G4VJE7_SCHMA Loading...

Mesencephalic astrocyte-derived neurotrophic factor homolog

AlphaFold DB , UniProt , Accession G4VJE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 aa.

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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	50.8	Low	58.3	Low	235 Å²	235	123.7 Å²	123.7	100%	1.158	66%	0.657	S	S	*	*				0	93.4	0	-79.7	174.3	141.8	0	0	106.1	M3	M1-M3 PolarHBondContact O-N 3.42Å
2	D	59.1	Low	58	Low	125 Å²	125	126.2 Å²	126.2	67%	0.668	67%	0.669	S	S	*	*			trans	-70	122.5	-166.5	-73.5	-53.3	0	0	0	111.6	S4 V5	D2-S4 PolarHBondContact O-N 2.96Å; D2-V5 PolarHBondContact O-N 3.34Å
3	M	60.8	Low	58	Low	145 Å²	145	124.6 Å²	124.6	71%	0.714	67%	0.667	S	S	*	*	H	α-helix	trans	-48.3	-25.7	175.8	-86.4	-77	-78.4	0	0	113.3	M1 V5 I6	M1-M3 PolarHBondContact O-N 3.42Å; M3-V5 VanDerWaalsContact C-N 3.31Å; M3-V5 PolarHBondContact O-N 3.43Å; M3-I6 PolarHBondContact O-N 3.12Å
4	S	60.6	Low	58.1	Low	90 Å²	90	123.5 Å²	123.5	63%	0.629	67%	0.667	S	S	*	*	H	α-helix	trans	-65.7	-28.7	178.1	-53.2	0	0	0	0	113.7	D2	D2-S4 PolarHBondContact O-N 2.96Å
5	V	61.9	Low	58.3	Low	93 Å²	93	120.5 Å²	120.5	56%	0.564	66%	0.659	S	S	*	*	H	α-helix	trans	-76.5	-33.5	-179.5	-172.6	0	0	0	0	111.1	D2 M3 F7 C8	D2-V5 PolarHBondContact O-N 3.34Å; M3-V5 VanDerWaalsContact C-N 3.31Å; M3-V5 PolarHBondContact O-N 3.43Å; V5-F7 VanDerWaalsContact C-N 3.35Å; V5-C8 PolarHBondContact O-N 2.96Å
6	I	61.7	Low	58.2	Low	103 Å²	103	122.9 Å²	122.9	53%	0.528	67%	0.67	S	S	.	*	H	α-helix	trans	-67.3	-38.3	179.3	-60.5	176.8	0	0	0	110.6	M3 C8 I9	M3-I6 PolarHBondContact O-N 3.12Å; I6-C8 PolarHBondContact O-N 3.41Å; I6-I9 PolarHBondContact O-N 2.95Å
7	F	58.8	Low	58.1	Low	143 Å²	143	123.1 Å²	123.1	63%	0.627	67%	0.67	S	S	*	*	H	α-helix	trans	-68.5	-33.6	179.9	-124.9	-93.5	0	0	0	112.9	V5 I9 I11	V5-F7 VanDerWaalsContact C-N 3.35Å; F7-I9 PolarHBondContact O-N 2.85Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å
8	C	53.6	Low	58.2	Low	81 Å²	81	123.5 Å²	123.5	55%	0.547	67%	0.67	S	S	.	*	H	α-helix	trans	-70.1	-30.8	179.2	-71.9	0	0	0	0	113.4	V5 I6	V5-C8 PolarHBondContact O-N 2.96Å; I6-C8 PolarHBondContact O-N 3.41Å
9	I	58.3	Low	58.4	Low	115 Å²	115	124.2 Å²	124.2	59%	0.59	67%	0.672	S	S	*	*	H	α-helix	trans	-73.9	-31.9	-179.6	-63.3	171.8	0	0	0	111.3	I6 F7 I11	I6-I9 PolarHBondContact O-N 2.95Å; F7-I9 PolarHBondContact O-N 2.85Å; I9-I11 VanDerWaalsContact C-N 3.26Å; I9-I11 PolarHBondContact O-N 2.84Å
10	L	57.9	Low	58.7	Low	124 Å²	124	126.6 Å²	126.6	65%	0.649	68%	0.678	S	S	*	*	H	α-helix	trans	-70.6	-18.7	-179.6	-72.4	169.2	0	0	0	113.9
11	I	57.7	Low	59.4	Low	107 Å²	107	125.6 Å²	125.6	55%	0.549	68%	0.677	S	S	.	*	H	α-helix	trans	-88.4	-25.4	-175.7	-59	168.7	0	0	0	111.8	F7 I9 T13 T14	F7-I11 WeakPolarHBondContact O-CG1 3.39Å; I9-I11 VanDerWaalsContact C-N 3.26Å; I9-I11 PolarHBondContact O-N 2.84Å; I11-T13 PolarHBondContact O-N 3.09Å; I11-T14 PolarHBondContact O-OG1 3.41Å
12	L	54.9	Low	61	Low	153 Å²	153	119.6 Å²	119.6	80%	0.801	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-9.7	-174.9	-86.4	152	0	0	0	114.8	T14	L12-T14 VanDerWaalsContact C-N 3.33Å
13	T	57.9	Low	62.5	Low	106 Å²	106	122.6 Å²	122.6	65%	0.65	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	25.8	173.9	63.5	0	0	0	0	112.9	I11 S15	I11-T13 PolarHBondContact O-N 3.09Å; T13-S15 PolarHBondContact O-N 3.18Å
14	T	59.6	Low	64	Low	109 Å²	109	118 Å²	118	67%	0.669	63%	0.626	S	S	*	*			trans	-72.6	66.6	156	50.3	0	0	0	0	108.2	I11 L12 L16	I11-T14 PolarHBondContact O-OG1 3.41Å; L12-T14 VanDerWaalsContact C-N 3.33Å; T14-L16 PolarHBondContact O-N 3.45Å
15	S	60.7	Low	65.5	Low	78 Å²	78	116.7 Å²	116.7	55%	0.545	61%	0.612	S	S	.	*			trans	-46.8	111.9	164.2	40.2	0	0	0	0	106.6	T13 N17	T13-S15 PolarHBondContact O-N 3.18Å; S15-N17 PolarHBondContact O-N 3.47Å; S15-N17 PolarHBondContact OG-ND2 3.31Å
16	L	56.2	Low	66.7	Low	160 Å²	160	115 Å²	115	84%	0.838	60%	0.603	S	S	*	*			trans	-58.9	80.4	163.7	-78.3	100	0	0	0	106.4	T14 I18	T14-L16 PolarHBondContact O-N 3.45Å; L16-I18 PolarHBondContact O-N 3.5Å
17	N	57.5	Low	67.9	Low	125 Å²	125	114.4 Å²	114.4	67%	0.668	61%	0.608	S	S	*	*			trans	-66.3	92.7	159.9	-69.6	-53.6	0	0	0	103.3	S15 I19	S15-N17 PolarHBondContact O-N 3.47Å; S15-N17 PolarHBondContact OG-ND2 3.31Å; N17-I19 PolarHBondContact O-N 3.43Å
18	I	59.4	Low	69.4	Low	131 Å²	131	111.2 Å²	111.2	67%	0.672	60%	0.598	S	S	*	*			trans	-62.1	89.5	166.7	-60.5	172.3	0	0	0	104.1	L16 H20	L16-I18 PolarHBondContact O-N 3.5Å; I18-H20 VanDerWaalsContact C-N 3.33Å; I18-H20 PolarHBondContact O-N 3.47Å
19	I	61.9	Low	71.3	Confident	136 Å²	136	107.3 Å²	107.3	70%	0.697	57%	0.572	S	S	*	*			trans	-63	104.5	172.8	-60.2	172.7	0	0	0	103.9	N17 T21	N17-I19 PolarHBondContact O-N 3.43Å; I19-T21 HydrophobicContact CG2-CG2 4.15Å; I19-T21 PolarHBondContact O-N 2Å
