A0A061HWV0_CRIGR Loading...

Matrix Gla protein

Associates with the organic matrix of bone and cartilage. Thought to act as an inhibitor of bone formation.

AlphaFold DB , UniProt , Accession A0A061HWV0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mgp, Length 103 aa.

						>A0A061HWV0_CRIGR|A0A061HWV0|Mgp
MKSLLPLAILAALAVAALCYESHESMESYEISPFINRRNANTFMSPQQRWRAKAQERVRERNKPAYEINREACDDYKLCERYAMVYGYNAAYNRYFRQRRGAK
					

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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	59.3	Low	84.9	Confident	199 Å²	199	111.2 Å²	111.2	98%	0.98	61%	0.61	S	S	*	*				0	-26.1	0	-56	-154.1	-63.5	0	0	114.4	S3 L4	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.31Å; M1-L4 PolarHBondContact O-N 3.3Å
2	K	70.8	Confident	85.4	Confident	205 Å²	205	107.1 Å²	107.1	89%	0.891	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-24.9	-177.4	-65.3	162.4	179.1	175.9	0	114.8	P6	K2-P6 VanDerWaalsContact O-CD 3.27Å; K2-P6 WeakPolarHBondContact O-CD 3.27Å
3	S	79.4	Confident	85.9	Confident	72 Å²	72	107.2 Å²	107.2	50%	0.503	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-13.1	179.2	49.9	0	0	0	0	114.5	M1 P6 L7	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.31Å; S3-P6 VanDerWaalsContact C-CD 3.5Å; S3-P6 WeakPolarHBondContact O-CD 3.49Å; S3-P6 VanDerWaalsContact O-CG 3.32Å; S3-P6 WeakPolarHBondContact O-CG 3.45Å; S3-L7 WeakPolarHBondContact O-CB 3.29Å; S3-L7 WeakPolarHBondContact O-CD1 3.36Å; S3-L7 PolarHBondContact O-N 3.43Å
4	L	84.3	Confident	86.1	Confident	111 Å²	111	103 Å²	103	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-73.5	-38	-178	-67.6	173.1	0	0	0	111.8	M1 L7 A8	M1-L4 PolarHBondContact O-N 3.3Å; L4-L7 PolarHBondContact O-N 3.43Å; L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 3.09Å
5	L	88.8	Confident	86.2	Confident	129 Å²	129	102.3 Å²	102.3	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-61.2	-51.4	178.2	-150.3	97.3	0	0	0	112.6	L7 A8 I9	L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.43Å; L5-A8 PolarHBondContact O-N 3.32Å; L5-I9 HydrophobicContact CD2-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.46Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 2.96Å; L5-I9 VanDerWaalsContact O-N 3.09Å
6	P	90.2	Very high	86.1	Confident	67 Å²	67	99.5 Å²	99.5	44%	0.435	58%	0.577	S	S	.	*	H	α-helix	trans	-66.5	-33.3	178	25	-34.3	0	0	0	112.8	K2 S3 I9 L10	K2-P6 VanDerWaalsContact O-CD 3.27Å; K2-P6 WeakPolarHBondContact O-CD 3.27Å; S3-P6 VanDerWaalsContact C-CD 3.5Å; S3-P6 WeakPolarHBondContact O-CD 3.49Å; S3-P6 VanDerWaalsContact O-CG 3.32Å; S3-P6 WeakPolarHBondContact O-CG 3.45Å; P6-I9 PolarHBondContact O-N 3.31Å; P6-L10 WeakPolarHBondContact O-CB 3.4Å; P6-L10 PolarHBondContact O-N 2.95Å
7	L	90.6	Very high	85.9	Confident	112 Å²	112	98.2 Å²	98.2	59%	0.586	58%	0.58	S	S	*	*	H	α-helix	trans	-64.5	-42.5	174.5	-95.4	158.3	0	0	0	112.3	S3 L4 L5 L10 A11	S3-L7 WeakPolarHBondContact O-CB 3.29Å; S3-L7 WeakPolarHBondContact O-CD1 3.36Å; S3-L7 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.43Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.43Å; L7-L10 PolarHBondContact O-N 3.4Å; L7-A11 WeakPolarHBondContact O-CB 3.45Å; L7-A11 PolarHBondContact O-N 3.09Å
8	A	91.8	Very high	85.6	Confident	61 Å²	61	100.7 Å²	100.7	50%	0.504	59%	0.59	S	S	.	*	H	α-helix	trans	-65.5	-39	176.8	0	0	0	0	0	112	L4 L5 A11 A12	L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 3.09Å; L5-A8 PolarHBondContact O-N 3.32Å; A8-A11 PolarHBondContact O-N 3.36Å; A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.93Å
9	I	93.3	Very high	84.9	Confident	94 Å²	94	99.2 Å²	99.2	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-65	-44.8	176	-66.2	164.8	0	0	0	110.6	L5 P6 A11 A12 L13	L5-I9 HydrophobicContact CD2-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.46Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 2.96Å; L5-I9 VanDerWaalsContact O-N 3.09Å; P6-I9 PolarHBondContact O-N 3.31Å; I9-A11 VanDerWaalsContact C-N 3.34Å; I9-A11 PolarHBondContact O-N 3.47Å; I9-A12 PolarHBondContact O-N 2.97Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.4Å
10	L	93.8	Very high	84.2	Confident	118 Å²	118	104.5 Å²	104.5	62%	0.618	60%	0.595	S	S	*	*	H	α-helix	trans	-60.2	-43.2	175.3	-97.4	161.5	0	0	0	112.2	P6 L7 L13 A14	P6-L10 WeakPolarHBondContact O-CB 3.4Å; P6-L10 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.3Å
11	A	91.9	Very high	83	Confident	55 Å²	55	107.3 Å²	107.3	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-63.2	-44.1	176.8	0	0	0	0	0	111.8	L7 A8 I9 L13 A14 V15	L7-A11 WeakPolarHBondContact O-CB 3.45Å; L7-A11 PolarHBondContact O-N 3.09Å; A8-A11 PolarHBondContact O-N 3.36Å; I9-A11 VanDerWaalsContact C-N 3.34Å; I9-A11 PolarHBondContact O-N 3.47Å; A11-L13 PolarHBondContact O-N 2.89Å; A11-A14 PolarHBondContact O-N 2.94Å; A11-V15 WeakPolarHBondContact O-CG2 3.05Å; A11-V15 PolarHBondContact O-N 3.49Å
12	A	90.9	Very high	82.9	Confident	62 Å²	62	101.4 Å²	101.4	51%	0.512	58%	0.582	S	S	.	*	H	α-helix	trans	-63.3	-40.8	177.2	0	0	0	0	0	112.3	A8 I9 V15 A16	A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.93Å; I9-A12 PolarHBondContact O-N 2.97Å; A12-V15 PolarHBondContact O-N 3.41Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.41Å
13	L	91.4	Very high	82.2	Confident	109 Å²	109	97.2 Å²	97.2	57%	0.571	57%	0.565	S	S	*	*	H	α-helix	trans	-65.3	-39.7	175.3	-73.1	171.1	0	0	0	112.2	I9 L10 A11 A16 A17	I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 2.95Å; A11-L13 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 2.99Å; L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.44Å
14	A	89.6	Confident	81.1	Confident	48 Å²	48	102.5 Å²	102.5	40%	0.397	58%	0.582	S	S	.	*	H	α-helix	trans	-64.8	-42.9	176.1	0	0	0	0	0	111.8	L10 A11 A17 L18	L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.3Å; A11-A14 PolarHBondContact O-N 2.94Å; A14-A17 PolarHBondContact O-N 2.78Å; A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 WeakPolarHBondContact O-CG 3.04Å; A14-L18 PolarHBondContact O-N 3.42Å
15	V	87.7	Confident	79.7	Confident	92 Å²	92	102.4 Å²	102.4	56%	0.558	59%	0.59	S	S	*	*	H	α-helix	trans	-63.1	-44.7	174.7	172.9	0	0	0	0	110.9	A11 A12 C19	A11-V15 WeakPolarHBondContact O-CG2 3.05Å; A11-V15 PolarHBondContact O-N 3.49Å; A12-V15 PolarHBondContact O-N 3.41Å; V15-C19 WeakPolarHBondContact O-CB 3.2Å; V15-C19 PolarHBondContact O-N 3.49Å; V15-C19 PolarHBondContact O-SG 3.27Å; V15-C19 VanDerWaalsContact O-SG 3.37Å
