A0A087X061_HUMAN Loading...

Mucin-1

AlphaFold DB , UniProt , Accession A0A087X061, Species HUMAN (Homo sapiens, Human), Gene MUC1, Length 96 aa.

						>A0A087X061_HUMAN|A0A087X061|MUC1
MTPGTQSPFFLLLLLTVLTVVTGSGHASSTPGGEKETSATQRSSVPSSTEKNAFNSSLEDPSTDYYQELQRDISEMFLQIYKQGGFLGLSNIKFSE
					

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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	43	Very low	60.9	Low	241 Å²	241	122.2 Å²	122.2	100%	1.187	69%	0.692	S	S	*	*				0	98.4	0	-72.2	171.4	147.9	0	0	107.4	P3	M1-P3 WeakPolarHBondContact O-CD 3.49Å
2	T	53.3	Low	62.4	Low	137 Å²	137	119.2 Å²	119.2	84%	0.84	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-83.9	116.9	174.9	36.7	0	0	0	0	108.2	G4	T2-G4 PolarHBondContact O-N 3.45Å
3	P	51.3	Low	63.9	Low	126 Å²	126	117.8 Å²	117.8	82%	0.818	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.9	136.6	177.2	-18.5	31.2	0	0	0	109.7	M1 T5	M1-P3 WeakPolarHBondContact O-CD 3.49Å; P3-T5 PolarHBondContact O-N 3.48Å
4	G	54.3	Low	65	Low	74 Å²	74	114.1 Å²	114.1	76%	0.763	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-52.7	126.3	-167.8	0	0	0	0	0	114.3	T2 Q6	T2-G4 PolarHBondContact O-N 3.45Å; G4-Q6 PolarHBondContact O-N 2.7Å
5	T	60	Low	65.8	Low	144 Å²	144	113.3 Å²	113.3	88%	0.883	63%	0.632	S	S	*	*			trans	-69	76.7	153.3	43.8	0	0	0	0	107.9	P3 S7	P3-T5 PolarHBondContact O-N 3.48Å; T5-S7 PolarHBondContact O-N 3.46Å
6	Q	57.8	Low	66.5	Low	181 Å²	181	111.4 Å²	111.4	85%	0.846	62%	0.624	S	S	*	*			trans	-70.1	90.2	163.3	-165.7	-179	13.8	0	0	105.4	G4 P8	G4-Q6 PolarHBondContact O-N 2.7Å; Q6-P8 WeakPolarHBondContact O-CD 3.29Å
7	S	58.4	Low	67	Low	77 Å²	77	110.5 Å²	110.5	54%	0.538	62%	0.621	S	S	.	*			trans	-54	113.2	175.7	176.6	0	0	0	0	107.1	T5 F9	T5-S7 PolarHBondContact O-N 3.46Å; S7-F9 PolarHBondContact O-N 3.4Å; S7-F9 VanDerWaalsContact O-N 3.1Å
8	P	69.8	Low	67.3	Low	40 Å²	40	109.9 Å²	109.9	26%	0.26	62%	0.616	S	S	.	*			trans	-70.9	116.4	-179.7	24.6	-27.1	0	0	0	107.4	Q6 F10 L11	Q6-P8 WeakPolarHBondContact O-CD 3.29Å; P8-F10 HydrophobicContact CB-CD1 3.4Å; P8-F10 HydrophobicContact CB-CD2 4.36Å; P8-F10 HydrophobicContact CB-CE1 3.06Å; P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CG 4.03Å; P8-F10 HydrophobicContact CB-CZ 3.41Å; P8-F10 VanDerWaalsContact CB-CZ 3.41Å; P8-F10 HydrophobicContact CG-CD1 4.34Å; P8-F10 HydrophobicContact CG-CE1 3.77Å; P8-F10 HydrophobicContact CG-CE2 3.98Å; P8-F10 HydrophobicContact CG-CZ 3.53Å; P8-F10 PolarHBondContact O-N 2.75Å; P8-L11 HydrophobicContact CG-CB 4.45Å; P8-L11 HydrophobicContact CG-CD1 3.53Å; P8-L11 HydrophobicContact CG-CG 3.78Å; P8-L11 PolarHBondContact O-N 2.91Å
9	F	72.6	Confident	67.1	Low	156 Å²	156	108.7 Å²	108.7	68%	0.684	61%	0.612	S	S	*	*	H	α-helix	trans	-51.2	-24.6	-178.1	-166.6	-94.2	0	0	0	113	S7 L11 L12 L13	S7-F9 PolarHBondContact O-N 3.4Å; S7-F9 VanDerWaalsContact O-N 3.1Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.36Å; F9-L12 PolarHBondContact O-N 3.2Å; F9-L13 PolarHBondContact O-N 3.22Å
10	F	71.1	Confident	66.9	Low	100 Å²	100	109.2 Å²	109.2	44%	0.439	62%	0.617	S	S	.	*	H	α-helix	trans	-61.4	-32.1	173.8	68.7	-111.1	0	0	0	113.9	P8 L13 L14 I80	P8-F10 HydrophobicContact CB-CD1 3.4Å; P8-F10 HydrophobicContact CB-CD2 4.36Å; P8-F10 HydrophobicContact CB-CE1 3.06Å; P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CG 4.03Å; P8-F10 HydrophobicContact CB-CZ 3.41Å; P8-F10 VanDerWaalsContact CB-CZ 3.41Å; P8-F10 HydrophobicContact CG-CD1 4.34Å; P8-F10 HydrophobicContact CG-CE1 3.77Å; P8-F10 HydrophobicContact CG-CE2 3.98Å; P8-F10 HydrophobicContact CG-CZ 3.53Å; P8-F10 PolarHBondContact O-N 2.75Å; F10-L13 PolarHBondContact O-N 2.9Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 2.85Å; F10-I80 HydrophobicContact CE2-CG2 3.69Å; F10-I80 HydrophobicContact CZ-CG2 4.14Å
11	L	78.6	Confident	66.6	Low	68 Å²	68	109.1 Å²	109.1	36%	0.356	62%	0.619	S	S	.	*	H	α-helix	trans	-70.3	-37.9	175.9	-70.7	177.2	0	0	0	111.1	P8 F9 L13 L15	P8-L11 HydrophobicContact CG-CB 4.45Å; P8-L11 HydrophobicContact CG-CD1 3.53Å; P8-L11 HydrophobicContact CG-CG 3.78Å; P8-L11 PolarHBondContact O-N 2.91Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.36Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L15 VanDerWaalsContact O-CB 3.23Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.49Å
12	L	78.8	Confident	66.8	Low	86 Å²	86	101.7 Å²	101.7	45%	0.45	59%	0.587	S	S	.	*	H	α-helix	trans	-66.6	-38.7	173.5	-63.6	174.9	0	0	0	110.9	F9 L15 T16	F9-L12 PolarHBondContact O-N 3.2Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 PolarHBondContact O-N 3.16Å; L12-T16 PolarHBondContact O-OG1 3.08Å
13	L	81.3	Confident	66.7	Low	102 Å²	102	98.7 Å²	98.7	53%	0.534	58%	0.583	S	S	.	*	H	α-helix	trans	-65.9	-46.4	175.5	-173.1	62.9	0	0	0	111.7	F9 F10 L11 L15 T16 V17	F9-L13 PolarHBondContact O-N 3.22Å; F10-L13 PolarHBondContact O-N 2.9Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.42Å; L13-T16 PolarHBondContact O-N 2.96Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.48Å