20	H	65	Low	73.1	Confident	173 Å²	173	104.4 Å²	104.4	80%	0.801	56%	0.556	S	S	*	*			trans	-63.5	88	169.5	-85.9	-83.6	0	0	0	107.5	I18 K22	I18-H20 VanDerWaalsContact C-N 3.33Å; I18-H20 PolarHBondContact O-N 3.47Å; H20-K22 PolarHBondContact O-N 3.38Å
21	T	72.8	Confident	74.9	Confident	106 Å²	106	98.6 Å²	98.6	65%	0.65	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-68.9	116.5	174.3	59.3	0	0	0	0	107.3	I19 K23	I19-T21 HydrophobicContact CG2-CG2 4.15Å; I19-T21 PolarHBondContact O-N 2Å; T21-K23 PolarHBondContact O-N 3.46Å
22	K	84.3	Confident	76.9	Confident	109 Å²	109	93.5 Å²	93.5	47%	0.474	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-55.9	134.2	170	-68.3	-176.7	176.6	-178.2	0	108.3	H20 F108 D116	H20-K22 PolarHBondContact O-N 3.38Å; K22-F108 HydrophobicContact CB-CE2 4.16Å; K22-F108 HydrophobicContact CB-CZ 3.64Å; K22-F108 WeakPolarHBondContact O-CE1 3.41Å; K22-F108 VanDerWaalsContact O-CZ 3.31Å; K22-F108 WeakPolarHBondContact O-CZ 3.1Å; K22-D116 IonicContact NZ-OD1 3.79Å; K22-D116 PolarHBondContact NZ-OD1 3.28Å; K22-D116 IonicContact NZ-OD2 3.99Å; K22-D116 PolarHBondContact NZ-OD2 2.99Å
23	K	90.3	Very high	78.9	Confident	188 Å²	188	87.8 Å²	87.8	82%	0.817	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-90.4	143.8	172.4	-68.6	-174.5	178.9	-179.2	0	109.3	T21 D25	T21-K23 PolarHBondContact O-N 3.46Å; K23-D25 PolarHBondContact O-N 3.43Å
24	Y	92.6	Very high	80.8	Confident	47 Å²	47	88.3 Å²	88.3	18%	0.184	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68.5	130.9	174.3	179.3	-111.8	0	0	0	109.8	P26 C29 E101 C104 E105 F108	Y24-P26 HydrophobicContact CE1-CB 4.23Å; Y24-C29 HydrophobicContact CE2-CB 3.97Å; Y24-E101 PolarHBondContact OH-O 3.45Å; Y24-C104 HydrophobicContact CE2-CB 4.41Å; Y24-E105 HydrophobicContact CD1-CB 3.68Å; Y24-E105 HydrophobicContact CD1-CG 3.55Å; Y24-E105 HydrophobicContact CD2-CB 4.36Å; Y24-E105 HydrophobicContact CD2-CG 4.5Å; Y24-E105 HydrophobicContact CE1-CB 3.57Å; Y24-E105 HydrophobicContact CE1-CG 3.99Å; Y24-E105 HydrophobicContact CE2-CB 4.29Å; Y24-E105 HydrophobicContact CG-CB 4.06Å; Y24-E105 HydrophobicContact CG-CG 3.82Å; Y24-F108 HydrophobicContact CD2-CB 3.74Å; Y24-F108 HydrophobicContact CD2-CD1 4Å; Y24-F108 HydrophobicContact CD2-CD2 4.3Å; Y24-F108 AromaticContact CD2-CG 3.74Å; Y24-F108 HydrophobicContact CD2-CG 3.74Å; Y24-F108 HydrophobicContact CE2-CB 4.3Å; Y24-F108 HydrophobicContact CG-CD1 4.26Å; Y24-F108 HydrophobicContact CG-CG 4.45Å; Y24-F108 VanDerWaalsContact N-CE1 3.31Å
25	D	91.7	Very high	82.7	Confident	63 Å²	63	83.3 Å²	83.3	34%	0.337	43%	0.431	S	S	.	.			trans	-137.5	115.9	171.9	172.1	0.9	0	0	0	107.5	K23 S27 N28 C29	K23-D25 PolarHBondContact O-N 3.43Å; D25-S27 PolarHBondContact O-N 2.95Å; D25-S27 WeakPolarHBondContact OD1-CB 3.48Å; D25-S27 PolarHBondContact OD1-N 3.42Å; D25-S27 PolarHBondContact OD1-OG 3.36Å; D25-S27 PolarHBondContact OD2-OG 2.84Å; D25-N28 HydrophobicContact CB-CB 4.17Å; D25-N28 CarbonylContact O-C 3.53Å; D25-N28 WeakPolarHBondContact O-CA 3.19Å; D25-N28 WeakPolarHBondContact O-CB 3.06Å; D25-N28 PolarHBondContact O-N 3.28Å; D25-N28 PolarHBondContact OD2-ND2 3.39Å; D25-C29 PolarHBondContact O-N 3.09Å
26	P	87.9	Confident	84.5	Confident	58 Å²	58	79.6 Å²	79.6	38%	0.377	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-61.3	-31	-177.4	25	-33.5	0	0	0	112.4	Y24 N28 C29 I33 E101	Y24-P26 HydrophobicContact CE1-CB 4.23Å; P26-N28 PolarHBondContact O-N 3.19Å; P26-N28 VanDerWaalsContact O-N 3.14Å; P26-C29 PolarHBondContact O-N 2.69Å; P26-I33 HydrophobicContact CB-CD1 3.82Å; P26-I33 WeakPolarHBondContact O-CD1 3.47Å; P26-E101 HydrophobicContact CB-CG 4.32Å
27	S	87.4	Confident	86.5	Confident	90 Å²	90	72.6 Å²	72.6	63%	0.629	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.2	176.2	74.9	0	0	0	0	112.7	D25	D25-S27 PolarHBondContact O-N 2.95Å; D25-S27 WeakPolarHBondContact OD1-CB 3.48Å; D25-S27 PolarHBondContact OD1-N 3.42Å; D25-S27 PolarHBondContact OD1-OG 3.36Å; D25-S27 PolarHBondContact OD2-OG 2.84Å
28	N	88.9	Confident	88.4	Confident	76 Å²	76	69 Å²	69	41%	0.406	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-102	11.7	178	-81.1	-53.5	0	0	0	113.2	D25 P26 R118	D25-N28 HydrophobicContact CB-CB 4.17Å; D25-N28 CarbonylContact O-C 3.53Å; D25-N28 WeakPolarHBondContact O-CA 3.19Å; D25-N28 WeakPolarHBondContact O-CB 3.06Å; D25-N28 PolarHBondContact O-N 3.28Å; D25-N28 PolarHBondContact OD2-ND2 3.39Å; P26-N28 PolarHBondContact O-N 3.19Å; P26-N28 VanDerWaalsContact O-N 3.14Å; N28-R118 PolarHBondContact O-NH1 3.29Å; N28-R118 PolarHBondContact O-NH2 3.33Å; N28-R118 PolarHBondContact OD1-NH2 3.48Å
