G4VH82_SCHMA Loading...

VPS37 C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession G4VH82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

						>G4VH82_SCHMA|G4VH82
MSGNQDDIDDKEQGNIQSSASVLSDISILNIAKALTENDMRVFLLLNIPLTICINNYEEMRTFNQREAAFSQKTLMYWKKLRETVKDDIKIAELEYALRQSDHKELADILVERNRMNLEITRDLLQK
					

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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	42.2	Very low	43.8	Very low	252 Å²	252	151.9 Å²	151.9	100%	1.241	82%	0.821	S	S	*	*				0	106.3	0	-73	-177.3	171.1	0	0	108
2	S	44.2	Very low	43.6	Very low	113 Å²	113	155.8 Å²	155.8	79%	0.79	83%	0.83	S	S	*	*			trans	-170.7	94.4	142.4	-159.6	0	0	0	0	104.7	N4	S2-N4 PolarHBondContact O-N 3.44Å
3	G	39.2	Very low	43.6	Very low	72 Å²	72	157.6 Å²	157.6	74%	0.742	83%	0.831	S	S	*	*			trans	-67.4	123.2	174	0	0	0	0	0	108.2	Q5	G3-Q5 PolarHBondContact O-N 2.72Å
4	N	43.1	Very low	43.4	Very low	156 Å²	156	150.8 Å²	150.8	83%	0.834	82%	0.817	S	S	*	*			trans	-67.1	113.7	161.8	-71.1	-16.7	0	0	0	106.4	S2	S2-N4 PolarHBondContact O-N 3.44Å
5	Q	46.3	Very low	43.5	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	81%	0.805	S	S	*	*			trans	-118.2	109.5	168.6	-159	131.1	-0.6	0	0	106.6	G3	G3-Q5 PolarHBondContact O-N 2.72Å
6	D	41.9	Very low	43.7	Very low	144 Å²	144	149.4 Å²	149.4	77%	0.77	81%	0.806	S	S	*	*			trans	-54.4	129.2	172	-54.1	-60.7	0	0	0	109.7
7	D	48.1	Very low	44	Very low	137 Å²	137	149.5 Å²	149.5	73%	0.733	80%	0.8	S	S	*	*			trans	-135.6	84.4	160.8	-82.7	-42.7	0	0	0	109.2
8	I	45.9	Very low	44.5	Very low	116 Å²	116	146.8 Å²	146.8	60%	0.595	80%	0.795	S	S	*	*			trans	72.7	88.5	131.1	-56.6	154.1	0	0	0	115.8	D10	I8-D10 HydrophobicContact CG2-CB 3.68Å; I8-D10 WeakPolarHBondContact CG2-OD2 3.49Å; I8-D10 PolarHBondContact O-N 3.21Å
9	D	42.9	Very low	45.4	Very low	176 Å²	176	143.6 Å²	143.6	94%	0.941	79%	0.785	S	S	*	*			trans	-68.4	68.5	153.1	-86.5	-33.5	0	0	0	110.2	K11	D9-K11 PolarHBondContact O-N 3.15Å
10	D	43.2	Very low	46.9	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	76%	0.762	S	S	*	*			trans	-83.3	96.9	165.4	-90	-22	0	0	0	108.7	I8	I8-D10 HydrophobicContact CG2-CB 3.68Å; I8-D10 WeakPolarHBondContact CG2-OD2 3.49Å; I8-D10 PolarHBondContact O-N 3.21Å
11	K	44.5	Very low	48.9	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.857	74%	0.739	S	S	*	*			trans	-179.5	36.9	143.4	-97.3	161.2	-159.4	-176.1	0	115.2	D9 Q13	D9-K11 PolarHBondContact O-N 3.15Å; K11-Q13 PolarHBondContact O-N 3.42Å; K11-Q13 VanDerWaalsContact O-N 3.15Å
12	E	42	Very low	51.5	Low	199 Å²	199	121.8 Å²	121.8	93%	0.93	68%	0.68	S	S	*	*			trans	-83.2	52.8	153	-75.2	-166.1	162.7	0	0	110.6	G14	E12-G14 PolarHBondContact O-N 2.87Å
13	Q	43.5	Very low	53.9	Low	179 Å²	179	116.9 Å²	116.9	84%	0.836	65%	0.645	S	S	*	*			trans	-78.6	71.4	152.9	-77.6	-177.6	15	0	0	106.7	K11 N15	K11-Q13 PolarHBondContact O-N 3.42Å; K11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-N15 PolarHBondContact O-N 3.21Å
14	G	40.6	Very low	56.7	Low	62 Å²	62	114.6 Å²	114.6	64%	0.639	62%	0.618	S	S	*	*			trans	-56.9	95.1	161.2	0	0	0	0	0	106.3	E12 I16	E12-G14 PolarHBondContact O-N 2.87Å; G14-I16 PolarHBondContact O-N 2.9Å
15	N	45.4	Very low	59.2	Low	120 Å²	120	111.3 Å²	111.3	64%	0.642	60%	0.6	S	S	*	*			trans	-57.8	93.9	170.9	-172.6	16.8	0	0	0	105.4	Q13 Q17	Q13-N15 PolarHBondContact O-N 3.21Å; N15-Q17 PolarHBondContact ND2-OE1 3.2Å; N15-Q17 VanDerWaalsContact ND2-OE1 3.11Å; N15-Q17 PolarHBondContact O-N 3.26Å
16	I	47	Very low	61.6	Low	160 Å²	160	107.1 Å²	107.1	82%	0.821	58%	0.583	S	S	*	*			trans	-69.9	66.6	167.8	-52	172.7	0	0	0	104.9	G14 S18	G14-I16 PolarHBondContact O-N 2.9Å; I16-S18 PolarHBondContact O-N 3.3Å
17	Q	48.2	Very low	64.2	Low	150 Å²	150	100.3 Å²	100.3	70%	0.701	55%	0.546	S	S	*	.			trans	-72.9	86.5	166.7	-143.2	166	2.8	0	0	102.6	N15 S19	N15-Q17 PolarHBondContact ND2-OE1 3.2Å; N15-Q17 VanDerWaalsContact ND2-OE1 3.11Å; N15-Q17 PolarHBondContact O-N 3.26Å; Q17-S19 VanDerWaalsContact C-N 3.28Å; Q17-S19 PolarHBondContact O-N 3.49Å
18	S	53.7	Low	66.6	Low	102 Å²	102	93.8 Å²	93.8	71%	0.713	51%	0.511	S	S	*	.			trans	-50.6	104.1	169.5	60	0	0	0	0	105.2	I16 A20	I16-S18 PolarHBondContact O-N 3.3Å; S18-A20 PolarHBondContact O-N 2.97Å
19	S	61.1	Low	69	Low	86 Å²	86	91 Å²	91	60%	0.601	50%	0.497	S	S	*	.			trans	-57.7	114.9	-174.8	54.7	0	0	0	0	106.9	Q17 S21 N117	Q17-S19 VanDerWaalsContact C-N 3.28Å; Q17-S19 PolarHBondContact O-N 3.49Å; S19-S21 PolarHBondContact O-N 2.95Å; S19-N117 WeakPolarHBondContact CB-ND2 3.47Å
20	A	75.4	Confident	71.6	Confident	40 Å²	40	83.9 Å²	83.9	33%	0.331	46%	0.459	S	S	.	.			trans	-63.3	108.9	-172.5	0	0	0	0	0	108.9	S18 N117 L118 E119	S18-A20 PolarHBondContact O-N 2.97Å; A20-N117 CarbonylContact O-C 3.54Å; A20-N117 PolarHBondContact O-OD1 3.36Å; A20-L118 WeakPolarHBondContact O-CA 3.49Å; A20-L118 PolarHBondContact O-N 2.88Å; A20-E119 HydrophobicContact CB-CB 4.36Å
21	S	88.8	Confident	74.1	Confident	39 Å²	39	77.7 Å²	77.7	27%	0.273	43%	0.426	S	S	.	.			trans	-80.9	137.1	-179.7	177.5	0	0	0	0	110.4	S19 L23 S24	S19-S21 PolarHBondContact O-N 2.95Å; S21-L23 PolarHBondContact O-N 2.98Å; S21-L23 VanDerWaalsContact O-N 3.17Å; S21-L23 PolarHBondContact OG-N 3.48Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; S21-S24 VanDerWaalsContact O-CB 3.27Å; S21-S24 WeakPolarHBondContact O-CB 3.27Å; S21-S24 PolarHBondContact O-N 2.98Å; S21-S24 PolarHBondContact O-OG 3.27Å
22	V	96.1	Very high	76.6	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	168.9	76.7	0	0	0	0	112.6	S27 I91 L110 R113 N114 L118 I120	V22-S27 WeakPolarHBondContact O-CB 3.21Å; V22-S27 PolarHBondContact O-OG 3.35Å; V22-I91 HydrophobicContact CG1-CD1 4.15Å; V22-I91 HydrophobicContact CG1-CG1 4.25Å; V22-L110 HydrophobicContact CG2-CD1 3.8Å; V22-R113 HydrophobicContact CG2-CB 3.75Å; V22-N114 HydrophobicContact CB-CB 4.28Å; V22-N114 HydrophobicContact CG1-CB 3.82Å; V22-N114 WeakPolarHBondContact CG1-OD1 3.28Å; V22-N114 HydrophobicContact CG2-CB 4.35Å; V22-L118 WeakPolarHBondContact CA-O 3.35Å; V22-I120 HydrophobicContact CG2-CD1 3.78Å; V22-I120 HydrophobicContact CG2-CG1 3.92Å
23	L	96.3	Very high	79.1	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.052	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	16.6	175.8	-60.8	-177.9	0	0	0	112.2	S21 I28 K79 D87 K90 I91	S21-L23 PolarHBondContact O-N 2.98Å; S21-L23 VanDerWaalsContact O-N 3.17Å; S21-L23 PolarHBondContact OG-N 3.48Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; L23-I28 HydrophobicContact CD2-CD1 4.28Å; L23-K79 WeakPolarHBondContact O-CE 3.44Å; L23-K79 PolarHBondContact O-NZ 3.1Å; L23-D87 HydrophobicContact CD1-CB 3.85Å; L23-K90 HydrophobicContact CD1-CB 3.89Å; L23-K90 HydrophobicContact CD1-CD 3.75Å; L23-K90 HydrophobicContact CD1-CG 4.47Å; L23-I91 HydrophobicContact CD1-CD1 4.41Å; L23-I91 HydrophobicContact CD1-CG1 4.13Å; L23-I91 HydrophobicContact CD2-CG1 4.05Å; L23-I91 HydrophobicContact CG-CG1 4.17Å
24	S	96.2	Very high	81.5	Confident	23 Å²	23	56.4 Å²	56.4	16%	0.161	33%	0.334	C	S	.	.	S	Bend	trans	-57.3	155.5	171.7	71.4	0	0	0	0	111.5	S21 I26 S27 I28 E119	S21-S24 VanDerWaalsContact O-CB 3.27Å; S21-S24 WeakPolarHBondContact O-CB 3.27Å; S21-S24 PolarHBondContact O-N 2.98Å; S21-S24 PolarHBondContact O-OG 3.27Å; S24-I26 PolarHBondContact O-N 3.37Å; S24-S27 WeakPolarHBondContact O-CB 3.44Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 VanDerWaalsContact O-N 3.15Å; S24-S27 WeakPolarHBondContact OG-CB 3.36Å; S24-S27 PolarHBondContact OG-N 3.08Å; S24-S27 VanDerWaalsContact OG-N 3.1Å; S24-S27 PolarHBondContact OG-OG 3.22Å; S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 2.91Å; S24-I28 VanDerWaalsContact O-N 3.08Å; S24-E119 WeakPolarHBondContact CB-OE2 3.36Å; S24-E119 WeakPolarHBondContact OG-CG 3.48Å; S24-E119 PolarHBondContact OG-OE2 3.34Å
25	D	97	Very high	84.1	Confident	87 Å²	87	54.1 Å²	54.1	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-56.6	-39.7	177.2	-73.6	1.1	0	0	0	111.2	I28 L29 M76 K79	D25-I28 PolarHBondContact O-N 3.44Å; D25-L29 WeakPolarHBondContact O-CB 3.39Å; D25-L29 WeakPolarHBondContact O-CG 3.35Å; D25-L29 PolarHBondContact O-N 3.32Å; D25-M76 HydrophobicContact CB-CE 4.14Å; D25-K79 IonicContact OD1-NZ 2.77Å; D25-K79 PolarHBondContact OD1-NZ 2.81Å
26	I	96.1	Very high	86.1	Confident	89 Å²	89	52 Å²	52	46%	0.456	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-44.3	178.4	-64.2	167.5	0	0	0	110.9	S24 I28 L29 N30 E119	S24-I26 PolarHBondContact O-N 3.37Å; I26-I28 VanDerWaalsContact C-N 3.33Å; I26-I28 PolarHBondContact O-N 3.21Å; I26-L29 PolarHBondContact O-N 3.25Å; I26-N30 WeakPolarHBondContact CG2-ND2 3.46Å; I26-N30 WeakPolarHBondContact O-CB 3.5Å; I26-N30 VanDerWaalsContact O-CG 3.27Å; I26-N30 PolarHBondContact O-N 3.01Å; I26-N30 PolarHBondContact O-ND2 3.01Å; I26-E119 HydrophobicContact CB-CG 4.47Å; I26-E119 WeakPolarHBondContact CB-OE1 3.32Å; I26-E119 HydrophobicContact CG2-CG 4.32Å; I26-E119 VanDerWaalsContact CG2-OE1 3.23Å; I26-E119 WeakPolarHBondContact CG2-OE1 3.42Å
27	S	97.4	Very high	87.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-48	176	-61.6	0	0	0	0	111.4	V22 S24 N30 I31 E119 I120	V22-S27 WeakPolarHBondContact O-CB 3.21Å; V22-S27 PolarHBondContact O-OG 3.35Å; S24-S27 WeakPolarHBondContact O-CB 3.44Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 VanDerWaalsContact O-N 3.15Å; S24-S27 WeakPolarHBondContact OG-CB 3.36Å; S24-S27 PolarHBondContact OG-N 3.08Å; S24-S27 VanDerWaalsContact OG-N 3.1Å; S24-S27 PolarHBondContact OG-OG 3.22Å; S27-N30 PolarHBondContact O-N 3.08Å; S27-I31 WeakPolarHBondContact O-CG1 3.45Å; S27-I31 PolarHBondContact O-N 3.12Å; S27-E119 WeakPolarHBondContact OG-CA 3.26Å; S27-E119 WeakPolarHBondContact OG-CG 3.28Å; S27-I120 PolarHBondContact OG-N 2.72Å
