A0A060XRC2_ONCMY Loading...

Cysteine-rich PDZ-binding protein

AlphaFold DB , UniProt , Accession A0A060XRC2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110498970, Length 107 aa.

						>A0A060XRC2_ONCMY|A0A060XRC2|LOC110498970
MVCDNCEKKLGRVITPDTWKDGARNTTESGGRKLNENKALTSKKARFDPYGKPGKSGKSGFGICRICKSSVHQSGSHYCQGCAYKKGICAMCGKKVLDTKNYKQTSV
					

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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	83.1	Confident	85.1	Confident	49 Å²	49	79.6 Å²	79.6	24%	0.241	42%	0.421	C	S	.	.				0	109.8	0	-165.1	162.5	-153.7	0	0	107.5	A83 C89 A90 V96 L97	M1-A83 HydrophobicContact CB-CB 4.41Å; M1-C89 CarbonylContact O-C 3.56Å; M1-C89 WeakPolarHBondContact O-CA 3.26Å; M1-A90 PolarHBondContact O-N 2.7Å; M1-V96 HydrophobicContact CE-CB 3.78Å; M1-V96 HydrophobicContact CE-CG1 3.63Å; M1-V96 HydrophobicContact CG-CB 4.18Å; M1-V96 HydrophobicContact CG-CG1 4.23Å; M1-V96 HydrophobicContact CG-CG2 4.42Å; M1-V96 HydrophobicContact SD-CB 4.17Å; M1-V96 HydrophobicContact SD-CG1 4.48Å; M1-L97 HydrophobicContact CE-CB 3.65Å
2	V	89.2	Confident	83	Confident	32 Å²	32	94.2 Å²	94.2	19%	0.194	47%	0.466	C	S	.	.			trans	-122.2	150	177.5	-176	0	0	0	0	106.5	C6 E7 L10 M91	V2-C6 HydrophobicContact CG1-CB 3.39Å; V2-E7 HydrophobicContact CG1-CG 4.32Å; V2-L10 HydrophobicContact CB-CD1 4.35Å; V2-L10 HydrophobicContact CG1-CD1 4.12Å; V2-L10 HydrophobicContact CG1-CG 4.48Å; V2-L10 HydrophobicContact CG2-CD1 4.32Å; V2-M91 HydrophobicContact CG1-CG 4.35Å; V2-M91 HydrophobicContact CG2-CG 4.49Å
3	C	91.4	Very high	81	Confident	2 Å²	2	93.8 Å²	93.8	1%	0.014	47%	0.472	C	S	.	.			trans	-101.5	161.8	179.2	73.2	0	0	0	0	112	N5 C6 E7 C89 K94 V96	C3-N5 PolarHBondContact O-N 2.98Å; C3-C6 CarbonylContact O-C 3.43Å; C3-C6 WeakPolarHBondContact O-CA 3.43Å; C3-C6 WeakPolarHBondContact O-CB 3.48Å; C3-C6 PolarHBondContact O-N 3.48Å; C3-E7 PolarHBondContact O-N 3.11Å; C3-C89 HydrophobicContact CB-CB 4.36Å; C3-K94 HydrophobicContact CB-CD 3.86Å; C3-K94 HydrophobicContact CB-CG 4.26Å; C3-K94 VanDerWaalsContact CB-NZ 3.25Å; C3-K94 WeakPolarHBondContact SG-CD 3.17Å; C3-K94 WeakPolarHBondContact SG-CE 3.4Å; C3-K94 PolarHBondContact SG-NZ 3.04Å; C3-K94 VanDerWaalsContact SG-NZ 3.35Å; C3-V96 HydrophobicContact CB-CG2 4.08Å
4	D	90.3	Very high	79.1	Confident	108 Å²	108	99.8 Å²	99.8	58%	0.578	50%	0.503	S	S	*	.	H	α-helix	trans	-50.8	-39.1	-175	-34.6	-31.3	0	0	0	113.6	C6 E7	D4-C6 VanDerWaalsContact C-N 3.3Å; D4-C6 PolarHBondContact O-N 3.35Å; D4-E7 PolarHBondContact O-N 3.16Å
5	N	89.8	Confident	77.5	Confident	106 Å²	106	99 Å²	99	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-67.4	-31.2	177.1	-66.6	-15.8	0	0	0	113.1	C3	C3-N5 PolarHBondContact O-N 2.98Å
6	C	89.7	Confident	76.1	Confident	4 Å²	4	97.9 Å²	97.9	3%	0.027	51%	0.507	C	S	.	.	H	α-helix	trans	-92.7	-18.4	178.5	-71.2	0	0	0	0	112.8	V2 C3 D4 K8 K9 L10 M91	V2-C6 HydrophobicContact CG1-CB 3.39Å; C3-C6 CarbonylContact O-C 3.43Å; C3-C6 WeakPolarHBondContact O-CA 3.43Å; C3-C6 WeakPolarHBondContact O-CB 3.48Å; C3-C6 PolarHBondContact O-N 3.48Å; D4-C6 VanDerWaalsContact C-N 3.3Å; D4-C6 PolarHBondContact O-N 3.35Å; C6-K8 PolarHBondContact O-N 3.42Å; C6-K9 WeakPolarHBondContact O-CA 3.46Å; C6-K9 WeakPolarHBondContact O-CB 3.48Å; C6-K9 PolarHBondContact O-N 3.41Å; C6-L10 PolarHBondContact O-N 2.74Å; C6-M91 HydrophobicContact CB-CB 3.98Å; C6-M91 HydrophobicContact CB-CG 4.34Å
7	E	87.3	Confident	74.8	Confident	110 Å²	110	96 Å²	96	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-38.9	172.3	-73.1	-177.8	167.5	0	0	111.1	V2 C3 D4 K9 L10	V2-E7 HydrophobicContact CG1-CG 4.32Å; C3-E7 PolarHBondContact O-N 3.11Å; D4-E7 PolarHBondContact O-N 3.16Å; E7-K9 PolarHBondContact O-N 2.79Å; E7-K9 VanDerWaalsContact O-N 3.11Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.42Å
8	K	86.1	Confident	73.7	Confident	182 Å²	182	92.9 Å²	92.9	79%	0.791	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.1	173.2	-60.2	179.4	-175.5	178.7	0	113.8	C6	C6-K8 PolarHBondContact O-N 3.42Å
9	K	82.3	Confident	72.6	Confident	151 Å²	151	97.7 Å²	97.7	66%	0.657	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.9	178.7	-56.9	-177.4	-178	-175.1	0	112.5	C6 E7 M91	C6-K9 WeakPolarHBondContact O-CA 3.46Å; C6-K9 WeakPolarHBondContact O-CB 3.48Å; C6-K9 PolarHBondContact O-N 3.41Å; E7-K9 PolarHBondContact O-N 2.79Å; E7-K9 VanDerWaalsContact O-N 3.11Å; K9-M91 HydrophobicContact CB-CE 3.6Å
10	L	77.4	Confident	71.6	Confident	62 Å²	62	97.7 Å²	97.7	33%	0.325	49%	0.491	S	S	.	.	S	Bend	trans	-73.4	139.1	175.5	-66.3	171	0	0	0	109.2	V2 C6 E7 M91	V2-L10 HydrophobicContact CB-CD1 4.35Å; V2-L10 HydrophobicContact CG1-CD1 4.12Å; V2-L10 HydrophobicContact CG1-CG 4.48Å; V2-L10 HydrophobicContact CG2-CD1 4.32Å; C6-L10 PolarHBondContact O-N 2.74Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.42Å; L10-M91 HydrophobicContact CD2-CE 4.25Å
11	G	69.5	Low	70.8	Confident	70 Å²	70	98.6 Å²	98.6	72%	0.722	50%	0.498	S	S	*	.			trans	-66.2	140.4	167.8	0	0	0	0	0	109.9	V13	G11-V13 PolarHBondContact O-N 3.05Å