29	C	95.2	Very high	90.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.324	C	S	.	.			trans	-121.6	36.2	178.1	-152.2	0	0	0	0	113	Y24 D25 P26 V31 C32 I33 C115	Y24-C29 HydrophobicContact CE2-CB 3.97Å; D25-C29 PolarHBondContact O-N 3.09Å; P26-C29 PolarHBondContact O-N 2.69Å; C29-V31 PolarHBondContact O-N 3.32Å; C29-C32 PolarHBondContact O-N 3.45Å; C29-C32 VanDerWaalsContact SG-CB 3.55Å; C29-I33 HydrophobicContact CB-CD1 4.25Å; C29-I33 HydrophobicContact CB-CG1 4.45Å; C29-I33 WeakPolarHBondContact O-CG1 3.22Å; C29-I33 PolarHBondContact O-N 2.91Å; C29-C115 HydrophobicContact CB-CB 3.68Å; C29-C115 WeakPolarHBondContact CB-SG 3.19Å; C29-C115 VanDerWaalsContact SG-CA 3.54Å; C29-C115 WeakPolarHBondContact SG-CB 3.23Å; C29-C115 CovalentContact SG-SG 2.04Å; C29-C115 PolarHBondContact SG-SG 3.04Å
30	E	94.5	Very high	91.9	Very high	54 Å²	54	58.5 Å²	58.5	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-51.4	-47.3	-169.8	-174.8	-172.8	179	0	0	114.4	I33 K34 Y119	E30-I33 PolarHBondContact O-N 2.64Å; E30-K34 HydrophobicContact CG-CD 3.86Å; E30-K34 HydrophobicContact CG-CG 4.34Å; E30-K34 WeakPolarHBondContact O-CB 2.97Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 2.84Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; E30-K34 IonicContact OE1-NZ 4Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å; E30-Y119 HydrophobicContact CG-CD2 3.96Å; E30-Y119 HydrophobicContact CG-CE2 4.23Å
31	V	97.1	Very high	93.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-47.4	-176.8	176.1	0	0	0	0	111.1	C29 F35 K68 F72 L117 Y119	C29-V31 PolarHBondContact O-N 3.32Å; V31-F35 WeakPolarHBondContact O-CB 3.41Å; V31-F35 PolarHBondContact O-N 2.83Å; V31-K68 HydrophobicContact CG1-CB 4.24Å; V31-K68 HydrophobicContact CG2-CB 4.09Å; V31-F72 HydrophobicContact CG1-CB 3.99Å; V31-L117 HydrophobicContact CB-CB 3.85Å; V31-L117 HydrophobicContact CG1-CB 4.14Å; V31-L117 HydrophobicContact CG1-CD1 4.31Å; V31-L117 HydrophobicContact CG2-CB 3.84Å; V31-L117 WeakPolarHBondContact CG2-O 3.33Å; V31-Y119 HydrophobicContact CB-CE2 4.15Å; V31-Y119 HydrophobicContact CG1-CE1 4.47Å; V31-Y119 HydrophobicContact CG2-CD1 4.29Å; V31-Y119 HydrophobicContact CG2-CD2 3.85Å; V31-Y119 HydrophobicContact CG2-CE1 4.19Å; V31-Y119 HydrophobicContact CG2-CE2 3.73Å; V31-Y119 HydrophobicContact CG2-CG 4.13Å
32	C	98.3	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-51.1	176.2	-179.1	0	0	0	0	110.7	C29 K34 F35 V36 F72 C104 I114	C29-C32 PolarHBondContact O-N 3.45Å; C29-C32 VanDerWaalsContact SG-CB 3.55Å; C32-K34 PolarHBondContact O-N 2.91Å; C32-F35 PolarHBondContact O-N 2.68Å; C32-V36 WeakPolarHBondContact O-CB 2.98Å; C32-V36 VanDerWaalsContact O-CG2 3.23Å; C32-V36 WeakPolarHBondContact O-CG2 3.48Å; C32-V36 PolarHBondContact O-N 3.19Å; C32-F72 HydrophobicContact CB-CD2 4.23Å; C32-F72 HydrophobicContact CB-CE2 3.75Å; C32-C104 HydrophobicContact CB-CB 3.99Å; C32-C104 WeakPolarHBondContact CB-SG 3.49Å; C32-C104 VanDerWaalsContact SG-CA 3.52Å; C32-C104 WeakPolarHBondContact SG-CB 3.38Å; C32-C104 CovalentContact SG-SG 2.05Å; C32-C104 PolarHBondContact SG-SG 3.23Å; C32-I114 HydrophobicContact CB-CG2 4.02Å
33	I	98.2	Very high	95.2	Very high	34 Å²	34	52 Å²	52	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-46	-175	-68.5	173.1	0	0	0	111.2	P26 C29 E30 G37 V100 E101 C104	P26-I33 HydrophobicContact CB-CD1 3.82Å; P26-I33 WeakPolarHBondContact O-CD1 3.47Å; C29-I33 HydrophobicContact CB-CD1 4.25Å; C29-I33 HydrophobicContact CB-CG1 4.45Å; C29-I33 WeakPolarHBondContact O-CG1 3.22Å; C29-I33 PolarHBondContact O-N 2.91Å; E30-I33 PolarHBondContact O-N 2.64Å; I33-G37 WeakPolarHBondContact O-CA 3.47Å; I33-G37 PolarHBondContact O-N 3.24Å; I33-V100 HydrophobicContact CG2-CG1 4.19Å; I33-V100 HydrophobicContact CG2-CG2 4.45Å; I33-V100 WeakPolarHBondContact O-CG2 3.45Å; I33-E101 HydrophobicContact CD1-CG 4.41Å; I33-C104 HydrophobicContact CG1-CB 4.19Å; I33-C104 PolarHBondContact N-SG 2.92Å
34	K	97.6	Very high	95.4	Very high	117 Å²	117	49 Å²	49	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-47.7	180	-74.4	-175.2	173.2	174.7	0	111.9	E30 C32 S38 Y119	E30-K34 HydrophobicContact CG-CD 3.86Å; E30-K34 HydrophobicContact CG-CG 4.34Å; E30-K34 WeakPolarHBondContact O-CB 2.97Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 2.84Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; E30-K34 IonicContact OE1-NZ 4Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å; C32-K34 PolarHBondContact O-N 2.91Å; K34-S38 VanDerWaalsContact O-CB 3.24Å; K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.37Å; K34-Y119 HydrophobicContact CB-CE2 4.03Å; K34-Y119 HydrophobicContact CD-CD2 4.16Å; K34-Y119 HydrophobicContact CD-CE2 3.7Å; K34-Y119 HydrophobicContact CG-CE2 4.38Å