14	L	80.1	Confident	66.6	Low	65 Å²	65	98 Å²	98	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-58.3	-45.3	173.7	-109	149.2	0	0	0	111.5	F10 T16 V17 L18 F77	F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 2.85Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.34Å; L14-V17 PolarHBondContact O-N 3.2Å; L14-L18 VanDerWaalsContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CB 3.15Å; L14-L18 PolarHBondContact O-N 3.45Å; L14-F77 HydrophobicContact CD2-CZ 4.09Å
15	L	76.9	Confident	66.5	Low	102 Å²	102	97.4 Å²	97.4	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-38.4	177.2	-172.1	67.2	0	0	0	111.7	L11 L12 L13 L18 T19	L11-L15 VanDerWaalsContact O-CB 3.23Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.42Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 2.73Å; L15-T19 VanDerWaalsContact O-CB 3.3Å; L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 3.26Å; L15-T19 PolarHBondContact O-OG1 3.28Å
16	T	77.2	Confident	65.4	Low	84 Å²	84	99.6 Å²	99.6	52%	0.515	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-46.3	177.4	-57.1	0	0	0	0	111.3	L12 L13 L14 T19 V20	L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 PolarHBondContact O-N 3.16Å; L12-T16 PolarHBondContact O-OG1 3.08Å; L13-T16 PolarHBondContact O-N 2.96Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.34Å; T16-T19 PolarHBondContact O-N 3Å; T16-V20 WeakPolarHBondContact O-CG2 3.23Å; T16-V20 PolarHBondContact O-N 2.85Å
17	V	74.1	Confident	64.7	Low	95 Å²	95	95.4 Å²	95.4	58%	0.576	57%	0.572	S	S	*	*	H	α-helix	trans	-63.6	-42.6	176.3	174.9	0	0	0	0	110.8	L13 L14 T19 V20 V21	L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.48Å; L14-V17 PolarHBondContact O-N 3.2Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 2.68Å; V17-V20 PolarHBondContact O-N 3.48Å; V17-V21 PolarHBondContact O-N 2.91Å; V17-V21 VanDerWaalsContact O-N 3.08Å
18	L	72.4	Confident	63.9	Low	101 Å²	101	97.1 Å²	97.1	53%	0.529	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-35.6	176.4	-173.1	63.5	0	0	0	112.6	L14 L15 V21 T22	L14-L18 VanDerWaalsContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CB 3.15Å; L14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 2.73Å; L18-V21 HydrophobicContact CD1-CG1 4.16Å; L18-V21 WeakPolarHBondContact O-CG1 3.46Å; L18-V21 PolarHBondContact O-N 3.47Å; L18-T22 PolarHBondContact O-N 3.46Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.48Å
19	T	63.7	Low	62.2	Low	86 Å²	86	100.6 Å²	100.6	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-70.2	-34.7	176	-57.4	0	0	0	0	111.5	L15 T16 V17 T22	L15-T19 VanDerWaalsContact O-CB 3.3Å; L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 3.26Å; L15-T19 PolarHBondContact O-OG1 3.28Å; T16-T19 PolarHBondContact O-N 3Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 2.68Å; T19-T22 WeakPolarHBondContact CA-OG1 3.36Å; T19-T22 CarbonylContact O-C 3.45Å; T19-T22 PolarHBondContact O-N 2.88Å; T19-T22 PolarHBondContact O-OG1 3.45Å
20	V	63.1	Low	60.6	Low	118 Å²	118	99.5 Å²	99.5	72%	0.715	62%	0.615	S	S	*	*	H	α-helix	trans	-67.8	-39.5	174.5	166.4	0	0	0	0	111.7	T16 V17 T22	T16-V20 WeakPolarHBondContact O-CG2 3.23Å; T16-V20 PolarHBondContact O-N 2.85Å; V17-V20 PolarHBondContact O-N 3.48Å; V20-T22 VanDerWaalsContact C-N 3.26Å; V20-T22 PolarHBondContact O-N 3.45Å
21	V	60.5	Low	59.7	Low	108 Å²	108	100.8 Å²	100.8	66%	0.655	63%	0.634	S	S	*	*	H	α-helix	trans	-71.6	-22.4	178.1	98.9	0	0	0	0	112.5	V17 L18 G23	V17-V21 PolarHBondContact O-N 2.91Å; V17-V21 VanDerWaalsContact O-N 3.08Å; L18-V21 HydrophobicContact CD1-CG1 4.16Å; L18-V21 WeakPolarHBondContact O-CG1 3.46Å; L18-V21 PolarHBondContact O-N 3.47Å; V21-G23 PolarHBondContact O-N 3.38Å
22	T	48.7	Very low	57.5	Low	86 Å²	86	101.1 Å²	101.1	53%	0.528	65%	0.654	S	S	.	*	S	Bend	trans	-101.6	70.2	175.6	49.4	0	0	0	0	109.7	L18 T19 V20 S24	L18-T22 PolarHBondContact O-N 3.46Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.48Å; T19-T22 WeakPolarHBondContact CA-OG1 3.36Å; T19-T22 CarbonylContact O-C 3.45Å; T19-T22 PolarHBondContact O-N 2.88Å; T19-T22 PolarHBondContact O-OG1 3.45Å; V20-T22 VanDerWaalsContact C-N 3.26Å; V20-T22 PolarHBondContact O-N 3.45Å; T22-S24 PolarHBondContact O-N 2.69Å
23	G	50.1	Low	55.6	Low	73 Å²	73	100.7 Å²	100.7	75%	0.753	67%	0.67	S	S	*	*			trans	-53.1	92.5	179.8	0	0	0	0	0	113.4	V21 G25	V21-G23 PolarHBondContact O-N 3.38Å; G23-G25 VanDerWaalsContact C-N 3.33Å; G23-G25 PolarHBondContact O-N 2.85Å
24	S	49.7	Very low	53.5	Low	111 Å²	111	104.6 Å²	104.6	78%	0.776	69%	0.685	S	S	*	*			trans	-82.4	86.7	160.1	174.5	0	0	0	0	107.5	T22 H26	T22-S24 PolarHBondContact O-N 2.69Å; S24-H26 PolarHBondContact O-N 2.87Å
25	G	50.7	Low	51.5	Low	63 Å²	63	110.2 Å²	110.2	65%	0.649	71%	0.707	S	S	*	*			trans	-60.5	127.8	170.3	0	0	0	0	0	111.3	G23	G23-G25 VanDerWaalsContact C-N 3.33Å; G23-G25 PolarHBondContact O-N 2.85Å
26	H	38.2	Very low	49.7	Very low	189 Å²	189	113.5 Å²	113.5	88%	0.875	72%	0.72	S	S	*	*			trans	-136.2	130.1	144.1	-97.3	79.5	0	0	0	108.1	S24	S24-H26 PolarHBondContact O-N 2.87Å
27	A	43.5	Very low	47.6	Very low	93 Å²	93	116.5 Å²	116.5	77%	0.769	74%	0.738	S	S	*	*			trans	-82.1	173.4	-160.9	0	0	0	0	0	114.8
28	S	40.9	Very low	46.1	Very low	114 Å²	114	117 Å²	117	80%	0.797	75%	0.746	S	S	*	*			trans	90	130.7	160.3	87.6	0	0	0	0	114.9