28	I	97.5	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-42.9	-179.7	-64	-51.4	0	0	0	111.4	L23 S24 D25 I26 N30 I31 A32 L75 M76 W78 K79 L94	L23-I28 HydrophobicContact CD2-CD1 4.28Å; S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 2.91Å; S24-I28 VanDerWaalsContact O-N 3.08Å; D25-I28 PolarHBondContact O-N 3.44Å; I26-I28 VanDerWaalsContact C-N 3.33Å; I26-I28 PolarHBondContact O-N 3.21Å; I28-N30 VanDerWaalsContact C-N 3.32Å; I28-N30 PolarHBondContact O-N 2.9Å; I28-I31 HydrophobicContact CD1-CD1 4.44Å; I28-I31 PolarHBondContact O-N 3.48Å; I28-A32 VanDerWaalsContact O-CB 3.27Å; I28-A32 WeakPolarHBondContact O-CB 3.09Å; I28-A32 PolarHBondContact O-N 3.09Å; I28-L75 HydrophobicContact CG2-CB 4.09Å; I28-L75 HydrophobicContact CG2-CD2 3.81Å; I28-L75 HydrophobicContact CG2-CG 3.7Å; I28-M76 HydrophobicContact CB-SD 4.09Å; I28-M76 HydrophobicContact CG2-CG 4.47Å; I28-M76 HydrophobicContact CG2-SD 3.72Å; I28-W78 HydrophobicContact CD1-CZ3 4.2Å; I28-K79 HydrophobicContact CG1-CD 4.11Å; I28-L94 HydrophobicContact CD1-CD2 4.11Å
29	L	96.9	Very high	90.4	Very high	57 Å²	57	43.2 Å²	43.2	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-34.3	176.9	-71.1	172.3	0	0	0	112.8	D25 I26 K33 Q72 M76	D25-L29 WeakPolarHBondContact O-CB 3.39Å; D25-L29 WeakPolarHBondContact O-CG 3.35Å; D25-L29 PolarHBondContact O-N 3.32Å; I26-L29 PolarHBondContact O-N 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 2.96Å; L29-Q72 HydrophobicContact CD2-CB 3.76Å; L29-Q72 HydrophobicContact CD2-CG 3.88Å; L29-Q72 PolarHBondContact O-NE2 3.46Å; L29-Q72 VanDerWaalsContact O-NE2 3.15Å; L29-M76 HydrophobicContact CD2-CG 3.76Å; L29-M76 HydrophobicContact CD2-SD 4.2Å; L29-M76 HydrophobicContact CG-CG 4.38Å; L29-M76 HydrophobicContact CG-SD 4.16Å
30	N	96.7	Very high	91.8	Very high	27 Å²	27	43 Å²	43	14%	0.144	24%	0.236	C	C	.	.	H	α-helix	trans	-70.9	-47.4	176.1	-75.6	-27.5	0	0	0	111.2	I26 S27 I28 A32 K33 A34 I120 R122 L125	I26-N30 WeakPolarHBondContact CG2-ND2 3.46Å; I26-N30 WeakPolarHBondContact O-CB 3.5Å; I26-N30 VanDerWaalsContact O-CG 3.27Å; I26-N30 PolarHBondContact O-N 3.01Å; I26-N30 PolarHBondContact O-ND2 3.01Å; S27-N30 PolarHBondContact O-N 3.08Å; I28-N30 VanDerWaalsContact C-N 3.32Å; I28-N30 PolarHBondContact O-N 2.9Å; N30-A32 PolarHBondContact O-N 3.49Å; N30-K33 PolarHBondContact O-N 3.13Å; N30-A34 PolarHBondContact O-N 3.41Å; N30-A34 VanDerWaalsContact O-N 3.16Å; N30-I120 PolarHBondContact ND2-O 2.77Å; N30-R122 PolarHBondContact ND2-N 3Å; N30-L125 VanDerWaalsContact C-CD1 3.4Å; N30-L125 HydrophobicContact CB-CD1 3.8Å; N30-L125 VanDerWaalsContact O-CD1 3.23Å; N30-L125 WeakPolarHBondContact O-CD1 3.17Å
31	I	96.8	Very high	92.8	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-51.6	173.5	-70	161.2	0	0	0	110.2	S27 I28 K33 A34 L35 L75 L94 L98 L110 I120	S27-I31 WeakPolarHBondContact O-CG1 3.45Å; S27-I31 PolarHBondContact O-N 3.12Å; I28-I31 HydrophobicContact CD1-CD1 4.44Å; I28-I31 PolarHBondContact O-N 3.48Å; I31-K33 PolarHBondContact O-N 3.29Å; I31-A34 PolarHBondContact O-N 3.06Å; I31-L35 PolarHBondContact O-N 3.3Å; I31-L75 HydrophobicContact CB-CD2 4.34Å; I31-L75 HydrophobicContact CG2-CD2 3.98Å; I31-L94 HydrophobicContact CD1-CD2 4.15Å; I31-L98 HydrophobicContact CG2-CD1 4.41Å; I31-L98 HydrophobicContact CG2-CD2 4.21Å; I31-L110 HydrophobicContact CD1-CD1 4.29Å; I31-I120 HydrophobicContact CD1-CD1 3.37Å; I31-I120 HydrophobicContact CG1-CD1 3.78Å
32	A	96	Very high	93.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-35.1	-177.6	0	0	0	0	0	113	I28 N30 A34 S71 Q72 L75	I28-A32 VanDerWaalsContact O-CB 3.27Å; I28-A32 WeakPolarHBondContact O-CB 3.09Å; I28-A32 PolarHBondContact O-N 3.09Å; N30-A32 PolarHBondContact O-N 3.49Å; A32-A34 VanDerWaalsContact C-N 3.34Å; A32-S71 WeakPolarHBondContact O-CB 3.45Å; A32-Q72 HydrophobicContact CB-CB 4.34Å; A32-Q72 HydrophobicContact CB-CG 3.82Å; A32-L75 HydrophobicContact CB-CB 4.02Å; A32-L75 HydrophobicContact CB-CD2 3.87Å
33	K	94.4	Very high	93.2	Very high	96 Å²	96	44.5 Å²	44.5	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-74	-24.6	177.2	-175.1	175.8	177.5	-177.9	0	113.2	L29 N30 I31 A68	L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 2.96Å; N30-K33 PolarHBondContact O-N 3.13Å; I31-K33 PolarHBondContact O-N 3.29Å; K33-A68 HydrophobicContact CG-CB 4.14Å
34	A	95	Very high	93.2	Very high	32 Å²	32	47.9 Å²	47.9	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-88	-10.2	179.2	0	0	0	0	0	113.5	N30 I31 A32 L106 L125	N30-A34 PolarHBondContact O-N 3.41Å; N30-A34 VanDerWaalsContact O-N 3.16Å; I31-A34 PolarHBondContact O-N 3.06Å; A32-A34 VanDerWaalsContact C-N 3.34Å; A34-L106 HydrophobicContact CB-CD1 4.04Å; A34-L106 HydrophobicContact CB-CD2 3.82Å; A34-L125 HydrophobicContact CB-CB 4.03Å; A34-L125 HydrophobicContact CB-CD1 3.79Å; A34-L125 HydrophobicContact CB-CG 4.39Å
35	L	94.7	Very high	93.3	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	25%	0.25	C	S	.	.	S	Bend	trans	-59.9	148.7	172.1	-60.6	-177.2	0	0	0	110.9	I31 E37 V42 F43 L98 L106	I31-L35 PolarHBondContact O-N 3.3Å; L35-E37 PolarHBondContact O-N 2.97Å; L35-V42 HydrophobicContact CD1-CB 4.44Å; L35-V42 HydrophobicContact CD1-CG1 4.25Å; L35-V42 HydrophobicContact CD1-CG2 4.32Å; L35-V42 HydrophobicContact CD2-CG2 4.07Å; L35-F43 HydrophobicContact CD1-CE1 3.95Å; L35-F43 HydrophobicContact CD1-CZ 3.78Å; L35-L98 HydrophobicContact CD2-CD2 3.68Å; L35-L106 HydrophobicContact CD2-CD1 3.8Å
36	T	87.6	Confident	93.3	Very high	76 Å²	76	45.2 Å²	45.2	47%	0.466	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-63.3	137.1	171.9	-62.7	0	0	0	0	110.5	N38 D39 H103	T36-N38 PolarHBondContact O-N 2.93Å; T36-D39 WeakPolarHBondContact O-CB 3.38Å; T36-D39 PolarHBondContact O-N 2.75Å; T36-D39 VanDerWaalsContact O-N 3.17Å; T36-H103 PolarHBondContact N-CE1 3.43Å; T36-H103 PolarHBondContact OG1-CE1 2.92Å
37	E	82.2	Confident	93.3	Very high	141 Å²	141	47 Å²	47	66%	0.659	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	131.1	177.4	-82	-177.7	-178	0	0	111.6	L35 D39 E67	L35-E37 PolarHBondContact O-N 2.97Å; E37-D39 PolarHBondContact O-N 3.33Å; E37-D39 VanDerWaalsContact O-N 3.09Å; E37-E67 WeakPolarHBondContact CB-OE2 3.43Å; E37-E67 HydrophobicContact CG-CB 4.23Å; E37-E67 WeakPolarHBondContact CG-OE2 3.41Å
38	N	74.9	Confident	93.4	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.374	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	13.3	-179.6	-56	-59.2	0	0	0	116.4	T36 M40 Y57 E67	T36-N38 PolarHBondContact O-N 2.93Å; N38-M40 PolarHBondContact O-N 3.16Å; N38-M40 VanDerWaalsContact O-N 3.09Å; N38-Y57 WeakPolarHBondContact OD1-CE2 3.43Å; N38-E67 PolarHBondContact ND2-OE1 3.17Å; N38-E67 VanDerWaalsContact ND2-OE1 3.13Å; N38-E67 PolarHBondContact ND2-OE2 3.09Å
39	D	81.8	Confident	93.3	Very high	16 Å²	16	49.8 Å²	49.8	9%	0.086	26%	0.257	C	S	.	.			trans	-76.4	98.4	174.2	-169.9	-2.2	0	0	0	111.3	T36 E37 R41 H103	T36-D39 WeakPolarHBondContact O-CB 3.38Å; T36-D39 PolarHBondContact O-N 2.75Å; T36-D39 VanDerWaalsContact O-N 3.17Å; E37-D39 PolarHBondContact O-N 3.33Å; E37-D39 VanDerWaalsContact O-N 3.09Å; D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.15Å; D39-R41 VanDerWaalsContact OD1-CB 3.23Å; D39-R41 WeakPolarHBondContact OD1-CB 3.25Å; D39-R41 WeakPolarHBondContact OD1-CG 3.25Å; D39-R41 IonicContact OD1-CZ 2.88Å; D39-R41 PolarHBondContact OD1-N 2.75Å; D39-R41 IonicContact OD1-NE 3.37Å; D39-R41 PolarHBondContact OD1-NE 2.58Å; D39-R41 IonicContact OD1-NH2 3.44Å; D39-R41 IonicContact OD2-CZ 3.32Å; D39-R41 IonicContact OD2-NE 2.81Å; D39-R41 PolarHBondContact OD2-NE 2.68Å; D39-R41 IonicContact OD2-NH2 2.96Å; D39-R41 PolarHBondContact OD2-NH2 2.99Å; D39-H103 IonicContact OD2-CE1 3.7Å; D39-H103 IonicContact OD2-NE2 3.8Å; D39-H103 PolarHBondContact OD2-NE2 3.3Å; D39-H103 VanDerWaalsContact OD2-NE2 3.13Å
40	M	90.7	Very high	93.2	Very high	83 Å²	83	51.2 Å²	51.2	41%	0.409	26%	0.264	S	S	.	.			trans	-77.6	-12.4	177.6	-60.5	-160.3	-42.9	0	0	114.1	N38 V42 F43 L44	N38-M40 PolarHBondContact O-N 3.16Å; N38-M40 VanDerWaalsContact O-N 3.09Å; M40-V42 VanDerWaalsContact C-N 3.3Å; M40-V42 PolarHBondContact O-N 3.3Å; M40-F43 PolarHBondContact O-N 3.06Å; M40-L44 PolarHBondContact O-N 3.43Å; M40-L44 VanDerWaalsContact O-N 3.12Å
41	R	94.7	Very high	93.2	Very high	111 Å²	111	54.4 Å²	54.4	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-41.3	-169.8	-65.9	175.1	-66.5	166.9	5.1	111.5	D39 F43 L44 L45 S101 D102	D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.15Å; D39-R41 VanDerWaalsContact OD1-CB 3.23Å; D39-R41 WeakPolarHBondContact OD1-CB 3.25Å; D39-R41 WeakPolarHBondContact OD1-CG 3.25Å; D39-R41 IonicContact OD1-CZ 2.88Å; D39-R41 PolarHBondContact OD1-N 2.75Å; D39-R41 IonicContact OD1-NE 3.37Å; D39-R41 PolarHBondContact OD1-NE 2.58Å; D39-R41 IonicContact OD1-NH2 3.44Å; D39-R41 IonicContact OD2-CZ 3.32Å; D39-R41 IonicContact OD2-NE 2.81Å; D39-R41 PolarHBondContact OD2-NE 2.68Å; D39-R41 IonicContact OD2-NH2 2.96Å; D39-R41 PolarHBondContact OD2-NH2 2.99Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.38Å; R41-L44 PolarHBondContact O-N 3.46Å; R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CD1 3.43Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.23Å; R41-L45 PolarHBondContact O-N 2.94Å; R41-S101 PolarHBondContact NH2-O 3.41Å; R41-S101 VanDerWaalsContact NH2-O 3.15Å; R41-D102 IonicContact CZ-OD2 3.03Å; R41-D102 IonicContact NH1-OD2 3.82Å; R41-D102 PolarHBondContact NH1-OD2 2.96Å; R41-D102 IonicContact NH2-OD2 2.81Å; R41-D102 PolarHBondContact NH2-OD2 3.08Å
42	V	97.2	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-52.3	-49.9	175	178	0	0	0	0	110.5	L35 M40 L44 L45 L46 A97 S101	L35-V42 HydrophobicContact CD1-CB 4.44Å; L35-V42 HydrophobicContact CD1-CG1 4.25Å; L35-V42 HydrophobicContact CD1-CG2 4.32Å; L35-V42 HydrophobicContact CD2-CG2 4.07Å; M40-V42 VanDerWaalsContact C-N 3.3Å; M40-V42 PolarHBondContact O-N 3.3Å; V42-L44 PolarHBondContact O-N 3.32Å; V42-L45 PolarHBondContact O-N 3.08Å; V42-L46 HydrophobicContact CG1-CD1 3.92Å; V42-L46 HydrophobicContact CG1-CG 4.47Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 2.85Å; V42-A97 HydrophobicContact CG1-CB 4.46Å; V42-S101 WeakPolarHBondContact CG2-OG 2.92Å
