact O-N 3.23Å; Q7-K9 PolarHBondContact O-N 3.18Å; Q7-L10 VanDerWaalsContact O-CB 3.31Å; Q7-L10 WeakPolarHBondContact O-CB 3.46Å; Q7-L10 PolarHBondContact O-N 2.8Å; Q7-L10 VanDerWaalsContact O-N 3.08Å
8	K	88.3	Confident	78.3	Confident	184 Å²	184	96.1 Å²	96.1	80%	0.8	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.1	174.3	-60.2	-178.2	-177.2	-179.1	0	113.8	C6	C6-K8 PolarHBondContact O-N 3.25Å
9	K	86.1	Confident	77.7	Confident	157 Å²	157	101.1 Å²	101.1	68%	0.683	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.4	179.2	-55.3	-177.5	-179.4	-174.7	0	112.8	C6 Q7 M86	C6-K9 WeakPolarHBondContact O-CB 3.32Å; C6-K9 PolarHBondContact O-N 3.03Å; Q7-K9 PolarHBondContact O-N 3.18Å; K9-M86 HydrophobicContact CB-SD 4.25Å
10	L	83.8	Confident	77	Confident	75 Å²	75	98.1 Å²	98.1	39%	0.393	51%	0.514	S	S	.	.	S	Bend	trans	-70.2	137.1	-177.7	-162.8	68.6	0	0	0	109.6	Q7 K12 M86	Q7-L10 VanDerWaalsContact O-CB 3.31Å; Q7-L10 WeakPolarHBondContact O-CB 3.46Å; Q7-L10 PolarHBondContact O-N 2.8Å; Q7-L10 VanDerWaalsContact O-N 3.08Å; L10-K12 PolarHBondContact O-N 3.45Å; L10-M86 HydrophobicContact CD1-CE 3.7Å
11	S	74.8	Confident	76.2	Confident	91 Å²	91	101.9 Å²	101.9	64%	0.636	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.4	123.1	171	55.8	0	0	0	0	109.3	L13	S11-L13 PolarHBondContact O-N 2.83Å
12	K	70.5	Confident	75.1	Confident	202 Å²	202	99.2 Å²	99.2	88%	0.878	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-69.9	122.4	174.1	-64.6	-179.4	-177.6	178.4	0	108.5	L10	L10-K12 PolarHBondContact O-N 3.45Å
13	L	66.9	Low	73.4	Confident	154 Å²	154	97.8 Å²	97.8	81%	0.806	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-84.1	121.1	170.2	-66.6	173.9	0	0	0	108.1	S11 T15	S11-L13 PolarHBondContact O-N 2.83Å; L13-T15 PolarHBondContact O-N 3.41Å; L13-T15 VanDerWaalsContact O-N 3.11Å
14	T	64.1	Low	71.6	Confident	41 Å²	41	103.2 Å²	103.2	25%	0.252	54%	0.535	S	S	.	.			trans	-63.5	109.1	167.7	-42.8	0	0	0	0	107.8	G23 V25 R32	T14-G23 WeakPolarHBondContact CG2-O 3.26Å; T14-V25 HydrophobicContact CG2-CG2 3.64Å; T14-R32 PolarHBondContact O-NH2 3.27Å
15	T	62.7	Low	70	Confident	103 Å²	103	99.1 Å²	99.1	63%	0.632	52%	0.52	S	S	*	.			trans	-66.1	130.3	172	46.3	0	0	0	0	108.2	L13 D17	L13-T15 PolarHBondContact O-N 3.41Å; L13-T15 VanDerWaalsContact O-N 3.11Å; T15-D17 PolarHBondContact O-N 3.09Å
16	P	59.9	Low	68.3	Low	91 Å²	91	106 Å²	106	59%	0.591	54%	0.538	S	S	*	.			trans	-60.7	104.2	166.3	24.4	-27.4	0	0	0	107.9	P18 R32	P16-P18 WeakPolarHBondContact O-CD 3.46Å; P16-R32 VanDerWaalsContact CB-NH1 3.34Å
17	D	59.8	Low	66.5	Low	68 Å²	68	110 Å²	110	36%	0.364	58%	0.58	S	S	.	*			trans	-78.3	114.5	164.8	175.9	-7	0	0	0	107.3	T15 F19 T20	T15-D17 PolarHBondContact O-N 3.09Å; D17-F19 PolarHBondContact O-N 3.28Å; D17-F19 PolarHBondContact OD1-N 2.88Å; D17-T20 HydrophobicContact CB-CG2 4.25Å; D17-T20 WeakPolarHBondContact CB-OG1 3.41Å; D17-T20 PolarHBondContact O-N 2.93Å; D17-T20 VanDerWaalsContact O-N 3.08Å; D17-T20 VanDerWaalsContact O-O 3.1Å; D17-T20 PolarHBondContact O-OG1 2.86Å; D17-T20 VanDerWaalsContact O-OG1 3.08Å
18	P	62.5	Low	64.9	Low	113 Å²	113	109.6 Å²	109.6	73%	0.734	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-23.5	-176	23.6	-31.6	0	0	0	113.5	P16	P16-P18 WeakPolarHBondContact O-CD 3.46Å
19	F	68.2	Low	63.2	Low	191 Å²	191	106.6 Å²	106.6	84%	0.838	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-10.3	179.1	-58.7	-74.2	0	0	0	113.2	D17	D17-F19 PolarHBondContact O-N 3.28Å; D17-F19 PolarHBondContact OD1-N 2.88Å
20	T	62.8	Low	61.8	Low	41 Å²	41	103.7 Å²	103.7	25%	0.252	58%	0.575	S	S	.	*	S	Bend	trans	-102.5	117.9	172.9	66.7	0	0	0	0	109.4	D17 G22 G23 K24	D17-T20 HydrophobicContact CB-CG2 4.25Å; D17-T20 WeakPolarHBondContact CB-OG1 3.41Å; D17-T20 PolarHBondContact O-N 2.93Å; D17-T20 VanDerWaalsContact O-N 3.08Å; D17-T20 VanDerWaalsContact O-O 3.1Å; D17-T20 PolarHBondContact O-OG1 2.86Å; D17-T20 VanDerWaalsContact O-OG1 3.08Å; T20-G22 PolarHBondContact O-N 2.93Å; T20-G23 PolarHBondContact O-N 3.45Å; T20-G23 WeakPolarHBondContact OG1-CA 3.37Å; T20-G23 PolarHBondContact OG1-N 2.9Å; T20-K24 PolarHBondContact OG1-N 2.85Å; T20-K24 VanDerWaalsContact OG1-N 3.07Å
21	H	59.4	Low	60.5	Low	177 Å²	177	101.3 Å²	101.3	82%	0.819	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	111.6	172.5	-72.6	-73.8	0	0	0	109.9
22	G	58.5	Low	60	Low	15 Å²	15	101.9 Å²	101.9	16%	0.155	56%	0.557	C	S	.	*	T	Hydrogen-bonded Turn	trans	87.5	8.3	-179.3	0	0	0	0	0	115.9	T20 R32	T20-G22 PolarHBondContact O-N 2.93Å; G22-R32 VanDerWaalsContact CA-O 3.3Å; G22-R32 WeakPolarHBondContact CA-O 3.41Å; G22-R32 VanDerWaalsContact O-CB 3.31Å; G22-R32 WeakPolarHBondContact O-CB 3.35Å; G22-R32 PolarHBondContact O-N 3.28Å