16	A	84.1	Confident	78	Confident	58 Å²	58	101.8 Å²	101.8	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-61.3	-47.7	177.2	0	0	0	0	0	111.5	A12 L13 L18 Y20	A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.41Å; L13-A16 PolarHBondContact O-N 2.99Å; A16-L18 PolarHBondContact O-N 2.96Å; A16-Y20 WeakPolarHBondContact O-CB 3.44Å; A16-Y20 PolarHBondContact O-N 3.45Å; A16-Y20 VanDerWaalsContact O-N 3.09Å
17	A	83.1	Confident	76.3	Confident	77 Å²	77	106.8 Å²	106.8	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-67.8	-36.3	-178.2	0	0	0	0	0	113.5	L13 A14	L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.44Å; A14-A17 PolarHBondContact O-N 2.78Å
18	L	79.9	Confident	74.6	Confident	143 Å²	143	105.7 Å²	105.7	75%	0.749	61%	0.605	S	S	*	*	H	α-helix	trans	-88.4	-25.8	-176.5	-62.2	175	0	0	0	113.3	A14 A16	A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 WeakPolarHBondContact O-CG 3.04Å; A14-L18 PolarHBondContact O-N 3.42Å; A16-L18 PolarHBondContact O-N 2.96Å
19	C	72.1	Confident	72.9	Confident	72 Å²	72	112.2 Å²	112.2	49%	0.486	62%	0.618	S	S	.	*	H	α-helix	trans	-101.6	-10.5	-178	-56.5	0	0	0	0	113.9	V15 E21 S22	V15-C19 WeakPolarHBondContact O-CB 3.2Å; V15-C19 PolarHBondContact O-N 3.49Å; V15-C19 PolarHBondContact O-SG 3.27Å; V15-C19 VanDerWaalsContact O-SG 3.37Å; C19-E21 PolarHBondContact O-N 3.24Å; C19-S22 PolarHBondContact O-N 3.37Å; C19-S22 PolarHBondContact O-OG 2.88Å
20	Y	70.6	Confident	71.2	Confident	206 Å²	206	113.9 Å²	113.9	81%	0.808	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	179	-178.6	-103.5	0	0	0	113.2	A16	A16-Y20 WeakPolarHBondContact O-CB 3.44Å; A16-Y20 PolarHBondContact O-N 3.45Å; A16-Y20 VanDerWaalsContact O-N 3.09Å
21	E	58.7	Low	69.7	Low	163 Å²	163	111.3 Å²	111.3	76%	0.762	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	30	-175.5	-147	135.3	-144.4	0	0	113.1	C19 H23	C19-E21 PolarHBondContact O-N 3.24Å; E21-H23 PolarHBondContact O-N 2.9Å
22	S	58.1	Low	68.4	Low	75 Å²	75	111.3 Å²	111.3	52%	0.524	61%	0.606	S	S	.	*			trans	-76	63	170.6	-40.2	0	0	0	0	110.2	C19 E24	C19-S22 PolarHBondContact O-N 3.37Å; C19-S22 PolarHBondContact O-OG 2.88Å; S22-E24 PolarHBondContact O-N 2.95Å
23	H	55.3	Low	67.3	Low	117 Å²	117	111.7 Å²	111.7	54%	0.542	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-73.8	4.4	177.8	-125.6	64.1	0	0	0	113.3	E21 S25 M26	E21-H23 PolarHBondContact O-N 2.9Å; H23-S25 PolarHBondContact O-N 3.19Å; H23-M26 WeakPolarHBondContact NE2-CE 3.27Å; H23-M26 PolarHBondContact NE2-SD 3.18Å; H23-M26 PolarHBondContact O-N 2.92Å
24	E	57.3	Low	66.4	Low	183 Å²	183	115 Å²	115	86%	0.855	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-59.1	-16.7	180	-69.2	-151.6	139.8	0	0	114.1	S22	S22-E24 PolarHBondContact O-N 2.95Å
25	S	55	Low	65.7	Low	109 Å²	109	117.2 Å²	117.2	76%	0.762	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-85.8	-5.7	174.9	54.6	0	0	0	0	114.4	H23	H23-S25 PolarHBondContact O-N 3.19Å
26	M	52.2	Low	65.2	Low	116 Å²	116	114.2 Å²	114.2	57%	0.571	60%	0.599	S	S	*	*	S	Bend	trans	-103.4	3.3	-178.7	-146.4	-177.4	73.4	0	0	114.1	H23	H23-M26 WeakPolarHBondContact NE2-CE 3.27Å; H23-M26 PolarHBondContact NE2-SD 3.18Å; H23-M26 PolarHBondContact O-N 2.92Å
27	E	54.4	Low	64.7	Low	172 Å²	172	117.7 Å²	117.7	80%	0.804	60%	0.6	S	S	*	*	S	Bend	trans	-78.5	-14.3	-179.5	-77	-80.4	126.4	0	0	113.8	Y29	E27-Y29 PolarHBondContact O-N 3.18Å
28	S	55.3	Low	64.4	Low	89 Å²	89	119.1 Å²	119.1	62%	0.622	59%	0.588	S	S	*	*			trans	-96.7	60.9	177.3	59.1	0	0	0	0	112	E30	S28-E30 PolarHBondContact O-N 2.87Å
29	Y	55.6	Low	64.4	Low	198 Å²	198	116.6 Å²	116.6	78%	0.776	58%	0.576	S	S	*	*			trans	-72.8	45.5	161.8	-133.5	-86.4	0	0	0	110.8	E27 I31	E27-Y29 PolarHBondContact O-N 3.18Å; Y29-I31 HydrophobicContact CD1-CD1 4.48Å; Y29-I31 HydrophobicContact CD1-CG1 4.13Å; Y29-I31 HydrophobicContact CE1-CG1 4.41Å; Y29-I31 PolarHBondContact O-N 3.44Å; Y29-I31 VanDerWaalsContact O-N 3.08Å
30	E	59.1	Low	64.8	Low	129 Å²	129	115.6 Å²	115.6	60%	0.603	57%	0.572	S	S	*	*			trans	-74.6	98.6	169.9	-67.6	-172.1	171.8	0	0	106.6	S28 S32 P33	S28-E30 PolarHBondContact O-N 2.87Å; E30-S32 PolarHBondContact O-N 3.48Å; E30-S32 VanDerWaalsContact O-N 3.07Å; E30-P33 HydrophobicContact CB-CB 4.14Å; E30-P33 VanDerWaalsContact O-CD 3.3Å; E30-P33 WeakPolarHBondContact O-CD 2.83Å
31	I	61.1	Low	65.2	Low	64 Å²	64	108.1 Å²	108.1	33%	0.328	55%	0.546	S	S	.	.	S	Bend	trans	-58.7	-18	174.3	-70.7	159.9	0	0	0	111.2	Y29 M84	Y29-I31 HydrophobicContact CD1-CD1 4.48Å; Y29-I31 HydrophobicContact CD1-CG1 4.13Å; Y29-I31 HydrophobicContact CE1-CG1 4.41Å; Y29-I31 PolarHBondContact O-N 3.44Å; Y29-I31 VanDerWaalsContact O-N 3.08Å; I31-M84 HydrophobicContact CG2-CE 3.76Å; I31-M84 WeakPolarHBondContact O-CE 3.36Å
32	S	65.4	Low	66.4	Low	55 Å²	55	104.3 Å²	104.3	39%	0.385	53%	0.534	S	S	.	.			trans	-139.4	73.3	178.3	-50.1	0	0	0	0	109.4	E30 F34 E80	E30-S32 PolarHBondContact O-N 3.48Å; E30-S32 VanDerWaalsContact O-N 3.07Å; S32-F34 PolarHBondContact O-N 3.14Å; S32-F34 VanDerWaalsContact O-N 3.16Å; S32-E80 VanDerWaalsContact CB-OE1 3.3Å; S32-E80 WeakPolarHBondContact CB-OE1 3.48Å; S32-E80 PolarHBondContact OG-OE1 3.14Å; S32-E80 PolarHBondContact OG-OE2 3.31Å
33	P	67.8	Low	67.6	Low	71 Å²	71	108.3 Å²	108.3	46%	0.461	54%	0.543	S	S	.	.			trans	-71.6	-9.9	-176.9	31.2	-32.1	0	0	0	111.9	E30	E30-P33 HydrophobicContact CB-CB 4.14Å; E30-P33 VanDerWaalsContact O-CD 3.3Å; E30-P33 WeakPolarHBondContact O-CD 2.83Å
34	F	72.2	Confident	68.9	Low	177 Å²	177	105.8 Å²	105.8	78%	0.776	53%	0.532	S	S	*	.	S	Bend	trans	-109.6	135.7	179.2	-56.6	-64.9	0	0	0	110.8	S32	S32-F34 PolarHBondContact O-N 3.14Å; S32-F34 VanDerWaalsContact O-N 3.16Å
35	I	75.4	Confident	70.3	Confident	95 Å²	95	99.3 Å²	99.3	49%	0.487	51%	0.507	S	S	.	.			trans	-72.1	134.2	172.7	-74.2	169.9	0	0	0	109.3	R37 N39 F43	I35-R37 PolarHBondContact O-N 3.46Å; I35-N39 HydrophobicContact CG2-CB 3.71Å; I35-F43 HydrophobicContact CD1-CE2 3.24Å; I35-F43 HydrophobicContact CD1-CZ 3.21Å
36	N	75.8	Confident	71.6	Confident	29 Å²	29	99.5 Å²	99.5	16%	0.155	51%	0.506	C	S	.	.			trans	-52.5	139	175.1	-177.1	-33.9	0	0	0	110.1	R38 N39 A40 D75	N36-R38 PolarHBondContact O-N 2.82Å; N36-R38 PolarHBondContact OD1-N 3.44Å; N36-N39 CarbonylContact O-C 3.59Å; N36-N39 WeakPolarHBondContact O-CA 3.38Å; N36-N39 PolarHBondContact O-N 3.02Å; N36-A40 PolarHBondContact O-N 3.48Å; N36-A40 VanDerWaalsContact O-N 3.12Å; N36-D75 PolarHBondContact ND2-OD1 3.36Å