29	S	35.1	Very low	44.8	Very low	113 Å²	113	116.7 Å²	116.7	79%	0.79	76%	0.758	S	S	*	*			cis	-159.2	148.3	9.9	-43.3	0	0	0	0	110.5
30	T	39.1	Very low	43.7	Very low	133 Å²	133	118.1 Å²	118.1	82%	0.816	77%	0.767	S	S	*	*			trans	-81.9	164.6	159.1	-31.1	0	0	0	0	108.1
31	P	51	Low	43.1	Very low	127 Å²	127	122 Å²	122	83%	0.825	78%	0.777	S	S	*	*			cis	-152.5	177.6	31.7	41.7	-18.3	0	0	0	119.7
32	G	31.8	Very low	42.3	Very low	75 Å²	75	127.3 Å²	127.3	77%	0.773	79%	0.785	S	S	*	*			trans	132.8	107.8	158.6	0	0	0	0	0	114.1
33	G	38.7	Very low	42.1	Very low	77 Å²	77	128.2 Å²	128.2	79%	0.794	80%	0.795	S	S	*	*				80.1	129.4	100.1	0	0	0	0	0	111.3
34	E	38.1	Very low	42	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	80%	0.795	S	S	*	*			cis	-175.4	156.1	23.9	57.2	-162.1	112.5	0	0	110.7
35	K	38.1	Very low	42.2	Very low	184 Å²	184	130.1 Å²	130.1	80%	0.8	79%	0.792	S	S	*	*			trans	69.4	101.9	139.1	-149.4	169.3	-179	173.5	0	124.2
36	E	38.3	Very low	42	Very low	170 Å²	170	132 Å²	132	79%	0.794	79%	0.792	S	S	*	*				38.6	113.6	124.2	-148.8	176.5	139.7	0	0	121.4
37	T	34.7	Very low	42.3	Very low	147 Å²	147	127.1 Å²	127.1	90%	0.902	78%	0.78	S	S	*	*			trans	-146	135.2	150.5	55.1	0	0	0	0	112.4
38	S	41.3	Very low	42.5	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	78%	0.781	S	S	*	*			trans	-71.2	153.1	-168.3	-50.5	0	0	0	0	117.1
39	A	45.8	Very low	42.8	Very low	94 Å²	94	127.9 Å²	127.9	78%	0.777	78%	0.775	S	S	*	*			trans	48.9	103.4	142.4	0	0	0	0	0	119.2
40	T	39.5	Very low	43.7	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	77%	0.774	S	S	*	*			trans	-141.9	102.7	140.7	-70.8	0	0	0	0	107.7	R42	T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 HydrophobicContact CG2-CG 4.13Å; T40-R42 PolarHBondContact O-N 2.93Å
41	Q	50.7	Low	44.6	Very low	200 Å²	200	131.5 Å²	131.5	94%	0.935	77%	0.768	S	S	*	*			trans	-59.3	89.9	166.9	-179.5	-176.6	-13	0	0	108.4
42	R	44.4	Very low	45.3	Very low	219 Å²	219	130.4 Å²	130.4	83%	0.826	76%	0.755	S	S	*	*			trans	-94	107.7	160.2	-88.4	178.2	178.5	146	1.5	106.4	T40 S44	T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 HydrophobicContact CG2-CG 4.13Å; T40-R42 PolarHBondContact O-N 2.93Å; R42-S44 PolarHBondContact O-N 3.22Å
43	S	45.4	Very low	47.4	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	74%	0.738	S	S	*	*			trans	-28.4	106	157.7	173.6	0	0	0	0	109.4	V45	S43-V45 PolarHBondContact O-N 3.1Å
44	S	46.5	Very low	49.4	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	72%	0.717	S	S	*	*			trans	-66.9	87.3	169.8	41.8	0	0	0	0	106.4	R42 P46	R42-S44 PolarHBondContact O-N 3.22Å; S44-P46 WeakPolarHBondContact O-CD 3.43Å
45	V	54.2	Low	51.7	Low	115 Å²	115	123.4 Å²	123.4	70%	0.697	69%	0.691	S	S	*	*			trans	-53	119.9	154.3	179.6	0	0	0	0	104.6	S43 S47	S43-V45 PolarHBondContact O-N 3.1Å; V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 2.9Å
46	P	47.8	Very low	54.1	Low	103 Å²	103	118.7 Å²	118.7	67%	0.669	68%	0.681	S	S	*	*			trans	-60.9	106.3	170.1	25.3	-30.2	0	0	0	105.4	S44 S48	S44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-S48 VanDerWaalsContact C-N 3.32Å; P46-S48 PolarHBondContact O-N 2.64Å
47	S	42.7	Very low	56.6	Low	87 Å²	87	112.3 Å²	112.3	61%	0.608	66%	0.655	S	S	*	*			trans	-61	106.4	166.5	-167.4	0	0	0	0	104.1	V45 T49	V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 2.9Å; S47-T49 PolarHBondContact O-N 2.74Å; S47-T49 PolarHBondContact OG-OG1 3.41Å
48	S	47.8	Very low	59.3	Low	114 Å²	114	105.7 Å²	105.7	80%	0.797	61%	0.614	S	S	*	*	S	Bend	trans	-67.6	41.5	177.6	-50.7	0	0	0	0	112	P46	P46-S48 VanDerWaalsContact C-N 3.32Å; P46-S48 PolarHBondContact O-N 2.64Å
49	T	47.7	Very low	61.7	Low	109 Å²	109	107 Å²	107	67%	0.669	61%	0.609	S	S	*	*			trans	-93.5	22.4	176.2	-35.2	0	0	0	0	110.3	S47	S47-T49 PolarHBondContact O-N 2.74Å; S47-T49 PolarHBondContact OG-OG1 3.41Å
50	E	54.3	Low	63.9	Low	164 Å²	164	106.1 Å²	106.1	77%	0.766	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-86.7	-2.8	174.5	-73.4	-170	124.1	0	0	113.4	N52 A53	E50-N52 PolarHBondContact O-N 2.95Å; E50-A53 PolarHBondContact O-N 2.98Å
51	K	58.4	Low	66.4	Low	158 Å²	158	103.8 Å²	103.8	69%	0.687	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-61.6	-16.9	179.1	-168.6	-176	168.8	-167.7	0	112.6	Y65	K51-Y65 PolarHBondContact O-OH 3.5Å
52	N	64.4	Low	68.4	Low	103 Å²	103	98.5 Å²	98.5	55%	0.551	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-128.9	22.7	-173.1	-64	67	0	0	0	113.4	E50 Y65	E50-N52 PolarHBondContact O-N 2.95Å; N52-Y65 WeakPolarHBondContact CA-OH 3.39Å
53	A	76.8	Confident	70.8	Confident	51 Å²	51	89.7 Å²	89.7	42%	0.421	53%	0.534	S	S	.	.			trans	-62.6	137.9	172.9	0	0	0	0	0	110.2	E50 N55	E50-A53 PolarHBondContact O-N 2.98Å; A53-N55 PolarHBondContact O-N 3.28Å; A53-N55 VanDerWaalsContact O-N 3.16Å; A53-N55 PolarHBondContact O-ND2 3.3Å
54	F	81.2	Confident	73.2	Confident	82 Å²	82	91 Å²	91	36%	0.36	53%	0.533	S	S	.	.			trans	-58.8	123.3	171.2	-166.6	-92.6	0	0	0	108.1	L58 E59 F94 S95 E96	F54-L58 HydrophobicContact CD2-CB 4.31Å; F54-L58 HydrophobicContact CD2-CD1 4.01Å; F54-L58 HydrophobicContact CE2-CB 4.05Å; F54-L58 HydrophobicContact CE2-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CB 4.5Å; F54-E59 HydrophobicContact CE1-CG 4.16Å; F54-E59 HydrophobicContact CZ-CG 4.13Å; F54-F94 HydrophobicContact CE2-CB 3.94Å; F54-S95 VanDerWaalsContact CE2-C 3.5Å; F54-E96 HydrophobicContact CD1-CB 4.42Å; F54-E96 HydrophobicContact CE1-CB 4.14Å; F54-E96 HydrophobicContact CZ-CB 4.47Å