23	G	56	Low	59.9	Low	4 Å²	4	99.6 Å²	99.6	4%	0.041	55%	0.547	C	S	.	.			trans	63.4	47	177.7	0	0	0	0	0	112.5	T14 T20 V25	T14-G23 WeakPolarHBondContact CG2-O 3.26Å; T20-G23 PolarHBondContact O-N 3.45Å; T20-G23 WeakPolarHBondContact OG1-CA 3.37Å; T20-G23 PolarHBondContact OG1-N 2.9Å; G23-V25 PolarHBondContact O-N 2.86Å
24	K	55.7	Low	60	Low	121 Å²	121	98.2 Å²	98.2	53%	0.526	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-74.6	122.4	179.9	-68.7	-179.7	-177.1	179.6	0	109.2	T20	T20-K24 PolarHBondContact OG1-N 2.85Å; T20-K24 VanDerWaalsContact OG1-N 3.07Å
25	V	57.2	Low	60.4	Low	65 Å²	65	100.3 Å²	100.3	39%	0.394	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-73.9	134.8	164	170.7	0	0	0	0	108	T14 G23 G27 E28	T14-V25 HydrophobicContact CG2-CG2 3.64Å; G23-V25 PolarHBondContact O-N 2.86Å; V25-G27 PolarHBondContact O-N 3.31Å; V25-E28 PolarHBondContact O-N 3.21Å; V25-E28 VanDerWaalsContact O-N 3.12Å
26	K	55.9	Low	60.9	Low	210 Å²	210	98.7 Å²	98.7	91%	0.913	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	123	174.7	-73.8	-177.3	177.3	179.2	0	109.8
27	G	54.7	Low	61.4	Low	89 Å²	89	98.7 Å²	98.7	92%	0.918	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	96	-8.9	177.8	0	0	0	0	0	116	V25	V25-G27 PolarHBondContact O-N 3.31Å
28	E	54.5	Low	62	Low	109 Å²	109	99.3 Å²	99.3	51%	0.509	55%	0.554	S	S	.	*			trans	-110.8	127.5	172.6	-78	-176.9	147.7	0	0	110.8	V25 V30	V25-E28 PolarHBondContact O-N 3.21Å; V25-E28 VanDerWaalsContact O-N 3.12Å; E28-V30 HydrophobicContact CB-CG2 4.44Å; E28-V30 PolarHBondContact O-N 3.43Å; E28-V30 VanDerWaalsContact O-N 3.11Å
29	S	52.5	Low	62.4	Low	122 Å²	122	100.4 Å²	100.4	85%	0.853	55%	0.553	S	S	*	*			trans	-69.9	-0.8	172.9	68.3	0	0	0	0	113.2	G31	S29-G31 PolarHBondContact O-N 2.88Å
30	V	56.5	Low	62.7	Low	96 Å²	96	97.9 Å²	97.9	58%	0.582	55%	0.547	S	S	*	.			trans	-84.8	59.2	-172.9	-163.9	0	0	0	0	110.5	E28	E28-V30 HydrophobicContact CB-CG2 4.44Å; E28-V30 PolarHBondContact O-N 3.43Å; E28-V30 VanDerWaalsContact O-N 3.11Å
31	G	58.5	Low	63	Low	24 Å²	24	97.9 Å²	97.9	25%	0.247	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-67.2	143.9	165.2	0	0	0	0	0	110.6	S29 K33	S29-G31 PolarHBondContact O-N 2.88Å; G31-K33 PolarHBondContact O-N 3.23Å
32	R	62.7	Low	63.4	Low	104 Å²	104	93 Å²	93	39%	0.392	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-68.1	129.3	166.1	-63.9	-177.2	179.8	116.7	0.3	108.1	T14 P16 G22 V34	T14-R32 PolarHBondContact O-NH2 3.27Å; P16-R32 VanDerWaalsContact CB-NH1 3.34Å; G22-R32 VanDerWaalsContact CA-O 3.3Å; G22-R32 WeakPolarHBondContact CA-O 3.41Å; G22-R32 VanDerWaalsContact O-CB 3.31Å; G22-R32 WeakPolarHBondContact O-CB 3.35Å; G22-R32 PolarHBondContact O-N 3.28Å; R32-V34 PolarHBondContact O-N 2.75Å
33	K	68.1	Low	63.9	Low	154 Å²	154	100.4 Å²	100.4	67%	0.67	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.9	168.8	-63.7	179.5	179.6	-178.1	0	108.4	G31 E36 K38	G31-K33 PolarHBondContact O-N 3.23Å; K33-E36 HydrophobicContact CB-CG 4.24Å; K33-K38 PolarHBondContact O-NZ 3.29Å
34	V	69.4	Low	64.4	Low	124 Å²	124	110.5 Å²	110.5	75%	0.752	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	143.6	175.2	-179.6	0	0	0	0	108.1	R32 E36	R32-V34 PolarHBondContact O-N 2.75Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.25Å
35	G	72.3	Confident	64.9	Low	85 Å²	85	106.5 Å²	106.5	88%	0.876	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.3	-1.6	177.4	0	0	0	0	0	116.1
36	E	73.2	Confident	65.4	Low	70 Å²	70	107.5 Å²	107.5	33%	0.327	61%	0.609	S	S	.	*			trans	-83.2	139.6	174.8	77.6	-174.1	166.1	0	0	111.8	K33 V34 K38	K33-E36 HydrophobicContact CB-CG 4.24Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.25Å; E36-K38 HydrophobicContact CG-CD 4.09Å; E36-K38 PolarHBondContact O-N 3.35Å; E36-K38 VanDerWaalsContact O-N 3.08Å; E36-K38 IonicContact OE1-NZ 2.65Å; E36-K38 PolarHBondContact OE1-NZ 3.36Å
37	N	72	Confident	66.1	Low	90 Å²	90	102 Å²	102	48%	0.481	59%	0.585	S	S	.	*			trans	-67	108.5	170.9	-176.9	-27.9	0	0	0	109.2	L39 L40 G41	N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 3.4Å; N37-L39 WeakPolarHBondContact OD1-CB 3.49Å; N37-L39 PolarHBondContact OD1-N 2.91Å; N37-L40 HydrophobicContact CB-CB 4.28Å; N37-L40 HydrophobicContact CB-CD1 4.28Å; N37-L40 HydrophobicContact CB-CG 4.37Å; N37-L40 PolarHBondContact O-N 3.41Å; N37-L40 VanDerWaalsContact O-N 3.08Å; N37-L40 PolarHBondContact OD1-N 3Å; N37-G41 PolarHBondContact O-N 2.76Å