37	R	74.2	Confident	73	Confident	132 Å²	132	102.4 Å²	102.4	50%	0.498	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.4	180	-158	172.5	-173.6	-160	-7.4	113.2	I35 N39 E67	I35-R37 PolarHBondContact O-N 3.46Å; R37-N39 VanDerWaalsContact C-N 3.34Å; R37-E67 IonicContact CZ-OE1 3.95Å; R37-E67 IonicContact CZ-OE2 3.27Å; R37-E67 IonicContact NE-OE1 2.71Å; R37-E67 IonicContact NH1-OE1 2.93Å; R37-E67 PolarHBondContact NH1-OE1 3.11Å; R37-E67 IonicContact NH1-OE2 3.96Å; R37-E67 PolarHBondContact NH1-OE2 2.97Å
38	R	77.3	Confident	74.4	Confident	106 Å²	106	99.5 Å²	99.5	40%	0.4	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.8	173.2	-74.3	-172.1	-172.5	154.2	8.7	113.7	N36 E71 D75	N36-R38 PolarHBondContact O-N 2.82Å; N36-R38 PolarHBondContact OD1-N 3.44Å; R38-E71 IonicContact CZ-OE2 2.64Å; R38-E71 VanDerWaalsContact CZ-OE2 3.27Å; R38-E71 IonicContact NE-OE2 3.89Å; R38-E71 PolarHBondContact NE-OE2 3.14Å; R38-E71 IonicContact NH2-OE2 2.86Å; R38-E71 PolarHBondContact NH2-OE2 2.93Å; R38-D75 IonicContact CZ-OD2 2.87Å; R38-D75 IonicContact NH1-OD2 3.49Å; R38-D75 PolarHBondContact NH1-OD2 3.07Å
39	N	78.8	Confident	75.6	Confident	91 Å²	91	101.9 Å²	101.9	49%	0.487	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4	-175.6	-66.3	-13.9	0	0	0	112.6	I35 N36 R37 N41 T42	I35-N39 HydrophobicContact CG2-CB 3.71Å; N36-N39 CarbonylContact O-C 3.59Å; N36-N39 WeakPolarHBondContact O-CA 3.38Å; N36-N39 PolarHBondContact O-N 3.02Å; R37-N39 VanDerWaalsContact C-N 3.34Å; N39-N41 PolarHBondContact O-N 2.83Å; N39-T42 WeakPolarHBondContact O-CB 3.36Å; N39-T42 PolarHBondContact O-N 3.4Å; N39-T42 PolarHBondContact O-OG1 3.31Å
40	A	80.6	Confident	76.9	Confident	50 Å²	50	101.9 Å²	101.9	41%	0.413	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.8	-178.2	0	0	0	0	0	113.2	N36 T42	N36-A40 PolarHBondContact O-N 3.48Å; N36-A40 VanDerWaalsContact O-N 3.12Å; A40-T42 PolarHBondContact O-N 3.43Å
41	N	80.8	Confident	78.1	Confident	49 Å²	49	105.3 Å²	105.3	26%	0.262	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-75.7	-0.7	179.3	-64.3	-39.6	0	0	0	114	N39 F43 M44 E56	N39-N41 PolarHBondContact O-N 2.83Å; N41-F43 PolarHBondContact O-N 3.29Å; N41-M44 HydrophobicContact CB-CG 4.49Å; N41-M44 HydrophobicContact CB-SD 4.05Å; N41-M44 PolarHBondContact O-N 3.45Å; N41-E56 WeakPolarHBondContact ND2-CG 3.45Å; N41-E56 PolarHBondContact ND2-OE1 3.22Å
42	T	82	Confident	79.1	Confident	83 Å²	83	102.7 Å²	102.7	51%	0.509	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.7	-178.6	-54.9	0	0	0	0	112.5	N39 A40	N39-T42 WeakPolarHBondContact O-CB 3.36Å; N39-T42 PolarHBondContact O-N 3.4Å; N39-T42 PolarHBondContact O-OG1 3.31Å; A40-T42 PolarHBondContact O-N 3.43Å
43	F	83.6	Confident	80	Confident	159 Å²	159	106 Å²	106	70%	0.697	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-85.3	-4.4	179.5	-56	-77.9	0	0	0	114.3	I35 N41	I35-F43 HydrophobicContact CD1-CE2 3.24Å; I35-F43 HydrophobicContact CD1-CZ 3.21Å; N41-F43 PolarHBondContact O-N 3.29Å
44	M	84.1	Confident	80.9	Confident	64 Å²	64	104.5 Å²	104.5	32%	0.315	50%	0.495	S	S	.	.	S	Bend	trans	-74.6	142.4	-178.6	-62.6	-174.9	81.8	0	0	111.7	N41 Q48 A52	N41-M44 HydrophobicContact CB-CG 4.49Å; N41-M44 HydrophobicContact CB-SD 4.05Å; N41-M44 PolarHBondContact O-N 3.45Å; M44-Q48 HydrophobicContact CE-CB 4Å; M44-A52 HydrophobicContact CE-CB 3.85Å; M44-A52 HydrophobicContact SD-CB 3.59Å; M44-A52 VanDerWaalsContact SD-CB 3.59Å
45	S	86.5	Confident	81.5	Confident	47 Å²	47	102.7 Å²	102.7	33%	0.329	49%	0.489	S	S	.	.			trans	-56.8	148.2	174.2	67.7	0	0	0	0	112	Q47 Q48 R49	S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.44Å; S45-Q47 VanDerWaalsContact O-N 3.16Å; S45-Q48 PolarHBondContact O-N 3.35Å; S45-Q48 VanDerWaalsContact O-N 3.08Å; S45-Q48 WeakPolarHBondContact OG-CG 3.41Å; S45-Q48 PolarHBondContact OG-OE1 3.46Å; S45-R49 PolarHBondContact O-N 3.24Å
46	P	81.6	Confident	82	Confident	114 Å²	114	100 Å²	100	74%	0.74	47%	0.474	S	S	*	.	H	α-helix	trans	-54.7	-36.4	-178.3	-27.9	35.1	0	0	0	114.4	R49	P46-R49 WeakPolarHBondContact O-CB 3.44Å; P46-R49 PolarHBondContact O-N 3.46Å
47	Q	81.4	Confident	82.6	Confident	177 Å²	177	106.5 Å²	106.5	83%	0.827	50%	0.497	S	S	*	.	H	α-helix	trans	-67.1	-38.6	178.3	-87.2	166.1	-27.3	0	0	112.9	S45 R49	S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.44Å; S45-Q47 VanDerWaalsContact O-N 3.16Å; Q47-R49 VanDerWaalsContact C-N 3.34Å
48	Q	83.1	Confident	83.3	Confident	110 Å²	110	104.6 Å²	104.6	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-77.7	-24.9	177.8	-67	171.4	-41.2	0	0	112.1	M44 S45 W50 R51 A52	M44-Q48 HydrophobicContact CE-CB 4Å; S45-Q48 PolarHBondContact O-N 3.35Å; S45-Q48 VanDerWaalsContact O-N 3.08Å; S45-Q48 WeakPolarHBondContact OG-CG 3.41Å; S45-Q48 PolarHBondContact OG-OE1 3.46Å; Q48-W50 VanDerWaalsContact C-N 3.27Å; Q48-W50 PolarHBondContact O-N 3.05Å; Q48-R51 PolarHBondContact O-N 3.44Å; Q48-A52 PolarHBondContact O-N 2.86Å
49	R	81.6	Confident	83.8	Confident	139 Å²	139	103.1 Å²	103.1	53%	0.525	49%	0.494	S	S	.	.	H	α-helix	trans	-57.7	-35.5	-175.9	-160.7	174.2	-165.7	165.6	5.7	113.5	S45 P46 Q47 K53	S45-R49 PolarHBondContact O-N 3.24Å; P46-R49 WeakPolarHBondContact O-CB 3.44Å; P46-R49 PolarHBondContact O-N 3.46Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; R49-K53 WeakPolarHBondContact O-CB 3.12Å; R49-K53 PolarHBondContact O-N 3.05Å
50	W	82.5	Confident	84.3	Confident	198 Å²	198	102.5 Å²	102.5	75%	0.75	49%	0.488	S	S	*	.	H	α-helix	trans	-68.5	-44.5	-178.3	-142.9	105.3	0	0	0	112	Q48 K53 A54	Q48-W50 VanDerWaalsContact C-N 3.27Å; Q48-W50 PolarHBondContact O-N 3.05Å; W50-K53 PolarHBondContact O-N 3.07Å; W50-A54 PolarHBondContact O-N 2.76Å; W50-A54 VanDerWaalsContact O-N 3.14Å
51	R	83.4	Confident	84.7	Confident	202 Å²	202	110.9 Å²	110.9	76%	0.762	51%	0.509	S	S	*	.	H	α-helix	trans	-65.6	-45	175.8	-67.3	-178.1	-178.6	169.7	0.7	111.1	Q48 K53 A54 Q55	Q48-R51 PolarHBondContact O-N 3.44Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.13Å; R51-A54 PolarHBondContact O-N 3.33Å; R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.31Å; R51-Q55 VanDerWaalsContact O-N 3.07Å
52	A	83	Confident	85.2	Confident	9 Å²	9	114.6 Å²	114.6	7%	0.074	53%	0.529	C	S	.	.	H	α-helix	trans	-59.9	-41.5	175.4	0	0	0	0	0	111.9	M44 Q48 A54 Q55 E56	M44-A52 HydrophobicContact CE-CB 3.85Å; M44-A52 HydrophobicContact SD-CB 3.59Å; M44-A52 VanDerWaalsContact SD-CB 3.59Å; Q48-A52 PolarHBondContact O-N 2.86Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 3.4Å; A52-Q55 PolarHBondContact O-N 3.44Å; A52-E56 WeakPolarHBondContact O-CB 3.38Å; A52-E56 WeakPolarHBondContact O-CG 3.34Å; A52-E56 PolarHBondContact O-N 3.17Å