35	F	98.3	Very high	95.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-47.5	-176.5	-171.2	-105.4	0	0	0	111.9	V31 C32 S38 F39 F58 R61 D69 F72 C73	V31-F35 WeakPolarHBondContact O-CB 3.41Å; V31-F35 PolarHBondContact O-N 2.83Å; C32-F35 PolarHBondContact O-N 2.68Å; F35-S38 PolarHBondContact O-N 3.27Å; F35-F39 WeakPolarHBondContact O-CB 3.26Å; F35-F39 PolarHBondContact O-N 2.89Å; F35-F58 HydrophobicContact CD1-CE2 4.27Å; F35-F58 AromaticContact CE1-CE2 3.79Å; F35-F58 HydrophobicContact CE1-CE2 3.79Å; F35-F58 HydrophobicContact CE1-CZ 4.05Å; F35-R61 HydrophobicContact CE1-CG 4.46Å; F35-R61 HydrophobicContact CE2-CG 4.2Å; F35-R61 HydrophobicContact CZ-CG 3.74Å; F35-D69 HydrophobicContact CD2-CB 3.59Å; F35-D69 WeakPolarHBondContact CD2-OD2 3.4Å; F35-D69 HydrophobicContact CE2-CB 3.57Å; F35-D69 HydrophobicContact CG-CB 4.35Å; F35-D69 HydrophobicContact CZ-CB 4.32Å; F35-F72 AromaticContact CD1-CD1 3.39Å; F35-F72 HydrophobicContact CD1-CD1 3.39Å; F35-F72 AromaticContact CD1-CE1 3.6Å; F35-F72 HydrophobicContact CD1-CE1 3.6Å; F35-F72 HydrophobicContact CD1-CG 4.46Å; F35-F72 AromaticContact CE1-CD1 3.88Å; F35-F72 HydrophobicContact CE1-CD1 3.88Å; F35-F72 HydrophobicContact CE1-CE1 4.17Å; F35-F72 HydrophobicContact CG-CD1 4.24Å; F35-C73 VanDerWaalsContact CE1-SG 3.58Å
36	V	98.4	Very high	95.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-41.6	177.5	178.1	0	0	0	0	110.8	C32 S38 F39 I40 F72 L90 I94 V100 V103	C32-V36 WeakPolarHBondContact O-CB 2.98Å; C32-V36 VanDerWaalsContact O-CG2 3.23Å; C32-V36 WeakPolarHBondContact O-CG2 3.48Å; C32-V36 PolarHBondContact O-N 3.19Å; V36-S38 PolarHBondContact O-N 3.47Å; V36-F39 WeakPolarHBondContact O-CB 3.46Å; V36-F39 PolarHBondContact O-N 3.45Å; V36-I40 HydrophobicContact CG1-CD1 3.84Å; V36-I40 HydrophobicContact CG1-CG1 4.28Å; V36-I40 WeakPolarHBondContact O-CG1 3.5Å; V36-I40 PolarHBondContact O-N 3.3Å; V36-F72 HydrophobicContact CG2-CE1 3.82Å; V36-F72 HydrophobicContact CG2-CE2 4.45Å; V36-F72 HydrophobicContact CG2-CZ 3.48Å; V36-F72 VanDerWaalsContact CG2-CZ 3.48Å; V36-L90 HydrophobicContact CB-CD1 4.45Å; V36-L90 HydrophobicContact CG1-CD1 3.91Å; V36-L90 HydrophobicContact CG2-CD1 3.61Å; V36-I94 HydrophobicContact CG1-CD1 4.05Å; V36-V100 HydrophobicContact CB-CG2 3.9Å; V36-V100 HydrophobicContact CG1-CG2 3.9Å; V36-V103 HydrophobicContact CG1-CG1 4.43Å
37	G	98.2	Very high	95.8	Very high	12 Å²	12	50.4 Å²	50.4	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-41.9	177.4	0	0	0	0	0	112.4	I33 Q41	I33-G37 WeakPolarHBondContact O-CA 3.47Å; I33-G37 PolarHBondContact O-N 3.24Å; G37-Q41 WeakPolarHBondContact O-CG 3.41Å; G37-Q41 PolarHBondContact O-N 3.2Å; G37-Q41 PolarHBondContact O-NE2 3.15Å
38	S	97.8	Very high	96.1	Very high	49 Å²	49	48.7 Å²	48.7	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-40.8	173.1	172.4	0	0	0	0	111.7	K34 F35 V36 Q41 S42	K34-S38 VanDerWaalsContact O-CB 3.24Å; K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.37Å; F35-S38 PolarHBondContact O-N 3.27Å; V36-S38 PolarHBondContact O-N 3.47Å; S38-Q41 PolarHBondContact O-N 3.49Å; S38-S42 PolarHBondContact O-N 3.05Å; S38-S42 VanDerWaalsContact O-N 3.15Å
39	F	98.3	Very high	96.2	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-49.3	176.9	170.5	-110.7	0	0	0	111.9	F35 V36 Q41 S42 L43 I54 A57 F58 R61 I94	F35-F39 WeakPolarHBondContact O-CB 3.26Å; F35-F39 PolarHBondContact O-N 2.89Å; V36-F39 WeakPolarHBondContact O-CB 3.46Å; V36-F39 PolarHBondContact O-N 3.45Å; F39-Q41 VanDerWaalsContact C-N 3.26Å; F39-Q41 PolarHBondContact O-N 3.27Å; F39-S42 PolarHBondContact O-N 3.26Å; F39-S42 PolarHBondContact O-OG 2.7Å; F39-L43 HydrophobicContact CE1-CD1 3.98Å; F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CE1-CG 4.38Å; F39-L43 HydrophobicContact CE2-CD2 3.79Å; F39-L43 HydrophobicContact CE2-CG 4.33Å; F39-L43 HydrophobicContact CZ-CD1 4.09Å; F39-L43 HydrophobicContact CZ-CD2 3.65Å; F39-L43 HydrophobicContact CZ-CG 4.11Å; F39-L43 PolarHBondContact O-N 3.37Å; F39-I54 HydrophobicContact CE1-CG2 3.96Å; F39-I54 HydrophobicContact CZ-CG2 4.1Å; F39-I54 WeakPolarHBondContact CZ-O 3.49Å; F39-A57 HydrophobicContact CE2-CB 3.99Å; F39-A57 HydrophobicContact CZ-CB 4.18Å; F39-F58 AromaticContact CD1-CD2 3.75Å; F39-F58 HydrophobicContact CD1-CD2 3.75Å; F39-F58 HydrophobicContact CD1-CE2 4.49Å; F39-F58 HydrophobicContact CD2-CD2 4.18Å; F39-F58 HydrophobicContact CE1-CB 3.96Å; F39-F58 AromaticContact CE1-CD2 3.79Å; F39-F58 HydrophobicContact CE1-CD2 3.79Å; F39-F58 HydrophobicContact CE1-CG 4.33Å; F39-F58 HydrophobicContact CE2-CB 3.94Å; F39-F58 HydrophobicContact CE2-CD2 4.22Å; F39-F58 AromaticContact CG-CD2 3.94Å; F39-F58 HydrophobicContact CG-CD2 3.94Å; F39-F58 HydrophobicContact CZ-CB 3.52Å; F39-F58 HydrophobicContact CZ-CD2 4.03Å; F39-F58 HydrophobicContact CZ-CG 4.28Å; F39-R61 HydrophobicContact CD2-CB 4.26Å; F39-R61 HydrophobicContact CD2-CG 4.34Å; F39-I94 HydrophobicContact CD1-CD1 4.1Å; F39-I94 HydrophobicContact CE1-CD1 4.04Å