43	F	97.3	Very high	93.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-36.8	-174.4	-52	-48.8	0	0	0	112.6	L35 M40 R41 L46 N47 I48 F70 T74	L35-F43 HydrophobicContact CD1-CE1 3.95Å; L35-F43 HydrophobicContact CD1-CZ 3.78Å; M40-F43 PolarHBondContact O-N 3.06Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.38Å; F43-L46 PolarHBondContact O-N 3.1Å; F43-N47 PolarHBondContact O-N 3.31Å; F43-I48 HydrophobicContact CB-CD1 3.94Å; F43-I48 HydrophobicContact CD1-CD1 3.92Å; F43-I48 HydrophobicContact CG-CD1 4.34Å; F43-I48 WeakPolarHBondContact O-CB 3.4Å; F43-I48 WeakPolarHBondContact O-CG1 3.27Å; F43-I48 PolarHBondContact O-N 3.43Å; F43-F70 HydrophobicContact CD2-CE1 4.07Å; F43-F70 AromaticContact CD2-CZ 3.72Å; F43-F70 HydrophobicContact CD2-CZ 3.72Å; F43-F70 HydrophobicContact CE2-CD1 4.39Å; F43-F70 AromaticContact CE2-CE1 3.51Å; F43-F70 HydrophobicContact CE2-CE1 3.51Å; F43-F70 AromaticContact CE2-CZ 3.61Å; F43-F70 HydrophobicContact CE2-CZ 3.61Å; F43-F70 HydrophobicContact CZ-CE1 4.43Å; F43-T74 HydrophobicContact CB-CG2 4.04Å; F43-T74 HydrophobicContact CD1-CG2 3.52Å; F43-T74 HydrophobicContact CD2-CG2 4.12Å; F43-T74 HydrophobicContact CE1-CG2 4.01Å; F43-T74 HydrophobicContact CG-CG2 3.6Å
44	L	95.9	Very high	93.3	Very high	82 Å²	82	55.4 Å²	55.4	43%	0.429	29%	0.293	S	S	.	.	H	α-helix	trans	-67	-42.7	174.8	-62.8	178.2	0	0	0	111.5	M40 R41 V42 L46 N47 L50	M40-L44 PolarHBondContact O-N 3.43Å; M40-L44 VanDerWaalsContact O-N 3.12Å; R41-L44 PolarHBondContact O-N 3.46Å; V42-L44 PolarHBondContact O-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.11Å; L44-N47 WeakPolarHBondContact O-CA 3.24Å; L44-N47 PolarHBondContact O-N 3.46Å; L44-L50 HydrophobicContact CD2-CD1 4.31Å
45	L	97.6	Very high	93.4	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-30	176.9	-71.1	162.2	0	0	0	112.5	R41 V42 N47 Y96 A97 Q100	R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CD1 3.43Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.23Å; R41-L45 PolarHBondContact O-N 2.94Å; V42-L45 PolarHBondContact O-N 3.08Å; L45-N47 PolarHBondContact O-N 3.48Å; L45-Y96 HydrophobicContact CD2-CE1 3.97Å; L45-A97 HydrophobicContact CB-CB 3.82Å; L45-Q100 HydrophobicContact CD1-CB 3.64Å; L45-Q100 HydrophobicContact CD2-CB 4.34Å
46	L	97.9	Very high	93.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4	172.1	-69.8	178.4	0	0	0	113.9	V42 F43 L44 I48 L75 W78 R82 E93 L94 A97	V42-L46 HydrophobicContact CG1-CD1 3.92Å; V42-L46 HydrophobicContact CG1-CG 4.47Å; V42-L46 WeakPolarHBondContact O-CB 3.48Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 2.85Å; F43-L46 PolarHBondContact O-N 3.1Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.11Å; L46-I48 HydrophobicContact CB-CD1 4.24Å; L46-I48 HydrophobicContact CB-CG1 4.04Å; L46-I48 PolarHBondContact O-N 2.98Å; L46-L75 HydrophobicContact CD1-CD1 3.4Å; L46-L75 VanDerWaalsContact CD1-CD1 3.4Å; L46-W78 HydrophobicContact CB-CG 4.3Å; L46-W78 HydrophobicContact CD1-CD2 4.1Å; L46-W78 HydrophobicContact CD1-CG 4.04Å; L46-W78 HydrophobicContact CD2-CD2 4.48Å; L46-W78 HydrophobicContact CD2-CZ2 4.14Å; L46-R82 PolarHBondContact O-NH2 3.15Å; L46-E93 HydrophobicContact CD2-CB 4.46Å; L46-L94 HydrophobicContact CD1-CD1 4.04Å; L46-L94 HydrophobicContact CD2-CD1 4.32Å; L46-A97 HydrophobicContact CD2-CB 3.56Å; L46-A97 HydrophobicContact CG-CB 3.66Å
47	N	97	Very high	93.8	Very high	125 Å²	125	58.5 Å²	58.5	67%	0.668	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.2	-177.3	-62.1	-63.6	0	0	0	113	F43 L44 L45	F43-N47 PolarHBondContact O-N 3.31Å; L44-N47 WeakPolarHBondContact O-CA 3.24Å; L44-N47 PolarHBondContact O-N 3.46Å; L45-N47 PolarHBondContact O-N 3.48Å
48	I	97.8	Very high	94.5	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	28%	0.284	C	S	.	.			trans	-75.7	130.2	171.5	-55.7	174.6	0	0	0	107.7	F43 L46 L50 I52 T74 Y77 W78	F43-I48 HydrophobicContact CB-CD1 3.94Å; F43-I48 HydrophobicContact CD1-CD1 3.92Å; F43-I48 HydrophobicContact CG-CD1 4.34Å; F43-I48 WeakPolarHBondContact O-CB 3.4Å; F43-I48 WeakPolarHBondContact O-CG1 3.27Å; F43-I48 PolarHBondContact O-N 3.43Å; L46-I48 HydrophobicContact CB-CD1 4.24Å; L46-I48 HydrophobicContact CB-CG1 4.04Å; L46-I48 PolarHBondContact O-N 2.98Å; I48-L50 PolarHBondContact O-N 2.94Å; I48-I52 HydrophobicContact CG2-CB 4.27Å; I48-I52 HydrophobicContact CG2-CG2 4.29Å; I48-T74 HydrophobicContact CD1-CG2 3.66Å; I48-T74 HydrophobicContact CG2-CG2 4.16Å; I48-Y77 HydrophobicContact CG2-CD1 3.97Å; I48-Y77 HydrophobicContact CG2-CE1 4.23Å; I48-W78 HydrophobicContact CD1-CB 3.6Å; I48-W78 HydrophobicContact CD1-CG 4.42Å; I48-W78 HydrophobicContact CG1-CB 3.92Å
49	P	96.7	Very high	95.5	Very high	55 Å²	55	55.5 Å²	55.5	36%	0.357	28%	0.281	S	S	.	.			trans	-57.3	132.1	179.5	-24	33	0	0	0	111.6	T51 I52 C53	P49-T51 PolarHBondContact O-N 2.9Å; P49-T51 VanDerWaalsContact O-N 3.15Å; P49-I52 HydrophobicContact CB-CG1 4.06Å; P49-I52 HydrophobicContact CG-CG1 4.29Å; P49-I52 WeakPolarHBondContact O-CA 3.2Å; P49-I52 WeakPolarHBondContact O-CB 3.47Å; P49-I52 PolarHBondContact O-N 3.09Å; P49-C53 PolarHBondContact O-N 3.37Å
50	L	95.5	Very high	96.1	Very high	87 Å²	87	55.1 Å²	55.1	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-34.9	-177.5	179.9	61.5	0	0	0	112.6	L44 I48 I52 C53 I54	L44-L50 HydrophobicContact CD2-CD1 4.31Å; I48-L50 PolarHBondContact O-N 2.94Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.46Å; L50-C53 PolarHBondContact O-N 3.33Å; L50-I54 HydrophobicContact CD1-CD1 4.18Å; L50-I54 HydrophobicContact CD1-CG1 4.22Å; L50-I54 HydrophobicContact CD2-CD1 4.36Å; L50-I54 HydrophobicContact CG-CD1 3.82Å; L50-I54 HydrophobicContact CG-CG1 4.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.34Å
51	T	96.5	Very high	96.3	Very high	93 Å²	93	57.6 Å²	57.6	57%	0.571	28%	0.284	S	S	*	.	H	α-helix	trans	-59.5	-36.4	175.2	51.1	0	0	0	0	112.3	P49 N55	P49-T51 PolarHBondContact O-N 2.9Å; P49-T51 VanDerWaalsContact O-N 3.15Å; T51-N55 WeakPolarHBondContact O-CB 3.47Å; T51-N55 PolarHBondContact O-N 3.19Å; T51-N55 PolarHBondContact O-ND2 3.41Å; T51-N55 PolarHBondContact O-OD1 3.41Å
52	I	97.3	Very high	96.4	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-70.8	-43.2	176.1	-58.8	-64	0	0	0	110.7	I48 P49 L50 I54 N55 N56 Y77	I48-I52 HydrophobicContact CG2-CB 4.27Å; I48-I52 HydrophobicContact CG2-CG2 4.29Å; P49-I52 HydrophobicContact CB-CG1 4.06Å; P49-I52 HydrophobicContact CG-CG1 4.29Å; P49-I52 WeakPolarHBondContact O-CA 3.2Å; P49-I52 WeakPolarHBondContact O-CB 3.47Å; P49-I52 PolarHBondContact O-N 3.09Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.46Å; I52-I54 PolarHBondContact O-N 3.06Å; I52-N55 PolarHBondContact O-N 3.36Å; I52-N56 WeakPolarHBondContact O-CB 3.26Å; I52-N56 VanDerWaalsContact O-CG 3.28Å; I52-N56 PolarHBondContact O-N 3.13Å; I52-Y77 HydrophobicContact CB-CE1 4.2Å; I52-Y77 HydrophobicContact CD1-CE2 4.34Å; I52-Y77 HydrophobicContact CG1-CE1 3.87Å; I52-Y77 HydrophobicContact CG2-CD1 3.7Å; I52-Y77 HydrophobicContact CG2-CD2 4.26Å; I52-Y77 HydrophobicContact CG2-CE1 3.78Å; I52-Y77 HydrophobicContact CG2-CE2 4.37Å; I52-Y77 HydrophobicContact CG2-CG 3.94Å
53	C	96.1	Very high	96.4	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-48.4	175.9	-60.3	0	0	0	0	111.1	P49 L50 N56 Y57 F70	P49-C53 PolarHBondContact O-N 3.37Å; L50-C53 PolarHBondContact O-N 3.33Å; C53-N56 PolarHBondContact O-N 3.47Å; C53-Y57 WeakPolarHBondContact O-CB 3.32Å; C53-Y57 PolarHBondContact O-N 2.96Å; C53-F70 HydrophobicContact CB-CE2 4.41Å; C53-F70 VanDerWaalsContact O-CE2 3.26Å; C53-F70 WeakPolarHBondContact O-CE2 3.27Å
54	I	95.3	Very high	96.3	Very high	82 Å²	82	70.7 Å²	70.7	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-47.1	178.3	-67.9	169.2	0	0	0	110.8	L50 I52 N56 Y57 E58	L50-I54 HydrophobicContact CD1-CD1 4.18Å; L50-I54 HydrophobicContact CD1-CG1 4.22Å; L50-I54 HydrophobicContact CD2-CD1 4.36Å; L50-I54 HydrophobicContact CG-CD1 3.82Å; L50-I54 HydrophobicContact CG-CG1 4.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.34Å; I52-I54 PolarHBondContact O-N 3.06Å; I54-N56 PolarHBondContact O-N 3.41Å; I54-Y57 PolarHBondContact O-N 2.88Å; I54-E58 HydrophobicContact CG2-CG 4.29Å; I54-E58 WeakPolarHBondContact O-CB 3.18Å; I54-E58 WeakPolarHBondContact O-CG 3.05Å; I54-E58 PolarHBondContact O-N 3.44Å
55	N	96.7	Very high	96.2	Very high	99 Å²	99	71 Å²	71	53%	0.529	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-43.6	180	-72.5	-13.4	0	0	0	112	T51 I52 Y57 E59	T51-N55 WeakPolarHBondContact O-CB 3.47Å; T51-N55 PolarHBondContact O-N 3.19Å; T51-N55 PolarHBondContact O-ND2 3.41Å; T51-N55 PolarHBondContact O-OD1 3.41Å; I52-N55 PolarHBondContact O-N 3.36Å; N55-Y57 VanDerWaalsContact C-N 3.32Å; N55-Y57 PolarHBondContact O-N 3.43Å; N55-E59 WeakPolarHBondContact O-CB 3.39Å; N55-E59 PolarHBondContact O-N 3.49Å
56	N	95.9	Very high	95.9	Very high	13 Å²	13	78.6 Å²	78.6	7%	0.07	38%	0.384	C	S	.	.	H	α-helix	trans	-66	-36.4	177.8	-70.8	-16.5	0	0	0	112	I52 C53 I54 M60 F70 K73 T74	I52-N56 WeakPolarHBondContact O-CB 3.26Å; I52-N56 VanDerWaalsContact O-CG 3.28Å; I52-N56 PolarHBondContact O-N 3.13Å; C53-N56 PolarHBondContact O-N 3.47Å; I54-N56 PolarHBondContact O-N 3.41Å; N56-M60 WeakPolarHBondContact O-CB 3.43Å; N56-M60 PolarHBondContact O-N 3.1Å; N56-M60 VanDerWaalsContact O-N 3.08Å; N56-F70 HydrophobicContact CB-CD2 3.83Å; N56-F70 HydrophobicContact CB-CE2 4.26Å; N56-K73 HydrophobicContact CB-CD 4.33Å; N56-K73 WeakPolarHBondContact OD1-CD 3.36Å; N56-K73 VanDerWaalsContact OD1-CE 3.25Å; N56-K73 WeakPolarHBondContact OD1-CE 3.42Å; N56-T74 PolarHBondContact ND2-OG1 3.49Å