12	R	60.5	Low	69.3	Low	254 Å²	254	97.8 Å²	97.8	96%	0.958	50%	0.502	S	S	*	.	S	Bend	trans	-71.5	-8.2	177.2	-68.5	-176.9	-179.8	173	-0.4	113.7
13	V	56.4	Low	67.6	Low	90 Å²	90	97.1 Å²	97.1	55%	0.545	50%	0.5	S	S	.	.	S	Bend	trans	-108.5	126.9	-175.5	-164	0	0	0	0	109.6	G11 T15	G11-V13 PolarHBondContact O-N 3.05Å; V13-T15 WeakPolarHBondContact CG1-O 3.33Å; V13-T15 PolarHBondContact O-N 2.85Å
14	I	54.3	Low	65.8	Low	177 Å²	177	106.9 Å²	106.9	91%	0.908	54%	0.536	S	S	*	.	S	Bend	trans	-54.1	-41.4	-178.6	-65.2	165	0	0	0	111.3
15	T	55.8	Low	63.9	Low	88 Å²	88	109.2 Å²	109.2	54%	0.54	55%	0.549	S	S	.	.	S	Bend	trans	-110.2	109.8	165.4	48.3	0	0	0	0	106.6	V13 D17	V13-T15 WeakPolarHBondContact CG1-O 3.33Å; V13-T15 PolarHBondContact O-N 2.85Å; T15-D17 VanDerWaalsContact C-N 3.3Å; T15-D17 PolarHBondContact O-N 2.73Å
16	P	54.9	Low	62	Low	81 Å²	81	106.8 Å²	106.8	53%	0.526	54%	0.538	S	S	.	.			trans	-55.3	108.3	163.4	23.2	-29.6	0	0	0	105.3	T18	P16-T18 HydrophobicContact CB-CG2 4.06Å; P16-T18 HydrophobicContact CG-CG2 4.45Å; P16-T18 WeakPolarHBondContact O-CG2 3.36Å; P16-T18 PolarHBondContact O-N 3.22Å
17	D	52.9	Low	60.2	Low	66 Å²	66	113.9 Å²	113.9	35%	0.353	58%	0.581	S	S	.	*			trans	-75.9	65.8	-172.9	-143.2	19.6	0	0	0	106	T15 W19 K20	T15-D17 VanDerWaalsContact C-N 3.3Å; T15-D17 PolarHBondContact O-N 2.73Å; D17-W19 PolarHBondContact O-N 2.91Å; D17-W19 PolarHBondContact OD1-NE1 3.05Å; D17-W19 PolarHBondContact OD2-NE1 2.99Å; D17-K20 HydrophobicContact CB-CG 4.5Å; D17-K20 WeakPolarHBondContact O-CB 3.46Å; D17-K20 PolarHBondContact O-N 3.44Å; D17-K20 VanDerWaalsContact OD2-CD 3.31Å; D17-K20 WeakPolarHBondContact OD2-CD 3.21Å; D17-K20 WeakPolarHBondContact OD2-CE 3.49Å; D17-K20 IonicContact OD2-NZ 2.7Å; D17-K20 PolarHBondContact OD2-NZ 2.87Å
18	T	55.7	Low	58.5	Low	40 Å²	40	116.9 Å²	116.9	25%	0.245	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-13.4	-172.4	57.9	0	0	0	0	111.4	P16 K20 F47	P16-T18 HydrophobicContact CB-CG2 4.06Å; P16-T18 HydrophobicContact CG-CG2 4.45Å; P16-T18 WeakPolarHBondContact O-CG2 3.36Å; P16-T18 PolarHBondContact O-N 3.22Å; T18-K20 VanDerWaalsContact C-N 3.3Å; T18-F47 HydrophobicContact CG2-CB 4.34Å; T18-F47 HydrophobicContact CG2-CD2 3.5Å; T18-F47 HydrophobicContact CG2-CE2 4.05Å; T18-F47 HydrophobicContact CG2-CG 4.06Å; T18-F47 VanDerWaalsContact OG1-CB 3.29Å; T18-F47 WeakPolarHBondContact OG1-CB 3.37Å; T18-F47 VanDerWaalsContact OG1-CG 3.26Å; T18-F47 WeakPolarHBondContact OG1-CG 3.5Å
19	W	53.3	Low	56.9	Low	184 Å²	184	115 Å²	115	70%	0.697	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-24.1	170.5	94.6	-87	0	0	0	112.7	D17	D17-W19 PolarHBondContact O-N 2.91Å; D17-W19 PolarHBondContact OD1-NE1 3.05Å; D17-W19 PolarHBondContact OD2-NE1 2.99Å
20	K	52.4	Low	55.5	Low	98 Å²	98	109.2 Å²	109.2	43%	0.426	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-15.5	174.7	-68.7	-170.7	-178.7	165.5	0	113.8	D17 T18 G22 A23	D17-K20 HydrophobicContact CB-CG 4.5Å; D17-K20 WeakPolarHBondContact O-CB 3.46Å; D17-K20 PolarHBondContact O-N 3.44Å; D17-K20 VanDerWaalsContact OD2-CD 3.31Å; D17-K20 WeakPolarHBondContact OD2-CD 3.21Å; D17-K20 WeakPolarHBondContact OD2-CE 3.49Å; D17-K20 IonicContact OD2-NZ 2.7Å; D17-K20 PolarHBondContact OD2-NZ 2.87Å; T18-K20 VanDerWaalsContact C-N 3.3Å; K20-G22 PolarHBondContact O-N 2.8Å; K20-A23 HydrophobicContact CB-CB 4.4Å; K20-A23 WeakPolarHBondContact O-CB 3.37Å; K20-A23 PolarHBondContact O-N 3.25Å
21	D	54	Low	54.6	Low	117 Å²	117	108 Å²	108	63%	0.626	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	98.8	175.3	-125.9	-10.4	0	0	0	109
22	G	52.1	Low	54.2	Low	32 Å²	32	109.8 Å²	109.8	33%	0.33	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	91.2	13.7	-171.5	0	0	0	0	0	116.1	K20 R32	K20-G22 PolarHBondContact O-N 2.8Å; G22-R32 WeakPolarHBondContact O-CG 3.47Å; G22-R32 PolarHBondContact O-NE 3.04Å
23	A	53.6	Low	54.5	Low	18 Å²	18	105 Å²	105	15%	0.149	56%	0.561	C	S	.	*			trans	-60.4	146.8	172.9	0	0	0	0	0	112	K20 N25	K20-A23 HydrophobicContact CB-CB 4.4Å; K20-A23 WeakPolarHBondContact O-CB 3.37Å; K20-A23 PolarHBondContact O-N 3.25Å; A23-N25 PolarHBondContact O-N 2.9Å
24	R	53.2	Low	55.1	Low	207 Å²	207	108.2 Å²	108.2	78%	0.781	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-7.8	-178.3	-79.3	-180	156.8	127.8	-2.3	114	R32	R24-R32 VanDerWaalsContact CZ-NH1 3.32Å; R24-R32 VanDerWaalsContact NE-NH2 3.13Å
25	N	51.2	Low	56	Low	156 Å²	156	108.1 Å²	108.1	83%	0.834	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	23.5	-159.9	-143.1	7.8	0	0	0	114.4	A23	A23-N25 PolarHBondContact O-N 2.9Å
26	T	49	Very low	56.9	Low	55 Å²	55	107.1 Å²	107.1	34%	0.337	57%	0.566	S	S	.	*			trans	-128.7	119	177.5	52.2	0	0	0	0	111.1	G31	T26-G31 WeakPolarHBondContact O-CA 3.34Å
27	T	51.5	Low	58	Low	153 Å²	153	107.9 Å²	107.9	94%	0.939	57%	0.565	S	S	*	*			trans	-87.6	-9.2	178.3	27.7	0	0	0	0	113.8