38	K	71.8	Confident	66.9	Low	81 Å²	81	102.2 Å²	102.2	35%	0.352	56%	0.559	S	S	.	*	H	α-helix	trans	-62.9	-31.5	-176	-62	-65	169.7	-172	0	112.9	K33 E36 L40 L42	K33-K38 PolarHBondContact O-NZ 3.29Å; E36-K38 HydrophobicContact CG-CD 4.09Å; E36-K38 PolarHBondContact O-N 3.35Å; E36-K38 VanDerWaalsContact O-N 3.08Å; E36-K38 IonicContact OE1-NZ 2.65Å; E36-K38 PolarHBondContact OE1-NZ 3.36Å; K38-L40 VanDerWaalsContact C-N 3.25Å; K38-L40 PolarHBondContact O-N 3.34Å; K38-L42 HydrophobicContact CB-CD1 4.01Å; K38-L42 HydrophobicContact CD-CD1 4.44Å; K38-L42 WeakPolarHBondContact O-CB 3.3Å; K38-L42 WeakPolarHBondContact O-CD1 3.35Å; K38-L42 PolarHBondContact O-N 3.22Å
39	L	71.2	Confident	67.8	Low	137 Å²	137	99.1 Å²	99.1	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-65.8	-32.6	177	-62.4	176.3	0	0	0	111.8	N37 K47	N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 3.4Å; N37-L39 WeakPolarHBondContact OD1-CB 3.49Å; N37-L39 PolarHBondContact OD1-N 2.91Å; L39-K47 WeakPolarHBondContact O-CE 3.36Å; L39-K47 PolarHBondContact O-NZ 3.36Å
40	L	74.3	Confident	68.6	Low	137 Å²	137	95 Å²	95	72%	0.717	52%	0.518	S	S	*	.	H	α-helix	trans	-93.9	-37.4	-178.8	-60	178.9	0	0	0	112.9	N37 K38	N37-L40 HydrophobicContact CB-CB 4.28Å; N37-L40 HydrophobicContact CB-CD1 4.28Å; N37-L40 HydrophobicContact CB-CG 4.37Å; N37-L40 PolarHBondContact O-N 3.41Å; N37-L40 VanDerWaalsContact O-N 3.08Å; N37-L40 PolarHBondContact OD1-N 3Å; K38-L40 VanDerWaalsContact C-N 3.25Å; K38-L40 PolarHBondContact O-N 3.34Å
41	G	69.3	Low	69.3	Low	41 Å²	41	99.5 Å²	99.5	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-81.6	-14.4	-176.7	0	0	0	0	0	115	N37 K43	N37-G41 PolarHBondContact O-N 2.76Å; G41-K43 PolarHBondContact O-N 3.26Å
42	L	68.3	Low	69.8	Low	75 Å²	75	103.2 Å²	103.2	39%	0.393	54%	0.535	S	S	.	.	S	Bend	trans	-61.2	123.5	172.5	-105.5	68.8	0	0	0	110.1	K38 K44 K47	K38-L42 HydrophobicContact CB-CD1 4.01Å; K38-L42 HydrophobicContact CD-CD1 4.44Å; K38-L42 WeakPolarHBondContact O-CB 3.3Å; K38-L42 WeakPolarHBondContact O-CD1 3.35Å; K38-L42 PolarHBondContact O-N 3.22Å; L42-K44 PolarHBondContact O-N 3.05Å; L42-K47 HydrophobicContact CB-CG 4.36Å; L42-K47 HydrophobicContact CD2-CG 4.38Å
43	K	68.3	Low	70	Confident	170 Å²	170	102.2 Å²	102.2	74%	0.739	54%	0.537	S	S	*	.			trans	-49.1	135.6	176.9	-68.6	-177.5	179.9	-179.9	0	110.6	G41 G45 S46	G41-K43 PolarHBondContact O-N 3.26Å; K43-G45 PolarHBondContact O-N 2.86Å; K43-S46 PolarHBondContact O-N 2.96Å
44	K	65.7	Low	70.1	Confident	216 Å²	216	100.1 Å²	100.1	94%	0.939	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	113.7	172.7	-76.6	-177.1	178.9	177.1	0	108.4	L42	L42-K44 PolarHBondContact O-N 3.05Å
45	G	65.9	Low	70.4	Confident	38 Å²	38	97.3 Å²	97.3	39%	0.392	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.3	-18.9	-177.3	0	0	0	0	0	115.4	K43 K47	K43-G45 PolarHBondContact O-N 2.86Å; G45-K47 VanDerWaalsContact C-N 3.34Å
46	S	68.1	Low	70.8	Confident	85 Å²	85	93.9 Å²	93.9	59%	0.594	48%	0.482	S	S	*	.	S	Bend	trans	-86.5	-6.8	173	-57.1	0	0	0	0	113.4	K43	K43-S46 PolarHBondContact O-N 2.96Å
47	K	70.9	Confident	71.5	Confident	94 Å²	94	93.1 Å²	93.1	41%	0.409	48%	0.48	S	S	.	.	S	Bend	trans	-77.7	139.6	177.4	-62.9	-177.2	179.9	-174.8	0	109.4	L39 L42 G45 V49	L39-K47 WeakPolarHBondContact O-CE 3.36Å; L39-K47 PolarHBondContact O-NZ 3.36Å; L42-K47 HydrophobicContact CB-CG 4.36Å; L42-K47 HydrophobicContact CD2-CG 4.38Å; G45-K47 VanDerWaalsContact C-N 3.34Å; K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 PolarHBondContact O-N 3.09Å
48	Y	71.3	Confident	72.3	Confident	95 Å²	95	95 Å²	95	37%	0.373	48%	0.48	S	S	.	.			trans	-63.1	117.3	167.4	-179.7	-105	0	0	0	108.8	P50 F56 H67	Y48-P50 HydrophobicContact CE1-CB 3.86Å; Y48-P50 HydrophobicContact CE1-CG 4.22Å; Y48-F56 AromaticContact CD2-CD1 3.84Å; Y48-F56 HydrophobicContact CD2-CD1 3.84Å; Y48-F56 HydrophobicContact CD2-CD2 4.15Å; Y48-F56 AromaticContact CD2-CE1 3.39Å; Y48-F56 HydrophobicContact CD2-CE1 3.39Å; Y48-F56 AromaticContact CD2-CE2 3.76Å; Y48-F56 HydrophobicContact CD2-CE2 3.76Å; Y48-F56 HydrophobicContact CD2-CG 4.19Å; Y48-F56 AromaticContact CD2-CZ 3.36Å; Y48-F56 HydrophobicContact CD2-CZ 3.36Å; Y48-F56 AromaticContact CE2-CD1 3.5Å; Y48-F56 HydrophobicContact CE2-CD1 3.5Å; Y48-F56 HydrophobicContact CE2-CD2 4.12Å; Y48-F56 AromaticContact CE2-CE1 3.57Å; Y48-F56 HydrophobicContact CE2-CE1 3.57Å; Y48-F56 HydrophobicContact CE2-CE2 4.2Å; Y48-F56 AromaticContact CE2-CG 3.78Å; Y48-F56 HydrophobicContact CE2-CG 3.78Å; Y48-F56 AromaticContact CE2-CZ 3.94Å; Y48-F56 HydrophobicContact CE2-CZ 3.94Å; Y48-F56 HydrophobicContact CG-CZ 4.32Å; Y48-H67 AromaticContact CE2-ND1 3.94Å; Y48-H67 AromaticContact CZ-ND1 3.49Å; Y48-H67 PolarHBondContact OH-ND1 3.15Å