57	Y	95.3	Very high	95.5	Very high	74 Å²	74	81.5 Å²	81.5	29%	0.29	40%	0.398	S	S	.	.	H	α-helix	trans	-67.7	-48.7	176.6	-177.8	-100.6	0	0	0	111.7	N38 C53 I54 N55 E59 M60 R61 F70	N38-Y57 WeakPolarHBondContact OD1-CE2 3.43Å; C53-Y57 WeakPolarHBondContact O-CB 3.32Å; C53-Y57 PolarHBondContact O-N 2.96Å; I54-Y57 PolarHBondContact O-N 2.88Å; N55-Y57 VanDerWaalsContact C-N 3.32Å; N55-Y57 PolarHBondContact O-N 3.43Å; Y57-E59 VanDerWaalsContact C-N 3.32Å; Y57-E59 PolarHBondContact O-N 3.11Å; Y57-M60 HydrophobicContact CD2-CE 4.03Å; Y57-M60 HydrophobicContact CE2-CE 3.9Å; Y57-M60 WeakPolarHBondContact O-CB 3.43Å; Y57-M60 PolarHBondContact O-N 3.21Å; Y57-R61 HydrophobicContact CD1-CG 4.49Å; Y57-R61 HydrophobicContact CE1-CG 4.17Å; Y57-R61 WeakPolarHBondContact O-CG 3.49Å; Y57-R61 PolarHBondContact O-N 3.24Å; Y57-F70 HydrophobicContact CD2-CD1 4.22Å; Y57-F70 HydrophobicContact CD2-CG 4.19Å
58	E	95.9	Very high	95.3	Very high	81 Å²	81	76.9 Å²	76.9	38%	0.379	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-35	178.4	-72.6	-59.8	127.4	0	0	112.2	I54 R61 T62	I54-E58 HydrophobicContact CG2-CG 4.29Å; I54-E58 WeakPolarHBondContact O-CB 3.18Å; I54-E58 WeakPolarHBondContact O-CG 3.05Å; I54-E58 PolarHBondContact O-N 3.44Å; E58-R61 PolarHBondContact O-N 2.81Å; E58-R61 IonicContact OE1-NH1 3.59Å; E58-R61 PolarHBondContact OE1-NH1 3.07Å; E58-R61 IonicContact OE2-NH1 3.84Å; E58-T62 VanDerWaalsContact O-CB 3.27Å; E58-T62 WeakPolarHBondContact O-CB 3.31Å; E58-T62 PolarHBondContact O-N 3.31Å; E58-T62 PolarHBondContact O-OG1 3.5Å
59	E	96.3	Very high	95.1	Very high	66 Å²	66	77.7 Å²	77.7	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-48.7	172.2	-176.4	176	138.7	0	0	111.9	N55 Y57 R61 T62 F63 K73	N55-E59 WeakPolarHBondContact O-CB 3.39Å; N55-E59 PolarHBondContact O-N 3.49Å; Y57-E59 VanDerWaalsContact C-N 3.32Å; Y57-E59 PolarHBondContact O-N 3.11Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.24Å; E59-T62 PolarHBondContact O-N 2.94Å; E59-F63 HydrophobicContact CG-CD2 3.47Å; E59-F63 VanDerWaalsContact CG-CD2 3.47Å; E59-F63 HydrophobicContact CG-CE2 3.48Å; E59-F63 VanDerWaalsContact CG-CE2 3.48Å; E59-F63 VanDerWaalsContact O-CD2 3.28Å; E59-F63 WeakPolarHBondContact O-CD2 3.47Å; E59-F63 PolarHBondContact O-N 3.31Å; E59-K73 IonicContact OE1-NZ 3.81Å; E59-K73 PolarHBondContact OE1-NZ 3.22Å; E59-K73 IonicContact OE2-NZ 3.21Å; E59-K73 PolarHBondContact OE2-NZ 2.97Å
60	M	95.1	Very high	95	Very high	9 Å²	9	75.2 Å²	75.2	4%	0.044	37%	0.368	C	S	.	.	H	α-helix	trans	-55.7	-44.2	175.9	172.9	-140.1	69	0	0	110.9	N56 Y57 N64 Q65 E67 A69 F70	N56-M60 WeakPolarHBondContact O-CB 3.43Å; N56-M60 PolarHBondContact O-N 3.1Å; N56-M60 VanDerWaalsContact O-N 3.08Å; Y57-M60 HydrophobicContact CD2-CE 4.03Å; Y57-M60 HydrophobicContact CE2-CE 3.9Å; Y57-M60 WeakPolarHBondContact O-CB 3.43Å; Y57-M60 PolarHBondContact O-N 3.21Å; M60-N64 PolarHBondContact O-N 3.31Å; M60-Q65 HydrophobicContact CB-CB 4.43Å; M60-Q65 HydrophobicContact CG-CB 3.84Å; M60-Q65 PolarHBondContact O-N 3.47Å; M60-E67 VanDerWaalsContact SD-CA 3.5Å; M60-E67 HydrophobicContact SD-CB 4.42Å; M60-E67 HydrophobicContact SD-CG 4.49Å; M60-A69 HydrophobicContact CG-CB 4.34Å; M60-F70 HydrophobicContact CB-CB 4.19Å; M60-F70 HydrophobicContact CG-CB 4.29Å; M60-F70 HydrophobicContact SD-CB 3.66Å
61	R	95.1	Very high	95.1	Very high	134 Å²	134	71.3 Å²	71.3	51%	0.506	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-47.4	176.1	-69.2	-175.3	66.1	-150.8	4.4	112.3	Y57 E58 E59 F63 N64	Y57-R61 HydrophobicContact CD1-CG 4.49Å; Y57-R61 HydrophobicContact CE1-CG 4.17Å; Y57-R61 WeakPolarHBondContact O-CG 3.49Å; Y57-R61 PolarHBondContact O-N 3.24Å; E58-R61 PolarHBondContact O-N 2.81Å; E58-R61 IonicContact OE1-NH1 3.59Å; E58-R61 PolarHBondContact OE1-NH1 3.07Å; E58-R61 IonicContact OE2-NH1 3.84Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.24Å; R61-F63 PolarHBondContact O-N 3Å; R61-N64 PolarHBondContact O-N 3.06Å; R61-N64 VanDerWaalsContact O-N 3.08Å
62	T	96.8	Very high	95.1	Very high	101 Å²	101	69.4 Å²	69.4	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-58.4	-39.1	-178.8	-62.1	0	0	0	0	111.5	E58 E59	E58-T62 VanDerWaalsContact O-CB 3.27Å; E58-T62 WeakPolarHBondContact O-CB 3.31Å; E58-T62 PolarHBondContact O-N 3.31Å; E58-T62 PolarHBondContact O-OG1 3.5Å; E59-T62 PolarHBondContact O-N 2.94Å
63	F	96.3	Very high	95	Very high	132 Å²	132	71.6 Å²	71.6	58%	0.579	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	10.2	179.7	-64.1	-55.3	0	0	0	114.3	E59 R61 Q65	E59-F63 HydrophobicContact CG-CD2 3.47Å; E59-F63 VanDerWaalsContact CG-CD2 3.47Å; E59-F63 HydrophobicContact CG-CE2 3.48Å; E59-F63 VanDerWaalsContact CG-CE2 3.48Å; E59-F63 VanDerWaalsContact O-CD2 3.28Å; E59-F63 WeakPolarHBondContact O-CD2 3.47Å; E59-F63 PolarHBondContact O-N 3.31Å; R61-F63 PolarHBondContact O-N 3Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.03Å; F63-Q65 VanDerWaalsContact O-N 3.16Å
64	N	94.5	Very high	95.1	Very high	154 Å²	154	71.5 Å²	71.5	82%	0.824	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	40.4	-177.4	-66.5	-49.1	0	0	0	112.9	M60 R61	M60-N64 PolarHBondContact O-N 3.31Å; R61-N64 PolarHBondContact O-N 3.06Å; R61-N64 VanDerWaalsContact O-N 3.08Å
65	Q	93.9	Very high	95.2	Very high	87 Å²	87	67.6 Å²	67.6	41%	0.407	32%	0.32	S	S	.	.			trans	-79.7	161.6	178.5	-65.9	176.6	-12.8	0	0	110.7	M60 F63 A69	M60-Q65 HydrophobicContact CB-CB 4.43Å; M60-Q65 HydrophobicContact CG-CB 3.84Å; M60-Q65 PolarHBondContact O-N 3.47Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.03Å; F63-Q65 VanDerWaalsContact O-N 3.16Å; Q65-A69 HydrophobicContact CB-CB 3.88Å
66	R	92.2	Very high	95.2	Very high	213 Å²	213	65.3 Å²	65.3	80%	0.804	31%	0.307	S	S	*	.			trans	-65.7	148.9	172	-64.6	-177.1	-179.5	177.2	-0.2	110.1	A68 A69	R66-A68 PolarHBondContact O-N 3.04Å; R66-A68 VanDerWaalsContact O-N 3.1Å; R66-A69 WeakPolarHBondContact O-CB 3.22Å; R66-A69 PolarHBondContact O-N 2.81Å
67	E	89.2	Confident	95.3	Very high	62 Å²	62	68.2 Å²	68.2	29%	0.29	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.9	-179.2	-65.5	-157.5	168.9	0	0	114	E37 N38 M60 A69 F70	E37-E67 WeakPolarHBondContact CB-OE2 3.43Å; E37-E67 HydrophobicContact CG-CB 4.23Å; E37-E67 WeakPolarHBondContact CG-OE2 3.41Å; N38-E67 PolarHBondContact ND2-OE1 3.17Å; N38-E67 VanDerWaalsContact ND2-OE1 3.13Å; N38-E67 PolarHBondContact ND2-OE2 3.09Å; M60-E67 VanDerWaalsContact SD-CA 3.5Å; M60-E67 HydrophobicContact SD-CB 4.42Å; M60-E67 HydrophobicContact SD-CG 4.49Å; E67-A69 PolarHBondContact O-N 2.98Å; E67-A69 VanDerWaalsContact O-N 3.08Å; E67-F70 WeakPolarHBondContact O-CB 3.3Å; E67-F70 PolarHBondContact O-N 3.03Å; E67-F70 VanDerWaalsContact O-N 3.11Å
68	A	92.8	Very high	95.5	Very high	28 Å²	28	64.8 Å²	64.8	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-25.2	175.3	0	0	0	0	0	113.9	K33 R66 F70 S71 Q72	K33-A68 HydrophobicContact CG-CB 4.14Å; R66-A68 PolarHBondContact O-N 3.04Å; R66-A68 VanDerWaalsContact O-N 3.1Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 2.98Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-Q72 VanDerWaalsContact O-CB 3.3Å; A68-Q72 WeakPolarHBondContact O-CB 3.27Å; A68-Q72 VanDerWaalsContact O-CG 3.22Å; A68-Q72 WeakPolarHBondContact O-CG 3.23Å; A68-Q72 PolarHBondContact O-N 2.92Å
69	A	94.2	Very high	95.5	Very high	22 Å²	22	63.4 Å²	63.4	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-37.5	178.6	0	0	0	0	0	111.8	M60 Q65 R66 E67 K73	M60-A69 HydrophobicContact CG-CB 4.34Å; Q65-A69 HydrophobicContact CB-CB 3.88Å; R66-A69 WeakPolarHBondContact O-CB 3.22Å; R66-A69 PolarHBondContact O-N 2.81Å; E67-A69 PolarHBondContact O-N 2.98Å; E67-A69 VanDerWaalsContact O-N 3.08Å; A69-K73 VanDerWaalsContact O-CB 3.24Å; A69-K73 WeakPolarHBondContact O-CB 3.41Å; A69-K73 PolarHBondContact O-N 3.23Å
70	F	95.3	Very high	95.6	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-52.3	173.2	157.7	-115.7	0	0	0	110.9	F43 C53 N56 Y57 M60 E67 A68 Q72 K73 T74	F43-F70 HydrophobicContact CD2-CE1 4.07Å; F43-F70 AromaticContact CD2-CZ 3.72Å; F43-F70 HydrophobicContact CD2-CZ 3.72Å; F43-F70 HydrophobicContact CE2-CD1 4.39Å; F43-F70 AromaticContact CE2-CE1 3.51Å; F43-F70 HydrophobicContact CE2-CE1 3.51Å; F43-F70 AromaticContact CE2-CZ 3.61Å; F43-F70 HydrophobicContact CE2-CZ 3.61Å; F43-F70 HydrophobicContact CZ-CE1 4.43Å; C53-F70 HydrophobicContact CB-CE2 4.41Å; C53-F70 VanDerWaalsContact O-CE2 3.26Å; C53-F70 WeakPolarHBondContact O-CE2 3.27Å; N56-F70 HydrophobicContact CB-CD2 3.83Å; N56-F70 HydrophobicContact CB-CE2 4.26Å; Y57-F70 HydrophobicContact CD2-CD1 4.22Å; Y57-F70 HydrophobicContact CD2-CG 4.19Å; M60-F70 HydrophobicContact CB-CB 4.19Å; M60-F70 HydrophobicContact CG-CB 4.29Å; M60-F70 HydrophobicContact SD-CB 3.66Å; E67-F70 WeakPolarHBondContact O-CB 3.3Å; E67-F70 PolarHBondContact O-N 3.03Å; E67-F70 VanDerWaalsContact O-N 3.11Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 2.98Å; F70-Q72 PolarHBondContact O-N 3.5Å; F70-K73 PolarHBondContact O-N 2.9Å; F70-T74 WeakPolarHBondContact CD2-OG1 3.41Å; F70-T74 VanDerWaalsContact CE2-OG1 3.28Å; F70-T74 WeakPolarHBondContact CE2-OG1 3.36Å; F70-T74 VanDerWaalsContact O-CB 3.27Å; F70-T74 WeakPolarHBondContact O-CB 3.3Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 2.97Å
71	S	96.1	Very high	95.6	Very high	5 Å²	5	69.6 Å²	69.6	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-44.1	-179.4	-60.9	0	0	0	0	112	A32 A68 T74 L75	A32-S71 WeakPolarHBondContact O-CB 3.45Å; A68-S71 PolarHBondContact O-N 2.87Å; S71-T74 PolarHBondContact O-N 3.26Å; S71-L75 WeakPolarHBondContact O-CB 3.39Å; S71-L75 PolarHBondContact O-N 3.45Å