28	E	51.8	Low	58.9	Low	173 Å²	173	109 Å²	109	81%	0.808	57%	0.567	S	S	*	*	S	Bend	trans	-105	123.1	176.1	-67.1	-165.3	163.4	0	0	111.9	G30	E28-G30 PolarHBondContact O-N 3.42Å
29	S	52.4	Low	59.7	Low	144 Å²	144	110.4 Å²	110.4	100%	1.007	58%	0.583	S	S	*	*	S	Bend	trans	40.7	7.1	163.9	-156.1	0	0	0	0	120.7
30	G	53.8	Low	60.5	Low	28 Å²	28	107.6 Å²	107.6	29%	0.289	58%	0.581	S	S	.	*	S	Bend	trans	-141.7	13.1	179.7	0	0	0	0	0	113.4	E28	E28-G30 PolarHBondContact O-N 3.42Å
31	G	58	Low	61.3	Low	37 Å²	37	104.6 Å²	104.6	38%	0.381	57%	0.571	S	S	.	*	S	Bend	trans	-69.5	165.7	177	0	0	0	0	0	112.7	T26 K33	T26-G31 WeakPolarHBondContact O-CA 3.34Å; G31-K33 PolarHBondContact O-N 3.12Å
32	R	61.4	Low	61.8	Low	107 Å²	107	101.9 Å²	101.9	40%	0.404	56%	0.561	S	S	.	*			trans	-57.3	124.9	175.6	-70.8	179.3	174.5	-164.6	-4.5	110.5	G22 R24 L34	G22-R32 WeakPolarHBondContact O-CG 3.47Å; G22-R32 PolarHBondContact O-NE 3.04Å; R24-R32 VanDerWaalsContact CZ-NH1 3.32Å; R24-R32 VanDerWaalsContact NE-NH2 3.13Å; R32-L34 PolarHBondContact O-N 3.39Å
33	K	67.8	Low	62.3	Low	153 Å²	153	108 Å²	108	67%	0.665	58%	0.578	S	S	*	*			trans	-55.1	115.3	166.4	-164.3	171.6	-176.1	177.6	0	109.3	G31 E36	G31-K33 PolarHBondContact O-N 3.12Å; K33-E36 HydrophobicContact CB-CB 4.4Å; K33-E36 HydrophobicContact CG-CB 4.47Å
34	L	68.2	Low	62.7	Low	158 Å²	158	114.2 Å²	114.2	83%	0.827	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	147.7	174.6	-64.4	174.3	0	0	0	109	R32	R32-L34 PolarHBondContact O-N 3.39Å
35	N	72.9	Confident	63.1	Low	176 Å²	176	107.4 Å²	107.4	94%	0.941	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.6	41.9	179	-156.6	11.6	0	0	0	115.1
36	E	74.8	Confident	63.7	Low	67 Å²	67	109.6 Å²	109.6	31%	0.313	59%	0.587	S	S	.	*			trans	-118.3	138.5	176.4	-172.2	-170.4	-153.3	0	0	111.5	K33 K38 T41	K33-E36 HydrophobicContact CB-CB 4.4Å; K33-E36 HydrophobicContact CG-CB 4.47Å; E36-K38 PolarHBondContact O-N 3Å; E36-K38 IonicContact OE2-NZ 3.4Å; E36-K38 PolarHBondContact OE2-NZ 3.2Å; E36-T41 HydrophobicContact CG-CG2 3.74Å; E36-T41 WeakPolarHBondContact OE1-CB 3.38Å; E36-T41 WeakPolarHBondContact OE1-CG2 3.3Å; E36-T41 PolarHBondContact OE1-OG1 2.93Å; E36-T41 PolarHBondContact OE2-OG1 3.11Å
37	N	78.1	Confident	64.5	Low	97 Å²	97	110.1 Å²	110.1	52%	0.519	58%	0.584	S	S	.	*			trans	-71.5	95.8	174	-173.1	-32.9	0	0	0	111.3	A39 L40 T41	N37-A39 VanDerWaalsContact C-N 3.27Å; N37-A39 PolarHBondContact O-N 2.95Å; N37-A39 WeakPolarHBondContact OD1-CB 3.39Å; N37-A39 PolarHBondContact OD1-N 3.48Å; N37-A39 VanDerWaalsContact OD1-N 3.08Å; N37-L40 HydrophobicContact CB-CD1 4.47Å; N37-L40 PolarHBondContact O-N 2.81Å; N37-L40 VanDerWaalsContact O-N 3.17Å; N37-L40 PolarHBondContact OD1-N 3.46Å; N37-T41 WeakPolarHBondContact O-CG2 3.32Å; N37-T41 PolarHBondContact O-N 2.92Å; N37-T41 VanDerWaalsContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 2.89Å
38	K	72.2	Confident	65.3	Low	88 Å²	88	105 Å²	105	38%	0.383	55%	0.551	S	S	.	*	H	α-helix	trans	-65.2	-21.9	-177.6	-66.1	-59.1	-176.4	-167.8	0	114.5	E36 L40 S42	E36-K38 PolarHBondContact O-N 3Å; E36-K38 IonicContact OE2-NZ 3.4Å; E36-K38 PolarHBondContact OE2-NZ 3.2Å; K38-L40 VanDerWaalsContact C-N 3.25Å; K38-L40 PolarHBondContact O-N 3.03Å; K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.32Å; K38-S42 PolarHBondContact O-OG 3.11Å
39	A	71.2	Confident	65.9	Low	71 Å²	71	100 Å²	100	59%	0.587	53%	0.534	S	S	*	.	H	α-helix	trans	-66.1	-33	175.7	0	0	0	0	0	111.7	N37	N37-A39 VanDerWaalsContact C-N 3.27Å; N37-A39 PolarHBondContact O-N 2.95Å; N37-A39 WeakPolarHBondContact OD1-CB 3.39Å; N37-A39 PolarHBondContact OD1-N 3.48Å; N37-A39 VanDerWaalsContact OD1-N 3.08Å
40	L	71.4	Confident	66.7	Low	125 Å²	125	103.2 Å²	103.2	65%	0.654	53%	0.525	S	S	*	.	H	α-helix	trans	-90.1	-30.1	179.8	-61.5	177.1	0	0	0	112.8	N37 K38	N37-L40 HydrophobicContact CB-CD1 4.47Å; N37-L40 PolarHBondContact O-N 2.81Å; N37-L40 VanDerWaalsContact O-N 3.17Å; N37-L40 PolarHBondContact OD1-N 3.46Å; K38-L40 VanDerWaalsContact C-N 3.25Å; K38-L40 PolarHBondContact O-N 3.03Å
41	T	68.7	Low	67.3	Low	34 Å²	34	102.3 Å²	102.3	21%	0.209	52%	0.516	C	S	.	.	H	α-helix	trans	-102.6	-24.3	-170.3	65.9	0	0	0	0	114.3	E36 N37 K43 K44	E36-T41 HydrophobicContact CG-CG2 3.74Å; E36-T41 WeakPolarHBondContact OE1-CB 3.38Å; E36-T41 WeakPolarHBondContact OE1-CG2 3.3Å; E36-T41 PolarHBondContact OE1-OG1 2.93Å; E36-T41 PolarHBondContact OE2-OG1 3.11Å; N37-T41 WeakPolarHBondContact O-CG2 3.32Å; N37-T41 PolarHBondContact O-N 2.92Å; N37-T41 VanDerWaalsContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 2.89Å; T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 2.85Å; T41-K44 PolarHBondContact O-N 3.26Å; T41-K44 VanDerWaalsContact O-N 3.15Å
42	S	64.7	Low	67.6	Low	60 Å²	60	107.6 Å²	107.6	42%	0.42	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-31.4	176.5	59.8	0	0	0	0	113.7	K38 K44 A45 R46	K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.32Å; K38-S42 PolarHBondContact O-OG 3.11Å; S42-K44 VanDerWaalsContact C-N 3.25Å; S42-K44 PolarHBondContact O-N 3.39Å; S42-A45 PolarHBondContact O-N 3.13Å; S42-R46 PolarHBondContact O-N 3.19Å