49	V	74.2	Confident	73.2	Confident	44 Å²	44	91.2 Å²	91.2	27%	0.267	46%	0.464	S	S	.	.			trans	-123	100.1	177	-174.8	0	0	0	0	107.4	K47 Y51 K52 F56	K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 PolarHBondContact O-N 3.09Å; V49-Y51 PolarHBondContact O-N 3.25Å; V49-Y51 VanDerWaalsContact O-N 3.14Å; V49-K52 HydrophobicContact CB-CB 4.31Å; V49-K52 HydrophobicContact CB-CD 4.01Å; V49-K52 HydrophobicContact CB-CG 4.07Å; V49-K52 HydrophobicContact CG1-CB 4.3Å; V49-K52 HydrophobicContact CG1-CD 4.02Å; V49-K52 HydrophobicContact CG1-CG 3.73Å; V49-K52 HydrophobicContact CG2-CD 4.36Å; V49-K52 PolarHBondContact O-N 2.92Å; V49-K52 VanDerWaalsContact O-N 3.16Å; V49-F56 WeakPolarHBondContact O-CD2 3.18Å
50	P	68.4	Low	74.3	Confident	35 Å²	35	92.3 Å²	92.3	23%	0.227	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	-171.3	23.5	-32.7	0	0	0	113.2	Y48 F65	Y48-P50 HydrophobicContact CE1-CB 3.86Å; Y48-P50 HydrophobicContact CE1-CG 4.22Å; P50-F65 WeakPolarHBondContact O-CD1 3.11Å; P50-F65 WeakPolarHBondContact O-CE1 3.31Å
51	Y	71.5	Confident	75.2	Confident	190 Å²	190	88.7 Å²	88.7	75%	0.745	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.6	-177.6	-50.2	-70.8	0	0	0	114.3	V49 D53	V49-Y51 PolarHBondContact O-N 3.25Å; V49-Y51 VanDerWaalsContact O-N 3.14Å; Y51-D53 PolarHBondContact O-N 3.46Å
52	K	70	Confident	76.3	Confident	102 Å²	102	89.9 Å²	89.9	44%	0.443	44%	0.44	S	S	.	.			trans	-87.7	89.4	175.3	-75.2	-174.9	-178.5	-173.6	0	109.5	V49 S54 Q55 F56	V49-K52 HydrophobicContact CB-CB 4.31Å; V49-K52 HydrophobicContact CB-CD 4.01Å; V49-K52 HydrophobicContact CB-CG 4.07Å; V49-K52 HydrophobicContact CG1-CB 4.3Å; V49-K52 HydrophobicContact CG1-CD 4.02Å; V49-K52 HydrophobicContact CG1-CG 3.73Å; V49-K52 HydrophobicContact CG2-CD 4.36Å; V49-K52 PolarHBondContact O-N 2.92Å; V49-K52 VanDerWaalsContact O-N 3.16Å; K52-S54 PolarHBondContact O-N 3.18Å; K52-Q55 PolarHBondContact O-N 3.49Å; K52-Q55 VanDerWaalsContact O-N 3.09Å; K52-F56 PolarHBondContact O-N 3Å; K52-F56 VanDerWaalsContact O-N 3.15Å
53	D	66.3	Low	77.4	Confident	83 Å²	83	96.1 Å²	96.1	44%	0.444	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.4	178.6	-73	-42.9	0	0	0	112.6	Y51 Q55 R58	Y51-D53 PolarHBondContact O-N 3.46Å; D53-Q55 VanDerWaalsContact C-N 3.33Å; D53-Q55 PolarHBondContact O-N 2.8Å; D53-R58 IonicContact OD1-NE 3.52Å; D53-R58 IonicContact OD1-NH2 3.6Å; D53-R58 IonicContact OD2-NH2 3.88Å
54	S	70.6	Confident	78.4	Confident	110 Å²	110	90.4 Å²	90.4	77%	0.769	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.1	179	60.8	0	0	0	0	114.7	K52	K52-S54 PolarHBondContact O-N 3.18Å
55	Q	75.2	Confident	79.5	Confident	65 Å²	65	83.1 Å²	83.1	30%	0.304	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-41.1	-179.1	-69.9	-175.8	-35.2	0	0	112	K52 D53	K52-Q55 PolarHBondContact O-N 3.49Å; K52-Q55 VanDerWaalsContact O-N 3.09Å; D53-Q55 VanDerWaalsContact C-N 3.33Å; D53-Q55 PolarHBondContact O-N 2.8Å
56	F	81.4	Confident	80.6	Confident	14 Å²	14	81.6 Å²	81.6	6%	0.061	39%	0.391	C	S	.	.	S	Bend	trans	-114.6	96.1	-176	-61.5	-73.9	0	0	0	109.4	Y48 V49 K52 V66 H67 V69	Y48-F56 AromaticContact CD2-CD1 3.84Å; Y48-F56 HydrophobicContact CD2-CD1 3.84Å; Y48-F56 HydrophobicContact CD2-CD2 4.15Å; Y48-F56 AromaticContact CD2-CE1 3.39Å; Y48-F56 HydrophobicContact CD2-CE1 3.39Å; Y48-F56 AromaticContact CD2-CE2 3.76Å; Y48-F56 HydrophobicContact CD2-CE2 3.76Å; Y48-F56 HydrophobicContact CD2-CG 4.19Å; Y48-F56 AromaticContact CD2-CZ 3.36Å; Y48-F56 HydrophobicContact CD2-CZ 3.36Å; Y48-F56 AromaticContact CE2-CD1 3.5Å; Y48-F56 HydrophobicContact CE2-CD1 3.5Å; Y48-F56 HydrophobicContact CE2-CD2 4.12Å; Y48-F56 AromaticContact CE2-CE1 3.57Å; Y48-F56 HydrophobicContact CE2-CE1 3.57Å; Y48-F56 HydrophobicContact CE2-CE2 4.2Å; Y48-F56 AromaticContact CE2-CG 3.78Å; Y48-F56 HydrophobicContact CE2-CG 3.78Å; Y48-F56 AromaticContact CE2-CZ 3.94Å; Y48-F56 HydrophobicContact CE2-CZ 3.94Å; Y48-F56 HydrophobicContact CG-CZ 4.32Å; V49-F56 WeakPolarHBondContact O-CD2 3.18Å; K52-F56 PolarHBondContact O-N 3Å; K52-F56 VanDerWaalsContact O-N 3.15Å; F56-V66 WeakPolarHBondContact CD1-O 3.46Å; F56-H67 WeakPolarHBondContact CE1-O 3.17Å; F56-V69 HydrophobicContact CD1-CG2 4.26Å; F56-V69 HydrophobicContact CE1-CG2 3.57Å; F56-V69 HydrophobicContact CZ-CG2 3.83Å
57	N	86.2	Confident	81.3	Confident	54 Å²	54	84.3 Å²	84.3	29%	0.289	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-66.6	155.6	176.9	-68.4	-40.5	0	0	0	110.8	V66	N57-V66 WeakPolarHBondContact O-CB 3.41Å; N57-V66 VanDerWaalsContact O-CG2 3.22Å; N57-V66 WeakPolarHBondContact O-CG2 3.34Å; N57-V66 PolarHBondContact O-N 3.04Å