40	I	97.6	Very high	96.2	Very high	45 Å²	45	53 Å²	53	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-40.1	178.7	-66.9	168	0	0	0	111.2	V36 S42 L43 I94	V36-I40 HydrophobicContact CG1-CD1 3.84Å; V36-I40 HydrophobicContact CG1-CG1 4.28Å; V36-I40 WeakPolarHBondContact O-CG1 3.5Å; V36-I40 PolarHBondContact O-N 3.3Å; I40-S42 PolarHBondContact O-N 3.14Å; I40-L43 PolarHBondContact O-N 2.9Å; I40-I94 HydrophobicContact CD1-CD1 4.3Å; I40-I94 HydrophobicContact CD1-CG1 3.98Å; I40-I94 HydrophobicContact CG1-CD1 4.06Å; I40-I94 HydrophobicContact CG1-CG1 4.08Å; I40-I94 HydrophobicContact CG1-CG2 4.04Å
41	Q	96.9	Very high	96.3	Very high	166 Å²	166	53.1 Å²	53.1	78%	0.776	29%	0.294	S	S	*	.	H	α-helix	trans	-67.7	-23.8	176.9	-75	171.1	85.1	0	0	113.6	G37 S38 F39	G37-Q41 WeakPolarHBondContact O-CG 3.41Å; G37-Q41 PolarHBondContact O-N 3.2Å; G37-Q41 PolarHBondContact O-NE2 3.15Å; S38-Q41 PolarHBondContact O-N 3.49Å; F39-Q41 VanDerWaalsContact C-N 3.26Å; F39-Q41 PolarHBondContact O-N 3.27Å
42	S	96.6	Very high	96.2	Very high	71 Å²	71	55.3 Å²	55.3	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.8	177.5	70.9	0	0	0	0	114.1	S38 F39 I40	S38-S42 PolarHBondContact O-N 3.05Å; S38-S42 VanDerWaalsContact O-N 3.15Å; F39-S42 PolarHBondContact O-N 3.26Å; F39-S42 PolarHBondContact O-OG 2.7Å; I40-S42 PolarHBondContact O-N 3.14Å
43	L	96.4	Very high	96.2	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.084	33%	0.329	C	S	.	.			trans	-78.2	135.6	179.3	-69	176.1	0	0	0	110.9	F39 I40 D47 F48 I54 A57 I94	F39-L43 HydrophobicContact CE1-CD1 3.98Å; F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CE1-CG 4.38Å; F39-L43 HydrophobicContact CE2-CD2 3.79Å; F39-L43 HydrophobicContact CE2-CG 4.33Å; F39-L43 HydrophobicContact CZ-CD1 4.09Å; F39-L43 HydrophobicContact CZ-CD2 3.65Å; F39-L43 HydrophobicContact CZ-CG 4.11Å; F39-L43 PolarHBondContact O-N 3.37Å; I40-L43 PolarHBondContact O-N 2.9Å; L43-D47 HydrophobicContact CB-CB 4.33Å; L43-D47 HydrophobicContact CD2-CB 3.89Å; L43-F48 HydrophobicContact CB-CE2 3.71Å; L43-F48 HydrophobicContact CB-CZ 4.03Å; L43-F48 HydrophobicContact CD1-CE1 4.25Å; L43-F48 HydrophobicContact CD1-CE2 4.2Å; L43-F48 HydrophobicContact CD1-CZ 3.78Å; L43-I54 HydrophobicContact CD1-CG1 4.43Å; L43-I54 HydrophobicContact CD1-CG2 4.27Å; L43-A57 HydrophobicContact CD2-CB 3.86Å; L43-I94 HydrophobicContact CD1-CG2 4.02Å
44	E	94.5	Very high	96.2	Very high	125 Å²	125	57.6 Å²	57.6	58%	0.584	32%	0.321	S	S	*	.			trans	-79.3	156	171.6	-68.6	-69.5	119.1	0	0	109.9	S46 D47 F48	E44-S46 PolarHBondContact O-N 3.19Å; E44-D47 PolarHBondContact N-OD2 2.72Å; E44-D47 WeakPolarHBondContact O-CB 3.41Å; E44-D47 PolarHBondContact O-N 3.47Å; E44-F48 WeakPolarHBondContact O-CD2 3.41Å
45	P	93.2	Very high	96.2	Very high	104 Å²	104	57.3 Å²	57.3	68%	0.675	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-52.4	-33.1	175.2	-27.8	35.2	0	0	0	113.4	D47 F48	P45-D47 VanDerWaalsContact C-N 3.28Å; P45-D47 PolarHBondContact O-N 3.39Å; P45-F48 PolarHBondContact O-N 3.07Å
46	S	93.5	Very high	96.1	Very high	58 Å²	58	61.1 Å²	61.1	41%	0.406	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-72.1	-16.6	-179.6	85.4	0	0	0	0	114.7	E44 N49 K53	E44-S46 PolarHBondContact O-N 3.19Å; S46-N49 WeakPolarHBondContact O-CB 3.23Å; S46-N49 VanDerWaalsContact O-CG 3.28Å; S46-N49 PolarHBondContact O-N 3.21Å; S46-N49 PolarHBondContact O-ND2 3.36Å; S46-K53 VanDerWaalsContact O-CD 3.27Å; S46-K53 WeakPolarHBondContact O-CD 3.41Å; S46-K53 PolarHBondContact O-NZ 3.43Å
47	D	94.1	Very high	96	Very high	34 Å²	34	62.5 Å²	62.5	18%	0.182	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-73.8	-31.7	176	-66.3	-43.5	0	0	0	111	L43 E44 P45 N49 K53 I54	L43-D47 HydrophobicContact CB-CB 4.33Å; L43-D47 HydrophobicContact CD2-CB 3.89Å; E44-D47 PolarHBondContact N-OD2 2.72Å; E44-D47 WeakPolarHBondContact O-CB 3.41Å; E44-D47 PolarHBondContact O-N 3.47Å; P45-D47 VanDerWaalsContact C-N 3.28Å; P45-D47 PolarHBondContact O-N 3.39Å; D47-N49 PolarHBondContact O-N 3.19Å; D47-N49 VanDerWaalsContact O-N 3.14Å; D47-K53 WeakPolarHBondContact O-CB 3.46Å; D47-I54 WeakPolarHBondContact O-CG1 3.22Å
48	F	94.1	Very high	96	Very high	55 Å²	55	61.9 Å²	61.9	24%	0.241	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-71	-4.5	176.8	-65.5	-87.2	0	0	0	113.9	L43 E44 P45 S50 I54 I94 K97	L43-F48 HydrophobicContact CB-CE2 3.71Å; L43-F48 HydrophobicContact CB-CZ 4.03Å; L43-F48 HydrophobicContact CD1-CE1 4.25Å; L43-F48 HydrophobicContact CD1-CE2 4.2Å; L43-F48 HydrophobicContact CD1-CZ 3.78Å; E44-F48 WeakPolarHBondContact O-CD2 3.41Å; P45-F48 PolarHBondContact O-N 3.07Å; F48-S50 PolarHBondContact O-N 2.75Å; F48-I54 HydrophobicContact CD1-CD1 4.14Å; F48-I94 HydrophobicContact CE1-CG2 4.12Å; F48-K97 HydrophobicContact CE1-CG 4.49Å
49	N	92	Very high	95.9	Very high	123 Å²	123	62 Å²	62	66%	0.658	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.3	-26.4	177.6	-69.2	-2.6	0	0	0	112.7	S46 D47	S46-N49 WeakPolarHBondContact O-CB 3.23Å; S46-N49 VanDerWaalsContact O-CG 3.28Å; S46-N49 PolarHBondContact O-N 3.21Å; S46-N49 PolarHBondContact O-ND2 3.36Å; D47-N49 PolarHBondContact O-N 3.19Å; D47-N49 VanDerWaalsContact O-N 3.14Å