53	K	84.6	Confident	85.6	Confident	123 Å²	123	111.4 Å²	111.4	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-38.5	177.6	-170.4	176.8	-173.1	177	0	112.5	R49 W50 R51 R57	R49-K53 WeakPolarHBondContact O-CB 3.12Å; R49-K53 PolarHBondContact O-N 3.05Å; W50-K53 PolarHBondContact O-N 3.07Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.13Å; K53-R57 VanDerWaalsContact O-CG 3.29Å; K53-R57 WeakPolarHBondContact O-CG 3.23Å; K53-R57 PolarHBondContact O-N 3.43Å; K53-R57 VanDerWaalsContact O-N 3.11Å
54	A	86.1	Confident	86	Confident	41 Å²	41	106 Å²	106	34%	0.339	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-43.7	175.5	0	0	0	0	0	111.5	W50 R51 A52 R57 V58	W50-A54 PolarHBondContact O-N 2.76Å; W50-A54 VanDerWaalsContact O-N 3.14Å; R51-A54 PolarHBondContact O-N 3.33Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 3.4Å; A54-R57 PolarHBondContact O-N 3.37Å; A54-V58 PolarHBondContact O-N 2.97Å
55	Q	85.8	Confident	86.2	Confident	139 Å²	139	106.2 Å²	106.2	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-65.2	-42.6	176.8	-70.7	174.4	-31.1	0	0	112.2	R51 A52 R57 V58 R59	R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.31Å; R51-Q55 VanDerWaalsContact O-N 3.07Å; A52-Q55 PolarHBondContact O-N 3.44Å; Q55-R57 VanDerWaalsContact C-N 3.34Å; Q55-R57 PolarHBondContact O-N 2.77Å; Q55-V58 PolarHBondContact O-N 2.95Å; Q55-R59 PolarHBondContact O-N 3Å
56	E	86	Confident	86.3	Confident	39 Å²	39	111.5 Å²	111.5	18%	0.182	51%	0.514	C	S	.	.	H	α-helix	trans	-62.4	-39.8	176.3	-77.9	-61.1	171.6	0	0	111.9	N41 A52 V58 R59 E60	N41-E56 WeakPolarHBondContact ND2-CG 3.45Å; N41-E56 PolarHBondContact ND2-OE1 3.22Å; A52-E56 WeakPolarHBondContact O-CB 3.38Å; A52-E56 WeakPolarHBondContact O-CG 3.34Å; A52-E56 PolarHBondContact O-N 3.17Å; E56-V58 VanDerWaalsContact C-N 3.27Å; E56-V58 PolarHBondContact O-N 3.08Å; E56-R59 CarbonylContact O-C 3.57Å; E56-R59 PolarHBondContact O-N 3.32Å; E56-R59 VanDerWaalsContact O-N 3.1Å; E56-R59 IonicContact OE1-NH1 3.83Å; E56-R59 PolarHBondContact OE1-NH1 2.64Å; E56-R59 IonicContact OE2-CZ 2.8Å; E56-R59 IonicContact OE2-NH1 3.21Å; E56-E60 WeakPolarHBondContact O-CB 3.36Å; E56-E60 VanDerWaalsContact O-CG 3.28Å; E56-E60 WeakPolarHBondContact O-CG 3.4Å; E56-E60 PolarHBondContact O-N 3.24Å
57	R	86.9	Confident	86.7	Confident	164 Å²	164	106.7 Å²	106.7	62%	0.619	48%	0.482	S	S	*	.	H	α-helix	trans	-57.8	-40.2	175.5	-75.9	171.4	177.2	-170.9	-2	113	K53 A54 Q55 R61	K53-R57 VanDerWaalsContact O-CG 3.29Å; K53-R57 WeakPolarHBondContact O-CG 3.23Å; K53-R57 PolarHBondContact O-N 3.43Å; K53-R57 VanDerWaalsContact O-N 3.11Å; A54-R57 PolarHBondContact O-N 3.37Å; Q55-R57 VanDerWaalsContact C-N 3.34Å; Q55-R57 PolarHBondContact O-N 2.77Å; R57-R61 PolarHBondContact O-N 3.44Å
58	V	89.6	Confident	87.1	Confident	92 Å²	92	102.1 Å²	102.1	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-68.1	-43.3	176.3	177	0	0	0	0	110.1	A54 Q55 E56 R61 N62	A54-V58 PolarHBondContact O-N 2.97Å; Q55-V58 PolarHBondContact O-N 2.95Å; E56-V58 VanDerWaalsContact C-N 3.27Å; E56-V58 PolarHBondContact O-N 3.08Å; V58-R61 PolarHBondContact O-N 2.81Å; V58-N62 PolarHBondContact O-N 3.08Å
59	R	88.1	Confident	87.4	Confident	75 Å²	75	99 Å²	99	28%	0.283	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-45.4	178.1	-177.6	-179.9	154	-147.7	-18.3	112.6	Q55 E56 R61 N62 K63 E67	Q55-R59 PolarHBondContact O-N 3Å; E56-R59 CarbonylContact O-C 3.57Å; E56-R59 PolarHBondContact O-N 3.32Å; E56-R59 VanDerWaalsContact O-N 3.1Å; E56-R59 IonicContact OE1-NH1 3.83Å; E56-R59 PolarHBondContact OE1-NH1 2.64Å; E56-R59 IonicContact OE2-CZ 2.8Å; E56-R59 IonicContact OE2-NH1 3.21Å; R59-R61 PolarHBondContact O-N 2.03Å; R59-N62 CarbonylContact O-C 3.47Å; R59-N62 PolarHBondContact O-N 3.27Å; R59-N62 VanDerWaalsContact O-N 3.14Å; R59-K63 PolarHBondContact O-N 2.62Å; R59-E67 IonicContact CZ-OE1 2.84Å; R59-E67 IonicContact NE-OE1 2.78Å; R59-E67 IonicContact NH2-OE1 3.69Å; R59-E67 PolarHBondContact NH2-OE1 3.29Å
60	E	88.6	Confident	87.8	Confident	79 Å²	79	98.4 Å²	98.4	37%	0.369	45%	0.447	S	S	.	.	H	α-helix	trans	-55.9	-38.2	176.1	-74	-57.6	144.7	0	0	111.5	E56 N62 K63	E56-E60 WeakPolarHBondContact O-CB 3.36Å; E56-E60 VanDerWaalsContact O-CG 3.28Å; E56-E60 WeakPolarHBondContact O-CG 3.4Å; E56-E60 PolarHBondContact O-N 3.24Å; E60-N62 PolarHBondContact O-N 3.21Å; E60-K63 WeakPolarHBondContact O-CB 3.31Å; E60-K63 PolarHBondContact O-N 3.07Å; E60-K63 IonicContact OE1-NZ 2.65Å; E60-K63 PolarHBondContact OE1-NZ 2.97Å; E60-K63 WeakPolarHBondContact OE2-CE 3.3Å; E60-K63 IonicContact OE2-NZ 3.52Å; E60-K63 PolarHBondContact OE2-NZ 2.95Å
61	R	89.6	Confident	88.1	Confident	226 Å²	226	89.1 Å²	89.1	85%	0.853	41%	0.412	S	S	*	.	H	α-helix	trans	-69.9	-32.5	-179.7	-156.7	177.6	-169.9	177.6	2.6	113.2	R57 V58 R59	R57-R61 PolarHBondContact O-N 3.44Å; V58-R61 PolarHBondContact O-N 2.81Å; R59-R61 PolarHBondContact O-N 2.03Å
62	N	90.1	Very high	88.4	Confident	126 Å²	126	80.9 Å²	80.9	67%	0.674	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	12.8	-179.7	-64.8	-27.6	0	0	0	112.4	V58 R59 E60	V58-N62 PolarHBondContact O-N 3.08Å; R59-N62 CarbonylContact O-C 3.47Å; R59-N62 PolarHBondContact O-N 3.27Å; R59-N62 VanDerWaalsContact O-N 3.14Å; E60-N62 PolarHBondContact O-N 3.21Å
63	K	91.1	Very high	88.8	Confident	17 Å²	17	80.4 Å²	80.4	7%	0.074	38%	0.383	C	S	.	.			trans	-67.9	129.2	-175.3	-171.2	175.6	-81.2	173.1	0	110.1	R59 E60 E67 I68 E71	R59-K63 PolarHBondContact O-N 2.62Å; E60-K63 WeakPolarHBondContact O-CB 3.31Å; E60-K63 PolarHBondContact O-N 3.07Å; E60-K63 IonicContact OE1-NZ 2.65Å; E60-K63 PolarHBondContact OE1-NZ 2.97Å; E60-K63 WeakPolarHBondContact OE2-CE 3.3Å; E60-K63 IonicContact OE2-NZ 3.52Å; E60-K63 PolarHBondContact OE2-NZ 2.95Å; K63-E67 HydrophobicContact CD-CB 4.23Å; K63-E67 HydrophobicContact CD-CG 3.82Å; K63-E67 WeakPolarHBondContact CE-OE1 3.23Å; K63-E67 HydrophobicContact CG-CB 3.79Å; K63-E67 HydrophobicContact CG-CG 3.77Å; K63-I68 HydrophobicContact CB-CG1 4.29Å; K63-I68 HydrophobicContact CD-CG1 3.82Å; K63-I68 HydrophobicContact CG-CG1 3.9Å; K63-E71 VanDerWaalsContact CE-OE1 3.29Å; K63-E71 WeakPolarHBondContact CE-OE1 3.05Å; K63-E71 IonicContact NZ-OE1 2.87Å; K63-E71 PolarHBondContact NZ-OE1 3.16Å; K63-E71 IonicContact NZ-OE2 3.76Å; K63-E71 PolarHBondContact NZ-OE2 3.47Å
64	P	91.9	Very high	89	Confident	45 Å²	45	75.8 Å²	75.8	29%	0.292	37%	0.365	S	S	.	.			trans	-72.4	153.3	-179.1	29.5	-34.8	0	0	0	111.5	Y66 E67 I68	P64-Y66 HydrophobicContact CB-CD1 3.65Å; P64-Y66 HydrophobicContact CB-CE1 3.37Å; P64-Y66 HydrophobicContact CG-CD1 3.84Å; P64-Y66 HydrophobicContact CG-CE1 3.21Å; P64-Y66 HydrophobicContact CG-CE2 4.27Å; P64-Y66 VanDerWaalsContact CG-CZ 3.44Å; P64-Y66 PolarHBondContact O-N 3.34Å; P64-Y66 VanDerWaalsContact O-N 3.16Å; P64-E67 HydrophobicContact CG-CB 3.88Å; P64-E67 PolarHBondContact O-N 3.4Å; P64-I68 PolarHBondContact O-N 3.16Å; P64-I68 VanDerWaalsContact O-N 3.14Å