58	R	89	Confident	81.8	Confident	130 Å²	130	84.1 Å²	84.1	49%	0.491	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-81.5	146.6	166.6	-59.9	-175	-155.8	-162.9	6.9	110.3	D53 R60 S64 F65	D53-R58 IonicContact OD1-NE 3.52Å; D53-R58 IonicContact OD1-NH2 3.6Å; D53-R58 IonicContact OD2-NH2 3.88Å; R58-R60 PolarHBondContact O-N 3.08Å; R58-S64 CarbonylContact C-O 3.51Å; R58-S64 WeakPolarHBondContact CA-O 3.45Å; R58-F65 HydrophobicContact CG-CD1 4.05Å; R58-F65 HydrophobicContact CG-CE1 4.01Å
59	C	92.4	Very high	82.4	Confident	1 Å²	1	84 Å²	84	1%	0.007	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-61.9	130.2	176.3	177	0	0	0	0	109.9	I61 C62 R63 S64 V66 H72 C74	C59-I61 PolarHBondContact O-N 3.27Å; C59-I61 VanDerWaalsContact O-N 3.09Å; C59-I61 PolarHBondContact SG-N 3.18Å; C59-I61 VanDerWaalsContact SG-N 3.4Å; C59-C62 VanDerWaalsContact SG-SG 3.67Å; C59-R63 WeakPolarHBondContact O-CA 3.22Å; C59-R63 PolarHBondContact O-N 3.17Å; C59-S64 PolarHBondContact N-O 3.35Å; C59-V66 HydrophobicContact CB-CG2 4.01Å; C59-H72 WeakPolarHBondContact CA-O 3.38Å; C59-C74 HydrophobicContact CB-CB 4.03Å; C59-C74 PolarHBondContact SG-N 3.08Å; C59-C74 VanDerWaalsContact SG-N 3.36Å
60	R	92.8	Very high	82.9	Confident	159 Å²	159	84 Å²	84	60%	0.6	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.8	178.9	-65.2	179.6	179.6	172	0.3	114.7	R58 H72 Y73	R58-R60 PolarHBondContact O-N 3.08Å; R60-H72 HydrophobicContact CG-CB 4.45Å; R60-H72 PolarHBondContact N-O 3.2Å; R60-H72 PolarHBondContact NH2-CE1 3.21Å; R60-H72 PolarHBondContact NH2-NE2 3.08Å; R60-Y73 HydrophobicContact CB-CD1 4.3Å; R60-Y73 HydrophobicContact CB-CE1 3.85Å
61	I	93.4	Very high	84	Confident	61 Å²	61	82.4 Å²	82.4	31%	0.313	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-64.7	-177.7	-60.6	162.8	0	0	0	110.4	C59 Y73 C77 K81 I83	C59-I61 PolarHBondContact O-N 3.27Å; C59-I61 VanDerWaalsContact O-N 3.09Å; C59-I61 PolarHBondContact SG-N 3.18Å; C59-I61 VanDerWaalsContact SG-N 3.4Å; I61-Y73 HydrophobicContact CD1-CD1 3.49Å; I61-Y73 VanDerWaalsContact CD1-CD1 3.49Å; I61-Y73 HydrophobicContact CD1-CE1 3.82Å; I61-Y73 HydrophobicContact CG1-CD1 3.82Å; I61-Y73 HydrophobicContact CG1-CE1 3.92Å; I61-C77 HydrophobicContact CB-CB 4.24Å; I61-C77 HydrophobicContact CD1-CB 3.75Å; I61-C77 HydrophobicContact CG2-CB 4.49Å; I61-K81 HydrophobicContact CD1-CD 3.65Å; I61-I83 HydrophobicContact CD1-CD1 4.1Å
62	C	93.6	Very high	85	Confident	66 Å²	66	75.9 Å²	75.9	45%	0.446	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-3.2	-176	62.3	0	0	0	0	114.2	C59 S64	C59-C62 VanDerWaalsContact SG-SG 3.67Å; C62-S64 PolarHBondContact O-N 3.11Å; C62-S64 PolarHBondContact SG-OG 3.23Å
63	R	90.7	Very high	86.1	Confident	207 Å²	207	73 Å²	73	78%	0.781	37%	0.365	S	S	*	.			trans	60.3	7.7	-178.1	-55	-178.7	178.8	-175.7	-0.5	115.5	C59	C59-R63 WeakPolarHBondContact O-CA 3.22Å; C59-R63 PolarHBondContact O-N 3.17Å
64	S	88.7	Confident	87.3	Confident	50 Å²	50	69.6 Å²	69.6	35%	0.35	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.6	153	171.1	77.3	0	0	0	0	110.9	R58 C59 C62	R58-S64 CarbonylContact C-O 3.51Å; R58-S64 WeakPolarHBondContact CA-O 3.45Å; C59-S64 PolarHBondContact N-O 3.35Å; C62-S64 PolarHBondContact O-N 3.11Å; C62-S64 PolarHBondContact SG-OG 3.23Å
65	F	88.2	Confident	88.3	Confident	63 Å²	63	71.4 Å²	71.4	28%	0.276	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-62.8	139.4	173.1	-71.7	-75.8	0	0	0	111	P50 R58	P50-F65 WeakPolarHBondContact O-CD1 3.11Å; P50-F65 WeakPolarHBondContact O-CE1 3.31Å; R58-F65 HydrophobicContact CG-CD1 4.05Å; R58-F65 HydrophobicContact CG-CE1 4.01Å
66	V	88.8	Confident	89	Confident	5 Å²	5	72 Å²	72	3%	0.03	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-97.1	132.5	177.4	-176.7	0	0	0	0	109.3	F56 N57 C59 C74	F56-V66 WeakPolarHBondContact CD1-O 3.46Å; N57-V66 WeakPolarHBondContact O-CB 3.41Å; N57-V66 VanDerWaalsContact O-CG2 3.22Å; N57-V66 WeakPolarHBondContact O-CG2 3.34Å; N57-V66 PolarHBondContact O-N 3.04Å; C59-V66 HydrophobicContact CB-CG2 4.01Å; V66-C74 HydrophobicContact CG2-CB 4.47Å
67	H	83.1	Confident	89.5	Confident	142 Å²	142	71.8 Å²	71.8	66%	0.657	35%	0.35	S	S	*	.	S	Bend	trans	-81	-17	-176.2	-62.7	-70.3	0	0	0	114.4	Y48 F56	Y48-H67 AromaticContact CE2-ND1 3.94Å; Y48-H67 AromaticContact CZ-ND1 3.49Å; Y48-H67 PolarHBondContact OH-ND1 3.15Å; F56-H67 WeakPolarHBondContact CE1-O 3.17Å
68	Q	82.1	Confident	89.7	Confident	91 Å²	91	69.2 Å²	69.2	43%	0.425	34%	0.336	S	S	.	.	S	Bend	trans	-104.7	128.6	-178.7	-67.5	-171.5	-14	0	0	110.8	S71	Q68-S71 WeakPolarHBondContact O-CB 3.04Å; Q68-S71 PolarHBondContact O-N 2.97Å
69	V	83.4	Confident	89.8	Confident	93 Å²	93	67.4 Å²	67.4	56%	0.564	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.7	175.3	-177.8	0	0	0	0	109.7	F56 S71	F56-V69 HydrophobicContact CD1-CG2 4.26Å; F56-V69 HydrophobicContact CE1-CG2 3.57Å; F56-V69 HydrophobicContact CZ-CG2 3.83Å; V69-S71 PolarHBondContact O-N 3.42Å