50	S	94.6	Very high	95.9	Very high	42 Å²	42	69.2 Å²	69.2	29%	0.294	37%	0.37	S	S	.	.			trans	-154.8	148.4	173.4	72.3	0	0	0	0	112.6	F48 A52 K53 I54	F48-S50 PolarHBondContact O-N 2.75Å; S50-A52 PolarHBondContact O-N 2.86Å; S50-K53 PolarHBondContact O-N 2.9Å; S50-K53 VanDerWaalsContact O-N 3.14Å; S50-K53 PolarHBondContact OG-N 2.93Å; S50-I54 PolarHBondContact O-N 2.93Å
51	P	96.2	Very high	95.8	Very high	57 Å²	57	71.6 Å²	71.6	37%	0.37	38%	0.376	S	S	.	.	H	α-helix	trans	-54.1	-33.5	171.7	-28.5	36.5	0	0	0	113.2	K53 I54 R55 V91	P51-K53 PolarHBondContact O-N 3.2Å; P51-I54 PolarHBondContact O-N 3.3Å; P51-R55 WeakPolarHBondContact O-CB 3.33Å; P51-R55 PolarHBondContact O-N 3.3Å; P51-V91 HydrophobicContact CB-CG1 3.82Å; P51-V91 WeakPolarHBondContact O-CG1 3.1Å
52	A	96.3	Very high	95.9	Very high	47 Å²	47	63.7 Å²	63.7	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-41.6	178.9	0	0	0	0	0	112.6	S50 R55 D56	S50-A52 PolarHBondContact O-N 2.86Å; A52-R55 WeakPolarHBondContact O-CB 3.47Å; A52-R55 PolarHBondContact O-N 3.25Å; A52-D56 PolarHBondContact O-N 2.88Å
53	K	97.4	Very high	95.9	Very high	82 Å²	82	66.5 Å²	66.5	36%	0.357	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-44.4	177.2	-74.4	-171.5	177.6	-167.6	0	112.3	S46 D47 S50 P51 R55 D56 A57	S46-K53 VanDerWaalsContact O-CD 3.27Å; S46-K53 WeakPolarHBondContact O-CD 3.41Å; S46-K53 PolarHBondContact O-NZ 3.43Å; D47-K53 WeakPolarHBondContact O-CB 3.46Å; S50-K53 PolarHBondContact O-N 2.9Å; S50-K53 VanDerWaalsContact O-N 3.14Å; S50-K53 PolarHBondContact OG-N 2.93Å; P51-K53 PolarHBondContact O-N 3.2Å; K53-R55 VanDerWaalsContact C-N 3.28Å; K53-R55 PolarHBondContact O-N 2.95Å; K53-D56 PolarHBondContact O-N 3.26Å; K53-A57 WeakPolarHBondContact O-CB 3.35Å; K53-A57 PolarHBondContact O-N 3.47Å
54	I	98.1	Very high	95.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.5	-45.3	175.3	-61.2	169.8	0	0	0	109.8	F39 L43 D47 F48 S50 P51 A57 F58 V91 I94	F39-I54 HydrophobicContact CE1-CG2 3.96Å; F39-I54 HydrophobicContact CZ-CG2 4.1Å; F39-I54 WeakPolarHBondContact CZ-O 3.49Å; L43-I54 HydrophobicContact CD1-CG1 4.43Å; L43-I54 HydrophobicContact CD1-CG2 4.27Å; D47-I54 WeakPolarHBondContact O-CG1 3.22Å; F48-I54 HydrophobicContact CD1-CD1 4.14Å; S50-I54 PolarHBondContact O-N 2.93Å; P51-I54 PolarHBondContact O-N 3.3Å; I54-A57 PolarHBondContact O-N 3.12Å; I54-F58 WeakPolarHBondContact O-CB 3.25Å; I54-F58 PolarHBondContact O-N 3.36Å; I54-V91 HydrophobicContact CB-CG1 4.17Å; I54-V91 HydrophobicContact CG2-CG1 4.21Å; I54-I94 HydrophobicContact CD1-CG2 4.25Å; I54-I94 HydrophobicContact CG2-CB 4.39Å; I54-I94 HydrophobicContact CG2-CG2 3.96Å
55	R	97.2	Very high	95.7	Very high	111 Å²	111	64.2 Å²	64.2	42%	0.419	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-49.7	176.4	-173.9	-166.5	65.8	166.8	-0.4	111.3	P51 A52 K53 A57 F58 M59 L87 V91	P51-R55 WeakPolarHBondContact O-CB 3.33Å; P51-R55 PolarHBondContact O-N 3.3Å; A52-R55 WeakPolarHBondContact O-CB 3.47Å; A52-R55 PolarHBondContact O-N 3.25Å; K53-R55 VanDerWaalsContact C-N 3.28Å; K53-R55 PolarHBondContact O-N 2.95Å; R55-A57 PolarHBondContact O-N 3.32Å; R55-F58 WeakPolarHBondContact O-CB 3.44Å; R55-F58 PolarHBondContact O-N 3.3Å; R55-M59 HydrophobicContact CG-CG 4.48Å; R55-M59 VanDerWaalsContact O-CG 3.28Å; R55-M59 WeakPolarHBondContact O-CG 3.36Å; R55-M59 PolarHBondContact O-N 3.09Å; R55-L87 HydrophobicContact CG-CD2 3.68Å; R55-L87 HydrophobicContact CG-CG 4.39Å; R55-V91 HydrophobicContact CB-CG1 4.3Å; R55-V91 HydrophobicContact CB-CG2 3.91Å; R55-V91 HydrophobicContact CG-CG2 4.28Å
56	D	96.3	Very high	95.6	Very high	85 Å²	85	64.8 Å²	64.8	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-39.4	-177	-62.9	-10.8	0	0	0	111.3	A52 K53 F58 M59 K60	A52-D56 PolarHBondContact O-N 2.88Å; K53-D56 PolarHBondContact O-N 3.26Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 2.9Å; D56-M59 PolarHBondContact O-N 3.15Å; D56-K60 WeakPolarHBondContact O-CB 3.35Å; D56-K60 PolarHBondContact O-N 2.94Å
57	A	97.3	Very high	95.6	Very high	28 Å²	28	64.7 Å²	64.7	23%	0.231	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-41.3	172.1	0	0	0	0	0	111.9	F39 L43 K53 I54 R55 K60 R61	F39-A57 HydrophobicContact CE2-CB 3.99Å; F39-A57 HydrophobicContact CZ-CB 4.18Å; L43-A57 HydrophobicContact CD2-CB 3.86Å; K53-A57 WeakPolarHBondContact O-CB 3.35Å; K53-A57 PolarHBondContact O-N 3.47Å; I54-A57 PolarHBondContact O-N 3.12Å; R55-A57 PolarHBondContact O-N 3.32Å; A57-K60 PolarHBondContact O-N 3.45Å; A57-R61 PolarHBondContact O-N 3.18Å