65	A	88.9	Confident	89.1	Confident	68 Å²	68	78.5 Å²	78.5	56%	0.562	37%	0.373	S	S	*	.	H	α-helix	trans	-57.2	-35	-175.9	0	0	0	0	0	113.7	E67 I68 N69	A65-E67 VanDerWaalsContact C-N 3.32Å; A65-E67 PolarHBondContact O-N 2.94Å; A65-I68 PolarHBondContact O-N 3.06Å; A65-N69 WeakPolarHBondContact O-CB 3.31Å; A65-N69 PolarHBondContact O-N 3.41Å; A65-N69 PolarHBondContact O-ND2 2.92Å; A65-N69 PolarHBondContact O-OD1 3.42Å
66	Y	88.5	Confident	89.3	Confident	158 Å²	158	75.5 Å²	75.5	62%	0.62	36%	0.357	S	S	*	.	H	α-helix	trans	-66.5	-34.3	177.4	74.2	-96.3	0	0	0	112.3	P64 R70	P64-Y66 HydrophobicContact CB-CD1 3.65Å; P64-Y66 HydrophobicContact CB-CE1 3.37Å; P64-Y66 HydrophobicContact CG-CD1 3.84Å; P64-Y66 HydrophobicContact CG-CE1 3.21Å; P64-Y66 HydrophobicContact CG-CE2 4.27Å; P64-Y66 VanDerWaalsContact CG-CZ 3.44Å; P64-Y66 PolarHBondContact O-N 3.34Å; P64-Y66 VanDerWaalsContact O-N 3.16Å; Y66-R70 WeakPolarHBondContact O-CB 3.1Å; Y66-R70 PolarHBondContact O-N 3.34Å
67	E	90.1	Very high	89.5	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.065	38%	0.383	C	S	.	.	H	α-helix	trans	-72.2	-40.2	177.5	-174.7	171.9	157.7	0	0	110	R37 R59 K63 P64 A65 N69 R70 E71	R37-E67 IonicContact CZ-OE1 3.95Å; R37-E67 IonicContact CZ-OE2 3.27Å; R37-E67 IonicContact NE-OE1 2.71Å; R37-E67 IonicContact NH1-OE1 2.93Å; R37-E67 PolarHBondContact NH1-OE1 3.11Å; R37-E67 IonicContact NH1-OE2 3.96Å; R37-E67 PolarHBondContact NH1-OE2 2.97Å; R59-E67 IonicContact CZ-OE1 2.84Å; R59-E67 IonicContact NE-OE1 2.78Å; R59-E67 IonicContact NH2-OE1 3.69Å; R59-E67 PolarHBondContact NH2-OE1 3.29Å; K63-E67 HydrophobicContact CD-CB 4.23Å; K63-E67 HydrophobicContact CD-CG 3.82Å; K63-E67 WeakPolarHBondContact CE-OE1 3.23Å; K63-E67 HydrophobicContact CG-CB 3.79Å; K63-E67 HydrophobicContact CG-CG 3.77Å; P64-E67 HydrophobicContact CG-CB 3.88Å; P64-E67 PolarHBondContact O-N 3.4Å; A65-E67 VanDerWaalsContact C-N 3.32Å; A65-E67 PolarHBondContact O-N 2.94Å; E67-N69 PolarHBondContact O-N 3.47Å; E67-R70 PolarHBondContact O-N 2.98Å; E67-E71 WeakPolarHBondContact O-CG 3.22Å; E67-E71 PolarHBondContact O-N 3.48Å
68	I	89.4	Confident	89.7	Confident	80 Å²	80	78.1 Å²	78.1	41%	0.41	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-44.9	173.3	-62.9	168.3	0	0	0	111	K63 P64 A65 R70 E71 A72	K63-I68 HydrophobicContact CB-CG1 4.29Å; K63-I68 HydrophobicContact CD-CG1 3.82Å; K63-I68 HydrophobicContact CG-CG1 3.9Å; P64-I68 PolarHBondContact O-N 3.16Å; P64-I68 VanDerWaalsContact O-N 3.14Å; A65-I68 PolarHBondContact O-N 3.06Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 3.36Å; I68-E71 PolarHBondContact O-N 3.11Å; I68-A72 WeakPolarHBondContact O-CB 3.09Å; I68-A72 PolarHBondContact O-N 3.46Å
69	N	89.1	Confident	89.8	Confident	45 Å²	45	73.8 Å²	73.8	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-39.1	178.6	-69.2	-14	0	0	0	112	A65 E67 A72 C73 Y92	A65-N69 WeakPolarHBondContact O-CB 3.31Å; A65-N69 PolarHBondContact O-N 3.41Å; A65-N69 PolarHBondContact O-ND2 2.92Å; A65-N69 PolarHBondContact O-OD1 3.42Å; E67-N69 PolarHBondContact O-N 3.47Å; N69-A72 PolarHBondContact O-N 2.96Å; N69-C73 PolarHBondContact O-N 3.37Å; N69-C73 VanDerWaalsContact O-N 3.11Å; N69-Y92 HydrophobicContact CB-CD1 4.22Å; N69-Y92 HydrophobicContact CB-CD2 3.64Å; N69-Y92 HydrophobicContact CB-CE1 4.21Å; N69-Y92 HydrophobicContact CB-CE2 3.61Å; N69-Y92 HydrophobicContact CB-CG 3.95Å; N69-Y92 VanDerWaalsContact CG-CZ 3.45Å; N69-Y92 WeakPolarHBondContact O-CD2 3.46Å; N69-Y92 PolarHBondContact OD1-OH 3.4Å; N69-Y92 VanDerWaalsContact OD1-OH 3.06Å
70	R	89.9	Confident	89.9	Confident	126 Å²	126	71.7 Å²	71.7	48%	0.475	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-49.5	174.6	176.8	171.3	178.7	174.1	2.3	111.2	Y66 E67 I68 A72 C73 D74 Y88	Y66-R70 WeakPolarHBondContact O-CB 3.1Å; Y66-R70 PolarHBondContact O-N 3.34Å; E67-R70 PolarHBondContact O-N 2.98Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 3.36Å; R70-A72 VanDerWaalsContact C-N 3.3Å; R70-A72 PolarHBondContact O-N 2.87Å; R70-C73 CarbonylContact O-C 3.57Å; R70-C73 WeakPolarHBondContact O-CA 3.37Å; R70-C73 VanDerWaalsContact O-CB 3.27Å; R70-C73 WeakPolarHBondContact O-CB 3.27Å; R70-C73 PolarHBondContact O-N 2.65Å; R70-D74 PolarHBondContact O-N 2.78Å; R70-Y88 HydrophobicContact CB-CD1 4.33Å; R70-Y88 HydrophobicContact CG-CD1 3.74Å; R70-Y88 HydrophobicContact CG-CD2 4.19Å; R70-Y88 HydrophobicContact CG-CE1 3.64Å; R70-Y88 HydrophobicContact CG-CE2 4.1Å; R70-Y88 HydrophobicContact CG-CG 3.99Å; R70-Y88 VanDerWaalsContact NE-CE2 3.28Å; R70-Y88 PolarHBondContact NE-OH 2.92Å
71	E	90.1	Very high	89.9	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.019	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-38.5	178.3	-71.8	177.7	178.9	0	0	112.4	R38 K63 E67 I68 C73 D74 D75	R38-E71 IonicContact CZ-OE2 2.64Å; R38-E71 VanDerWaalsContact CZ-OE2 3.27Å; R38-E71 IonicContact NE-OE2 3.89Å; R38-E71 PolarHBondContact NE-OE2 3.14Å; R38-E71 IonicContact NH2-OE2 2.86Å; R38-E71 PolarHBondContact NH2-OE2 2.93Å; K63-E71 VanDerWaalsContact CE-OE1 3.29Å; K63-E71 WeakPolarHBondContact CE-OE1 3.05Å; K63-E71 IonicContact NZ-OE1 2.87Å; K63-E71 PolarHBondContact NZ-OE1 3.16Å; K63-E71 IonicContact NZ-OE2 3.76Å; K63-E71 PolarHBondContact NZ-OE2 3.47Å; E67-E71 WeakPolarHBondContact O-CG 3.22Å; E67-E71 PolarHBondContact O-N 3.48Å; I68-E71 PolarHBondContact O-N 3.11Å; E71-C73 PolarHBondContact O-N 2.8Å; E71-D74 PolarHBondContact O-N 3.25Å; E71-D75 VanDerWaalsContact O-CG 3.24Å; E71-D75 PolarHBondContact O-N 2.89Å
72	A	89.7	Confident	90	Very high	28 Å²	28	66.6 Å²	66.6	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-31.7	173.9	0	0	0	0	0	112.6	I68 N69 R70 Y92 F96	I68-A72 WeakPolarHBondContact O-CB 3.09Å; I68-A72 PolarHBondContact O-N 3.46Å; N69-A72 PolarHBondContact O-N 2.96Å; R70-A72 VanDerWaalsContact C-N 3.3Å; R70-A72 PolarHBondContact O-N 2.87Å; A72-Y92 HydrophobicContact CB-CE2 4.17Å; A72-F96 VanDerWaalsContact O-CZ 3.28Å; A72-F96 WeakPolarHBondContact O-CZ 3.08Å