70	G	86.1	Confident	89.6	Confident	43 Å²	43	71.9 Å²	71.9	44%	0.443	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	3.9	-179.5	0	0	0	0	0	115.2
71	S	90	Very high	89.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	34%	0.344	C	S	.	.			trans	-90	139	173.1	-66.7	0	0	0	0	111.3	Q68 V69	Q68-S71 WeakPolarHBondContact O-CB 3.04Å; Q68-S71 PolarHBondContact O-N 2.97Å; V69-S71 PolarHBondContact O-N 3.42Å
72	H	92.2	Very high	89.3	Confident	54 Å²	54	66.4 Å²	66.4	25%	0.25	33%	0.329	C	S	.	.	S	Bend	trans	-104	-10.6	179	-67.1	-52.3	0	0	0	113.1	C59 R60 A85 M86	C59-H72 WeakPolarHBondContact CA-O 3.38Å; R60-H72 HydrophobicContact CG-CB 4.45Å; R60-H72 PolarHBondContact N-O 3.2Å; R60-H72 PolarHBondContact NH2-CE1 3.21Å; R60-H72 PolarHBondContact NH2-NE2 3.08Å; H72-A85 PolarHBondContact N-O 3.35Å; H72-M86 PolarHBondContact CD2-O 3.02Å
73	Y	94.1	Very high	89.3	Confident	41 Å²	41	64.2 Å²	64.2	16%	0.161	31%	0.312	C	S	.	.	S	Bend	trans	-128.6	140.3	177.7	-51.7	-82.8	0	0	0	110.2	R60 I61 I83 A85 G88	R60-Y73 HydrophobicContact CB-CD1 4.3Å; R60-Y73 HydrophobicContact CB-CE1 3.85Å; I61-Y73 HydrophobicContact CD1-CD1 3.49Å; I61-Y73 VanDerWaalsContact CD1-CD1 3.49Å; I61-Y73 HydrophobicContact CD1-CE1 3.82Å; I61-Y73 HydrophobicContact CG1-CD1 3.82Å; I61-Y73 HydrophobicContact CG1-CE1 3.92Å; Y73-I83 HydrophobicContact CD1-CD1 3.93Å; Y73-I83 HydrophobicContact CD2-CD1 4.07Å; Y73-I83 HydrophobicContact CE1-CD1 4.09Å; Y73-I83 HydrophobicContact CE2-CD1 4.26Å; Y73-I83 HydrophobicContact CG-CD1 3.9Å; Y73-A85 PolarHBondContact N-O 3.08Å; Y73-G88 VanDerWaalsContact CE2-CA 3.49Å
74	C	92.1	Very high	89.5	Confident	12 Å²	12	54.4 Å²	54.4	8%	0.081	28%	0.275	C	S	.	.			trans	-68.9	162.3	174.5	71.4	0	0	0	0	110.4	C59 V66 N76 C77 S78	C59-C74 HydrophobicContact CB-CB 4.03Å; C59-C74 PolarHBondContact SG-N 3.08Å; C59-C74 VanDerWaalsContact SG-N 3.36Å; V66-C74 HydrophobicContact CG2-CB 4.47Å; C74-N76 VanDerWaalsContact C-N 3.27Å; C74-N76 PolarHBondContact O-N 2.69Å; C74-C77 PolarHBondContact O-N 3.14Å; C74-C77 PolarHBondContact SG-N 3.17Å; C74-C77 VanDerWaalsContact SG-N 3.35Å; C74-S78 VanDerWaalsContact O-CB 3.3Å; C74-S78 WeakPolarHBondContact O-CB 3.33Å; C74-S78 PolarHBondContact O-N 3.12Å; C74-S78 PolarHBondContact O-OG 3.24Å
75	Q	90	Very high	89.7	Confident	148 Å²	148	52.2 Å²	52.2	69%	0.692	26%	0.26	S	S	*	.	H	α-helix	trans	-52.3	-48.9	178.7	-177.2	-161.5	-6.3	0	0	111	S78 Y79	Q75-S78 PolarHBondContact O-N 2.92Å; Q75-S78 PolarHBondContact O-OG 3.48Å; Q75-Y79 WeakPolarHBondContact O-CB 3.22Å; Q75-Y79 PolarHBondContact O-N 3.05Å
76	N	90.4	Very high	89.9	Confident	77 Å²	77	50 Å²	50	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-51.9	-175.6	-63.4	-4.4	0	0	0	112	C74 S78 Y79 Q80	C74-N76 VanDerWaalsContact C-N 3.27Å; C74-N76 PolarHBondContact O-N 2.69Å; N76-S78 VanDerWaalsContact C-N 3.33Å; N76-S78 PolarHBondContact O-N 3.2Å; N76-Y79 PolarHBondContact O-N 3.09Å; N76-Q80 WeakPolarHBondContact O-CB 3.5Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 2.91Å
77	C	91.5	Very high	90.1	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-35.3	178.5	-66.4	0	0	0	0	112.5	I61 C74 Y79 K81	I61-C77 HydrophobicContact CB-CB 4.24Å; I61-C77 HydrophobicContact CD1-CB 3.75Å; I61-C77 HydrophobicContact CG2-CB 4.49Å; C74-C77 PolarHBondContact O-N 3.14Å; C74-C77 PolarHBondContact SG-N 3.17Å; C74-C77 VanDerWaalsContact SG-N 3.35Å; C77-Y79 VanDerWaalsContact C-N 3.3Å; C77-K81 WeakPolarHBondContact O-CB 3.31Å; C77-K81 PolarHBondContact O-N 2.91Å
78	S	91.9	Very high	90.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-40.3	176.2	78.2	0	0	0	0	111.3	M1 C74 Q75 N76 G82 I83	M1-S78 WeakPolarHBondContact CE-O 3.32Å; M1-S78 PolarHBondContact N-OG 3.09Å; C74-S78 VanDerWaalsContact O-CB 3.3Å; C74-S78 WeakPolarHBondContact O-CB 3.33Å; C74-S78 PolarHBondContact O-N 3.12Å; C74-S78 PolarHBondContact O-OG 3.24Å; Q75-S78 PolarHBondContact O-N 2.92Å; Q75-S78 PolarHBondContact O-OG 3.48Å; N76-S78 VanDerWaalsContact C-N 3.33Å; N76-S78 PolarHBondContact O-N 3.2Å; S78-G82 PolarHBondContact O-N 3.48Å; S78-I83 WeakPolarHBondContact CB-O 2.96Å; S78-I83 PolarHBondContact O-N 3.11Å; S78-I83 VanDerWaalsContact O-O 3.13Å