43	K	63.3	Low	67.5	Low	161 Å²	161	105.8 Å²	105.8	70%	0.7	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-26	178.6	-68.5	-177.4	-178.4	179	0	113	T41	T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 2.85Å
44	K	61.9	Low	67	Low	148 Å²	148	102.1 Å²	102.1	64%	0.643	54%	0.537	S	S	*	.	H	α-helix	trans	-83.4	-31.1	179.7	-64.8	-178.2	-179.5	179.8	0	112.6	T41 S42	T41-K44 PolarHBondContact O-N 3.26Å; T41-K44 VanDerWaalsContact O-N 3.15Å; S42-K44 VanDerWaalsContact C-N 3.25Å; S42-K44 PolarHBondContact O-N 3.39Å
45	A	61.1	Low	66	Low	64 Å²	64	102.4 Å²	102.4	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-85	-7.2	-178.5	0	0	0	0	0	113.8	S42 F47	S42-A45 PolarHBondContact O-N 3.13Å; A45-F47 PolarHBondContact O-N 2.86Å
46	R	64.1	Low	64.8	Low	202 Å²	202	98 Å²	98	76%	0.762	51%	0.514	S	S	*	.			trans	-78.3	110.5	-177.7	-160.1	170.9	-173.3	174.1	1.1	110.1	S42 D48	S42-R46 PolarHBondContact O-N 3.19Å; R46-D48 PolarHBondContact O-N 3.38Å
47	F	65.5	Low	63.6	Low	67 Å²	67	97.9 Å²	97.9	29%	0.294	53%	0.531	S	S	.	.			trans	-63.3	126.6	173	-171.7	-97.9	0	0	0	110.2	T18 A45 P49 S59 F61	T18-F47 HydrophobicContact CG2-CB 4.34Å; T18-F47 HydrophobicContact CG2-CD2 3.5Å; T18-F47 HydrophobicContact CG2-CE2 4.05Å; T18-F47 HydrophobicContact CG2-CG 4.06Å; T18-F47 VanDerWaalsContact OG1-CB 3.29Å; T18-F47 WeakPolarHBondContact OG1-CB 3.37Å; T18-F47 VanDerWaalsContact OG1-CG 3.26Å; T18-F47 WeakPolarHBondContact OG1-CG 3.5Å; A45-F47 PolarHBondContact O-N 2.86Å; F47-P49 HydrophobicContact CE1-CB 4.05Å; F47-S59 WeakPolarHBondContact CD2-OG 3.35Å; F47-S59 WeakPolarHBondContact CE2-O 3.25Å; F47-F61 HydrophobicContact CE1-CE2 4.5Å; F47-F61 AromaticContact CZ-CE2 3.89Å; F47-F61 HydrophobicContact CZ-CE2 3.89Å; F47-F61 HydrophobicContact CZ-CZ 4.02Å
48	D	68.4	Low	62.6	Low	44 Å²	44	96.7 Å²	96.7	24%	0.235	52%	0.521	C	S	.	.			trans	-121	100.2	-179	-174.1	-13.9	0	0	0	108	R46 Y50 G51 K58	R46-D48 PolarHBondContact O-N 3.38Å; D48-Y50 PolarHBondContact O-N 3.26Å; D48-Y50 VanDerWaalsContact O-N 3.11Å; D48-Y50 PolarHBondContact OD1-N 3.43Å; D48-G51 PolarHBondContact O-N 3.47Å; D48-G51 PolarHBondContact OD1-N 3.01Å; D48-G51 VanDerWaalsContact OD1-N 3.1Å; D48-K58 HydrophobicContact CB-CD 4.07Å; D48-K58 IonicContact OD2-NZ 2.91Å; D48-K58 PolarHBondContact OD2-NZ 3.46Å
49	P	65	Low	61.9	Low	68 Å²	68	95.1 Å²	95.1	44%	0.442	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.5	-174.1	24.2	-32.2	0	0	0	113.2	F47	F47-P49 HydrophobicContact CE1-CB 4.05Å
50	Y	68.6	Low	61.7	Low	212 Å²	212	92.2 Å²	92.2	83%	0.831	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	0.1	177.9	-56.4	-71.8	0	0	0	112.8	D48 K52	D48-Y50 PolarHBondContact O-N 3.26Å; D48-Y50 VanDerWaalsContact O-N 3.11Å; D48-Y50 PolarHBondContact OD1-N 3.43Å; Y50-K52 PolarHBondContact O-N 3.17Å
51	G	66.2	Low	61.9	Low	10 Å²	10	89.3 Å²	89.3	10%	0.103	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.1	179.2	0	0	0	0	0	111.1	D48 G60	D48-G51 PolarHBondContact O-N 3.47Å; D48-G51 PolarHBondContact OD1-N 3.01Å; D48-G51 VanDerWaalsContact OD1-N 3.1Å; G51-G60 WeakPolarHBondContact O-CA 3.49Å
52	K	63.3	Low	62.5	Low	148 Å²	148	88.1 Å²	88.1	64%	0.643	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-70.1	140.2	171.1	-68.4	-174.4	-178.7	-177.4	0	110	Y50 G54	Y50-K52 PolarHBondContact O-N 3.17Å; K52-G54 PolarHBondContact O-N 3.37Å
53	P	60.6	Low	63.6	Low	68 Å²	68	89.5 Å²	89.5	44%	0.442	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	136	176.4	31.3	-40.7	0	0	0	110	F61	P53-F61 WeakPolarHBondContact CD-O 2.94Å
54	G	56.6	Low	64.9	Low	77 Å²	77	81.9 Å²	81.9	79%	0.794	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-8.8	171.3	0	0	0	0	0	116.9	K52	K52-G54 PolarHBondContact O-N 3.37Å
55	K	48.1	Very low	66.3	Low	164 Å²	164	82.6 Å²	82.6	71%	0.713	44%	0.442	S	S	*	.	S	Bend	trans	-93.3	109.1	165.7	-71.2	-166.5	-179.2	-170.2	0	109.4
56	S	46.3	Very low	67.8	Low	84 Å²	84	82.5 Å²	82.5	59%	0.587	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	39.6	168.5	70.3	0	0	0	0	118.5	K58	S56-K58 PolarHBondContact O-N 3.47Å
57	G	50.8	Low	69.1	Low	64 Å²	64	75.9 Å²	75.9	66%	0.66	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	16.1	170.4	0	0	0	0	0	115.2
58	K	55.7	Low	70.3	Confident	72 Å²	72	81 Å²	81	31%	0.313	44%	0.438	S	S	.	.			trans	-85.5	138.5	179.5	-66.2	-179.7	173.1	-171	0	111.3	D48 S56 G60	D48-K58 HydrophobicContact CB-CD 4.07Å; D48-K58 IonicContact OD2-NZ 2.91Å; D48-K58 PolarHBondContact OD2-NZ 3.46Å; S56-K58 PolarHBondContact O-N 3.47Å; K58-G60 PolarHBondContact O-N 2.98Å
59	S	58.8	Low	71.2	Confident	54 Å²	54	81.3 Å²	81.3	38%	0.378	44%	0.444	S	S	.	.			trans	-72.9	71.2	172.8	54.9	0	0	0	0	111.2	F47	F47-S59 WeakPolarHBondContact CD2-OG 3.35Å; F47-S59 WeakPolarHBondContact CE2-O 3.25Å
60	G	66.1	Low	72.2	Confident	10 Å²	10	81.5 Å²	81.5	10%	0.103	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-89.3	151.1	177.9	0	0	0	0	0	113.5	G51 K58	G51-G60 WeakPolarHBondContact O-CA 3.49Å; K58-G60 PolarHBondContact O-N 2.98Å