73	C	90.6	Very high	90.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-74.7	-40.7	174.8	-167.7	0	0	0	0	111.8	N69 R70 E71 D75 Y76 C79 E80 Y88	N69-C73 PolarHBondContact O-N 3.37Å; N69-C73 VanDerWaalsContact O-N 3.11Å; R70-C73 CarbonylContact O-C 3.57Å; R70-C73 WeakPolarHBondContact O-CA 3.37Å; R70-C73 VanDerWaalsContact O-CB 3.27Å; R70-C73 WeakPolarHBondContact O-CB 3.27Å; R70-C73 PolarHBondContact O-N 2.65Å; E71-C73 PolarHBondContact O-N 2.8Å; C73-D75 VanDerWaalsContact C-N 3.28Å; C73-D75 PolarHBondContact O-N 2.87Å; C73-Y76 CarbonylContact O-C 3.59Å; C73-Y76 PolarHBondContact O-N 2.84Å; C73-Y76 VanDerWaalsContact O-N 3.08Å; C73-C79 VanDerWaalsContact CA-SG 3.53Å; C73-C79 HydrophobicContact CB-CB 4.04Å; C73-C79 WeakPolarHBondContact CB-SG 3.43Å; C73-C79 WeakPolarHBondContact SG-CB 3.3Å; C73-C79 PolarHBondContact SG-O 2.8Å; C73-C79 VanDerWaalsContact SG-O 3.37Å; C73-C79 CovalentContact SG-SG 2.03Å; C73-C79 PolarHBondContact SG-SG 3.12Å; C73-E80 PolarHBondContact O-N 3.02Å; C73-Y88 HydrophobicContact CB-CD1 3.96Å; C73-Y88 HydrophobicContact CB-CE1 4.25Å
74	D	88.7	Confident	89.9	Confident	26 Å²	26	65.3 Å²	65.3	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-36.3	173.9	-65.9	-26.3	0	0	0	111.2	R70 E71 Y76 Y88	R70-D74 PolarHBondContact O-N 2.78Å; E71-D74 PolarHBondContact O-N 3.25Å; D74-Y76 PolarHBondContact O-N 2.99Å; D74-Y88 WeakPolarHBondContact OD1-CE1 3.35Å; D74-Y88 VanDerWaalsContact OD1-CZ 3.27Å; D74-Y88 PolarHBondContact OD1-OH 3.3Å
75	D	88.6	Confident	89.8	Confident	98 Å²	98	68.1 Å²	68.1	52%	0.524	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.5	176.2	-67.9	-23.9	0	0	0	113	N36 R38 E71 C73	N36-D75 PolarHBondContact ND2-OD1 3.36Å; R38-D75 IonicContact CZ-OD2 2.87Å; R38-D75 IonicContact NH1-OD2 3.49Å; R38-D75 PolarHBondContact NH1-OD2 3.07Å; E71-D75 VanDerWaalsContact O-CG 3.24Å; E71-D75 PolarHBondContact O-N 2.89Å; C73-D75 VanDerWaalsContact C-N 3.28Å; C73-D75 PolarHBondContact O-N 2.87Å
76	Y	90	Very high	90	Very high	76 Å²	76	72 Å²	72	30%	0.298	33%	0.33	S	S	.	.	S	Bend	trans	-122	99.6	-178.8	-176.5	-130.3	0	0	0	111.9	C73 D74 L78 C79 E80 Y95 F96	C73-Y76 CarbonylContact O-C 3.59Å; C73-Y76 PolarHBondContact O-N 2.84Å; C73-Y76 VanDerWaalsContact O-N 3.08Å; D74-Y76 PolarHBondContact O-N 2.99Å; Y76-L78 HydrophobicContact CD1-CB 4.46Å; Y76-L78 HydrophobicContact CE1-CB 3.91Å; Y76-L78 PolarHBondContact O-N 3.06Å; Y76-C79 HydrophobicContact CD1-CB 3.64Å; Y76-C79 HydrophobicContact CG-CB 4.36Å; Y76-C79 WeakPolarHBondContact O-CA 3.42Å; Y76-C79 WeakPolarHBondContact O-CB 3.3Å; Y76-C79 PolarHBondContact O-N 3.33Å; Y76-E80 PolarHBondContact O-N 3.42Å; Y76-Y95 HydrophobicContact CD1-CD1 4.43Å; Y76-Y95 HydrophobicContact CD1-CG 4.25Å; Y76-Y95 AromaticContact CE1-CD1 3.57Å; Y76-Y95 HydrophobicContact CE1-CD1 3.57Å; Y76-Y95 HydrophobicContact CE1-CE1 4.2Å; Y76-Y95 AromaticContact CE1-CG 3.82Å; Y76-Y95 HydrophobicContact CE1-CG 3.82Å; Y76-F96 HydrophobicContact CD1-CE2 4.2Å; Y76-F96 AromaticContact CD1-CZ 3.97Å; Y76-F96 HydrophobicContact CD1-CZ 3.97Å; Y76-F96 HydrophobicContact CG-CZ 4.2Å
77	K	88.8	Confident	90.1	Very high	169 Å²	169	66 Å²	66	74%	0.735	32%	0.316	S	S	*	.	H	α-helix	trans	-45.3	-37.5	-173.6	-66.5	-171.4	175.4	-173.7	0	115.9	R81	K77-R81 VanDerWaalsContact O-CB 3.31Å; K77-R81 WeakPolarHBondContact O-CB 3.37Å; K77-R81 PolarHBondContact O-N 3.5Å
78	L	91.2	Very high	90.1	Very high	89 Å²	89	68.6 Å²	68.6	47%	0.466	33%	0.326	S	S	.	.	H	α-helix	trans	-72.5	-35.2	177.9	-67.2	-178.5	0	0	0	112.5	Y76 Y82 Y95	Y76-L78 HydrophobicContact CD1-CB 4.46Å; Y76-L78 HydrophobicContact CE1-CB 3.91Å; Y76-L78 PolarHBondContact O-N 3.06Å; L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.37Å; L78-Y82 PolarHBondContact O-N 3.28Å; L78-Y95 HydrophobicContact CB-CE1 3.95Å; L78-Y95 WeakPolarHBondContact O-CE2 3.19Å; L78-Y95 PolarHBondContact O-OH 3.38Å
79	C	92.2	Very high	90.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.4	-48.4	171.8	-171	0	0	0	0	110.9	C73 Y76 R81 Y82 A83 A91 Y95 F96	C73-C79 VanDerWaalsContact CA-SG 3.53Å; C73-C79 HydrophobicContact CB-CB 4.04Å; C73-C79 WeakPolarHBondContact CB-SG 3.43Å; C73-C79 WeakPolarHBondContact SG-CB 3.3Å; C73-C79 PolarHBondContact SG-O 2.8Å; C73-C79 VanDerWaalsContact SG-O 3.37Å; C73-C79 CovalentContact SG-SG 2.03Å; C73-C79 PolarHBondContact SG-SG 3.12Å; Y76-C79 HydrophobicContact CD1-CB 3.64Å; Y76-C79 HydrophobicContact CG-CB 4.36Å; Y76-C79 WeakPolarHBondContact O-CA 3.42Å; Y76-C79 WeakPolarHBondContact O-CB 3.3Å; Y76-C79 PolarHBondContact O-N 3.33Å; C79-R81 PolarHBondContact O-N 3.45Å; C79-Y82 CarbonylContact O-C 3.47Å; C79-Y82 PolarHBondContact O-N 2.71Å; C79-Y82 VanDerWaalsContact O-N 3.17Å; C79-A83 VanDerWaalsContact O-CB 3.31Å; C79-A83 WeakPolarHBondContact O-CB 3.28Å; C79-A83 PolarHBondContact O-N 2.86Å; C79-A91 VanDerWaalsContact SG-C 3.52Å; C79-A91 VanDerWaalsContact SG-CB 3.55Å; C79-Y95 VanDerWaalsContact CA-CD2 3.5Å; C79-Y95 HydrophobicContact CB-CD2 3.6Å; C79-Y95 HydrophobicContact CB-CE2 4.19Å; C79-Y95 HydrophobicContact CB-CG 4.13Å; C79-F96 HydrophobicContact CB-CE2 3.97Å
80	E	89.9	Confident	90.3	Very high	31 Å²	31	70.7 Å²	70.7	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-52.6	-53.3	176.1	-176.3	-170.8	-157.4	0	0	111.7	S32 C73 Y76 Y82 A83 M84	S32-E80 VanDerWaalsContact CB-OE1 3.3Å; S32-E80 WeakPolarHBondContact CB-OE1 3.48Å; S32-E80 PolarHBondContact OG-OE1 3.14Å; S32-E80 PolarHBondContact OG-OE2 3.31Å; C73-E80 PolarHBondContact O-N 3.02Å; Y76-E80 PolarHBondContact O-N 3.42Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 PolarHBondContact O-N 2.64Å; E80-A83 WeakPolarHBondContact O-CB 3.29Å; E80-A83 PolarHBondContact O-N 3.21Å; E80-M84 PolarHBondContact O-N 3.17Å
81	R	89.3	Confident	90.5	Very high	138 Å²	138	64.7 Å²	64.7	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-40.5	178.7	-172.5	-175.4	-66.7	-171.2	-1.2	112.5	K77 C79 M84	K77-R81 VanDerWaalsContact O-CB 3.31Å; K77-R81 WeakPolarHBondContact O-CB 3.37Å; K77-R81 PolarHBondContact O-N 3.5Å; C79-R81 PolarHBondContact O-N 3.45Å; R81-M84 HydrophobicContact CB-CE 4.37Å; R81-M84 HydrophobicContact CG-CE 4.29Å