79	Y	89.4	Confident	91	Very high	92 Å²	92	48.7 Å²	48.7	36%	0.361	25%	0.254	S	S	.	.	H	α-helix	trans	-68.6	-61.7	178.9	-171.5	-117.6	0	0	0	110.4	M1 Q75 N76 C77 K81 G82 Q99	M1-Y79 HydrophobicContact CG-CD2 4.17Å; M1-Y79 HydrophobicContact SD-CD2 3.79Å; M1-Y79 HydrophobicContact SD-CE2 4.4Å; Q75-Y79 WeakPolarHBondContact O-CB 3.22Å; Q75-Y79 PolarHBondContact O-N 3.05Å; N76-Y79 PolarHBondContact O-N 3.09Å; C77-Y79 VanDerWaalsContact C-N 3.3Å; Y79-K81 PolarHBondContact O-N 3.07Å; Y79-G82 PolarHBondContact O-N 3.16Å; Y79-Q99 VanDerWaalsContact C-OE1 3.22Å; Y79-Q99 HydrophobicContact CD1-CB 3.85Å; Y79-Q99 HydrophobicContact CD1-CG 4.28Å; Y79-Q99 HydrophobicContact CE1-CB 3.44Å; Y79-Q99 VanDerWaalsContact CE1-CB 3.44Å; Y79-Q99 HydrophobicContact CE1-CG 3.62Å; Y79-Q99 HydrophobicContact CE2-CG 4.32Å; Y79-Q99 VanDerWaalsContact CZ-CD 3.4Å; Y79-Q99 PolarHBondContact O-OE1 3.5Å
80	Q	88.2	Confident	91.4	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-52.6	-35.7	-177.1	-71.2	173.5	-11.4	0	0	114.4	N76 T94 T101	N76-Q80 WeakPolarHBondContact O-CB 3.5Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 2.91Å; Q80-T94 PolarHBondContact O-OG1 2.73Å; Q80-T101 PolarHBondContact NE2-OG1 3.08Å; Q80-T101 VanDerWaalsContact NE2-OG1 3.09Å
81	K	89.7	Confident	91.6	Very high	106 Å²	106	53.7 Å²	53.7	46%	0.461	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.8	179.5	-63.8	-163.8	180	-173.3	0	114.3	I61 C77 Y79 I83	I61-K81 HydrophobicContact CD1-CD 3.65Å; C77-K81 WeakPolarHBondContact O-CB 3.31Å; C77-K81 PolarHBondContact O-N 2.91Å; Y79-K81 PolarHBondContact O-N 3.07Å; K81-I83 HydrophobicContact CB-CD1 4.27Å; K81-I83 HydrophobicContact CB-CG1 4.13Å; K81-I83 HydrophobicContact CB-CG2 4.07Å
82	G	91.1	Very high	91.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	30.9	-176.5	0	0	0	0	0	113.4	S78 Y79 M91 L92	S78-G82 PolarHBondContact O-N 3.48Å; Y79-G82 PolarHBondContact O-N 3.16Å; G82-M91 PolarHBondContact O-N 2.85Å; G82-L92 PolarHBondContact O-N 3.18Å
83	I	93.1	Very high	90.9	Very high	20 Å²	20	60 Å²	60	10%	0.103	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-112.6	156	-174	65.1	176.4	0	0	0	112.5	I61 Y73 S78 K81 K89	I61-I83 HydrophobicContact CD1-CD1 4.1Å; Y73-I83 HydrophobicContact CD1-CD1 3.93Å; Y73-I83 HydrophobicContact CD2-CD1 4.07Å; Y73-I83 HydrophobicContact CE1-CD1 4.09Å; Y73-I83 HydrophobicContact CE2-CD1 4.26Å; Y73-I83 HydrophobicContact CG-CD1 3.9Å; S78-I83 WeakPolarHBondContact CB-O 2.96Å; S78-I83 PolarHBondContact O-N 3.11Å; S78-I83 VanDerWaalsContact O-O 3.13Å; K81-I83 HydrophobicContact CB-CD1 4.27Å; K81-I83 HydrophobicContact CB-CG1 4.13Å; K81-I83 HydrophobicContact CB-CG2 4.07Å; I83-K89 CarbonylContact C-O 3.6Å; I83-K89 WeakPolarHBondContact CA-O 3.3Å
84	C	94.5	Very high	90.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.296	C	S	.	.			trans	-68.7	128.9	170	179.9	0	0	0	0	111	M1 C3 M86 C87 G88 K89 M91	M1-C84 CarbonylContact O-C 3.47Å; M1-C84 WeakPolarHBondContact O-CA 3.48Å; C3-C84 HydrophobicContact CB-CB 4.15Å; C3-C84 PolarHBondContact N-SG 3.19Å; C84-M86 PolarHBondContact O-N 2.95Å; C84-C87 VanDerWaalsContact CB-SG 3.5Å; C84-C87 PolarHBondContact SG-SG 3.02Å; C84-G88 VanDerWaalsContact O-CA 3.26Å; C84-G88 WeakPolarHBondContact O-CA 3.43Å; C84-G88 PolarHBondContact O-N 3.01Å; C84-K89 PolarHBondContact N-O 2.92Å; C84-M91 HydrophobicContact CB-CG 4.44Å
85	A	93	Very high	89.7	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.033	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.3	180	0	0	0	0	0	113.4	M1 H72 Y73	M1-A85 WeakPolarHBondContact O-CB 3.45Å; M1-A85 PolarHBondContact O-N 3.39Å; H72-A85 PolarHBondContact N-O 3.35Å; Y73-A85 PolarHBondContact N-O 3.08Å
86	M	92.5	Very high	89.1	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.079	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-57.9	178.5	-67.8	-176.3	179.2	0	0	112.1	V2 C6 K9 L10 H72 C84	V2-M86 HydrophobicContact CG1-CG 4.45Å; V2-M86 HydrophobicContact CG1-SD 4.03Å; C6-M86 HydrophobicContact CB-CB 4.12Å; C6-M86 HydrophobicContact CB-SD 3.83Å; K9-M86 HydrophobicContact CB-SD 4.25Å; L10-M86 HydrophobicContact CD1-CE 3.7Å; H72-M86 PolarHBondContact CD2-O 3.02Å; C84-M86 PolarHBondContact O-N 2.95Å
87	C	92.9	Very high	88.3	Confident	56 Å²	56	71.6 Å²	71.6	38%	0.378	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-8.7	-170.9	64.6	0	0	0	0	115.3	C6 C84 K89	C6-C87 VanDerWaalsContact SG-SG 3.7Å; C84-C87 VanDerWaalsContact CB-SG 3.5Å; C84-C87 PolarHBondContact SG-SG 3.02Å; C87-K89 HydrophobicContact CB-CG 4.48Å; C87-K89 PolarHBondContact O-N 3.28Å; C87-K89 VanDerWaalsContact SG-CG 3.56Å
88	G	91.9	Very high	87.3	Confident	21 Å²	21	82.3 Å²	82.3	22%	0.216	38%	0.383	C	S	.	.			trans	75	-1.6	-178.8	0	0	0	0	0	115.5	Y73 C84 K90	Y73-G88 VanDerWaalsContact CE2-CA 3.49Å; C84-G88 VanDerWaalsContact O-CA 3.26Å; C84-G88 WeakPolarHBondContact O-CA 3.43Å; C84-G88 PolarHBondContact O-N 3.01Å; G88-K90 PolarHBondContact O-N 3.47Å