61	F	76.7	Confident	73	Confident	65 Å²	65	71.5 Å²	71.5	29%	0.285	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-73.6	130.5	169.6	-70.3	-65.6	0	0	0	110.9	F47 P53 V71 H72	F47-F61 HydrophobicContact CE1-CE2 4.5Å; F47-F61 AromaticContact CZ-CE2 3.89Å; F47-F61 HydrophobicContact CZ-CE2 3.89Å; F47-F61 HydrophobicContact CZ-CZ 4.02Å; P53-F61 WeakPolarHBondContact CD-O 2.94Å; F61-V71 VanDerWaalsContact CB-O 3.28Å; F61-V71 WeakPolarHBondContact CB-O 3.2Å; F61-V71 VanDerWaalsContact CD1-O 3.24Å; F61-V71 WeakPolarHBondContact CD1-O 3.17Å; F61-V71 WeakPolarHBondContact CG-O 3.41Å; F61-H72 WeakPolarHBondContact CE1-O 3.28Å
62	G	81.4	Confident	73.6	Confident	9 Å²	9	78.4 Å²	78.4	9%	0.093	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-71.4	170.5	179.7	0	0	0	0	0	115	V71	G62-V71 VanDerWaalsContact C-CG2 3.48Å; G62-V71 VanDerWaalsContact N-CG2 3.32Å; G62-V71 WeakPolarHBondContact O-CG2 3.12Å; G62-V71 PolarHBondContact O-N 3.29Å
63	I	87.2	Confident	74.3	Confident	89 Å²	89	76 Å²	76	46%	0.456	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-104.5	133.9	171.6	-62.9	173.6	0	0	0	107.9	R65 K68	I63-R65 PolarHBondContact O-N 3.5Å; I63-K68 HydrophobicContact CG2-CB 4.2Å; I63-K68 WeakPolarHBondContact CG2-O 3.47Å
64	C	91.1	Very high	75.2	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.007	43%	0.432	C	S	.	.			trans	-62.1	128.2	176.5	178.6	0	0	0	0	110.2	I66 C67 K68 S69 V71 H77 C79	C64-I66 PolarHBondContact O-N 2.89Å; C64-I66 PolarHBondContact SG-N 3.15Å; C64-C67 PolarHBondContact SG-SG 3.28Å; C64-K68 WeakPolarHBondContact O-CA 3.36Å; C64-K68 PolarHBondContact O-N 3.28Å; C64-S69 WeakPolarHBondContact CB-O 3Å; C64-S69 PolarHBondContact N-O 3Å; C64-V71 HydrophobicContact CB-CG1 3.95Å; C64-H77 WeakPolarHBondContact CA-O 3.43Å; C64-C79 HydrophobicContact CB-CB 3.99Å; C64-C79 PolarHBondContact SG-N 2.92Å
65	R	90.9	Very high	76.3	Confident	162 Å²	162	75.1 Å²	75.1	61%	0.611	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.7	179.7	-64.5	-179.5	-176	178.1	3.1	114.4	I63 H77 Y78	I63-R65 PolarHBondContact O-N 3.5Å; R65-H77 PolarHBondContact N-O 3.02Å; R65-Y78 HydrophobicContact CB-CD1 4.27Å; R65-Y78 HydrophobicContact CB-CE1 3.9Å
66	I	92.2	Very high	78.2	Confident	62 Å²	62	67.6 Å²	67.6	32%	0.318	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-61.9	-176.4	-63	163.6	0	0	0	110.7	C64 Y78 C82 K86 I88	C64-I66 PolarHBondContact O-N 2.89Å; C64-I66 PolarHBondContact SG-N 3.15Å; I66-Y78 HydrophobicContact CD1-CD1 3.52Å; I66-Y78 HydrophobicContact CD1-CE1 3.89Å; I66-Y78 HydrophobicContact CD1-CG 4.5Å; I66-Y78 HydrophobicContact CG1-CD1 3.85Å; I66-Y78 HydrophobicContact CG1-CE1 4.02Å; I66-C82 HydrophobicContact CB-CB 4.1Å; I66-C82 HydrophobicContact CD1-CB 3.73Å; I66-C82 HydrophobicContact CG2-CB 4.3Å; I66-K86 HydrophobicContact CD1-CD 3.73Å; I66-I88 HydrophobicContact CD1-CD1 4.05Å
67	C	92.3	Very high	80.3	Confident	63 Å²	63	67.2 Å²	67.2	43%	0.426	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.5	-175.2	62.8	0	0	0	0	114	C64 S69 C79	C64-C67 PolarHBondContact SG-SG 3.28Å; C67-S69 PolarHBondContact O-N 2.84Å; C67-S69 PolarHBondContact SG-OG 2.68Å; C67-C79 PolarHBondContact SG-SG 3.05Å
68	K	89.8	Confident	82.2	Confident	175 Å²	175	66.2 Å²	66.2	76%	0.761	35%	0.353	S	S	*	.			trans	58.5	12.8	-178.3	-54.4	178.1	-178	176	0	115.1	I63 C64	I63-K68 HydrophobicContact CG2-CB 4.2Å; I63-K68 WeakPolarHBondContact CG2-O 3.47Å; C64-K68 WeakPolarHBondContact O-CA 3.36Å; C64-K68 PolarHBondContact O-N 3.28Å
69	S	87.4	Confident	83.9	Confident	50 Å²	50	63.5 Å²	63.5	35%	0.35	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.6	156.8	171.4	73.1	0	0	0	0	110.9	C64 C67	C64-S69 WeakPolarHBondContact CB-O 3Å; C64-S69 PolarHBondContact N-O 3Å; C67-S69 PolarHBondContact O-N 2.84Å; C67-S69 PolarHBondContact SG-OG 2.68Å
70	S	85.4	Confident	85.4	Confident	72 Å²	72	66.6 Å²	66.6	50%	0.503	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-60.1	144.3	167.4	-169.5	0	0	0	0	110.4
71	V	86.9	Confident	86.6	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-103.1	141.4	175.8	-54.9	0	0	0	0	110.5	F61 G62 C64 Q73 C79	F61-V71 VanDerWaalsContact CB-O 3.28Å; F61-V71 WeakPolarHBondContact CB-O 3.2Å; F61-V71 VanDerWaalsContact CD1-O 3.24Å; F61-V71 WeakPolarHBondContact CD1-O 3.17Å; F61-V71 WeakPolarHBondContact CG-O 3.41Å; G62-V71 VanDerWaalsContact C-CG2 3.48Å; G62-V71 VanDerWaalsContact N-CG2 3.32Å; G62-V71 WeakPolarHBondContact O-CG2 3.12Å; G62-V71 PolarHBondContact O-N 3.29Å; C64-V71 HydrophobicContact CB-CG1 3.95Å; V71-Q73 PolarHBondContact O-N 3.2Å; V71-C79 HydrophobicContact CG1-CB 4.39Å
72	H	78.3	Confident	87.4	Confident	155 Å²	155	64.4 Å²	64.4	72%	0.718	35%	0.345	S	S	*	.	S	Bend	trans	-85.6	-7.4	-172.7	-53.7	98.4	0	0	0	114.3	F61	F61-H72 WeakPolarHBondContact CE1-O 3.28Å