55	N	85.4	Confident	75.4	Confident	55 Å²	55	88.5 Å²	88.5	29%	0.294	51%	0.507	S	S	.	.			trans	-142.4	166.3	-177.1	69.6	81.1	0	0	0	108.7	A53 S57 L58 Y65	A53-N55 PolarHBondContact O-N 3.28Å; A53-N55 VanDerWaalsContact O-N 3.16Å; A53-N55 PolarHBondContact O-ND2 3.3Å; N55-S57 PolarHBondContact O-N 3.2Å; N55-S57 WeakPolarHBondContact OD1-CB 3.39Å; N55-S57 PolarHBondContact OD1-N 3.13Å; N55-S57 PolarHBondContact OD1-OG 3.39Å; N55-L58 WeakPolarHBondContact O-CB 3.38Å; N55-L58 PolarHBondContact O-N 3.1Å; N55-Y65 WeakPolarHBondContact ND2-CE1 3.45Å
56	S	88.4	Confident	77.3	Confident	85 Å²	85	83.6 Å²	83.6	59%	0.594	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-62.9	-19.3	-171.3	60	0	0	0	0	114.8	L58 E59	S56-L58 PolarHBondContact O-N 3.14Å; S56-E59 WeakPolarHBondContact CA-OE2 3.48Å; S56-E59 WeakPolarHBondContact CB-OE2 3.47Å; S56-E59 WeakPolarHBondContact O-CB 3.34Å; S56-E59 PolarHBondContact O-N 2.95Å
57	S	90.5	Very high	79.5	Confident	37 Å²	37	83 Å²	83	26%	0.259	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-65.7	-26.8	173.4	-43.6	0	0	0	0	111.9	N55 E59 D60 T63	N55-S57 PolarHBondContact O-N 3.2Å; N55-S57 WeakPolarHBondContact OD1-CB 3.39Å; N55-S57 PolarHBondContact OD1-N 3.13Å; N55-S57 PolarHBondContact OD1-OG 3.39Å; S57-E59 PolarHBondContact O-N 2.83Å; S57-D60 PolarHBondContact O-N 3.21Å; S57-D60 VanDerWaalsContact O-O 3.04Å; S57-T63 PolarHBondContact O-OG1 3.48Å
58	L	92.2	Very high	81.9	Confident	7 Å²	7	84.7 Å²	84.7	4%	0.037	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-77.7	-8.5	177.2	-63.9	-175.1	0	0	0	113.5	F54 N55 S56 Y65 Y66 L69 F94	F54-L58 HydrophobicContact CD2-CB 4.31Å; F54-L58 HydrophobicContact CD2-CD1 4.01Å; F54-L58 HydrophobicContact CE2-CB 4.05Å; F54-L58 HydrophobicContact CE2-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CB 4.5Å; N55-L58 WeakPolarHBondContact O-CB 3.38Å; N55-L58 PolarHBondContact O-N 3.1Å; S56-L58 PolarHBondContact O-N 3.14Å; L58-Y65 HydrophobicContact CD1-CE1 4.12Å; L58-Y65 HydrophobicContact CD2-CD1 3.58Å; L58-Y65 HydrophobicContact CD2-CE1 3.53Å; L58-Y65 HydrophobicContact CG-CD1 4Å; L58-Y65 HydrophobicContact CG-CE1 3.74Å; L58-Y66 WeakPolarHBondContact O-CD2 3.48Å; L58-Y66 WeakPolarHBondContact O-CE2 3.46Å; L58-L69 HydrophobicContact CD1-CD2 4.16Å; L58-L69 HydrophobicContact CD2-CD2 3.71Å; L58-F94 HydrophobicContact CB-CB 4Å; L58-F94 HydrophobicContact CB-CD2 4.38Å; L58-F94 HydrophobicContact CB-CG 4.36Å; L58-F94 HydrophobicContact CD1-CG 4.49Å; L58-F94 HydrophobicContact CD2-CD2 3.96Å; L58-F94 HydrophobicContact CD2-CE2 4.21Å; L58-F94 HydrophobicContact CD2-CG 4.36Å
59	E	91.6	Very high	84.1	Confident	134 Å²	134	80.4 Å²	80.4	63%	0.626	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-84.9	-23.4	175.1	-59	172.8	106.8	0	0	111.8	F54 S56 S57	F54-E59 HydrophobicContact CE1-CG 4.16Å; F54-E59 HydrophobicContact CZ-CG 4.13Å; S56-E59 WeakPolarHBondContact CA-OE2 3.48Å; S56-E59 WeakPolarHBondContact CB-OE2 3.47Å; S56-E59 WeakPolarHBondContact O-CB 3.34Å; S56-E59 PolarHBondContact O-N 2.95Å; S57-E59 PolarHBondContact O-N 2.83Å
60	D	91.5	Very high	86.2	Confident	75 Å²	75	77.7 Å²	77.7	40%	0.401	41%	0.41	S	S	.	.			trans	-114.9	113.3	-178.8	-175.7	-11.4	0	0	0	111.2	S57 S62 T63	S57-D60 PolarHBondContact O-N 3.21Å; S57-D60 VanDerWaalsContact O-O 3.04Å; D60-S62 PolarHBondContact O-N 2.69Å; D60-S62 VanDerWaalsContact O-N 3.12Å; D60-S62 VanDerWaalsContact OD1-CB 3.29Å; D60-S62 WeakPolarHBondContact OD1-CB 3.42Å; D60-S62 PolarHBondContact OD1-N 3.2Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; D60-S62 PolarHBondContact OD2-OG 3.22Å; D60-S62 VanDerWaalsContact OD2-OG 3.06Å; D60-T63 HydrophobicContact CB-CG2 3.94Å; D60-T63 WeakPolarHBondContact O-CG2 3.4Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 PolarHBondContact O-OG1 2.83Å
61	P	91.8	Very high	88	Confident	68 Å²	68	77.6 Å²	77.6	44%	0.442	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.5	-179.9	29.6	-35.6	0	0	0	113.7	T63 Y66 Q67	P61-T63 VanDerWaalsContact C-N 3.3Å; P61-Y66 HydrophobicContact CB-CD1 4.12Å; P61-Y66 HydrophobicContact CB-CD2 4.42Å; P61-Y66 HydrophobicContact CB-CE1 3.86Å; P61-Y66 HydrophobicContact CB-CE2 4.15Å; P61-Y66 HydrophobicContact CB-CG 4.43Å; P61-Q67 PolarHBondContact O-NE2 2.99Å
62	S	94	Very high	89.7	Confident	90 Å²	90	74.2 Å²	74.2	63%	0.629	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-7.7	176.4	72.6	0	0	0	0	113.8	D60	D60-S62 PolarHBondContact O-N 2.69Å; D60-S62 VanDerWaalsContact O-N 3.12Å; D60-S62 VanDerWaalsContact OD1-CB 3.29Å; D60-S62 WeakPolarHBondContact OD1-CB 3.42Å; D60-S62 PolarHBondContact OD1-N 3.2Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; D60-S62 PolarHBondContact OD2-OG 3.22Å; D60-S62 VanDerWaalsContact OD2-OG 3.06Å