58	F	97.9	Very high	95.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-45.5	177.3	-174.4	-97.1	0	0	0	112.1	F35 F39 I54 R55 D56 K60 R61 C62 F72 V76 L87 L90	F35-F58 HydrophobicContact CD1-CE2 4.27Å; F35-F58 AromaticContact CE1-CE2 3.79Å; F35-F58 HydrophobicContact CE1-CE2 3.79Å; F35-F58 HydrophobicContact CE1-CZ 4.05Å; F39-F58 AromaticContact CD1-CD2 3.75Å; F39-F58 HydrophobicContact CD1-CD2 3.75Å; F39-F58 HydrophobicContact CD1-CE2 4.49Å; F39-F58 HydrophobicContact CD2-CD2 4.18Å; F39-F58 HydrophobicContact CE1-CB 3.96Å; F39-F58 AromaticContact CE1-CD2 3.79Å; F39-F58 HydrophobicContact CE1-CD2 3.79Å; F39-F58 HydrophobicContact CE1-CG 4.33Å; F39-F58 HydrophobicContact CE2-CB 3.94Å; F39-F58 HydrophobicContact CE2-CD2 4.22Å; F39-F58 AromaticContact CG-CD2 3.94Å; F39-F58 HydrophobicContact CG-CD2 3.94Å; F39-F58 HydrophobicContact CZ-CB 3.52Å; F39-F58 HydrophobicContact CZ-CD2 4.03Å; F39-F58 HydrophobicContact CZ-CG 4.28Å; I54-F58 WeakPolarHBondContact O-CB 3.25Å; I54-F58 PolarHBondContact O-N 3.36Å; R55-F58 WeakPolarHBondContact O-CB 3.44Å; R55-F58 PolarHBondContact O-N 3.3Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 2.9Å; F58-K60 VanDerWaalsContact C-N 3.3Å; F58-K60 PolarHBondContact O-N 3.28Å; F58-R61 WeakPolarHBondContact O-CB 3.04Å; F58-R61 PolarHBondContact O-N 3.07Å; F58-R61 VanDerWaalsContact O-N 3.11Å; F58-C62 WeakPolarHBondContact CE1-SG 3.45Å; F58-C62 VanDerWaalsContact CZ-SG 3.58Å; F58-C62 PolarHBondContact O-N 3.2Å; F58-F72 HydrophobicContact CE2-CE1 4.24Å; F58-F72 HydrophobicContact CZ-CD1 4.43Å; F58-F72 AromaticContact CZ-CE1 3.83Å; F58-F72 HydrophobicContact CZ-CE1 3.83Å; F58-V76 HydrophobicContact CE1-CG2 3.71Å; F58-V76 HydrophobicContact CZ-CG2 3.83Å; F58-L87 HydrophobicContact CD1-CD1 3.38Å; F58-L87 HydrophobicContact CE1-CD1 3.51Å; F58-L87 HydrophobicContact CG-CD1 4.31Å; F58-L90 HydrophobicContact CD1-CD2 3.91Å; F58-L90 HydrophobicContact CD2-CD2 3.63Å; F58-L90 HydrophobicContact CE1-CD2 3.64Å; F58-L90 HydrophobicContact CE2-CD2 3.38Å; F58-L90 HydrophobicContact CG-CD2 3.88Å; F58-L90 HydrophobicContact CZ-CD2 3.37Å
59	M	96.5	Very high	95.8	Very high	50 Å²	50	66.5 Å²	66.5	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-45.4	176	-68.5	-63.2	-65.6	0	0	110.7	R55 D56 R61 C62 E63 G78 L87	R55-M59 HydrophobicContact CG-CG 4.48Å; R55-M59 VanDerWaalsContact O-CG 3.28Å; R55-M59 WeakPolarHBondContact O-CG 3.36Å; R55-M59 PolarHBondContact O-N 3.09Å; D56-M59 PolarHBondContact O-N 3.15Å; M59-R61 VanDerWaalsContact C-N 3.34Å; M59-R61 PolarHBondContact O-N 2.93Å; M59-C62 WeakPolarHBondContact O-CB 3.19Å; M59-C62 PolarHBondContact O-N 3.1Å; M59-C62 VanDerWaalsContact O-N 3.12Å; M59-E63 PolarHBondContact O-N 3.19Å; M59-G78 WeakPolarHBondContact CE-O 3.47Å; M59-L87 HydrophobicContact CG-CD2 4.3Å; M59-L87 HydrophobicContact SD-CD2 3.65Å
60	K	96.6	Very high	96.1	Very high	154 Å²	154	63.3 Å²	63.3	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-60.9	-41.4	175.5	-174.6	178.8	-179.4	-178.8	0	112.2	D56 A57 F58 C62 E63	D56-K60 WeakPolarHBondContact O-CB 3.35Å; D56-K60 PolarHBondContact O-N 2.94Å; A57-K60 PolarHBondContact O-N 3.45Å; F58-K60 VanDerWaalsContact C-N 3.3Å; F58-K60 PolarHBondContact O-N 3.28Å; K60-C62 VanDerWaalsContact C-N 3.29Å; K60-C62 PolarHBondContact O-N 3.12Å; K60-E63 PolarHBondContact O-N 3.49Å
61	R	97.3	Very high	96.1	Very high	95 Å²	95	63 Å²	63	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-42	174.4	-178.1	59.5	170.6	162.6	-4.5	111	F35 F39 A57 F58 M59 S64 S65	F35-R61 HydrophobicContact CE1-CG 4.46Å; F35-R61 HydrophobicContact CE2-CG 4.2Å; F35-R61 HydrophobicContact CZ-CG 3.74Å; F39-R61 HydrophobicContact CD2-CB 4.26Å; F39-R61 HydrophobicContact CD2-CG 4.34Å; A57-R61 PolarHBondContact O-N 3.18Å; F58-R61 WeakPolarHBondContact O-CB 3.04Å; F58-R61 PolarHBondContact O-N 3.07Å; F58-R61 VanDerWaalsContact O-N 3.11Å; M59-R61 VanDerWaalsContact C-N 3.34Å; M59-R61 PolarHBondContact O-N 2.93Å; R61-S64 PolarHBondContact O-N 3.31Å; R61-S64 PolarHBondContact O-OG 3.01Å; R61-S65 PolarHBondContact O-N 2.67Å
62	C	97.9	Very high	96.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-32.6	178.7	-76.2	0	0	0	0	114.3	F58 M59 K60 S64 S65 C73 G78 L79	F58-C62 WeakPolarHBondContact CE1-SG 3.45Å; F58-C62 VanDerWaalsContact CZ-SG 3.58Å; F58-C62 PolarHBondContact O-N 3.2Å; M59-C62 WeakPolarHBondContact O-CB 3.19Å; M59-C62 PolarHBondContact O-N 3.1Å; M59-C62 VanDerWaalsContact O-N 3.12Å; K60-C62 VanDerWaalsContact C-N 3.29Å; K60-C62 PolarHBondContact O-N 3.12Å; C62-S64 PolarHBondContact O-N 2.72Å; C62-S65 WeakPolarHBondContact O-CB 3.41Å; C62-S65 PolarHBondContact O-N 2.74Å; C62-S65 VanDerWaalsContact O-N 3.09Å; C62-S65 PolarHBondContact O-OG 3.37Å; C62-C73 WeakPolarHBondContact CA-SG 3.49Å; C62-C73 HydrophobicContact CB-CB 3.61Å; C62-C73 WeakPolarHBondContact CB-SG 3.27Å; C62-C73 WeakPolarHBondContact SG-CB 3.29Å; C62-C73 CovalentContact SG-SG 2.04Å; C62-C73 PolarHBondContact SG-SG 3.27Å; C62-G78 WeakPolarHBondContact CB-O 3.47Å; C62-L79 HydrophobicContact CB-CD2 3.93Å; C62-L79 WeakPolarHBondContact O-CD2 3.19Å