73	Q	78.8	Confident	87.9	Confident	97 Å²	97	64 Å²	64	45%	0.453	34%	0.34	S	S	.	.	S	Bend	trans	-122.7	134.9	-177.8	-70.6	-164.4	-11	0	0	110.9	V71 S76	V71-Q73 PolarHBondContact O-N 3.2Å; Q73-S76 WeakPolarHBondContact CB-OG 3.31Å; Q73-S76 WeakPolarHBondContact O-CB 3.32Å; Q73-S76 PolarHBondContact O-N 2.78Å
74	S	77.9	Confident	88.1	Confident	75 Å²	75	64.5 Å²	64.5	52%	0.524	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	143.1	173	54.4	0	0	0	0	110.4	S76	S74-S76 PolarHBondContact O-N 2.71Å; S74-S76 VanDerWaalsContact O-N 3.13Å
75	G	80.9	Confident	88.1	Confident	53 Å²	53	69 Å²	69	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-4.4	-177.5	0	0	0	0	0	115.5
76	S	87.4	Confident	88.1	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.042	35%	0.35	C	S	.	.			trans	-79.1	139.3	174.3	-68.8	0	0	0	0	111.9	Q73 S74	Q73-S76 WeakPolarHBondContact CB-OG 3.31Å; Q73-S76 WeakPolarHBondContact O-CB 3.32Å; Q73-S76 PolarHBondContact O-N 2.78Å; S74-S76 PolarHBondContact O-N 2.71Å; S74-S76 VanDerWaalsContact O-N 3.13Å
77	H	90	Very high	88	Confident	76 Å²	76	63.5 Å²	63.5	35%	0.352	34%	0.335	S	S	.	.	S	Bend	trans	-105.4	-16.1	177.3	-67.4	-40.2	0	0	0	113.2	C64 R65 A90 M91	C64-H77 WeakPolarHBondContact CA-O 3.43Å; R65-H77 PolarHBondContact N-O 3.02Å; H77-A90 PolarHBondContact N-O 3.42Å; H77-M91 PolarHBondContact CD2-O 3.26Å
78	Y	91.8	Very high	88.1	Confident	42 Å²	42	61.6 Å²	61.6	17%	0.165	32%	0.32	C	S	.	.	S	Bend	trans	-128.8	142.9	178.5	-51	-81.3	0	0	0	109.6	R65 I66 I88 A90	R65-Y78 HydrophobicContact CB-CD1 4.27Å; R65-Y78 HydrophobicContact CB-CE1 3.9Å; I66-Y78 HydrophobicContact CD1-CD1 3.52Å; I66-Y78 HydrophobicContact CD1-CE1 3.89Å; I66-Y78 HydrophobicContact CD1-CG 4.5Å; I66-Y78 HydrophobicContact CG1-CD1 3.85Å; I66-Y78 HydrophobicContact CG1-CE1 4.02Å; Y78-I88 HydrophobicContact CD1-CD1 4.02Å; Y78-I88 HydrophobicContact CD2-CD1 4.09Å; Y78-I88 HydrophobicContact CE1-CD1 4.12Å; Y78-I88 HydrophobicContact CE2-CD1 4.23Å; Y78-I88 HydrophobicContact CG-CD1 3.98Å; Y78-A90 PolarHBondContact N-O 3.15Å
79	C	91.6	Very high	88.3	Confident	15 Å²	15	53.2 Å²	53.2	10%	0.101	28%	0.284	C	S	.	.			trans	-69.7	158.7	172.4	72	0	0	0	0	110.3	C64 C67 V71 G81 C82 A83	C64-C79 HydrophobicContact CB-CB 3.99Å; C64-C79 PolarHBondContact SG-N 2.92Å; C67-C79 PolarHBondContact SG-SG 3.05Å; V71-C79 HydrophobicContact CG1-CB 4.39Å; C79-G81 PolarHBondContact O-N 3.4Å; C79-C82 PolarHBondContact O-N 3.34Å; C79-C82 PolarHBondContact SG-N 2.94Å; C79-C82 PolarHBondContact SG-SG 2.92Å; C79-A83 VanDerWaalsContact O-CB 3.32Å; C79-A83 WeakPolarHBondContact O-CB 3.46Å; C79-A83 PolarHBondContact O-N 2.83Å
80	Q	89.9	Confident	88.5	Confident	120 Å²	120	51 Å²	51	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-54.9	-39.7	-179.3	-178.6	68.6	-19	0	0	112.1	A83 Y84	Q80-A83 PolarHBondContact O-N 3.42Å; Q80-Y84 WeakPolarHBondContact O-CB 3.06Å; Q80-Y84 PolarHBondContact O-N 3.04Å
81	G	91.8	Very high	88.7	Confident	13 Å²	13	48.5 Å²	48.5	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-71	-40.8	-177.9	0	0	0	0	0	114.4	C79 Y84 K85 S106	C79-G81 PolarHBondContact O-N 3.4Å; G81-Y84 PolarHBondContact O-N 3.21Å; G81-K85 WeakPolarHBondContact O-CB 3.39Å; G81-K85 VanDerWaalsContact O-CG 3.25Å; G81-K85 WeakPolarHBondContact O-CG 3.24Å; G81-K85 PolarHBondContact O-N 3.24Å; G81-S106 VanDerWaalsContact CA-CB 3.42Å; G81-S106 WeakPolarHBondContact CA-OG 3.03Å
82	C	92	Very high	88.9	Confident	15 Å²	15	51.3 Å²	51.3	10%	0.101	27%	0.268	C	S	.	.	H	α-helix	trans	-69.6	-36.8	174	-70.1	0	0	0	0	112.1	I66 C79 Y84 K86	I66-C82 HydrophobicContact CB-CB 4.1Å; I66-C82 HydrophobicContact CD1-CB 3.73Å; I66-C82 HydrophobicContact CG2-CB 4.3Å; C79-C82 PolarHBondContact O-N 3.34Å; C79-C82 PolarHBondContact SG-N 2.94Å; C79-C82 PolarHBondContact SG-SG 2.92Å; C82-Y84 VanDerWaalsContact C-N 3.34Å; C82-K86 WeakPolarHBondContact O-CB 3.48Å; C82-K86 PolarHBondContact O-N 3.45Å; C82-K86 VanDerWaalsContact O-N 3.12Å
83	A	92.9	Very high	89.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.1	0	0	0	0	0	111.1	M1 C79 Q80 G87 I88 A90	M1-A83 HydrophobicContact CB-CB 4.41Å; C79-A83 VanDerWaalsContact O-CB 3.32Å; C79-A83 WeakPolarHBondContact O-CB 3.46Å; C79-A83 PolarHBondContact O-N 2.83Å; Q80-A83 PolarHBondContact O-N 3.42Å; A83-G87 WeakPolarHBondContact O-CA 3.37Å; A83-G87 PolarHBondContact O-N 3.23Å; A83-I88 HydrophobicContact CB-CG1 4.46Å; A83-I88 WeakPolarHBondContact CB-O 3.48Å; A83-I88 PolarHBondContact O-N 3.17Å; A83-A90 HydrophobicContact CB-CB 3.98Å
84	Y	91.4	Very high	90.2	Very high	100 Å²	100	44.2 Å²	44.2	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-57.8	175	-174.9	-111.4	0	0	0	111.7	Q80 G81 C82 K86 G87 Q104 T105	Q80-Y84 WeakPolarHBondContact O-CB 3.06Å; Q80-Y84 PolarHBondContact O-N 3.04Å; G81-Y84 PolarHBondContact O-N 3.21Å; C82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 2.72Å; Y84-G87 PolarHBondContact O-N 3.22Å; Y84-Q104 HydrophobicContact CD1-CB 4.01Å; Y84-Q104 HydrophobicContact CE1-CB 3.66Å; Y84-Q104 HydrophobicContact CE1-CG 4.04Å; Y84-Q104 HydrophobicContact CE2-CG 4.4Å; Y84-Q104 PolarHBondContact O-OE1 3.25Å; Y84-T105 WeakPolarHBondContact CD1-O 3.36Å; Y84-T105 WeakPolarHBondContact CE1-O 3.15Å