72	Q	96.2	Very high	95.6	Very high	53 Å²	53	64.8 Å²	64.8	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-49.2	178.7	-76.3	179.5	-33.8	0	0	111.6	L29 A32 A68 F70 T74 L75 M76	L29-Q72 HydrophobicContact CD2-CB 3.76Å; L29-Q72 HydrophobicContact CD2-CG 3.88Å; L29-Q72 PolarHBondContact O-NE2 3.46Å; L29-Q72 VanDerWaalsContact O-NE2 3.15Å; A32-Q72 HydrophobicContact CB-CB 4.34Å; A32-Q72 HydrophobicContact CB-CG 3.82Å; A68-Q72 VanDerWaalsContact O-CB 3.3Å; A68-Q72 WeakPolarHBondContact O-CB 3.27Å; A68-Q72 VanDerWaalsContact O-CG 3.22Å; A68-Q72 WeakPolarHBondContact O-CG 3.23Å; A68-Q72 PolarHBondContact O-N 2.92Å; F70-Q72 PolarHBondContact O-N 3.5Å; Q72-T74 VanDerWaalsContact C-N 3.3Å; Q72-T74 PolarHBondContact O-N 3.18Å; Q72-L75 PolarHBondContact O-N 3.37Å; Q72-M76 VanDerWaalsContact O-CB 3.31Å; Q72-M76 WeakPolarHBondContact O-CB 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.21Å; Q72-M76 PolarHBondContact O-N 3.47Å
73	K	96.7	Very high	95.5	Very high	82 Å²	82	66.6 Å²	66.6	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-40.9	178.4	-171	172.7	-178.1	174.1	0	111.7	N56 E59 A69 F70 Y77	N56-K73 HydrophobicContact CB-CD 4.33Å; N56-K73 WeakPolarHBondContact OD1-CD 3.36Å; N56-K73 VanDerWaalsContact OD1-CE 3.25Å; N56-K73 WeakPolarHBondContact OD1-CE 3.42Å; E59-K73 IonicContact OE1-NZ 3.81Å; E59-K73 PolarHBondContact OE1-NZ 3.22Å; E59-K73 IonicContact OE2-NZ 3.21Å; E59-K73 PolarHBondContact OE2-NZ 2.97Å; A69-K73 VanDerWaalsContact O-CB 3.24Å; A69-K73 WeakPolarHBondContact O-CB 3.41Å; A69-K73 PolarHBondContact O-N 3.23Å; F70-K73 PolarHBondContact O-N 2.9Å; K73-Y77 WeakPolarHBondContact O-CB 3.02Å; K73-Y77 PolarHBondContact O-N 3.31Å
74	T	97.2	Very high	95.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-42.5	-177.8	-55.7	0	0	0	0	112	F43 I48 N56 F70 S71 Q72 Y77 W78	F43-T74 HydrophobicContact CB-CG2 4.04Å; F43-T74 HydrophobicContact CD1-CG2 3.52Å; F43-T74 HydrophobicContact CD2-CG2 4.12Å; F43-T74 HydrophobicContact CE1-CG2 4.01Å; F43-T74 HydrophobicContact CG-CG2 3.6Å; I48-T74 HydrophobicContact CD1-CG2 3.66Å; I48-T74 HydrophobicContact CG2-CG2 4.16Å; N56-T74 PolarHBondContact ND2-OG1 3.49Å; F70-T74 WeakPolarHBondContact CD2-OG1 3.41Å; F70-T74 VanDerWaalsContact CE2-OG1 3.28Å; F70-T74 WeakPolarHBondContact CE2-OG1 3.36Å; F70-T74 VanDerWaalsContact O-CB 3.27Å; F70-T74 WeakPolarHBondContact O-CB 3.3Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 2.97Å; S71-T74 PolarHBondContact O-N 3.26Å; Q72-T74 VanDerWaalsContact C-N 3.3Å; Q72-T74 PolarHBondContact O-N 3.18Å; T74-Y77 WeakPolarHBondContact O-CB 2.81Å; T74-Y77 PolarHBondContact O-N 2.95Å; T74-W78 PolarHBondContact O-N 2.94Å
75	L	97.2	Very high	95.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-73	-33.7	178.1	-160.4	63.5	0	0	0	112.6	I28 I31 A32 L46 S71 Q72 Y77 W78 K79 L94	I28-L75 HydrophobicContact CG2-CB 4.09Å; I28-L75 HydrophobicContact CG2-CD2 3.81Å; I28-L75 HydrophobicContact CG2-CG 3.7Å; I31-L75 HydrophobicContact CB-CD2 4.34Å; I31-L75 HydrophobicContact CG2-CD2 3.98Å; A32-L75 HydrophobicContact CB-CB 4.02Å; A32-L75 HydrophobicContact CB-CD2 3.87Å; L46-L75 HydrophobicContact CD1-CD1 3.4Å; L46-L75 VanDerWaalsContact CD1-CD1 3.4Å; S71-L75 WeakPolarHBondContact O-CB 3.39Å; S71-L75 PolarHBondContact O-N 3.45Å; Q72-L75 PolarHBondContact O-N 3.37Å; L75-Y77 VanDerWaalsContact C-N 3.32Å; L75-Y77 PolarHBondContact O-N 3.43Å; L75-W78 HydrophobicContact CD1-CB 4.49Å; L75-W78 HydrophobicContact CD1-CD2 4.34Å; L75-W78 HydrophobicContact CD1-CE3 3.9Å; L75-W78 HydrophobicContact CG-CE3 4.31Å; L75-W78 WeakPolarHBondContact O-CB 3.41Å; L75-W78 PolarHBondContact O-N 3.18Å; L75-K79 PolarHBondContact O-N 3.36Å; L75-L94 HydrophobicContact CD1-CD1 4.1Å
76	M	97.8	Very high	95.8	Very high	50 Å²	50	65.1 Å²	65.1	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-38.3	170.4	-73.9	-57.6	-62.7	0	0	112	D25 I28 L29 Q72 K79 K80	D25-M76 HydrophobicContact CB-CE 4.14Å; I28-M76 HydrophobicContact CB-SD 4.09Å; I28-M76 HydrophobicContact CG2-CG 4.47Å; I28-M76 HydrophobicContact CG2-SD 3.72Å; L29-M76 HydrophobicContact CD2-CG 3.76Å; L29-M76 HydrophobicContact CD2-SD 4.2Å; L29-M76 HydrophobicContact CG-CG 4.38Å; L29-M76 HydrophobicContact CG-SD 4.16Å; Q72-M76 VanDerWaalsContact O-CB 3.31Å; Q72-M76 WeakPolarHBondContact O-CB 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.21Å; Q72-M76 PolarHBondContact O-N 3.47Å; M76-K79 PolarHBondContact O-N 2.96Å; M76-K80 PolarHBondContact O-N 3.5Å
77	Y	97.9	Very high	95.9	Very high	74 Å²	74	58.6 Å²	58.6	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-42	172.4	179.4	-93.9	0	0	0	111.9	I48 I52 K73 T74 L75 K79 K80 L81	I48-Y77 HydrophobicContact CG2-CD1 3.97Å; I48-Y77 HydrophobicContact CG2-CE1 4.23Å; I52-Y77 HydrophobicContact CB-CE1 4.2Å; I52-Y77 HydrophobicContact CD1-CE2 4.34Å; I52-Y77 HydrophobicContact CG1-CE1 3.87Å; I52-Y77 HydrophobicContact CG2-CD1 3.7Å; I52-Y77 HydrophobicContact CG2-CD2 4.26Å; I52-Y77 HydrophobicContact CG2-CE1 3.78Å; I52-Y77 HydrophobicContact CG2-CE2 4.37Å; I52-Y77 HydrophobicContact CG2-CG 3.94Å; K73-Y77 WeakPolarHBondContact O-CB 3.02Å; K73-Y77 PolarHBondContact O-N 3.31Å; T74-Y77 WeakPolarHBondContact O-CB 2.81Å; T74-Y77 PolarHBondContact O-N 2.95Å; L75-Y77 VanDerWaalsContact C-N 3.32Å; L75-Y77 PolarHBondContact O-N 3.43Å; Y77-K79 PolarHBondContact O-N 3.36Å; Y77-K80 WeakPolarHBondContact O-CB 3.45Å; Y77-K80 PolarHBondContact O-N 3.28Å; Y77-L81 HydrophobicContact CD1-CD1 3.83Å; Y77-L81 HydrophobicContact CD1-CG 4.02Å; Y77-L81 HydrophobicContact CE1-CD1 3.31Å; Y77-L81 HydrophobicContact CE1-CD2 4Å; Y77-L81 HydrophobicContact CE1-CG 3.58Å; Y77-L81 PolarHBondContact O-N 3.2Å
78	W	98.1	Very high	96.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-45.8	173	165.5	80.8	0	0	0	112.4	I28 L46 I48 T74 L75 K80 L81 R82 K90 L94	I28-W78 HydrophobicContact CD1-CZ3 4.2Å; L46-W78 HydrophobicContact CB-CG 4.3Å; L46-W78 HydrophobicContact CD1-CD2 4.1Å; L46-W78 HydrophobicContact CD1-CG 4.04Å; L46-W78 HydrophobicContact CD2-CD2 4.48Å; L46-W78 HydrophobicContact CD2-CZ2 4.14Å; I48-W78 HydrophobicContact CD1-CB 3.6Å; I48-W78 HydrophobicContact CD1-CG 4.42Å; I48-W78 HydrophobicContact CG1-CB 3.92Å; T74-W78 PolarHBondContact O-N 2.94Å; L75-W78 HydrophobicContact CD1-CB 4.49Å; L75-W78 HydrophobicContact CD1-CD2 4.34Å; L75-W78 HydrophobicContact CD1-CE3 3.9Å; L75-W78 HydrophobicContact CG-CE3 4.31Å; L75-W78 WeakPolarHBondContact O-CB 3.41Å; L75-W78 PolarHBondContact O-N 3.18Å; W78-K80 PolarHBondContact O-N 3.07Å; W78-L81 WeakPolarHBondContact O-CB 3.19Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.1Å; W78-R82 WeakPolarHBondContact O-CG 3.38Å; W78-R82 PolarHBondContact O-N 3.3Å; W78-K90 HydrophobicContact CH2-CB 4.18Å; W78-K90 HydrophobicContact CZ2-CB 4.32Å; W78-L94 HydrophobicContact CH2-CB 3.78Å; W78-L94 HydrophobicContact CH2-CD1 4.44Å; W78-L94 HydrophobicContact CH2-CD2 4.03Å; W78-L94 HydrophobicContact CH2-CG 4.31Å; W78-L94 HydrophobicContact CZ2-CB 4.15Å; W78-L94 HydrophobicContact CZ3-CD1 4.46Å; W78-L94 HydrophobicContact CZ3-CD2 4.06Å
79	K	97.3	Very high	96.5	Very high	53 Å²	53	64.2 Å²	64.2	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-56.3	-43.7	176.5	-176.2	-176	173.1	178.3	0	111	L23 D25 I28 L75 M76 Y77 R82 E83	L23-K79 WeakPolarHBondContact O-CE 3.44Å; L23-K79 PolarHBondContact O-NZ 3.1Å; D25-K79 IonicContact OD1-NZ 2.77Å; D25-K79 PolarHBondContact OD1-NZ 2.81Å; I28-K79 HydrophobicContact CG1-CD 4.11Å; L75-K79 PolarHBondContact O-N 3.36Å; M76-K79 PolarHBondContact O-N 2.96Å; Y77-K79 PolarHBondContact O-N 3.36Å; K79-R82 CarbonylContact O-C 3.01Å; K79-R82 PolarHBondContact O-N 2.91Å; K79-R82 VanDerWaalsContact O-N 3.11Å; K79-E83 PolarHBondContact O-N 3.12Å
80	K	97	Very high	96.7	Very high	137 Å²	137	64.2 Å²	64.2	60%	0.596	31%	0.313	S	S	*	.	H	α-helix	trans	-61.1	-43.4	175.7	-173	176.5	-176.1	176.2	0	112.7	M76 Y77 W78 R82 E83	M76-K80 PolarHBondContact O-N 3.5Å; Y77-K80 WeakPolarHBondContact O-CB 3.45Å; Y77-K80 PolarHBondContact O-N 3.28Å; W78-K80 PolarHBondContact O-N 3.07Å; K80-R82 PolarHBondContact O-N 3.41Å; K80-E83 WeakPolarHBondContact CG-OE1 3.35Å; K80-E83 VanDerWaalsContact O-CG 3.28Å; K80-E83 WeakPolarHBondContact O-CG 3.46Å; K80-E83 PolarHBondContact O-N 2.9Å
81	L	95.6	Very high	96.8	Very high	68 Å²	68	64.6 Å²	64.6	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-17.2	175.7	-74.6	-178	0	0	0	113.7	Y77 W78	Y77-L81 HydrophobicContact CD1-CD1 3.83Å; Y77-L81 HydrophobicContact CD1-CG 4.02Å; Y77-L81 HydrophobicContact CE1-CD1 3.31Å; Y77-L81 HydrophobicContact CE1-CD2 4Å; Y77-L81 HydrophobicContact CE1-CG 3.58Å; Y77-L81 PolarHBondContact O-N 3.2Å; W78-L81 WeakPolarHBondContact O-CB 3.19Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.1Å
82	R	95.8	Very high	96.9	Very high	33 Å²	33	67 Å²	67	13%	0.125	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	15.1	-177.4	-62.5	-63.2	-170.7	-78.1	-10.8	112.6	L46 W78 K79 K80 T84 V85 K90 E93	L46-R82 PolarHBondContact O-NH2 3.15Å; W78-R82 WeakPolarHBondContact O-CG 3.38Å; W78-R82 PolarHBondContact O-N 3.3Å; K79-R82 CarbonylContact O-C 3.01Å; K79-R82 PolarHBondContact O-N 2.91Å; K79-R82 VanDerWaalsContact O-N 3.11Å; K80-R82 PolarHBondContact O-N 3.41Å; R82-T84 PolarHBondContact O-N 3.32Å; R82-T84 VanDerWaalsContact O-N 3.07Å; R82-V85 HydrophobicContact CB-CB 4.16Å; R82-V85 HydrophobicContact CB-CG2 4.25Å; R82-V85 WeakPolarHBondContact O-CB 3.4Å; R82-V85 PolarHBondContact O-N 3.42Å; R82-K90 HydrophobicContact CB-CD 4.22Å; R82-K90 HydrophobicContact CB-CG 4.05Å; R82-K90 WeakPolarHBondContact O-CE 3.49Å; R82-K90 PolarHBondContact O-NZ 2.89Å; R82-E93 IonicContact CZ-OE2 2.93Å; R82-E93 IonicContact NE-OE1 3.33Å; R82-E93 IonicContact NE-OE2 3.47Å; R82-E93 PolarHBondContact NE-OE2 3.31Å; R82-E93 IonicContact NH2-OE2 2.75Å; R82-E93 PolarHBondContact NH2-OE2 3.01Å
83	E	95	Very high	97	Very high	139 Å²	139	67.2 Å²	67.2	65%	0.65	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-41.8	-177.8	-84.6	172.4	-172.4	0	0	113.5	K79 K80	K79-E83 PolarHBondContact O-N 3.12Å; K80-E83 WeakPolarHBondContact CG-OE1 3.35Å; K80-E83 VanDerWaalsContact O-CG 3.28Å; K80-E83 WeakPolarHBondContact O-CG 3.46Å; K80-E83 PolarHBondContact O-N 2.9Å
84	T	95.6	Very high	97.1	Very high	142 Å²	142	63.3 Å²	63.3	87%	0.871	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.1	-178.2	64.3	0	0	0	0	114.4	R82	R82-T84 PolarHBondContact O-N 3.32Å; R82-T84 VanDerWaalsContact O-N 3.07Å