89	K	93.7	Very high	86.1	Confident	134 Å²	134	83.8 Å²	83.8	58%	0.583	39%	0.39	S	S	*	.			trans	-56.9	134.1	174.9	-69.6	-176.4	-179.5	-166.7	0	110.5	I83 C84 C87 M91	I83-K89 CarbonylContact C-O 3.6Å; I83-K89 WeakPolarHBondContact CA-O 3.3Å; C84-K89 PolarHBondContact N-O 2.92Å; C87-K89 HydrophobicContact CB-CG 4.48Å; C87-K89 PolarHBondContact O-N 3.28Å; C87-K89 VanDerWaalsContact SG-CG 3.56Å; K89-M91 PolarHBondContact O-N 2.65Å
90	K	91.9	Very high	84.9	Confident	138 Å²	138	82.9 Å²	82.9	60%	0.6	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-71.7	124.1	174.9	-163.8	175.5	-169.9	-178.5	0	109.1	G88 L92 L93	G88-K90 PolarHBondContact O-N 3.47Å; K90-L92 WeakPolarHBondContact CE-O 3.2Å; K90-L93 HydrophobicContact CD-CD2 4.45Å
91	M	89.1	Confident	83.6	Confident	104 Å²	104	81.5 Å²	81.5	51%	0.512	40%	0.395	S	S	.	.			trans	-109.9	-26.3	-178.2	-61.7	-58.7	-61.3	0	0	112	C3 G82 C84 K89	C3-M91 HydrophobicContact CB-CE 3.67Å; C3-M91 HydrophobicContact CB-CG 4.18Å; C3-M91 HydrophobicContact CB-SD 3.32Å; C3-M91 WeakPolarHBondContact CB-SD 3.35Å; G82-M91 PolarHBondContact O-N 2.85Å; C84-M91 HydrophobicContact CB-CG 4.44Å; K89-M91 PolarHBondContact O-N 2.65Å
92	L	84.6	Confident	81.9	Confident	59 Å²	59	86 Å²	86	31%	0.309	43%	0.431	S	S	.	.	S	Bend	trans	-140.8	144.8	-174.7	-166.7	124.5	0	0	0	110.7	G82 K90 T94 Y97	G82-L92 PolarHBondContact O-N 3.18Å; K90-L92 WeakPolarHBondContact CE-O 3.2Å; L92-T94 HydrophobicContact CD2-CG2 3.83Å; L92-Y97 HydrophobicContact CD2-CD2 3.92Å; L92-Y97 HydrophobicContact CD2-CE2 4.42Å; L92-Y97 HydrophobicContact CD2-CG 4.14Å
93	L	83.7	Confident	81.4	Confident	127 Å²	127	90.3 Å²	90.3	67%	0.665	45%	0.452	S	S	*	.			trans	-86.4	106.2	170.4	-63.5	179.1	0	0	0	108.9	K90 K95	K90-L93 HydrophobicContact CD-CD2 4.45Å; L93-K95 VanDerWaalsContact C-N 3.28Å; L93-K95 PolarHBondContact O-N 3.36Å
94	T	80.4	Confident	80.8	Confident	35 Å²	35	93.9 Å²	93.9	22%	0.215	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-83.8	2.8	-176.5	51.6	0	0	0	0	114.4	Q80 L92 N96 Y97	Q80-T94 PolarHBondContact O-OG1 2.73Å; L92-T94 HydrophobicContact CD2-CG2 3.83Å; T94-N96 VanDerWaalsContact C-N 3.26Å; T94-N96 PolarHBondContact O-N 3.25Å; T94-Y97 CarbonylContact O-C 3.6Å; T94-Y97 PolarHBondContact O-N 3.41Å; T94-Y97 VanDerWaalsContact O-N 3.09Å; T94-Y97 VanDerWaalsContact O-O 3.12Å
95	K	79.7	Confident	80	Confident	195 Å²	195	99.2 Å²	99.2	85%	0.848	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55.1	-40.2	-175.5	-169.6	-180	179.1	-175.9	0	112.8	L93	L93-K95 VanDerWaalsContact C-N 3.28Å; L93-K95 PolarHBondContact O-N 3.36Å
96	N	78.7	Confident	79.3	Confident	148 Å²	148	104.8 Å²	104.8	79%	0.791	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-106.2	1.1	-179.4	-59.7	-9	0	0	0	112.7	T94	T94-N96 VanDerWaalsContact C-N 3.26Å; T94-N96 PolarHBondContact O-N 3.25Å
97	Y	73.6	Confident	78.4	Confident	144 Å²	144	110.3 Å²	110.3	57%	0.565	55%	0.552	S	S	*	*			trans	-103.8	94.4	177.2	-79.2	-90.4	0	0	0	108.2	L92 T94 Q99	L92-Y97 HydrophobicContact CD2-CD2 3.92Å; L92-Y97 HydrophobicContact CD2-CE2 4.42Å; L92-Y97 HydrophobicContact CD2-CG 4.14Å; T94-Y97 CarbonylContact O-C 3.6Å; T94-Y97 PolarHBondContact O-N 3.41Å; T94-Y97 VanDerWaalsContact O-N 3.09Å; T94-Y97 VanDerWaalsContact O-O 3.12Å; Y97-Q99 PolarHBondContact O-N 3.34Å
98	R	68.7	Low	77.5	Confident	236 Å²	236	113.9 Å²	113.9	89%	0.891	56%	0.564	S	S	*	*			trans	-70.4	85.3	170.2	-170.5	-175.9	-179.2	-160.1	0.2	109	S100	R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.77Å; R98-S100 VanDerWaalsContact O-N 3.16Å
99	Q	67.5	Low	76.4	Confident	30 Å²	30	120.6 Å²	120.6	14%	0.14	59%	0.589	C	S	.	*			trans	-86.6	74.7	176.8	-72.2	-178.2	-0.5	0	0	109.2	Y79 Y97	Y79-Q99 VanDerWaalsContact C-OE1 3.22Å; Y79-Q99 HydrophobicContact CD1-CB 3.85Å; Y79-Q99 HydrophobicContact CD1-CG 4.28Å; Y79-Q99 HydrophobicContact CE1-CB 3.44Å; Y79-Q99 VanDerWaalsContact CE1-CB 3.44Å; Y79-Q99 HydrophobicContact CE1-CG 3.62Å; Y79-Q99 HydrophobicContact CE2-CG 4.32Å; Y79-Q99 VanDerWaalsContact CZ-CD 3.4Å; Y79-Q99 PolarHBondContact O-OE1 3.5Å; Y97-Q99 PolarHBondContact O-N 3.34Å
100	S	64.5	Low	75.1	Confident	74 Å²	74	119.5 Å²	119.5	52%	0.517	59%	0.589	S	S	.	*			trans	-70.4	137.4	165.8	49.7	0	0	0	0	109.3	R98	R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.77Å; R98-S100 VanDerWaalsContact O-N 3.16Å
101	T	60.2	Low	73.7	Confident	65 Å²	65	118 Å²	118	40%	0.399	59%	0.588	S	S	.	*			trans	-97.3	7.5	172.6	-8.3	0	0	0	0	112.7	Q80	Q80-T101 PolarHBondContact NE2-OG1 3.08Å; Q80-T101 VanDerWaalsContact NE2-OG1 3.09Å
102	V	54	Low	72.3	Confident	199 Å²	199	119.3 Å²	119.3	100%	1.206	60%	0.595	S	S	*	*			trans	-60.8	0	-176.7	-174.2	0	0	0	0	109.9

Retrieved 102 of 102 residues in 62.7 ms (Link to these results)

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