85	K	90.6	Very high	90.8	Very high	96 Å²	96	46.4 Å²	46.4	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-51.1	-34.7	-178.4	-73.7	177.3	177	176.2	0	113.3	G81 Q104 S106 V107	G81-K85 WeakPolarHBondContact O-CB 3.39Å; G81-K85 VanDerWaalsContact O-CG 3.25Å; G81-K85 WeakPolarHBondContact O-CG 3.24Å; G81-K85 PolarHBondContact O-N 3.24Å; K85-Q104 WeakPolarHBondContact CG-O 3.03Å; K85-S106 PolarHBondContact NZ-O 3.41Å; K85-V107 PolarHBondContact NZ-O 2.62Å
86	K	90.2	Very high	91.3	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.47	23%	0.231	S	C	.	.	H	α-helix	trans	-98.5	-3.4	-179.8	-62.4	-163.2	-180	-171.6	0	114.7	I66 C82 Y84 I88	I66-K86 HydrophobicContact CD1-CD 3.73Å; C82-K86 WeakPolarHBondContact O-CB 3.48Å; C82-K86 PolarHBondContact O-N 3.45Å; C82-K86 VanDerWaalsContact O-N 3.12Å; Y84-K86 PolarHBondContact O-N 2.72Å; K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 HydrophobicContact CB-CD1 4.29Å; K86-I88 HydrophobicContact CB-CG1 4.14Å; K86-I88 HydrophobicContact CB-CG2 4.13Å; K86-I88 PolarHBondContact O-N 3.14Å
87	G	91.6	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	34.2	-175.3	0	0	0	0	0	113.7	A83 Y84 V96 L97	A83-G87 WeakPolarHBondContact O-CA 3.37Å; A83-G87 PolarHBondContact O-N 3.23Å; Y84-G87 PolarHBondContact O-N 3.22Å; G87-V96 PolarHBondContact O-N 3.11Å; G87-L97 PolarHBondContact O-N 3.29Å; G87-L97 VanDerWaalsContact O-N 3.16Å
88	I	93.3	Very high	91.2	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.118	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-113	156.1	-177.1	65.4	176.3	0	0	0	112.3	I66 Y78 A83 K86 K94	I66-I88 HydrophobicContact CD1-CD1 4.05Å; Y78-I88 HydrophobicContact CD1-CD1 4.02Å; Y78-I88 HydrophobicContact CD2-CD1 4.09Å; Y78-I88 HydrophobicContact CE1-CD1 4.12Å; Y78-I88 HydrophobicContact CE2-CD1 4.23Å; Y78-I88 HydrophobicContact CG-CD1 3.98Å; A83-I88 HydrophobicContact CB-CG1 4.46Å; A83-I88 WeakPolarHBondContact CB-O 3.48Å; A83-I88 PolarHBondContact O-N 3.17Å; K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 HydrophobicContact CB-CD1 4.29Å; K86-I88 HydrophobicContact CB-CG1 4.14Å; K86-I88 HydrophobicContact CB-CG2 4.13Å; K86-I88 PolarHBondContact O-N 3.14Å; I88-K94 CarbonylContact C-O 3.52Å; I88-K94 WeakPolarHBondContact CA-O 3.29Å
89	C	93.4	Very high	90.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.			trans	-70.1	129	172.6	179.7	0	0	0	0	111.2	M1 C3 M91 C92 G93 K94 V96	M1-C89 CarbonylContact O-C 3.56Å; M1-C89 WeakPolarHBondContact O-CA 3.26Å; C3-C89 HydrophobicContact CB-CB 4.36Å; C89-M91 PolarHBondContact O-N 3.35Å; C89-C92 VanDerWaalsContact CB-SG 3.55Å; C89-C92 PolarHBondContact SG-SG 3.4Å; C89-G93 VanDerWaalsContact O-CA 3.3Å; C89-G93 WeakPolarHBondContact O-CA 3.26Å; C89-G93 PolarHBondContact O-N 2.91Å; C89-K94 HydrophobicContact CB-CG 4.01Å; C89-K94 PolarHBondContact N-O 3.27Å; C89-V96 HydrophobicContact CB-CG2 3.92Å
90	A	91.8	Very high	90.5	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.3	-179.4	0	0	0	0	0	113.9	M1 H77 Y78 A83	M1-A90 PolarHBondContact O-N 2.7Å; H77-A90 PolarHBondContact N-O 3.42Å; Y78-A90 PolarHBondContact N-O 3.15Å; A83-A90 HydrophobicContact CB-CB 3.98Å
91	M	89.8	Confident	90.4	Very high	18 Å²	18	58 Å²	58	9%	0.089	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-42.6	-175.7	-65.9	-96	-88.4	0	0	112.8	V2 C6 K9 L10 H77 C89	V2-M91 HydrophobicContact CG1-CG 4.35Å; V2-M91 HydrophobicContact CG2-CG 4.49Å; C6-M91 HydrophobicContact CB-CB 3.98Å; C6-M91 HydrophobicContact CB-CG 4.34Å; K9-M91 HydrophobicContact CB-CE 3.6Å; L10-M91 HydrophobicContact CD2-CE 4.25Å; H77-M91 PolarHBondContact CD2-O 3.26Å; C89-M91 PolarHBondContact O-N 3.35Å
92	C	91.3	Very high	90	Very high	62 Å²	62	64.3 Å²	64.3	42%	0.419	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-8.5	-173	66.7	0	0	0	0	114.9	C89 K94	C89-C92 VanDerWaalsContact CB-SG 3.55Å; C89-C92 PolarHBondContact SG-SG 3.4Å; C92-K94 PolarHBondContact O-N 3.1Å
93	G	90.3	Very high	89.5	Confident	22 Å²	22	73.1 Å²	73.1	23%	0.227	35%	0.35	C	S	.	.			trans	75.2	-0.6	179.8	0	0	0	0	0	115.3	C89	C89-G93 VanDerWaalsContact O-CA 3.3Å; C89-G93 WeakPolarHBondContact O-CA 3.26Å; C89-G93 PolarHBondContact O-N 2.91Å
94	K	93.4	Very high	88.9	Confident	81 Å²	81	74.8 Å²	74.8	35%	0.352	36%	0.357	S	S	.	.			trans	-59.3	142	175.1	89.7	177	-151.3	-167.4	0	110.2	C3 I88 C89 C92 V96	C3-K94 HydrophobicContact CB-CD 3.86Å; C3-K94 HydrophobicContact CB-CG 4.26Å; C3-K94 VanDerWaalsContact CB-NZ 3.25Å; C3-K94 WeakPolarHBondContact SG-CD 3.17Å; C3-K94 WeakPolarHBondContact SG-CE 3.4Å; C3-K94 PolarHBondContact SG-NZ 3.04Å; C3-K94 VanDerWaalsContact SG-NZ 3.35Å; I88-K94 CarbonylContact C-O 3.52Å; I88-K94 WeakPolarHBondContact CA-O 3.29Å; C89-K94 HydrophobicContact CB-CG 4.01Å; C89-K94 PolarHBondContact N-O 3.27Å; C92-K94 PolarHBondContact O-N 3.1Å; K94-V96 HydrophobicContact CG-CG2 4.25Å; K94-V96 PolarHBondContact O-N 3.43Å