63	T	94.8	Very high	90.9	Very high	34 Å²	34	71.2 Å²	71.2	21%	0.209	38%	0.376	C	S	.	.	S	Bend	trans	-79.2	146.8	-179.8	73.4	0	0	0	0	112.6	S57 D60 P61 Y65 Y66 Q67	S57-T63 PolarHBondContact O-OG1 3.48Å; D60-T63 HydrophobicContact CB-CG2 3.94Å; D60-T63 WeakPolarHBondContact O-CG2 3.4Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 PolarHBondContact O-OG1 2.83Å; P61-T63 VanDerWaalsContact C-N 3.3Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 2.72Å; T63-Y66 PolarHBondContact O-N 2.92Å; T63-Y66 VanDerWaalsContact OG1-CB 3.27Å; T63-Y66 WeakPolarHBondContact OG1-CB 3.45Å; T63-Y66 PolarHBondContact OG1-N 2.96Å; T63-Q67 WeakPolarHBondContact O-CG 3.33Å; T63-Q67 PolarHBondContact O-N 3.25Å
64	D	95.4	Very high	91.5	Very high	132 Å²	132	70.5 Å²	70.5	71%	0.706	37%	0.368	S	S	*	.	H	α-helix	trans	-58.8	-41.7	177.5	-65.5	-31.3	0	0	0	111.5	Y66 Q67 E68	D64-Y66 PolarHBondContact O-N 3.48Å; D64-Q67 PolarHBondContact O-N 3.43Å; D64-E68 WeakPolarHBondContact O-CB 3.25Å; D64-E68 WeakPolarHBondContact O-CG 3.39Å; D64-E68 PolarHBondContact O-N 3.18Å
65	Y	92.9	Very high	91.9	Very high	55 Å²	55	70.7 Å²	70.7	22%	0.216	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-41.4	-179.7	-176.8	-108.8	0	0	0	112.7	K51 N52 N55 L58 T63 Q67 L69	K51-Y65 PolarHBondContact O-OH 3.5Å; N52-Y65 WeakPolarHBondContact CA-OH 3.39Å; N55-Y65 WeakPolarHBondContact ND2-CE1 3.45Å; L58-Y65 HydrophobicContact CD1-CE1 4.12Å; L58-Y65 HydrophobicContact CD2-CD1 3.58Å; L58-Y65 HydrophobicContact CD2-CE1 3.53Å; L58-Y65 HydrophobicContact CG-CD1 4Å; L58-Y65 HydrophobicContact CG-CE1 3.74Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 2.72Å; Y65-Q67 VanDerWaalsContact C-N 3.34Å; Y65-Q67 PolarHBondContact O-N 3.41Å; Y65-L69 WeakPolarHBondContact O-CB 3.29Å; Y65-L69 PolarHBondContact O-N 3.41Å
66	Y	93.6	Very high	92	Very high	13 Å²	13	72.4 Å²	72.4	5%	0.051	38%	0.377	C	S	.	.	H	α-helix	trans	-59.6	-47.2	174.4	-170.9	-68.9	0	0	0	111	L58 P61 T63 D64 L69 Q70 I92 K93 F94	L58-Y66 WeakPolarHBondContact O-CD2 3.48Å; L58-Y66 WeakPolarHBondContact O-CE2 3.46Å; P61-Y66 HydrophobicContact CB-CD1 4.12Å; P61-Y66 HydrophobicContact CB-CD2 4.42Å; P61-Y66 HydrophobicContact CB-CE1 3.86Å; P61-Y66 HydrophobicContact CB-CE2 4.15Å; P61-Y66 HydrophobicContact CB-CG 4.43Å; T63-Y66 PolarHBondContact O-N 2.92Å; T63-Y66 VanDerWaalsContact OG1-CB 3.27Å; T63-Y66 WeakPolarHBondContact OG1-CB 3.45Å; T63-Y66 PolarHBondContact OG1-N 2.96Å; D64-Y66 PolarHBondContact O-N 3.48Å; Y66-L69 PolarHBondContact O-N 3.14Å; Y66-Q70 VanDerWaalsContact O-CB 3.29Å; Y66-Q70 WeakPolarHBondContact O-CB 3.27Å; Y66-Q70 PolarHBondContact O-N 3.41Å; Y66-I92 PolarHBondContact OH-O 2.87Å; Y66-K93 WeakPolarHBondContact OH-CA 3.39Å; Y66-F94 HydrophobicContact CD1-CE2 4.13Å; Y66-F94 AromaticContact CD2-CD2 3.79Å; Y66-F94 HydrophobicContact CD2-CD2 3.79Å; Y66-F94 HydrophobicContact CD2-CE2 4.18Å; Y66-F94 HydrophobicContact CE1-CD2 4.21Å; Y66-F94 AromaticContact CE1-CE2 3.96Å; Y66-F94 HydrophobicContact CE1-CE2 3.96Å; Y66-F94 AromaticContact CE2-CD2 3.47Å; Y66-F94 HydrophobicContact CE2-CD2 3.47Å; Y66-F94 VanDerWaalsContact CE2-CD2 3.47Å; Y66-F94 HydrophobicContact CE2-CE2 4.04Å; Y66-F94 HydrophobicContact CG-CD2 4.28Å; Y66-F94 HydrophobicContact CG-CE2 4.2Å; Y66-F94 AromaticContact CZ-CD2 3.67Å; Y66-F94 AromaticContact CZ-CE2 3.9Å
67	Q	93.8	Very high	91.9	Very high	91 Å²	91	70 Å²	70	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-68.2	-42.5	-176.3	-67.1	-68.7	-7.5	0	0	112.2	P61 T63 D64 Y65 Q70 R71	P61-Q67 PolarHBondContact O-NE2 2.99Å; T63-Q67 WeakPolarHBondContact O-CG 3.33Å; T63-Q67 PolarHBondContact O-N 3.25Å; D64-Q67 PolarHBondContact O-N 3.43Å; Y65-Q67 VanDerWaalsContact C-N 3.34Å; Y65-Q67 PolarHBondContact O-N 3.41Å; Q67-Q70 PolarHBondContact O-N 3.46Å; Q67-R71 WeakPolarHBondContact O-CB 3.21Å; Q67-R71 PolarHBondContact O-N 3.48Å
68	E	94.5	Very high	91.7	Very high	122 Å²	122	73.2 Å²	73.2	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-59.7	-49.4	174	-75.5	-175.9	-178.6	0	0	111	D64 Q70 R71 D72	D64-E68 WeakPolarHBondContact O-CB 3.25Å; D64-E68 WeakPolarHBondContact O-CG 3.39Å; D64-E68 PolarHBondContact O-N 3.18Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.85Å; E68-R71 WeakPolarHBondContact O-CB 3.29Å; E68-R71 PolarHBondContact O-N 2.87Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-D72 PolarHBondContact O-N 3.06Å
69	L	92.8	Very high	91.3	Very high	23 Å²	23	79.1 Å²	79.1	12%	0.12	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-40.7	179.5	-175.5	61.6	0	0	0	111.8	L58 Y65 Y66 R71 D72 I73 F94	L58-L69 HydrophobicContact CD1-CD2 4.16Å; L58-L69 HydrophobicContact CD2-CD2 3.71Å; Y65-L69 WeakPolarHBondContact O-CB 3.29Å; Y65-L69 PolarHBondContact O-N 3.41Å; Y66-L69 PolarHBondContact O-N 3.14Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 3.35Å; L69-D72 PolarHBondContact O-N 3.28Å; L69-I73 HydrophobicContact CD1-CD1 4.21Å; L69-I73 HydrophobicContact CD1-CG1 4.4Å; L69-I73 HydrophobicContact CG-CD1 3.92Å; L69-I73 WeakPolarHBondContact O-CB 3.43Å; L69-I73 WeakPolarHBondContact O-CD1 3.47Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.4Å; L69-I73 PolarHBondContact O-N 2.89Å; L69-F94 HydrophobicContact CB-CZ 4.39Å; L69-F94 HydrophobicContact CD2-CD1 4.46Å; L69-F94 HydrophobicContact CD2-CE1 3.8Å; L69-F94 HydrophobicContact CD2-CE2 4.33Å; L69-F94 HydrophobicContact CD2-CZ 3.73Å; L69-F94 HydrophobicContact CG-CE1 4.25Å; L69-F94 HydrophobicContact CG-CZ 3.88Å