82	Y	92.4	Very high	90.6	Very high	60 Å²	60	65.5 Å²	65.5	24%	0.235	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-36.3	176.9	-169.4	-83.3	0	0	0	111.7	L78 C79 E80 M84 V85 Y86 A90 A91 Y95	L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.37Å; L78-Y82 PolarHBondContact O-N 3.28Å; C79-Y82 CarbonylContact O-C 3.47Å; C79-Y82 PolarHBondContact O-N 2.71Å; C79-Y82 VanDerWaalsContact O-N 3.17Å; E80-Y82 VanDerWaalsContact C-N 3.3Å; E80-Y82 PolarHBondContact O-N 2.64Å; Y82-M84 VanDerWaalsContact C-N 3.29Å; Y82-M84 PolarHBondContact O-N 3.2Å; Y82-V85 PolarHBondContact O-N 2.67Å; Y82-Y86 AromaticContact CD1-CD2 3.83Å; Y82-Y86 HydrophobicContact CD1-CD2 3.83Å; Y82-Y86 HydrophobicContact CD1-CG 4.28Å; Y82-Y86 AromaticContact CD2-CD2 3.83Å; Y82-Y86 HydrophobicContact CD2-CD2 3.83Å; Y82-Y86 HydrophobicContact CD2-CE2 4.14Å; Y82-Y86 AromaticContact CE1-CD2 3.58Å; Y82-Y86 HydrophobicContact CE1-CD2 3.58Å; Y82-Y86 AromaticContact CE1-CG 3.75Å; Y82-Y86 HydrophobicContact CE1-CG 3.75Å; Y82-Y86 AromaticContact CE2-CD2 3.58Å; Y82-Y86 HydrophobicContact CE2-CD2 3.58Å; Y82-Y86 AromaticContact CE2-CE2 3.77Å; Y82-Y86 HydrophobicContact CE2-CE2 3.77Å; Y82-Y86 HydrophobicContact CE2-CG 4.4Å; Y82-Y86 AromaticContact CG-CD2 3.96Å; Y82-Y86 HydrophobicContact CG-CD2 3.96Å; Y82-Y86 AromaticContact CZ-CD2 3.43Å; Y82-Y86 VanDerWaalsContact CZ-CD2 3.43Å; Y82-Y86 AromaticContact CZ-CE2 3.99Å; Y82-Y86 AromaticContact CZ-CG 3.81Å; Y82-Y86 PolarHBondContact O-N 3.02Å; Y82-A90 HydrophobicContact CE1-CB 4.26Å; Y82-A91 HydrophobicContact CD1-CB 3.7Å; Y82-A91 HydrophobicContact CG-CB 4.48Å; Y82-Y95 HydrophobicContact CD2-CE2 4.43Å; Y82-Y95 HydrophobicContact CG-CE2 4Å
83	A	91.9	Very high	90.6	Very high	7 Å²	7	67.2 Å²	67.2	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-32.3	178.3	0	0	0	0	0	112.2	C79 E80 V85 G87 Y88 A91	C79-A83 VanDerWaalsContact O-CB 3.31Å; C79-A83 WeakPolarHBondContact O-CB 3.28Å; C79-A83 PolarHBondContact O-N 2.86Å; E80-A83 WeakPolarHBondContact O-CB 3.29Å; E80-A83 PolarHBondContact O-N 3.21Å; A83-V85 PolarHBondContact O-N 2.94Å; A83-G87 WeakPolarHBondContact O-CA 3.44Å; A83-G87 PolarHBondContact O-N 3.27Å; A83-Y88 HydrophobicContact CB-CD1 3.64Å; A83-Y88 HydrophobicContact CB-CE1 3.83Å; A83-Y88 HydrophobicContact CB-CG 4.05Å; A83-A91 HydrophobicContact CB-CB 3.67Å
84	M	86.8	Confident	90.7	Very high	110 Å²	110	73.8 Å²	73.8	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-29.8	174.1	-68.9	-164.7	-76.3	0	0	113.2	I31 E80 R81 Y82	I31-M84 HydrophobicContact CG2-CE 3.76Å; I31-M84 WeakPolarHBondContact O-CE 3.36Å; E80-M84 PolarHBondContact O-N 3.17Å; R81-M84 HydrophobicContact CB-CE 4.37Å; R81-M84 HydrophobicContact CG-CE 4.29Å; Y82-M84 VanDerWaalsContact C-N 3.29Å; Y82-M84 PolarHBondContact O-N 3.2Å
85	V	90.8	Very high	90.8	Very high	104 Å²	104	74.9 Å²	74.9	63%	0.63	36%	0.357	S	S	*	.	H	α-helix	trans	-96.3	-42.1	-178	-176.5	0	0	0	0	111.9	Y82 A83	Y82-V85 PolarHBondContact O-N 2.67Å; A83-V85 PolarHBondContact O-N 2.94Å
86	Y	92.8	Very high	90.8	Very high	149 Å²	149	72.3 Å²	72.3	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-116.5	-1.7	-169.4	-60.5	-78.3	0	0	0	114.3	Y82	Y82-Y86 AromaticContact CD1-CD2 3.83Å; Y82-Y86 HydrophobicContact CD1-CD2 3.83Å; Y82-Y86 HydrophobicContact CD1-CG 4.28Å; Y82-Y86 AromaticContact CD2-CD2 3.83Å; Y82-Y86 HydrophobicContact CD2-CD2 3.83Å; Y82-Y86 HydrophobicContact CD2-CE2 4.14Å; Y82-Y86 AromaticContact CE1-CD2 3.58Å; Y82-Y86 HydrophobicContact CE1-CD2 3.58Å; Y82-Y86 AromaticContact CE1-CG 3.75Å; Y82-Y86 HydrophobicContact CE1-CG 3.75Å; Y82-Y86 AromaticContact CE2-CD2 3.58Å; Y82-Y86 HydrophobicContact CE2-CD2 3.58Å; Y82-Y86 AromaticContact CE2-CE2 3.77Å; Y82-Y86 HydrophobicContact CE2-CE2 3.77Å; Y82-Y86 HydrophobicContact CE2-CG 4.4Å; Y82-Y86 AromaticContact CG-CD2 3.96Å; Y82-Y86 HydrophobicContact CG-CD2 3.96Å; Y82-Y86 AromaticContact CZ-CD2 3.43Å; Y82-Y86 VanDerWaalsContact CZ-CD2 3.43Å; Y82-Y86 AromaticContact CZ-CE2 3.99Å; Y82-Y86 AromaticContact CZ-CG 3.81Å; Y82-Y86 PolarHBondContact O-N 3.02Å
87	G	90.6	Very high	90.1	Very high	31 Å²	31	76.2 Å²	76.2	32%	0.32	36%	0.355	S	S	.	.			trans	84.6	157.9	-177.6	0	0	0	0	0	114.7	A83 N89 A90 A91	A83-G87 WeakPolarHBondContact O-CA 3.44Å; A83-G87 PolarHBondContact O-N 3.27Å; G87-N89 PolarHBondContact O-N 3.1Å; G87-A90 PolarHBondContact O-N 2.98Å; G87-A91 WeakPolarHBondContact O-CB 3.41Å; G87-A91 PolarHBondContact O-N 2.75Å
88	Y	89.2	Confident	88.9	Confident	70 Å²	70	75.6 Å²	75.6	28%	0.275	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-37.6	-173.6	-77.1	-74.6	0	0	0	114.7	R70 C73 D74 A83 A91 Y92	R70-Y88 HydrophobicContact CB-CD1 4.33Å; R70-Y88 HydrophobicContact CG-CD1 3.74Å; R70-Y88 HydrophobicContact CG-CD2 4.19Å; R70-Y88 HydrophobicContact CG-CE1 3.64Å; R70-Y88 HydrophobicContact CG-CE2 4.1Å; R70-Y88 HydrophobicContact CG-CG 3.99Å; R70-Y88 VanDerWaalsContact NE-CE2 3.28Å; R70-Y88 PolarHBondContact NE-OH 2.92Å; C73-Y88 HydrophobicContact CB-CD1 3.96Å; C73-Y88 HydrophobicContact CB-CE1 4.25Å; D74-Y88 WeakPolarHBondContact OD1-CE1 3.35Å; D74-Y88 VanDerWaalsContact OD1-CZ 3.27Å; D74-Y88 PolarHBondContact OD1-OH 3.3Å; A83-Y88 HydrophobicContact CB-CD1 3.64Å; A83-Y88 HydrophobicContact CB-CE1 3.83Å; A83-Y88 HydrophobicContact CB-CG 4.05Å; Y88-A91 PolarHBondContact O-N 3.4Å; Y88-Y92 VanDerWaalsContact O-CB 3.23Å; Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.28Å
89	N	90.3	Very high	87.3	Confident	126 Å²	126	79.7 Å²	79.7	67%	0.674	36%	0.364	S	S	*	.	H	α-helix	trans	-64.2	-44.5	179.6	-77.3	-31.1	0	0	0	111.3	G87 N93	G87-N89 PolarHBondContact O-N 3.1Å; N89-N93 WeakPolarHBondContact O-CB 3.46Å; N89-N93 PolarHBondContact O-N 3.11Å; N89-N93 VanDerWaalsContact O-N 3.11Å; N89-N93 PolarHBondContact O-ND2 3.21Å; N89-N93 VanDerWaalsContact O-ND2 3.14Å; N89-N93 PolarHBondContact O-OD1 3.07Å
90	A	92.9	Very high	85.6	Confident	43 Å²	43	88.9 Å²	88.9	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-44.5	177.5	0	0	0	0	0	111.2	Y82 G87 N93 R94	Y82-A90 HydrophobicContact CE1-CB 4.26Å; G87-A90 PolarHBondContact O-N 2.98Å; A90-N93 PolarHBondContact O-N 2.81Å; A90-R94 WeakPolarHBondContact O-CB 3.28Å; A90-R94 PolarHBondContact O-N 3.34Å
91	A	93.8	Very high	83.9	Confident	0 Å²	0	90.5 Å²	90.5	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-61.2	-50.5	177.8	0	0	0	0	0	112.1	C79 Y82 A83 G87 Y88 N93 R94 Y95	C79-A91 VanDerWaalsContact SG-C 3.52Å; C79-A91 VanDerWaalsContact SG-CB 3.55Å; Y82-A91 HydrophobicContact CD1-CB 3.7Å; Y82-A91 HydrophobicContact CG-CB 4.48Å; A83-A91 HydrophobicContact CB-CB 3.67Å; G87-A91 WeakPolarHBondContact O-CB 3.41Å; G87-A91 PolarHBondContact O-N 2.75Å; Y88-A91 PolarHBondContact O-N 3.4Å; A91-N93 VanDerWaalsContact C-N 3.31Å; A91-N93 PolarHBondContact O-N 3.25Å; A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 3.03Å; A91-R94 VanDerWaalsContact O-N 3.13Å; A91-Y95 VanDerWaalsContact O-CD2 3.23Å; A91-Y95 WeakPolarHBondContact O-CD2 3.29Å; A91-Y95 PolarHBondContact O-N 3.24Å