95	K	92.1	Very high	88.4	Confident	120 Å²	120	74.4 Å²	74.4	52%	0.522	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-69.5	125.7	175.3	-165.2	171.5	179.7	-175.5	0	109.2	L97 D98	K95-L97 WeakPolarHBondContact CE-O 3.47Å; K95-L97 WeakPolarHBondContact CG-O 3.13Å; K95-D98 WeakPolarHBondContact CE-OD1 3.34Å; K95-D98 IonicContact NZ-OD1 2.72Å; K95-D98 PolarHBondContact NZ-OD1 3.49Å
96	V	91.1	Very high	87.5	Confident	60 Å²	60	71.8 Å²	71.8	36%	0.364	36%	0.36	S	S	.	.			trans	-108.8	-28.7	-178.7	-174.6	0	0	0	0	110.7	M1 C3 G87 C89 K94	M1-V96 HydrophobicContact CE-CB 3.78Å; M1-V96 HydrophobicContact CE-CG1 3.63Å; M1-V96 HydrophobicContact CG-CB 4.18Å; M1-V96 HydrophobicContact CG-CG1 4.23Å; M1-V96 HydrophobicContact CG-CG2 4.42Å; M1-V96 HydrophobicContact SD-CB 4.17Å; M1-V96 HydrophobicContact SD-CG1 4.48Å; C3-V96 HydrophobicContact CB-CG2 4.08Å; G87-V96 PolarHBondContact O-N 3.11Å; C89-V96 HydrophobicContact CB-CG2 3.92Å; K94-V96 HydrophobicContact CG-CG2 4.25Å; K94-V96 PolarHBondContact O-N 3.43Å
97	L	87.1	Confident	86.1	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.304	39%	0.391	S	S	.	.	S	Bend	trans	-137	145	177.5	-167.9	105.5	0	0	0	109.9	M1 G87 K95 T99 Y102 Q104	M1-L97 HydrophobicContact CE-CB 3.65Å; G87-L97 PolarHBondContact O-N 3.29Å; G87-L97 VanDerWaalsContact O-N 3.16Å; K95-L97 WeakPolarHBondContact CE-O 3.47Å; K95-L97 WeakPolarHBondContact CG-O 3.13Å; L97-T99 HydrophobicContact CD2-CG2 3.95Å; L97-T99 PolarHBondContact O-N 3Å; L97-Y102 HydrophobicContact CD2-CD2 4.16Å; L97-Q104 VanDerWaalsContact CD2-NE2 3.34Å
98	D	87.6	Confident	85.8	Confident	77 Å²	77	79.4 Å²	79.4	41%	0.412	41%	0.411	S	S	.	.			trans	-84.5	108.1	167.7	-162.2	8.3	0	0	0	110.9	K95 K100 Y102	K95-D98 WeakPolarHBondContact CE-OD1 3.34Å; K95-D98 IonicContact NZ-OD1 2.72Å; K95-D98 PolarHBondContact NZ-OD1 3.49Å; D98-K100 VanDerWaalsContact C-N 3.34Å; D98-K100 WeakPolarHBondContact OD1-CG 3.4Å; D98-Y102 VanDerWaalsContact O-CD2 3.26Å; D98-Y102 WeakPolarHBondContact O-CD2 3.11Å
99	T	84.9	Confident	85.4	Confident	33 Å²	33	82.4 Å²	82.4	20%	0.202	43%	0.426	C	S	.	.			trans	-87.6	3.9	-177	51.9	0	0	0	0	114	L97 N101 Y102 Q104	L97-T99 HydrophobicContact CD2-CG2 3.95Å; L97-T99 PolarHBondContact O-N 3Å; T99-N101 PolarHBondContact O-N 3.08Å; T99-N101 VanDerWaalsContact O-N 3.11Å; T99-Y102 PolarHBondContact O-N 3.16Å; T99-Q104 HydrophobicContact CG2-CG 4.49Å; T99-Q104 VanDerWaalsContact CG2-OE1 3.26Å
100	K	85.1	Confident	84.9	Confident	171 Å²	171	86.9 Å²	86.9	74%	0.743	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.6	-178.2	-79.6	178.4	-179.4	179.7	0	113.7	D98	D98-K100 VanDerWaalsContact C-N 3.34Å; D98-K100 WeakPolarHBondContact OD1-CG 3.4Å
101	N	87.4	Confident	84.5	Confident	156 Å²	156	91.8 Å²	91.8	83%	0.834	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	5.5	-178.2	-61.1	-20.4	0	0	0	113.2	T99	T99-N101 PolarHBondContact O-N 3.08Å; T99-N101 VanDerWaalsContact O-N 3.11Å
102	Y	82.6	Confident	84.2	Confident	147 Å²	147	96.4 Å²	96.4	58%	0.576	50%	0.499	S	S	*	.			trans	-120	122.8	-175.2	-62.3	-81.5	0	0	0	111	L97 D98 T99 Q104	L97-Y102 HydrophobicContact CD2-CD2 4.16Å; D98-Y102 VanDerWaalsContact O-CD2 3.26Å; D98-Y102 WeakPolarHBondContact O-CD2 3.11Å; T99-Y102 PolarHBondContact O-N 3.16Å; Y102-Q104 VanDerWaalsContact C-N 3.26Å; Y102-Q104 PolarHBondContact O-N 3.17Å
103	K	81.5	Confident	83.7	Confident	200 Å²	200	98.7 Å²	98.7	87%	0.87	50%	0.504	S	S	*	.			trans	-85.2	69.4	171.7	-165.2	176.5	-178.4	-179.6	0	110.4	T105	K103-T105 PolarHBondContact O-N 3.01Å
104	Q	81.7	Confident	83.3	Confident	34 Å²	34	104.2 Å²	104.2	16%	0.159	52%	0.524	C	S	.	.			trans	-71.1	112.8	179.3	-68.8	-168.2	-31.3	0	0	110.7	Y84 K85 L97 T99 Y102	Y84-Q104 HydrophobicContact CD1-CB 4.01Å; Y84-Q104 HydrophobicContact CE1-CB 3.66Å; Y84-Q104 HydrophobicContact CE1-CG 4.04Å; Y84-Q104 HydrophobicContact CE2-CG 4.4Å; Y84-Q104 PolarHBondContact O-OE1 3.25Å; K85-Q104 WeakPolarHBondContact CG-O 3.03Å; L97-Q104 VanDerWaalsContact CD2-NE2 3.34Å; T99-Q104 HydrophobicContact CG2-CG 4.49Å; T99-Q104 VanDerWaalsContact CG2-OE1 3.26Å; Y102-Q104 VanDerWaalsContact C-N 3.26Å; Y102-Q104 PolarHBondContact O-N 3.17Å
105	T	79.6	Confident	82.5	Confident	93 Å²	93	106 Å²	106	57%	0.571	54%	0.537	S	S	*	.			trans	-104.8	145.5	170.5	49.7	0	0	0	0	109.6	Y84 K103	Y84-T105 WeakPolarHBondContact CD1-O 3.36Å; Y84-T105 WeakPolarHBondContact CE1-O 3.15Å; K103-T105 PolarHBondContact O-N 3.01Å
106	S	71.8	Confident	81.7	Confident	41 Å²	41	104.8 Å²	104.8	29%	0.287	54%	0.538	S	S	.	.			trans	-131.7	75	176.6	166.7	0	0	0	0	105.2	G81 K85	G81-S106 VanDerWaalsContact CA-CB 3.42Å; G81-S106 WeakPolarHBondContact CA-OG 3.03Å; K85-S106 PolarHBondContact NZ-O 3.41Å
107	V	60	Low	80.8	Confident	188 Å²	188	108.9 Å²	108.9	100%	1.139	55%	0.554	S	S	*	*			trans	60.6	0	-163.3	-165.6	0	0	0	0	112.2	K85	K85-V107 PolarHBondContact NZ-O 2.62Å

Retrieved 107 of 107 residues in 267.1 ms (Link to these results)

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