70	Q	92.6	Very high	90.9	Very high	53 Å²	53	75.4 Å²	75.4	25%	0.248	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-41.3	175.2	-168.7	-177.9	-85.1	0	0	111.5	Y66 Q67 E68 S74 I92	Y66-Q70 VanDerWaalsContact O-CB 3.29Å; Y66-Q70 WeakPolarHBondContact O-CB 3.27Å; Y66-Q70 PolarHBondContact O-N 3.41Å; Q67-Q70 PolarHBondContact O-N 3.46Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.85Å; Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.42Å; Q70-S74 PolarHBondContact O-OG 2.86Å; Q70-I92 HydrophobicContact CG-CB 4.06Å; Q70-I92 HydrophobicContact CG-CD1 3.59Å; Q70-I92 HydrophobicContact CG-CG1 4.35Å
71	R	92.7	Very high	90.5	Very high	161 Å²	161	76.1 Å²	76.1	61%	0.608	38%	0.379	S	S	*	.	H	α-helix	trans	-66.1	-48.5	176.4	179.7	179.1	174	179.4	-2.5	111.5	Q67 E68 L69 I73 S74 E75	Q67-R71 WeakPolarHBondContact O-CB 3.21Å; Q67-R71 PolarHBondContact O-N 3.48Å; E68-R71 WeakPolarHBondContact O-CB 3.29Å; E68-R71 PolarHBondContact O-N 2.87Å; E68-R71 VanDerWaalsContact O-N 3.14Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 3.35Å; R71-I73 VanDerWaalsContact C-N 3.29Å; R71-I73 PolarHBondContact O-N 3.36Å; R71-S74 WeakPolarHBondContact O-CA 3.23Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 3.04Å; R71-E75 HydrophobicContact CG-CG 4.41Å; R71-E75 IonicContact CZ-OE1 3.54Å; R71-E75 IonicContact NE-OE1 2.92Å; R71-E75 PolarHBondContact NE-OE1 2.97Å; R71-E75 IonicContact NH2-OE1 3.25Å; R71-E75 PolarHBondContact NH2-OE1 2.94Å; R71-E75 PolarHBondContact O-N 3.45Å
72	D	92.9	Very high	89.8	Confident	88 Å²	88	81 Å²	81	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-44	179.3	-76	-5.4	0	0	0	111.2	E68 L69 E75 M76	E68-D72 PolarHBondContact O-N 3.06Å; L69-D72 PolarHBondContact O-N 3.28Å; D72-E75 PolarHBondContact O-N 3.21Å; D72-M76 WeakPolarHBondContact O-CB 3.46Å; D72-M76 PolarHBondContact O-N 2.87Å
73	I	89.4	Confident	88.4	Confident	40 Å²	40	85.1 Å²	85.1	21%	0.205	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-43.2	175	-66.8	166.2	0	0	0	110.6	L69 R71 E75 M76 F77 L89 I92 F94	L69-I73 HydrophobicContact CD1-CD1 4.21Å; L69-I73 HydrophobicContact CD1-CG1 4.4Å; L69-I73 HydrophobicContact CG-CD1 3.92Å; L69-I73 WeakPolarHBondContact O-CB 3.43Å; L69-I73 WeakPolarHBondContact O-CD1 3.47Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.4Å; L69-I73 PolarHBondContact O-N 2.89Å; R71-I73 VanDerWaalsContact C-N 3.29Å; R71-I73 PolarHBondContact O-N 3.36Å; I73-E75 PolarHBondContact O-N 3.34Å; I73-M76 WeakPolarHBondContact O-CB 3.42Å; I73-M76 PolarHBondContact O-N 3.35Å; I73-F77 HydrophobicContact CG2-CD2 3.92Å; I73-F77 HydrophobicContact CG2-CE2 3.98Å; I73-F77 WeakPolarHBondContact O-CD2 3.06Å; I73-F77 PolarHBondContact O-N 2.98Å; I73-L89 HydrophobicContact CG2-CD1 3.81Å; I73-I92 HydrophobicContact CG2-CD1 4.38Å; I73-F94 HydrophobicContact CD1-CE1 3.66Å; I73-F94 HydrophobicContact CD1-CZ 3.76Å
74	S	90.1	Very high	87	Confident	36 Å²	36	87.9 Å²	87.9	25%	0.252	44%	0.438	S	S	.	.	H	α-helix	trans	-62.3	-43.5	178.7	-60.9	0	0	0	0	111.9	Q70 R71 F77 L78	Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.42Å; Q70-S74 PolarHBondContact O-OG 2.86Å; R71-S74 WeakPolarHBondContact O-CA 3.23Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 3.04Å; S74-F77 PolarHBondContact O-N 3.02Å; S74-L78 WeakPolarHBondContact O-CB 3.1Å; S74-L78 PolarHBondContact O-N 3.17Å
75	E	89.9	Confident	86.2	Confident	85 Å²	85	84.8 Å²	84.8	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-39.3	176.1	-70.4	-171	-169.3	0	0	111.6	R71 D72 I73 L78 Q79	R71-E75 HydrophobicContact CG-CG 4.41Å; R71-E75 IonicContact CZ-OE1 3.54Å; R71-E75 IonicContact NE-OE1 2.92Å; R71-E75 PolarHBondContact NE-OE1 2.97Å; R71-E75 IonicContact NH2-OE1 3.25Å; R71-E75 PolarHBondContact NH2-OE1 2.94Å; R71-E75 PolarHBondContact O-N 3.45Å; D72-E75 PolarHBondContact O-N 3.21Å; I73-E75 PolarHBondContact O-N 3.34Å; E75-L78 PolarHBondContact O-N 3.03Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 2.66Å; E75-Q79 VanDerWaalsContact O-N 3.13Å
76	M	87.8	Confident	85.8	Confident	92 Å²	92	84.7 Å²	84.7	45%	0.453	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-47.8	174.4	-173.1	-170.1	81.2	0	0	111.6	D72 I73 L78 Q79 I80	D72-M76 WeakPolarHBondContact O-CB 3.46Å; D72-M76 PolarHBondContact O-N 2.87Å; I73-M76 WeakPolarHBondContact O-CB 3.42Å; I73-M76 PolarHBondContact O-N 3.35Å; M76-L78 VanDerWaalsContact C-N 3.35Å; M76-L78 PolarHBondContact O-N 3.16Å; M76-Q79 WeakPolarHBondContact O-CB 3.35Å; M76-Q79 PolarHBondContact O-N 3.01Å; M76-I80 HydrophobicContact CE-CD1 4.19Å; M76-I80 HydrophobicContact CG-CD1 4.19Å; M76-I80 WeakPolarHBondContact O-CG1 3.2Å; M76-I80 PolarHBondContact O-N 2.76Å; M76-I80 VanDerWaalsContact O-N 3.14Å