85	V	97	Very high	97.2	Very high	41 Å²	41	65.9 Å²	65.9	25%	0.248	33%	0.331	C	S	.	.	S	Bend	trans	-82	150.7	-179.8	179.4	0	0	0	0	109	R82 I89 K90	R82-V85 HydrophobicContact CB-CB 4.16Å; R82-V85 HydrophobicContact CB-CG2 4.25Å; R82-V85 WeakPolarHBondContact O-CB 3.4Å; R82-V85 PolarHBondContact O-N 3.42Å; V85-I89 HydrophobicContact CG1-CB 3.78Å; V85-I89 HydrophobicContact CG1-CD1 4.46Å; V85-I89 HydrophobicContact CG1-CG2 3.75Å; V85-K90 HydrophobicContact CB-CG 4.27Å; V85-K90 HydrophobicContact CG1-CG 4.09Å; V85-K90 WeakPolarHBondContact O-CE 3.39Å; V85-K90 PolarHBondContact O-NZ 3.17Å
86	K	96.8	Very high	97.3	Very high	159 Å²	159	72 Å²	72	69%	0.691	36%	0.355	S	S	*	.			trans	-71.1	144.3	175.4	-65.6	-176	178.1	-177.5	0	110.7	D88 I89 K90	K86-D88 PolarHBondContact O-N 3.07Å; K86-I89 HydrophobicContact CB-CD1 4.15Å; K86-I89 HydrophobicContact CB-CG1 4.3Å; K86-I89 WeakPolarHBondContact O-CB 3.36Å; K86-I89 PolarHBondContact O-N 2.85Å; K86-K90 PolarHBondContact O-N 3.45Å; K86-K90 VanDerWaalsContact O-N 3.12Å
87	D	96.2	Very high	97.3	Very high	76 Å²	76	69.7 Å²	69.7	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-41.4	-175.7	-73.2	-3.4	0	0	0	112.8	L23 I89 K90 I91	L23-D87 HydrophobicContact CD1-CB 3.85Å; D87-I89 PolarHBondContact O-N 2.93Å; D87-K90 WeakPolarHBondContact O-CB 3.39Å; D87-K90 PolarHBondContact O-N 3.42Å; D87-K90 WeakPolarHBondContact OD1-CE 3.49Å; D87-K90 IonicContact OD1-NZ 3.13Å; D87-K90 PolarHBondContact OD1-NZ 2.89Å; D87-I91 HydrophobicContact CB-CD1 4.43Å; D87-I91 WeakPolarHBondContact O-CD1 3.23Å; D87-I91 WeakPolarHBondContact O-CG1 3.37Å; D87-I91 PolarHBondContact O-N 3.48Å
88	D	96.3	Very high	97.3	Very high	124 Å²	124	66.1 Å²	66.1	66%	0.663	33%	0.329	S	S	*	.	H	α-helix	trans	-56.1	-35.9	176	-64.4	-31.1	0	0	0	112.8	K86 A92	K86-D88 PolarHBondContact O-N 3.07Å; D88-A92 WeakPolarHBondContact O-CB 3.37Å; D88-A92 PolarHBondContact O-N 3.05Å
89	I	97.9	Very high	97.3	Very high	83 Å²	83	69.5 Å²	69.5	43%	0.426	34%	0.342	S	S	.	.	H	α-helix	trans	-72.6	-42.8	177.2	-58.8	174	0	0	0	109.9	V85 K86 D87 I91 A92 E93	V85-I89 HydrophobicContact CG1-CB 3.78Å; V85-I89 HydrophobicContact CG1-CD1 4.46Å; V85-I89 HydrophobicContact CG1-CG2 3.75Å; K86-I89 HydrophobicContact CB-CD1 4.15Å; K86-I89 HydrophobicContact CB-CG1 4.3Å; K86-I89 WeakPolarHBondContact O-CB 3.36Å; K86-I89 PolarHBondContact O-N 2.85Å; D87-I89 PolarHBondContact O-N 2.93Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.43Å; I89-A92 PolarHBondContact O-N 3.46Å; I89-E93 HydrophobicContact CG2-CG 4.49Å; I89-E93 WeakPolarHBondContact O-CG 3.33Å; I89-E93 PolarHBondContact O-N 2.93Å
90	K	98	Very high	97.3	Very high	23 Å²	23	72 Å²	72	10%	0.1	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-43	176.2	-61.1	172.2	-158.4	168.2	0	111.4	L23 W78 R82 V85 K86 D87 E93 L94	L23-K90 HydrophobicContact CD1-CB 3.89Å; L23-K90 HydrophobicContact CD1-CD 3.75Å; L23-K90 HydrophobicContact CD1-CG 4.47Å; W78-K90 HydrophobicContact CH2-CB 4.18Å; W78-K90 HydrophobicContact CZ2-CB 4.32Å; R82-K90 HydrophobicContact CB-CD 4.22Å; R82-K90 HydrophobicContact CB-CG 4.05Å; R82-K90 WeakPolarHBondContact O-CE 3.49Å; R82-K90 PolarHBondContact O-NZ 2.89Å; V85-K90 HydrophobicContact CB-CG 4.27Å; V85-K90 HydrophobicContact CG1-CG 4.09Å; V85-K90 WeakPolarHBondContact O-CE 3.39Å; V85-K90 PolarHBondContact O-NZ 3.17Å; K86-K90 PolarHBondContact O-N 3.45Å; K86-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 WeakPolarHBondContact O-CB 3.39Å; D87-K90 PolarHBondContact O-N 3.42Å; D87-K90 WeakPolarHBondContact OD1-CE 3.49Å; D87-K90 IonicContact OD1-NZ 3.13Å; D87-K90 PolarHBondContact OD1-NZ 2.89Å; K90-E93 PolarHBondContact O-N 3.29Å; K90-L94 WeakPolarHBondContact O-CB 3.27Å; K90-L94 PolarHBondContact O-N 3.16Å
91	I	98	Very high	97.2	Very high	12 Å²	12	65.5 Å²	65.5	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-46.7	179.3	-68.7	152.8	0	0	0	109.6	V22 L23 D87 I89 E93 L94 E95 N114	V22-I91 HydrophobicContact CG1-CD1 4.15Å; V22-I91 HydrophobicContact CG1-CG1 4.25Å; L23-I91 HydrophobicContact CD1-CD1 4.41Å; L23-I91 HydrophobicContact CD1-CG1 4.13Å; L23-I91 HydrophobicContact CD2-CG1 4.05Å; L23-I91 HydrophobicContact CG-CG1 4.17Å; D87-I91 HydrophobicContact CB-CD1 4.43Å; D87-I91 WeakPolarHBondContact O-CD1 3.23Å; D87-I91 WeakPolarHBondContact O-CG1 3.37Å; D87-I91 PolarHBondContact O-N 3.48Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.43Å; I91-E93 PolarHBondContact O-N 2.81Å; I91-L94 PolarHBondContact O-N 2.96Å; I91-E95 VanDerWaalsContact O-CB 3.27Å; I91-E95 WeakPolarHBondContact O-CB 3.36Å; I91-E95 PolarHBondContact O-N 2.81Å; I91-N114 HydrophobicContact CD1-CB 4.44Å; I91-N114 VanDerWaalsContact CD1-CG 3.44Å; I91-N114 WeakPolarHBondContact CD1-OD1 3.38Å; I91-N114 HydrophobicContact CG2-CB 4.48Å
92	A	98.3	Very high	97.2	Very high	54 Å²	54	67.3 Å²	67.3	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-41.9	176.6	0	0	0	0	0	112.7	D88 I89 Y96	D88-A92 WeakPolarHBondContact O-CB 3.37Å; D88-A92 PolarHBondContact O-N 3.05Å; I89-A92 PolarHBondContact O-N 3.46Å; A92-Y96 VanDerWaalsContact O-CB 3.27Å; A92-Y96 WeakPolarHBondContact O-CB 3.48Å; A92-Y96 PolarHBondContact O-N 3.33Å
93	E	98.4	Very high	97.2	Very high	58 Å²	58	66.6 Å²	66.6	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-45.9	175.1	-76.3	-177.6	-166.9	0	0	111.8	L46 R82 I89 K90 I91 Y96 A97	L46-E93 HydrophobicContact CD2-CB 4.46Å; R82-E93 IonicContact CZ-OE2 2.93Å; R82-E93 IonicContact NE-OE1 3.33Å; R82-E93 IonicContact NE-OE2 3.47Å; R82-E93 PolarHBondContact NE-OE2 3.31Å; R82-E93 IonicContact NH2-OE2 2.75Å; R82-E93 PolarHBondContact NH2-OE2 3.01Å; I89-E93 HydrophobicContact CG2-CG 4.49Å; I89-E93 WeakPolarHBondContact O-CG 3.33Å; I89-E93 PolarHBondContact O-N 2.93Å; K90-E93 PolarHBondContact O-N 3.29Å; I91-E93 PolarHBondContact O-N 2.81Å; E93-Y96 PolarHBondContact O-N 3.18Å; E93-A97 WeakPolarHBondContact O-CB 3.5Å; E93-A97 PolarHBondContact O-N 3.48Å
94	L	98.4	Very high	97.2	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.6	-42.5	-179.1	-175	59.6	0	0	0	112.3	I28 I31 L46 L75 W78 K90 I91 Y96 A97 L98 L110	I28-L94 HydrophobicContact CD1-CD2 4.11Å; I31-L94 HydrophobicContact CD1-CD2 4.15Å; L46-L94 HydrophobicContact CD1-CD1 4.04Å; L46-L94 HydrophobicContact CD2-CD1 4.32Å; L75-L94 HydrophobicContact CD1-CD1 4.1Å; W78-L94 HydrophobicContact CH2-CB 3.78Å; W78-L94 HydrophobicContact CH2-CD1 4.44Å; W78-L94 HydrophobicContact CH2-CD2 4.03Å; W78-L94 HydrophobicContact CH2-CG 4.31Å; W78-L94 HydrophobicContact CZ2-CB 4.15Å; W78-L94 HydrophobicContact CZ3-CD1 4.46Å; W78-L94 HydrophobicContact CZ3-CD2 4.06Å; K90-L94 WeakPolarHBondContact O-CB 3.27Å; K90-L94 PolarHBondContact O-N 3.16Å; I91-L94 PolarHBondContact O-N 2.96Å; L94-Y96 VanDerWaalsContact C-N 3.35Å; L94-Y96 PolarHBondContact O-N 3.41Å; L94-A97 PolarHBondContact O-N 2.97Å; L94-L98 HydrophobicContact CD1-CD1 4.3Å; L94-L98 HydrophobicContact CD1-CG 4.23Å; L94-L98 HydrophobicContact CG-CD1 4.05Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.23Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.77Å; L94-L110 HydrophobicContact CB-CD2 3.89Å; L94-L110 HydrophobicContact CD2-CD1 4.16Å; L94-L110 HydrophobicContact CD2-CD2 3.85Å; L94-L110 HydrophobicContact CG-CD2 3.72Å
95	E	98.6	Very high	97.2	Very high	55 Å²	55	65.5 Å²	65.5	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-57.3	-50.2	173	-174.1	-168.2	173	0	0	110.5	I91 A97 L98 R99 A107 L110 V111	I91-E95 VanDerWaalsContact O-CB 3.27Å; I91-E95 WeakPolarHBondContact O-CB 3.36Å; I91-E95 PolarHBondContact O-N 2.81Å; E95-A97 PolarHBondContact O-N 2.81Å; E95-L98 PolarHBondContact O-N 2.69Å; E95-R99 HydrophobicContact CG-CG 4.47Å; E95-R99 WeakPolarHBondContact O-CG 3.33Å; E95-R99 PolarHBondContact O-N 2.97Å; E95-R99 IonicContact OE1-CZ 3.25Å; E95-R99 VanDerWaalsContact OE1-CZ 3.32Å; E95-R99 IonicContact OE1-NE 2.79Å; E95-R99 PolarHBondContact OE1-NE 3.23Å; E95-R99 IonicContact OE1-NH2 2.81Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å; E95-A107 HydrophobicContact CG-CB 4.13Å; E95-L110 HydrophobicContact CB-CD2 4.21Å; E95-V111 HydrophobicContact CG-CG2 3.83Å; E95-V111 WeakPolarHBondContact OE2-CG2 3.2Å
96	Y	98.6	Very high	97.2	Very high	130 Å²	130	64.4 Å²	64.4	51%	0.51	31%	0.31	S	S	.	.	H	α-helix	trans	-56.4	-51.3	178.3	172.7	-99.2	0	0	0	111.2	L45 A92 E93 L94 L98 R99 Q100	L45-Y96 HydrophobicContact CD2-CE1 3.97Å; A92-Y96 VanDerWaalsContact O-CB 3.27Å; A92-Y96 WeakPolarHBondContact O-CB 3.48Å; A92-Y96 PolarHBondContact O-N 3.33Å; E93-Y96 PolarHBondContact O-N 3.18Å; L94-Y96 VanDerWaalsContact C-N 3.35Å; L94-Y96 PolarHBondContact O-N 3.41Å; Y96-L98 PolarHBondContact O-N 3Å; Y96-R99 PolarHBondContact O-N 2.93Å; Y96-Q100 HydrophobicContact CD1-CG 4.4Å; Y96-Q100 HydrophobicContact CD2-CG 3.87Å; Y96-Q100 HydrophobicContact CE1-CG 4.05Å; Y96-Q100 HydrophobicContact CE2-CG 3.46Å; Y96-Q100 VanDerWaalsContact CE2-CG 3.46Å; Y96-Q100 HydrophobicContact CG-CG 4.33Å; Y96-Q100 WeakPolarHBondContact O-CB 3.35Å; Y96-Q100 WeakPolarHBondContact O-CG 3.09Å; Y96-Q100 PolarHBondContact O-N 3.34Å
97	A	98.3	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-47.2	-179.3	0	0	0	0	0	112	V42 L45 L46 E93 L94 E95 R99 Q100 S101	V42-A97 HydrophobicContact CG1-CB 4.46Å; L45-A97 HydrophobicContact CB-CB 3.82Å; L46-A97 HydrophobicContact CD2-CB 3.56Å; L46-A97 HydrophobicContact CG-CB 3.66Å; E93-A97 WeakPolarHBondContact O-CB 3.5Å; E93-A97 PolarHBondContact O-N 3.48Å; L94-A97 PolarHBondContact O-N 2.97Å; E95-A97 PolarHBondContact O-N 2.81Å; A97-R99 PolarHBondContact O-N 2.79Å; A97-Q100 PolarHBondContact O-N 2.64Å; A97-S101 WeakPolarHBondContact O-CB 3.48Å; A97-S101 PolarHBondContact O-N 3Å; A97-S101 PolarHBondContact O-OG 3.1Å