92	Y	91.8	Very high	82	Confident	21 Å²	21	88 Å²	88	8%	0.082	43%	0.433	C	S	.	.	H	α-helix	trans	-60.6	-43	-179.5	-175	-91.3	0	0	0	111.5	N69 A72 Y88 R94 Y95 F96 R97	N69-Y92 HydrophobicContact CB-CD1 4.22Å; N69-Y92 HydrophobicContact CB-CD2 3.64Å; N69-Y92 HydrophobicContact CB-CE1 4.21Å; N69-Y92 HydrophobicContact CB-CE2 3.61Å; N69-Y92 HydrophobicContact CB-CG 3.95Å; N69-Y92 VanDerWaalsContact CG-CZ 3.45Å; N69-Y92 WeakPolarHBondContact O-CD2 3.46Å; N69-Y92 PolarHBondContact OD1-OH 3.4Å; N69-Y92 VanDerWaalsContact OD1-OH 3.06Å; A72-Y92 HydrophobicContact CB-CE2 4.17Å; Y88-Y92 VanDerWaalsContact O-CB 3.23Å; Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.28Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.42Å; Y92-Y95 PolarHBondContact O-N 3.14Å; Y92-F96 HydrophobicContact CD1-CB 4.38Å; Y92-F96 HydrophobicContact CD2-CB 4.09Å; Y92-F96 AromaticContact CD2-CD2 3.61Å; Y92-F96 HydrophobicContact CD2-CD2 3.61Å; Y92-F96 HydrophobicContact CD2-CE2 4.33Å; Y92-F96 HydrophobicContact CD2-CG 4.07Å; Y92-F96 HydrophobicContact CE1-CB 4.09Å; Y92-F96 HydrophobicContact CE2-CB 3.8Å; Y92-F96 AromaticContact CE2-CD2 3.89Å; Y92-F96 HydrophobicContact CE2-CD2 3.89Å; Y92-F96 AromaticContact CE2-CG 3.89Å; Y92-F96 HydrophobicContact CE2-CG 3.89Å; Y92-F96 HydrophobicContact CG-CB 4.37Å; Y92-F96 HydrophobicContact CG-CD2 4.25Å; Y92-F96 WeakPolarHBondContact O-CA 3.2Å; Y92-F96 WeakPolarHBondContact O-CB 3.22Å; Y92-F96 PolarHBondContact O-N 3.21Å; Y92-R97 PolarHBondContact O-N 3.43Å
93	N	90.9	Very high	79.6	Confident	63 Å²	63	98.2 Å²	98.2	34%	0.337	48%	0.478	S	S	.	.	I	π-helix	trans	-60.7	-43.4	176.2	-68.7	-17.9	0	0	0	111.7	N89 A90 A91 R97	N89-N93 WeakPolarHBondContact O-CB 3.46Å; N89-N93 PolarHBondContact O-N 3.11Å; N89-N93 VanDerWaalsContact O-N 3.11Å; N89-N93 PolarHBondContact O-ND2 3.21Å; N89-N93 VanDerWaalsContact O-ND2 3.14Å; N89-N93 PolarHBondContact O-OD1 3.07Å; A90-N93 PolarHBondContact O-N 2.81Å; A91-N93 VanDerWaalsContact C-N 3.31Å; A91-N93 PolarHBondContact O-N 3.25Å; N93-R97 VanDerWaalsContact CG-CD 3.48Å; N93-R97 PolarHBondContact ND2-NH1 3.27Å; N93-R97 WeakPolarHBondContact O-CB 3.36Å; N93-R97 PolarHBondContact O-N 3.41Å; N93-R97 WeakPolarHBondContact OD1-CD 3.37Å; N93-R97 PolarHBondContact OD1-NH1 3.22Å
94	R	91.1	Very high	79	Confident	138 Å²	138	102.8 Å²	102.8	52%	0.521	50%	0.499	S	S	.	.	I	π-helix	trans	-62.5	-45.1	-180	-178.1	176.2	-179.7	83.4	3.1	112.7	A90 A91 Y92	A90-R94 WeakPolarHBondContact O-CB 3.28Å; A90-R94 PolarHBondContact O-N 3.34Å; A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 3.03Å; A91-R94 VanDerWaalsContact O-N 3.13Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.42Å
95	Y	90.6	Very high	78.6	Confident	50 Å²	50	102.4 Å²	102.4	20%	0.196	50%	0.497	C	S	.	.	I	π-helix	trans	-97.5	-26	-171	-66.2	-74	0	0	0	114.7	Y76 L78 C79 Y82 A91 Y92	Y76-Y95 HydrophobicContact CD1-CD1 4.43Å; Y76-Y95 HydrophobicContact CD1-CG 4.25Å; Y76-Y95 AromaticContact CE1-CD1 3.57Å; Y76-Y95 HydrophobicContact CE1-CD1 3.57Å; Y76-Y95 HydrophobicContact CE1-CE1 4.2Å; Y76-Y95 AromaticContact CE1-CG 3.82Å; Y76-Y95 HydrophobicContact CE1-CG 3.82Å; L78-Y95 HydrophobicContact CB-CE1 3.95Å; L78-Y95 WeakPolarHBondContact O-CE2 3.19Å; L78-Y95 PolarHBondContact O-OH 3.38Å; C79-Y95 VanDerWaalsContact CA-CD2 3.5Å; C79-Y95 HydrophobicContact CB-CD2 3.6Å; C79-Y95 HydrophobicContact CB-CE2 4.19Å; C79-Y95 HydrophobicContact CB-CG 4.13Å; Y82-Y95 HydrophobicContact CD2-CE2 4.43Å; Y82-Y95 HydrophobicContact CG-CE2 4Å; A91-Y95 VanDerWaalsContact O-CD2 3.23Å; A91-Y95 WeakPolarHBondContact O-CD2 3.29Å; A91-Y95 PolarHBondContact O-N 3.24Å; Y92-Y95 PolarHBondContact O-N 3.14Å
96	F	88.7	Confident	77.9	Confident	44 Å²	44	102.3 Å²	102.3	19%	0.193	49%	0.49	C	S	.	.	I	π-helix	trans	-118.5	-27.5	-172.1	-61.6	-82.6	0	0	0	114.6	A72 Y76 C79 Y92 R99	A72-F96 VanDerWaalsContact O-CZ 3.28Å; A72-F96 WeakPolarHBondContact O-CZ 3.08Å; Y76-F96 HydrophobicContact CD1-CE2 4.2Å; Y76-F96 AromaticContact CD1-CZ 3.97Å; Y76-F96 HydrophobicContact CD1-CZ 3.97Å; Y76-F96 HydrophobicContact CG-CZ 4.2Å; C79-F96 HydrophobicContact CB-CE2 3.97Å; Y92-F96 HydrophobicContact CD1-CB 4.38Å; Y92-F96 HydrophobicContact CD2-CB 4.09Å; Y92-F96 AromaticContact CD2-CD2 3.61Å; Y92-F96 HydrophobicContact CD2-CD2 3.61Å; Y92-F96 HydrophobicContact CD2-CE2 4.33Å; Y92-F96 HydrophobicContact CD2-CG 4.07Å; Y92-F96 HydrophobicContact CE1-CB 4.09Å; Y92-F96 HydrophobicContact CE2-CB 3.8Å; Y92-F96 AromaticContact CE2-CD2 3.89Å; Y92-F96 HydrophobicContact CE2-CD2 3.89Å; Y92-F96 AromaticContact CE2-CG 3.89Å; Y92-F96 HydrophobicContact CE2-CG 3.89Å; Y92-F96 HydrophobicContact CG-CB 4.37Å; Y92-F96 HydrophobicContact CG-CD2 4.25Å; Y92-F96 WeakPolarHBondContact O-CA 3.2Å; Y92-F96 WeakPolarHBondContact O-CB 3.22Å; Y92-F96 PolarHBondContact O-N 3.21Å; F96-R99 PolarHBondContact O-N 3.08Å
97	R	77.3	Confident	77	Confident	158 Å²	158	99.5 Å²	99.5	60%	0.596	48%	0.484	S	S	*	.	I	π-helix	trans	-71	-35.7	176.8	-87	175.8	80	176.8	2.8	113.2	Y92 N93 R99 R100	Y92-R97 PolarHBondContact O-N 3.43Å; N93-R97 VanDerWaalsContact CG-CD 3.48Å; N93-R97 PolarHBondContact ND2-NH1 3.27Å; N93-R97 WeakPolarHBondContact O-CB 3.36Å; N93-R97 PolarHBondContact O-N 3.41Å; N93-R97 WeakPolarHBondContact OD1-CD 3.37Å; N93-R97 PolarHBondContact OD1-NH1 3.22Å; R97-R99 PolarHBondContact O-N 2.88Å; R97-R100 PolarHBondContact O-N 2.84Å
98	Q	63.6	Low	76.2	Confident	156 Å²	156	103.8 Å²	103.8	73%	0.729	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.4	176.8	-75.9	-179.3	-23.3	0	0	112.7	R100 G101	Q98-R100 VanDerWaalsContact C-N 3.33Å; Q98-R100 PolarHBondContact O-N 3.39Å; Q98-G101 PolarHBondContact O-N 3.03Å
99	R	57.3	Low	75.3	Confident	174 Å²	174	106.1 Å²	106.1	66%	0.657	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-75.2	-15.2	177.2	-68.4	-174.1	178	-176.4	0.7	114.5	F96 R97	F96-R99 PolarHBondContact O-N 3.08Å; R97-R99 PolarHBondContact O-N 2.88Å
100	R	55.3	Low	74.3	Confident	193 Å²	193	104.6 Å²	104.6	73%	0.728	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-84.9	-15.1	175	-77.6	-174.3	176.3	164	1.9	113.6	R97 Q98	R97-R100 PolarHBondContact O-N 2.84Å; Q98-R100 VanDerWaalsContact C-N 3.33Å; Q98-R100 PolarHBondContact O-N 3.39Å
101	G	54.1	Low	72.8	Confident	66 Å²	66	109.4 Å²	109.4	68%	0.68	51%	0.508	S	S	*	.	S	Bend	trans	-99.7	-4.6	179.9	0	0	0	0	0	114.9	Q98 K103	Q98-G101 PolarHBondContact O-N 3.03Å; G101-K103 PolarHBondContact O-N 3.16Å
102	A	51	Low	71.1	Confident	84 Å²	84	118.5 Å²	118.5	69%	0.694	55%	0.551	S	S	*	*			trans	-90.8	76	173.9	0	0	0	0	0	109.5
103	K	41.4	Very low	69.2	Low	275 Å²	275	127.4 Å²	127.4	100%	1.196	59%	0.593	S	S	*	*			trans	-133.2	0	162.2	-94.1	-168.1	176.7	-175.1	0	108.2	G101	G101-K103 PolarHBondContact O-N 3.16Å

Retrieved 103 of 103 residues in 34.9 ms (Link to these results)

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