77	F	86.1	Confident	85.4	Confident	34 Å²	34	92.5 Å²	92.5	15%	0.149	48%	0.48	C	S	.	.	H	α-helix	trans	-65.7	-37.6	178.4	-89.1	-107.5	0	0	0	112	L14 I73 S74 Q79 I80 Y81 F86 L89	L14-F77 HydrophobicContact CD2-CZ 4.09Å; I73-F77 HydrophobicContact CG2-CD2 3.92Å; I73-F77 HydrophobicContact CG2-CE2 3.98Å; I73-F77 WeakPolarHBondContact O-CD2 3.06Å; I73-F77 PolarHBondContact O-N 2.98Å; S74-F77 PolarHBondContact O-N 3.02Å; F77-Q79 PolarHBondContact O-N 3.42Å; F77-I80 PolarHBondContact O-N 3.23Å; F77-I80 VanDerWaalsContact O-N 3.1Å; F77-Y81 HydrophobicContact CB-CD2 4.37Å; F77-Y81 AromaticContact CD1-CD2 3.85Å; F77-Y81 HydrophobicContact CD1-CD2 3.85Å; F77-Y81 AromaticContact CD1-CE2 3.41Å; F77-Y81 HydrophobicContact CD1-CE2 3.41Å; F77-Y81 VanDerWaalsContact CD1-CE2 3.41Å; F77-Y81 AromaticContact CE1-CE2 3.85Å; F77-Y81 HydrophobicContact CE1-CE2 3.85Å; F77-Y81 HydrophobicContact CG-CE2 4.36Å; F77-Y81 VanDerWaalsContact O-CD2 3.29Å; F77-Y81 WeakPolarHBondContact O-CD2 3.43Å; F77-Y81 PolarHBondContact O-N 2.95Å; F77-F86 HydrophobicContact CB-CE1 4.21Å; F77-F86 HydrophobicContact CB-CZ 3.8Å; F77-L89 HydrophobicContact CB-CD1 3.97Å; F77-L89 HydrophobicContact CB-CD2 4.48Å; F77-L89 HydrophobicContact CB-CG 4.29Å; F77-L89 HydrophobicContact CD1-CD1 4.22Å; F77-L89 HydrophobicContact CD1-CD2 3.93Å; F77-L89 HydrophobicContact CD2-CD1 3.8Å; F77-L89 HydrophobicContact CE1-CD2 4.41Å; F77-L89 HydrophobicContact CE2-CD1 4.32Å; F77-L89 HydrophobicContact CG-CD1 3.74Å; F77-L89 HydrophobicContact CG-CD2 4.22Å; F77-L89 HydrophobicContact CG-CG 4.32Å
78	L	85.3	Confident	84.9	Confident	104 Å²	104	90.1 Å²	90.1	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-33.9	174.9	-172.2	62.8	0	0	0	112.4	S74 E75 M76 F86	S74-L78 WeakPolarHBondContact O-CB 3.1Å; S74-L78 PolarHBondContact O-N 3.17Å; E75-L78 PolarHBondContact O-N 3.03Å; M76-L78 VanDerWaalsContact C-N 3.35Å; M76-L78 PolarHBondContact O-N 3.16Å; L78-F86 HydrophobicContact CB-CE1 4.46Å; L78-F86 HydrophobicContact CD1-CD1 4.04Å; L78-F86 HydrophobicContact CD1-CE1 4.38Å
79	Q	82.9	Confident	84.5	Confident	131 Å²	131	87.2 Å²	87.2	61%	0.612	47%	0.467	S	S	*	.	H	α-helix	trans	-71.4	-33.8	174	-70.4	177.5	53.1	0	0	113.2	E75 M76 F77 K82	E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 2.66Å; E75-Q79 VanDerWaalsContact O-N 3.13Å; M76-Q79 WeakPolarHBondContact O-CB 3.35Å; M76-Q79 PolarHBondContact O-N 3.01Å; F77-Q79 PolarHBondContact O-N 3.42Å; Q79-K82 VanDerWaalsContact O-CG 3.25Å; Q79-K82 WeakPolarHBondContact O-CG 3.13Å
80	I	84	Confident	84.2	Confident	57 Å²	57	90.8 Å²	90.8	29%	0.292	49%	0.494	S	S	.	.	H	α-helix	trans	-73.7	-45	177.9	-65.1	164.2	0	0	0	110.3	F10 M76 F77 K82	F10-I80 HydrophobicContact CE2-CG2 3.69Å; F10-I80 HydrophobicContact CZ-CG2 4.14Å; M76-I80 HydrophobicContact CE-CD1 4.19Å; M76-I80 HydrophobicContact CG-CD1 4.19Å; M76-I80 WeakPolarHBondContact O-CG1 3.2Å; M76-I80 PolarHBondContact O-N 2.76Å; M76-I80 VanDerWaalsContact O-N 3.14Å; F77-I80 PolarHBondContact O-N 3.23Å; F77-I80 VanDerWaalsContact O-N 3.1Å; I80-K82 PolarHBondContact O-N 2.73Å
81	Y	83.8	Confident	84	Confident	90 Å²	90	95.6 Å²	95.6	35%	0.353	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	48.4	-174.6	-62.7	-83.7	0	0	0	112.3	F77 Q83 F86	F77-Y81 HydrophobicContact CB-CD2 4.37Å; F77-Y81 AromaticContact CD1-CD2 3.85Å; F77-Y81 HydrophobicContact CD1-CD2 3.85Å; F77-Y81 AromaticContact CD1-CE2 3.41Å; F77-Y81 HydrophobicContact CD1-CE2 3.41Å; F77-Y81 VanDerWaalsContact CD1-CE2 3.41Å; F77-Y81 AromaticContact CE1-CE2 3.85Å; F77-Y81 HydrophobicContact CE1-CE2 3.85Å; F77-Y81 HydrophobicContact CG-CE2 4.36Å; F77-Y81 VanDerWaalsContact O-CD2 3.29Å; F77-Y81 WeakPolarHBondContact O-CD2 3.43Å; F77-Y81 PolarHBondContact O-N 2.95Å; Y81-Q83 PolarHBondContact O-N 3.01Å; Y81-F86 HydrophobicContact CD2-CD2 4.31Å; Y81-F86 HydrophobicContact CD2-CE2 4.37Å; Y81-F86 HydrophobicContact CG-CB 4.45Å; Y81-F86 HydrophobicContact CG-CD2 4.17Å; Y81-F86 HydrophobicContact CG-CG 4.26Å
82	K	76.1	Confident	83.7	Confident	169 Å²	169	89.5 Å²	89.5	74%	0.735	50%	0.501	S	S	*	.			trans	-56.2	-14.9	175.2	-71.4	-84.9	-164.6	-174.9	0	114.2	Q79 I80	Q79-K82 VanDerWaalsContact O-CG 3.25Å; Q79-K82 WeakPolarHBondContact O-CG 3.13Å; I80-K82 PolarHBondContact O-N 2.73Å
83	Q	65.6	Low	83.6	Confident	177 Å²	177	93.4 Å²	93.4	83%	0.827	51%	0.514	S	S	*	.	S	Bend	trans	-79.7	127.5	179.5	-58.5	-157.1	82.5	0	0	109.7	Y81 G85 F86	Y81-Q83 PolarHBondContact O-N 3.01Å; Q83-G85 PolarHBondContact O-N 2.7Å; Q83-F86 PolarHBondContact O-N 2.95Å
84	G	64.7	Low	83.6	Confident	93 Å²	93	93.4 Å²	93.4	96%	0.959	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	25.5	-161.4	0	0	0	0	0	119.5
85	G	78.8	Confident	83.4	Confident	67 Å²	67	95.7 Å²	95.7	69%	0.691	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-6.3	170.7	0	0	0	0	0	114.5	Q83 L87	Q83-G85 PolarHBondContact O-N 2.7Å; G85-L87 PolarHBondContact O-N 2.83Å
86	F	84.3	Confident	82.8	Confident	53 Å²	53	102.5 Å²	102.5	23%	0.232	56%	0.56	C	S	.	*			trans	-82.7	117.3	178.8	-177.6	-111.6	0	0	0	111.3	F77 L78 Y81 Q83 G88 L89	F77-F86 HydrophobicContact CB-CE1 4.21Å; F77-F86 HydrophobicContact CB-CZ 3.8Å; L78-F86 HydrophobicContact CB-CE1 4.46Å; L78-F86 HydrophobicContact CD1-CD1 4.04Å; L78-F86 HydrophobicContact CD1-CE1 4.38Å; Y81-F86 HydrophobicContact CD2-CD2 4.31Å; Y81-F86 HydrophobicContact CD2-CE2 4.37Å; Y81-F86 HydrophobicContact CG-CB 4.45Å; Y81-F86 HydrophobicContact CG-CD2 4.17Å; Y81-F86 HydrophobicContact CG-CG 4.26Å; Q83-F86 PolarHBondContact O-N 2.95Å; F86-G88 VanDerWaalsContact CZ-C 3.46Å; F86-G88 VanDerWaalsContact CZ-CA 3.5Å; F86-L89 HydrophobicContact CE2-CD2 3.86Å; F86-L89 HydrophobicContact CE2-CG 4.49Å; F86-L89 HydrophobicContact CZ-CD2 3.78Å; F86-L89 HydrophobicContact CZ-CG 3.92Å