98	L	97.9	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-43.5	178.2	-70.6	172.3	0	0	0	111.9	I31 L35 L94 E95 Y96 S101 H103 L106 A107 L110	I31-L98 HydrophobicContact CG2-CD1 4.41Å; I31-L98 HydrophobicContact CG2-CD2 4.21Å; L35-L98 HydrophobicContact CD2-CD2 3.68Å; L94-L98 HydrophobicContact CD1-CD1 4.3Å; L94-L98 HydrophobicContact CD1-CG 4.23Å; L94-L98 HydrophobicContact CG-CD1 4.05Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.23Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.77Å; E95-L98 PolarHBondContact O-N 2.69Å; Y96-L98 PolarHBondContact O-N 3Å; L98-S101 PolarHBondContact O-N 2.52Å; L98-S101 PolarHBondContact O-OG 3.35Å; L98-H103 HydrophobicContact CB-CB 4.23Å; L98-H103 HydrophobicContact CD2-CB 3.94Å; L98-H103 CarbonylContact O-C 3.42Å; L98-H103 VanDerWaalsContact O-CA 3.3Å; L98-H103 WeakPolarHBondContact O-CA 3.47Å; L98-H103 WeakPolarHBondContact O-CB 3.23Å; L98-H103 PolarHBondContact O-N 3.17Å; L98-L106 HydrophobicContact CD1-CB 4.12Å; L98-L106 HydrophobicContact CD2-CB 4.21Å; L98-L106 HydrophobicContact CD2-CD1 4.31Å; L98-A107 HydrophobicContact CB-CB 3.89Å; L98-L110 HydrophobicContact CD1-CD2 4.16Å
99	R	97.7	Very high	97.4	Very high	72 Å²	72	52.2 Å²	52.2	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-42.7	178.4	-70.7	-172.9	-174.1	-66.6	-0.9	112.4	E95 Y96 A97 S101 D102 A107 D108	E95-R99 HydrophobicContact CG-CG 4.47Å; E95-R99 WeakPolarHBondContact O-CG 3.33Å; E95-R99 PolarHBondContact O-N 2.97Å; E95-R99 IonicContact OE1-CZ 3.25Å; E95-R99 VanDerWaalsContact OE1-CZ 3.32Å; E95-R99 IonicContact OE1-NE 2.79Å; E95-R99 PolarHBondContact OE1-NE 3.23Å; E95-R99 IonicContact OE1-NH2 2.81Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å; Y96-R99 PolarHBondContact O-N 2.93Å; A97-R99 PolarHBondContact O-N 2.79Å; R99-S101 VanDerWaalsContact C-N 3.29Å; R99-S101 PolarHBondContact O-N 2.85Å; R99-D102 PolarHBondContact O-N 3.08Å; R99-A107 HydrophobicContact CG-CB 3.47Å; R99-A107 VanDerWaalsContact CG-CB 3.47Å; R99-D108 IonicContact CZ-OD1 2.58Å; R99-D108 VanDerWaalsContact CZ-OD1 3.25Å; R99-D108 IonicContact NH1-OD1 2.64Å; R99-D108 PolarHBondContact NH1-OD1 3.34Å; R99-D108 IonicContact NH2-OD1 2.68Å; R99-D108 PolarHBondContact NH2-OD1 3.27Å
100	Q	97.3	Very high	97.5	Very high	107 Å²	107	48.2 Å²	48.2	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-76.3	-15.9	-177.1	-64.3	-44.2	-62.9	0	0	113.5	L45 Y96 A97	L45-Q100 HydrophobicContact CD1-CB 3.64Å; L45-Q100 HydrophobicContact CD2-CB 4.34Å; Y96-Q100 HydrophobicContact CD1-CG 4.4Å; Y96-Q100 HydrophobicContact CD2-CG 3.87Å; Y96-Q100 HydrophobicContact CE1-CG 4.05Å; Y96-Q100 HydrophobicContact CE2-CG 3.46Å; Y96-Q100 VanDerWaalsContact CE2-CG 3.46Å; Y96-Q100 HydrophobicContact CG-CG 4.33Å; Y96-Q100 WeakPolarHBondContact O-CB 3.35Å; Y96-Q100 WeakPolarHBondContact O-CG 3.09Å; Y96-Q100 PolarHBondContact O-N 3.34Å; A97-Q100 PolarHBondContact O-N 2.64Å
101	S	95.9	Very high	97.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	24	173.6	66.6	0	0	0	0	113	R41 V42 A97 L98 R99 H103	R41-S101 PolarHBondContact NH2-O 3.41Å; R41-S101 VanDerWaalsContact NH2-O 3.15Å; V42-S101 WeakPolarHBondContact CG2-OG 2.92Å; A97-S101 WeakPolarHBondContact O-CB 3.48Å; A97-S101 PolarHBondContact O-N 3Å; A97-S101 PolarHBondContact O-OG 3.1Å; L98-S101 PolarHBondContact O-N 2.52Å; L98-S101 PolarHBondContact O-OG 3.35Å; R99-S101 VanDerWaalsContact C-N 3.29Å; R99-S101 PolarHBondContact O-N 2.85Å; S101-H103 VanDerWaalsContact C-N 3.28Å; S101-H103 PolarHBondContact O-CD2 3.48Å; S101-H103 PolarHBondContact O-N 3.16Å; S101-H103 PolarHBondContact O-NE2 3.12Å; S101-H103 PolarHBondContact OG-CD2 3.15Å
102	D	94.4	Very high	97.4	Very high	105 Å²	105	54 Å²	54	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	14.8	178	-54.1	-55.3	0	0	0	116.5	R41 R99 K104	R41-D102 IonicContact CZ-OD2 3.03Å; R41-D102 IonicContact NH1-OD2 3.82Å; R41-D102 PolarHBondContact NH1-OD2 2.96Å; R41-D102 IonicContact NH2-OD2 2.81Å; R41-D102 PolarHBondContact NH2-OD2 3.08Å; R99-D102 PolarHBondContact O-N 3.08Å; D102-K104 VanDerWaalsContact C-N 3.33Å; D102-K104 PolarHBondContact O-N 3.36Å
103	H	95.8	Very high	97.4	Very high	18 Å²	18	53.5 Å²	53.5	8%	0.083	25%	0.249	C	C	.	.			trans	-94.2	50.4	173.7	-58.8	-55.4	0	0	0	111.9	T36 D39 L98 S101 E105 L106 A107	T36-H103 PolarHBondContact N-CE1 3.43Å; T36-H103 PolarHBondContact OG1-CE1 2.92Å; D39-H103 IonicContact OD2-CE1 3.7Å; D39-H103 IonicContact OD2-NE2 3.8Å; D39-H103 PolarHBondContact OD2-NE2 3.3Å; D39-H103 VanDerWaalsContact OD2-NE2 3.13Å; L98-H103 HydrophobicContact CB-CB 4.23Å; L98-H103 HydrophobicContact CD2-CB 3.94Å; L98-H103 CarbonylContact O-C 3.42Å; L98-H103 VanDerWaalsContact O-CA 3.3Å; L98-H103 WeakPolarHBondContact O-CA 3.47Å; L98-H103 WeakPolarHBondContact O-CB 3.23Å; L98-H103 PolarHBondContact O-N 3.17Å; S101-H103 VanDerWaalsContact C-N 3.28Å; S101-H103 PolarHBondContact O-CD2 3.48Å; S101-H103 PolarHBondContact O-N 3.16Å; S101-H103 PolarHBondContact O-NE2 3.12Å; S101-H103 PolarHBondContact OG-CD2 3.15Å; H103-E105 VanDerWaalsContact C-N 3.35Å; H103-E105 PolarHBondContact O-N 2.81Å; H103-L106 HydrophobicContact CB-CB 4.15Å; H103-L106 HydrophobicContact CB-CD1 3.95Å; H103-L106 HydrophobicContact CB-CG 4.19Å; H103-L106 PolarHBondContact O-N 2.94Å; H103-A107 PolarHBondContact O-N 3.28Å; H103-A107 VanDerWaalsContact O-N 3.1Å
104	K	95.9	Very high	97.3	Very high	127 Å²	127	53.3 Å²	53.3	55%	0.552	25%	0.25	S	C	*	.	H	α-helix	trans	-59.4	-41.5	-173.4	-65.3	179	-176.2	174.4	0	113.2	D102 L106 A107 D108	D102-K104 VanDerWaalsContact C-N 3.33Å; D102-K104 PolarHBondContact O-N 3.36Å; K104-L106 PolarHBondContact O-N 3.26Å; K104-A107 WeakPolarHBondContact O-CB 3.36Å; K104-A107 PolarHBondContact O-N 3.4Å; K104-D108 VanDerWaalsContact O-CG 3.31Å; K104-D108 PolarHBondContact O-N 3.48Å
105	E	96.1	Very high	97.2	Very high	132 Å²	132	62.8 Å²	62.8	62%	0.617	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-41.7	177.5	-176.3	176.1	-163.7	0	0	111.8	H103 A107 D108 I109	H103-E105 VanDerWaalsContact C-N 3.35Å; H103-E105 PolarHBondContact O-N 2.81Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.92Å; E105-D108 PolarHBondContact O-N 2.91Å; E105-I109 HydrophobicContact CG-CD1 4.25Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 3.42Å
106	L	97.3	Very high	97	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-37	175.2	-60.9	-175.2	0	0	0	111.8	A34 L35 L98 H103 K104 L110 L125	A34-L106 HydrophobicContact CB-CD1 4.04Å; A34-L106 HydrophobicContact CB-CD2 3.82Å; L35-L106 HydrophobicContact CD2-CD1 3.8Å; L98-L106 HydrophobicContact CD1-CB 4.12Å; L98-L106 HydrophobicContact CD2-CB 4.21Å; L98-L106 HydrophobicContact CD2-CD1 4.31Å; H103-L106 HydrophobicContact CB-CB 4.15Å; H103-L106 HydrophobicContact CB-CD1 3.95Å; H103-L106 HydrophobicContact CB-CG 4.19Å; H103-L106 PolarHBondContact O-N 2.94Å; K104-L106 PolarHBondContact O-N 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.3Å; L106-L125 HydrophobicContact CD2-CD2 3.59Å
107	A	97.9	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-41.3	175.3	0	0	0	0	0	111.7	E95 L98 R99 H103 K104 E105 L110 V111	E95-A107 HydrophobicContact CG-CB 4.13Å; L98-A107 HydrophobicContact CB-CB 3.89Å; R99-A107 HydrophobicContact CG-CB 3.47Å; R99-A107 VanDerWaalsContact CG-CB 3.47Å; H103-A107 PolarHBondContact O-N 3.28Å; H103-A107 VanDerWaalsContact O-N 3.1Å; K104-A107 WeakPolarHBondContact O-CB 3.36Å; K104-A107 PolarHBondContact O-N 3.4Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.92Å; A107-L110 WeakPolarHBondContact O-CB 3.39Å; A107-L110 PolarHBondContact O-N 3.44Å; A107-V111 WeakPolarHBondContact O-CG2 3.45Å; A107-V111 PolarHBondContact O-N 3.33Å
108	D	98	Very high	96.6	Very high	81 Å²	81	65 Å²	65	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-43	177.8	-64.3	-23.7	0	0	0	111.2	R99 K104 E105 L110 V111 E112	R99-D108 IonicContact CZ-OD1 2.58Å; R99-D108 VanDerWaalsContact CZ-OD1 3.25Å; R99-D108 IonicContact NH1-OD1 2.64Å; R99-D108 PolarHBondContact NH1-OD1 3.34Å; R99-D108 IonicContact NH2-OD1 2.68Å; R99-D108 PolarHBondContact NH2-OD1 3.27Å; K104-D108 VanDerWaalsContact O-CG 3.31Å; K104-D108 PolarHBondContact O-N 3.48Å; E105-D108 PolarHBondContact O-N 2.91Å; D108-L110 PolarHBondContact O-N 3.2Å; D108-V111 PolarHBondContact O-N 2.95Å; D108-E112 WeakPolarHBondContact O-CB 3.19Å; D108-E112 PolarHBondContact O-N 2.97Å
109	I	97.9	Very high	96.6	Very high	22 Å²	22	67.2 Å²	67.2	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-45.2	173.7	-67.3	170.1	0	0	0	110.7	E105 V111 E112 R113 I120 L124 L125	E105-I109 HydrophobicContact CG-CD1 4.25Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 3.42Å; I109-V111 PolarHBondContact O-N 3.2Å; I109-E112 PolarHBondContact O-N 3.45Å; I109-R113 HydrophobicContact CG2-CG 4.02Å; I109-R113 VanDerWaalsContact O-CB 3.3Å; I109-R113 WeakPolarHBondContact O-CB 3.48Å; I109-R113 WeakPolarHBondContact O-CG 3.3Å; I109-R113 PolarHBondContact O-N 3.23Å; I109-I120 HydrophobicContact CG2-CG1 4.26Å; I109-I120 HydrophobicContact CG2-CG2 4.06Å; I109-L124 WeakPolarHBondContact CD1-O 3.24Å; I109-L124 HydrophobicContact CG2-CB 4.43Å; I109-L124 HydrophobicContact CG2-CD1 4.34Å; I109-L125 HydrophobicContact CD1-CD2 3.64Å; I109-L125 HydrophobicContact CG2-CD2 4.23Å
110	L	98.2	Very high	96.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-49.5	176.9	173.9	68.7	0	0	0	111.7	V22 I31 L94 E95 L98 L106 A107 D108 N114 I120	V22-L110 HydrophobicContact CG2-CD1 3.8Å; I31-L110 HydrophobicContact CD1-CD1 4.29Å; L94-L110 HydrophobicContact CB-CD2 3.89Å; L94-L110 HydrophobicContact CD2-CD1 4.16Å; L94-L110 HydrophobicContact CD2-CD2 3.85Å; L94-L110 HydrophobicContact CG-CD2 3.72Å; E95-L110 HydrophobicContact CB-CD2 4.21Å; L98-L110 HydrophobicContact CD1-CD2 4.16Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.3Å; A107-L110 WeakPolarHBondContact O-CB 3.39Å; A107-L110 PolarHBondContact O-N 3.44Å; D108-L110 PolarHBondContact O-N 3.2Å; L110-N114 VanDerWaalsContact O-CB 3.24Å; L110-N114 WeakPolarHBondContact O-CB 3.15Å; L110-N114 PolarHBondContact O-N 3.02Å; L110-I120 HydrophobicContact CB-CD1 4.46Å; L110-I120 HydrophobicContact CD1-CD1 4.08Å
111	V	97.9	Very high	96.4	Very high	55 Å²	55	60.7 Å²	60.7	33%	0.333	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-44.1	-178.8	171.8	0	0	0	0	111.3	E95 A107 D108 I109 N114 R115	E95-V111 HydrophobicContact CG-CG2 3.83Å; E95-V111 WeakPolarHBondContact OE2-CG2 3.2Å; A107-V111 WeakPolarHBondContact O-CG2 3.45Å; A107-V111 PolarHBondContact O-N 3.33Å; D108-V111 PolarHBondContact O-N 2.95Å; I109-V111 PolarHBondContact O-N 3.2Å; V111-N114 PolarHBondContact O-N 3.32Å; V111-R115 PolarHBondContact O-N 2.59Å
112	E	97.4	Very high	96.2	Very high	102 Å²	102	67.9 Å²	67.9	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-49.3	178.9	-177.4	177.1	-168.5	0	0	111.4	D108 I109 N114 R115 M116	D108-E112 WeakPolarHBondContact O-CB 3.19Å; D108-E112 PolarHBondContact O-N 2.97Å; I109-E112 PolarHBondContact O-N 3.45Å; E112-N114 VanDerWaalsContact C-N 3.32Å; E112-N114 PolarHBondContact O-N 2.77Å; E112-R115 WeakPolarHBondContact O-CB 2.95Å; E112-R115 PolarHBondContact O-N 3.11Å; E112-M116 HydrophobicContact CG-SD 4.04Å; E112-M116 WeakPolarHBondContact O-CG 3.27Å; E112-M116 PolarHBondContact O-N 2.99Å; E112-M116 VanDerWaalsContact O-N 3.11Å
113	R	97	Very high	96.1	Very high	43 Å²	43	67.8 Å²	67.8	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-34.6	-179.1	-63.4	-56.7	-70.2	-172.6	-12.9	112.1	V22 I109 M116 N117 L118 E119 I120 L124	V22-R113 HydrophobicContact CG2-CB 3.75Å; I109-R113 HydrophobicContact CG2-CG 4.02Å; I109-R113 VanDerWaalsContact O-CB 3.3Å; I109-R113 WeakPolarHBondContact O-CB 3.48Å; I109-R113 WeakPolarHBondContact O-CG 3.3Å; I109-R113 PolarHBondContact O-N 3.23Å; R113-M116 PolarHBondContact O-N 3.48Å; R113-N117 PolarHBondContact O-N 3.07Å; R113-L118 VanDerWaalsContact NH2-CB 3.28Å; R113-L118 PolarHBondContact O-N 2.77Å; R113-E119 VanDerWaalsContact CZ-O 3.29Å; R113-E119 PolarHBondContact NE-O 2.95Å; R113-E119 PolarHBondContact NH2-O 2.87Å; R113-I120 HydrophobicContact CB-CG1 3.89Å; R113-I120 HydrophobicContact CG-CG1 3.88Å; R113-L124 HydrophobicContact CG-CD1 4.04Å
114	N	96.8	Very high	96	Very high	54 Å²	54	69.9 Å²	69.9	29%	0.289	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-49.4	170.5	-175.9	48.2	0	0	0	111.9	V22 I91 L110 V111 E112 M116 N117	V22-N114 HydrophobicContact CB-CB 4.28Å; V22-N114 HydrophobicContact CG1-CB 3.82Å; V22-N114 WeakPolarHBondContact CG1-OD1 3.28Å; V22-N114 HydrophobicContact CG2-CB 4.35Å; I91-N114 HydrophobicContact CD1-CB 4.44Å; I91-N114 VanDerWaalsContact CD1-CG 3.44Å; I91-N114 WeakPolarHBondContact CD1-OD1 3.38Å; I91-N114 HydrophobicContact CG2-CB 4.48Å; L110-N114 VanDerWaalsContact O-CB 3.24Å; L110-N114 WeakPolarHBondContact O-CB 3.15Å; L110-N114 PolarHBondContact O-N 3.02Å; V111-N114 PolarHBondContact O-N 3.32Å; E112-N114 VanDerWaalsContact C-N 3.32Å; E112-N114 PolarHBondContact O-N 2.77Å; N114-M116 PolarHBondContact O-N 2.98Å; N114-N117 PolarHBondContact O-N 3.43Å
115	R	96	Very high	95.7	Very high	199 Å²	199	65.3 Å²	65.3	75%	0.751	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-33.1	179.3	-174.1	-176	68.4	141.8	-0.8	112.2	V111 E112 N117	V111-R115 PolarHBondContact O-N 2.59Å; E112-R115 WeakPolarHBondContact O-CB 2.95Å; E112-R115 PolarHBondContact O-N 3.11Å; R115-N117 VanDerWaalsContact C-N 3.34Å
116	M	95.2	Very high	94.6	Very high	89 Å²	89	65.4 Å²	65.4	44%	0.438	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.9	178.6	-62	174.1	77.4	0	0	113.4	E112 R113 N114 L118	E112-M116 HydrophobicContact CG-SD 4.04Å; E112-M116 WeakPolarHBondContact O-CG 3.27Å; E112-M116 PolarHBondContact O-N 2.99Å; E112-M116 VanDerWaalsContact O-N 3.11Å; R113-M116 PolarHBondContact O-N 3.48Å; N114-M116 PolarHBondContact O-N 2.98Å; M116-L118 VanDerWaalsContact C-N 3.33Å; M116-L118 HydrophobicContact CB-CB 4.35Å; M116-L118 HydrophobicContact CB-CD1 3.74Å; M116-L118 HydrophobicContact CB-CG 3.86Å; M116-L118 HydrophobicContact CE-CD1 3.69Å; M116-L118 HydrophobicContact SD-CD1 4.27Å
117	N	93.6	Very high	92.6	Very high	81 Å²	81	76.6 Å²	76.6	43%	0.433	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	54.3	-169.7	-164	26.3	0	0	0	111.4	S19 A20 R113 N114 R115	S19-N117 WeakPolarHBondContact CB-ND2 3.47Å; A20-N117 CarbonylContact O-C 3.54Å; A20-N117 PolarHBondContact O-OD1 3.36Å; R113-N117 PolarHBondContact O-N 3.07Å; N114-N117 PolarHBondContact O-N 3.43Å; R115-N117 VanDerWaalsContact C-N 3.34Å
118	L	95.5	Very high	92.4	Very high	60 Å²	60	80.4 Å²	80.4	31%	0.314	38%	0.377	S	S	.	.			trans	-128.1	150.1	179.6	-64.7	174.8	0	0	0	111.6	A20 V22 R113 M116	A20-L118 WeakPolarHBondContact O-CA 3.49Å; A20-L118 PolarHBondContact O-N 2.88Å; V22-L118 WeakPolarHBondContact CA-O 3.35Å; R113-L118 VanDerWaalsContact NH2-CB 3.28Å; R113-L118 PolarHBondContact O-N 2.77Å; M116-L118 VanDerWaalsContact C-N 3.33Å; M116-L118 HydrophobicContact CB-CB 4.35Å; M116-L118 HydrophobicContact CB-CD1 3.74Å; M116-L118 HydrophobicContact CB-CG 3.86Å; M116-L118 HydrophobicContact CE-CD1 3.69Å; M116-L118 HydrophobicContact SD-CD1 4.27Å
119	E	96	Very high	92.1	Very high	47 Å²	47	80.4 Å²	80.4	22%	0.22	38%	0.375	C	S	.	.			trans	-66.5	148.6	171.7	172.8	160.6	113.7	0	0	111.6	A20 S24 I26 S27 R113	A20-E119 HydrophobicContact CB-CB 4.36Å; S24-E119 WeakPolarHBondContact CB-OE2 3.36Å; S24-E119 WeakPolarHBondContact OG-CG 3.48Å; S24-E119 PolarHBondContact OG-OE2 3.34Å; I26-E119 HydrophobicContact CB-CG 4.47Å; I26-E119 WeakPolarHBondContact CB-OE1 3.32Å; I26-E119 HydrophobicContact CG2-CG 4.32Å; I26-E119 VanDerWaalsContact CG2-OE1 3.23Å; I26-E119 WeakPolarHBondContact CG2-OE1 3.42Å; S27-E119 WeakPolarHBondContact OG-CA 3.26Å; S27-E119 WeakPolarHBondContact OG-CG 3.28Å; R113-E119 VanDerWaalsContact CZ-O 3.29Å; R113-E119 PolarHBondContact NE-O 2.95Å; R113-E119 PolarHBondContact NH2-O 2.87Å
120	I	96.6	Very high	91.8	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	39%	0.389	C	S	.	.			trans	-85.6	111.5	170.5	-61.4	164	0	0	0	108.3	V22 S27 N30 I31 I109 L110 R113 L125	V22-I120 HydrophobicContact CG2-CD1 3.78Å; V22-I120 HydrophobicContact CG2-CG1 3.92Å; S27-I120 PolarHBondContact OG-N 2.72Å; N30-I120 PolarHBondContact ND2-O 2.77Å; I31-I120 HydrophobicContact CD1-CD1 3.37Å; I31-I120 HydrophobicContact CG1-CD1 3.78Å; I109-I120 HydrophobicContact CG2-CG1 4.26Å; I109-I120 HydrophobicContact CG2-CG2 4.06Å; L110-I120 HydrophobicContact CB-CD1 4.46Å; L110-I120 HydrophobicContact CD1-CD1 4.08Å; R113-I120 HydrophobicContact CB-CG1 3.89Å; R113-I120 HydrophobicContact CG-CG1 3.88Å; I120-L125 HydrophobicContact CG2-CD1 4.01Å; I120-L125 HydrophobicContact CG2-CD2 4.09Å; I120-L125 HydrophobicContact CG2-CG 4.17Å
121	T	94.1	Very high	91.4	Very high	42 Å²	42	88.5 Å²	88.5	26%	0.258	41%	0.412	S	S	.	.			trans	-93.2	158.3	179.6	56.3	0	0	0	0	111	D123 L124	T121-D123 VanDerWaalsContact C-N 3.27Å; T121-D123 WeakPolarHBondContact CB-OD1 3.49Å; T121-D123 PolarHBondContact O-N 2.79Å; T121-D123 VanDerWaalsContact OG1-CG 3.31Å; T121-D123 PolarHBondContact OG1-OD1 3.11Å; T121-D123 PolarHBondContact OG1-OD2 3.15Å; T121-L124 PolarHBondContact O-N 3.33Å
122	R	92.9	Very high	91	Very high	152 Å²	152	90.6 Å²	90.6	57%	0.574	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.8	-31.9	-175.2	-179.8	-179.8	173	-162.2	-6.6	113.2	N30 L124 L125 Q126	N30-R122 PolarHBondContact ND2-N 3Å; R122-L124 VanDerWaalsContact C-N 3.27Å; R122-L124 PolarHBondContact O-N 2.95Å; R122-L125 PolarHBondContact O-N 3.34Å; R122-L125 VanDerWaalsContact O-N 3.12Å; R122-Q126 WeakPolarHBondContact O-CG 3.19Å
123	D	92.7	Very high	90.6	Very high	102 Å²	102	89.9 Å²	89.9	55%	0.545	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62	-30	178.5	53.1	-63.3	0	0	0	113.4	T121 L125	T121-D123 VanDerWaalsContact C-N 3.27Å; T121-D123 WeakPolarHBondContact CB-OD1 3.49Å; T121-D123 PolarHBondContact O-N 2.79Å; T121-D123 VanDerWaalsContact OG1-CG 3.31Å; T121-D123 PolarHBondContact OG1-OD1 3.11Å; T121-D123 PolarHBondContact OG1-OD2 3.15Å; D123-L125 PolarHBondContact O-N 3.4Å
124	L	92.6	Very high	90.1	Very high	62 Å²	62	93.2 Å²	93.2	33%	0.325	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18	174.5	-63.4	173.2	0	0	0	113.1	I109 R113 T121 R122	I109-L124 WeakPolarHBondContact CD1-O 3.24Å; I109-L124 HydrophobicContact CG2-CB 4.43Å; I109-L124 HydrophobicContact CG2-CD1 4.34Å; R113-L124 HydrophobicContact CG-CD1 4.04Å; T121-L124 PolarHBondContact O-N 3.33Å; R122-L124 VanDerWaalsContact C-N 3.27Å; R122-L124 PolarHBondContact O-N 2.95Å
125	L	90.6	Very high	89.6	Confident	32 Å²	32	96.2 Å²	96.2	17%	0.168	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-110.5	10.6	-171.2	-50.7	-176	0	0	0	112.8	N30 A34 L106 I109 I120 R122 D123	N30-L125 VanDerWaalsContact C-CD1 3.4Å; N30-L125 HydrophobicContact CB-CD1 3.8Å; N30-L125 VanDerWaalsContact O-CD1 3.23Å; N30-L125 WeakPolarHBondContact O-CD1 3.17Å; A34-L125 HydrophobicContact CB-CB 4.03Å; A34-L125 HydrophobicContact CB-CD1 3.79Å; A34-L125 HydrophobicContact CB-CG 4.39Å; L106-L125 HydrophobicContact CD2-CD2 3.59Å; I109-L125 HydrophobicContact CD1-CD2 3.64Å; I109-L125 HydrophobicContact CG2-CD2 4.23Å; I120-L125 HydrophobicContact CG2-CD1 4.01Å; I120-L125 HydrophobicContact CG2-CD2 4.09Å; I120-L125 HydrophobicContact CG2-CG 4.17Å; R122-L125 PolarHBondContact O-N 3.34Å; R122-L125 VanDerWaalsContact O-N 3.12Å; D123-L125 PolarHBondContact O-N 3.4Å
126	Q	72.3	Confident	89	Confident	134 Å²	134	87.7 Å²	87.7	63%	0.626	42%	0.416	S	S	*	.			trans	-81.1	119.7	-180	-61	-175.2	19.8	0	0	109.7	R122	R122-Q126 WeakPolarHBondContact O-CG 3.19Å
127	K	56.6	Low	88.5	Confident	251 Å²	251	87.5 Å²	87.5	100%	1.091	41%	0.414	S	S	*	.			trans	-76.6	0	164.6	-70.1	-176.8	178.8	178.7	0	110.9

Retrieved 127 of 127 residues in 156.9 ms (Link to these results)

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