87	L	84.8	Confident	82.6	Confident	177 Å²	177	103.1 Å²	103.1	93%	0.927	57%	0.565	S	S	*	*			trans	-95.1	-1.5	-177.6	-57.9	179.3	0	0	0	113.2	G85	G85-L87 PolarHBondContact O-N 2.83Å
88	G	83	Confident	82.4	Confident	41 Å²	41	106.7 Å²	106.7	42%	0.423	59%	0.587	S	S	.	*			trans	110.4	177.7	-175.4	0	0	0	0	0	113.3	F86	F86-G88 VanDerWaalsContact CZ-C 3.46Å; F86-G88 VanDerWaalsContact CZ-CA 3.5Å
89	L	86.8	Confident	82.2	Confident	60 Å²	60	106.8 Å²	106.8	31%	0.314	59%	0.59	S	S	.	*			trans	-99.9	147.8	171.2	-56.1	179.1	0	0	0	108.9	I73 F77 F86 I92	I73-L89 HydrophobicContact CG2-CD1 3.81Å; F77-L89 HydrophobicContact CB-CD1 3.97Å; F77-L89 HydrophobicContact CB-CD2 4.48Å; F77-L89 HydrophobicContact CB-CG 4.29Å; F77-L89 HydrophobicContact CD1-CD1 4.22Å; F77-L89 HydrophobicContact CD1-CD2 3.93Å; F77-L89 HydrophobicContact CD2-CD1 3.8Å; F77-L89 HydrophobicContact CE1-CD2 4.41Å; F77-L89 HydrophobicContact CE2-CD1 4.32Å; F77-L89 HydrophobicContact CG-CD1 3.74Å; F77-L89 HydrophobicContact CG-CD2 4.22Å; F77-L89 HydrophobicContact CG-CG 4.32Å; F86-L89 HydrophobicContact CE2-CD2 3.86Å; F86-L89 HydrophobicContact CE2-CG 4.49Å; F86-L89 HydrophobicContact CZ-CD2 3.78Å; F86-L89 HydrophobicContact CZ-CG 3.92Å; L89-I92 HydrophobicContact CB-CD1 3.72Å; L89-I92 HydrophobicContact CB-CG1 4.07Å; L89-I92 HydrophobicContact CD1-CD1 3.78Å; L89-I92 HydrophobicContact CD1-CG1 4.47Å; L89-I92 HydrophobicContact CG-CD1 4.41Å
90	S	87.3	Confident	82.2	Confident	99 Å²	99	105.4 Å²	105.4	69%	0.692	59%	0.588	S	S	*	*			trans	-137.4	150.5	175.6	63.6	0	0	0	0	110.2	I92	S90-I92 PolarHBondContact O-N 2.87Å
91	N	86.9	Confident	82	Confident	154 Å²	154	108.4 Å²	108.4	82%	0.824	61%	0.607	S	S	*	*			trans	52	40.4	177.2	-56.7	-65.3	0	0	0	113.8	K93	N91-K93 PolarHBondContact O-N 2.92Å
92	I	87.3	Confident	81.9	Confident	33 Å²	33	109.7 Å²	109.7	17%	0.169	62%	0.624	C	S	.	*			trans	-59.2	124.3	171.1	-64	165.2	0	0	0	106.8	Y66 Q70 I73 L89 S90 F94	Y66-I92 PolarHBondContact OH-O 2.87Å; Q70-I92 HydrophobicContact CG-CB 4.06Å; Q70-I92 HydrophobicContact CG-CD1 3.59Å; Q70-I92 HydrophobicContact CG-CG1 4.35Å; I73-I92 HydrophobicContact CG2-CD1 4.38Å; L89-I92 HydrophobicContact CB-CD1 3.72Å; L89-I92 HydrophobicContact CB-CG1 4.07Å; L89-I92 HydrophobicContact CD1-CD1 3.78Å; L89-I92 HydrophobicContact CD1-CG1 4.47Å; L89-I92 HydrophobicContact CG-CD1 4.41Å; S90-I92 PolarHBondContact O-N 2.87Å; I92-F94 HydrophobicContact CG2-CE1 4.08Å; I92-F94 HydrophobicContact CG2-CE2 4.13Å; I92-F94 HydrophobicContact CG2-CZ 3.75Å
93	K	91.4	Very high	82.3	Confident	169 Å²	169	105.4 Å²	105.4	74%	0.735	62%	0.616	S	S	*	*			trans	-126.5	127.1	177	-166.8	178.6	74.8	168.9	0	109.1	Y66 N91	Y66-K93 WeakPolarHBondContact OH-CA 3.39Å; N91-K93 PolarHBondContact O-N 2.92Å
94	F	89.7	Confident	83.6	Confident	41 Å²	41	99.9 Å²	99.9	18%	0.18	60%	0.6	C	S	.	*			trans	-90.3	137.3	173.3	-53.7	-77	0	0	0	109.2	F54 L58 Y66 L69 I73 I92	F54-F94 HydrophobicContact CE2-CB 3.94Å; L58-F94 HydrophobicContact CB-CB 4Å; L58-F94 HydrophobicContact CB-CD2 4.38Å; L58-F94 HydrophobicContact CB-CG 4.36Å; L58-F94 HydrophobicContact CD1-CG 4.49Å; L58-F94 HydrophobicContact CD2-CD2 3.96Å; L58-F94 HydrophobicContact CD2-CE2 4.21Å; L58-F94 HydrophobicContact CD2-CG 4.36Å; Y66-F94 HydrophobicContact CD1-CE2 4.13Å; Y66-F94 AromaticContact CD2-CD2 3.79Å; Y66-F94 HydrophobicContact CD2-CD2 3.79Å; Y66-F94 HydrophobicContact CD2-CE2 4.18Å; Y66-F94 HydrophobicContact CE1-CD2 4.21Å; Y66-F94 AromaticContact CE1-CE2 3.96Å; Y66-F94 HydrophobicContact CE1-CE2 3.96Å; Y66-F94 AromaticContact CE2-CD2 3.47Å; Y66-F94 HydrophobicContact CE2-CD2 3.47Å; Y66-F94 VanDerWaalsContact CE2-CD2 3.47Å; Y66-F94 HydrophobicContact CE2-CE2 4.04Å; Y66-F94 HydrophobicContact CG-CD2 4.28Å; Y66-F94 HydrophobicContact CG-CE2 4.2Å; Y66-F94 AromaticContact CZ-CD2 3.67Å; Y66-F94 AromaticContact CZ-CE2 3.9Å; L69-F94 HydrophobicContact CB-CZ 4.39Å; L69-F94 HydrophobicContact CD2-CD1 4.46Å; L69-F94 HydrophobicContact CD2-CE1 3.8Å; L69-F94 HydrophobicContact CD2-CE2 4.33Å; L69-F94 HydrophobicContact CD2-CZ 3.73Å; L69-F94 HydrophobicContact CG-CE1 4.25Å; L69-F94 HydrophobicContact CG-CZ 3.88Å; I73-F94 HydrophobicContact CD1-CE1 3.66Å; I73-F94 HydrophobicContact CD1-CZ 3.76Å; I92-F94 HydrophobicContact CG2-CE1 4.08Å; I92-F94 HydrophobicContact CG2-CE2 4.13Å; I92-F94 HydrophobicContact CG2-CZ 3.75Å
95	S	84.7	Confident	85.2	Confident	83 Å²	83	100.5 Å²	100.5	58%	0.58	57%	0.57	S	S	*	*			trans	-140.4	150.9	174.8	58	0	0	0	0	109	F54	F54-S95 VanDerWaalsContact CE2-C 3.5Å
96	E	77.7	Confident	85.8	Confident	229 Å²	229	103.5 Å²	103.5	100%	1.07	56%	0.559	S	S	*	*			trans	-63.4	0	169.3	-163.3	-175.5	135	0	0	111.7	F54	F54-E96 HydrophobicContact CD1-CB 4.42Å; F54-E96 HydrophobicContact CE1-CB 4.14Å; F54-E96 HydrophobicContact CZ-CB 4.47Å

Retrieved 96 of 96 residues in 189.7 ms (Link to these results)

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