63	E	96	Very high	96.3	Very high	131 Å²	131	58 Å²	58	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-59.6	-34	176.5	-70.5	178.5	160.1	0	0	113	M59 K60	M59-E63 PolarHBondContact O-N 3.19Å; K60-E63 PolarHBondContact O-N 3.49Å
64	S	92.9	Very high	96.3	Very high	80 Å²	80	59 Å²	59	56%	0.559	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.7	178	67.1	0	0	0	0	114.4	R61 C62	R61-S64 PolarHBondContact O-N 3.31Å; R61-S64 PolarHBondContact O-OG 3.01Å; C62-S64 PolarHBondContact O-N 2.72Å
65	S	94.4	Very high	96.2	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.084	32%	0.32	C	S	.	.			trans	-74.9	144.5	-175.1	70	0	0	0	0	111.8	R61 C62 N70	R61-S65 PolarHBondContact O-N 2.67Å; C62-S65 WeakPolarHBondContact O-CB 3.41Å; C62-S65 PolarHBondContact O-N 2.74Å; C62-S65 VanDerWaalsContact O-N 3.09Å; C62-S65 PolarHBondContact O-OG 3.37Å; S65-N70 WeakPolarHBondContact O-CB 3.37Å; S65-N70 PolarHBondContact O-ND2 3.21Å; S65-N70 VanDerWaalsContact OG-CA 3.24Å; S65-N70 WeakPolarHBondContact OG-CA 3.29Å; S65-N70 PolarHBondContact OG-ND2 3.2Å
66	V	91.1	Very high	96.2	Very high	116 Å²	116	56.9 Å²	56.9	70%	0.703	30%	0.3	S	S	*	.			trans	-129.4	163.3	178.5	-63.8	0	0	0	0	111.2	K68 D69 N70	V66-K68 PolarHBondContact O-N 3.03Å; V66-D69 PolarHBondContact O-N 2.77Å; V66-N70 PolarHBondContact O-N 2.78Å
67	G	93.1	Very high	96.2	Very high	57 Å²	57	53.4 Å²	53.4	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	56.1	-126.1	174.4	0	0	0	0	0	113.3	N70 S71	G67-N70 PolarHBondContact O-N 3.05Å; G67-S71 PolarHBondContact O-N 3.16Å; G67-S71 PolarHBondContact O-OG 3.25Å; G67-S71 VanDerWaalsContact O-OG 3.06Å
68	K	95.9	Very high	96.2	Very high	91 Å²	91	52.1 Å²	52.1	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-73.6	-27.3	-175.9	-65.4	-67.9	178.8	-165.5	0	113.7	V31 V66 N70 S71 F72 L117 R118 Y119	V31-K68 HydrophobicContact CG1-CB 4.24Å; V31-K68 HydrophobicContact CG2-CB 4.09Å; V66-K68 PolarHBondContact O-N 3.03Å; K68-N70 VanDerWaalsContact C-N 3.34Å; K68-S71 WeakPolarHBondContact O-CB 3.34Å; K68-S71 PolarHBondContact O-N 2.91Å; K68-F72 PolarHBondContact O-N 3.48Å; K68-L117 HydrophobicContact CD-CD2 4.36Å; K68-R118 WeakPolarHBondContact CD-O 3.45Å; K68-R118 WeakPolarHBondContact CE-O 3.39Å; K68-R118 VanDerWaalsContact CG-O 3.29Å; K68-R118 WeakPolarHBondContact CG-O 3.14Å; K68-Y119 HydrophobicContact CB-CD1 4.05Å; K68-Y119 HydrophobicContact CB-CE1 4.11Å
69	D	96.8	Very high	96.1	Very high	35 Å²	35	53.4 Å²	53.4	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-41.2	172.1	-67.8	-6.4	0	0	0	110.4	F35 V66 S71 F72 C73 Y119	F35-D69 HydrophobicContact CD2-CB 3.59Å; F35-D69 WeakPolarHBondContact CD2-OD2 3.4Å; F35-D69 HydrophobicContact CE2-CB 3.57Å; F35-D69 HydrophobicContact CG-CB 4.35Å; F35-D69 HydrophobicContact CZ-CB 4.32Å; V66-D69 PolarHBondContact O-N 2.77Å; D69-S71 VanDerWaalsContact C-N 3.35Å; D69-S71 PolarHBondContact O-N 2.86Å; D69-F72 WeakPolarHBondContact O-CB 3.44Å; D69-F72 PolarHBondContact O-N 3.35Å; D69-C73 PolarHBondContact O-N 2.88Å; D69-C73 PolarHBondContact O-SG 3.45Å; D69-Y119 WeakPolarHBondContact OD1-CE1 3.41Å; D69-Y119 VanDerWaalsContact OD1-CZ 3.29Å; D69-Y119 PolarHBondContact OD1-OH 3.29Å
70	N	97.4	Very high	95.9	Very high	57 Å²	57	60 Å²	60	31%	0.305	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-40.5	173.6	-168.9	-88.1	0	0	0	112.1	S65 V66 G67 K68 F72 C73 Y74	S65-N70 WeakPolarHBondContact O-CB 3.37Å; S65-N70 PolarHBondContact O-ND2 3.21Å; S65-N70 VanDerWaalsContact OG-CA 3.24Å; S65-N70 WeakPolarHBondContact OG-CA 3.29Å; S65-N70 PolarHBondContact OG-ND2 3.2Å; V66-N70 PolarHBondContact O-N 2.78Å; G67-N70 PolarHBondContact O-N 3.05Å; K68-N70 VanDerWaalsContact C-N 3.34Å; N70-F72 VanDerWaalsContact C-N 3.3Å; N70-F72 PolarHBondContact O-N 3.18Å; N70-C73 WeakPolarHBondContact O-CB 3.32Å; N70-C73 PolarHBondContact O-N 3.43Å; N70-Y74 WeakPolarHBondContact O-CB 3.36Å; N70-Y74 PolarHBondContact O-N 2.69Å
71	S	96.5	Very high	95.7	Very high	35 Å²	35	57.9 Å²	57.9	25%	0.245	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-41.2	174.1	-53.9	0	0	0	0	111.6	G67 K68 D69 Y74 Y75	G67-S71 PolarHBondContact O-N 3.16Å; G67-S71 PolarHBondContact O-OG 3.25Å; G67-S71 VanDerWaalsContact O-OG 3.06Å; K68-S71 WeakPolarHBondContact O-CB 3.34Å; K68-S71 PolarHBondContact O-N 2.91Å; D69-S71 VanDerWaalsContact C-N 3.35Å; D69-S71 PolarHBondContact O-N 2.86Å; S71-Y74 WeakPolarHBondContact O-CB 3.18Å; S71-Y74 PolarHBondContact O-N 3.09Å; S71-Y75 PolarHBondContact O-N 3.44Å; S71-Y75 VanDerWaalsContact O-N 3.09Å
72	F	98	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-50.2	174.6	172.6	-97.9	0	0	0	111.4	V31 C32 F35 V36 F58 K68 D69 N70 Y74 Y75 V76 L107 I114 L117	V31-F72 HydrophobicContact CG1-CB 3.99Å; C32-F72 HydrophobicContact CB-CD2 4.23Å; C32-F72 HydrophobicContact CB-CE2 3.75Å; F35-F72 AromaticContact CD1-CD1 3.39Å; F35-F72 HydrophobicContact CD1-CD1 3.39Å; F35-F72 AromaticContact CD1-CE1 3.6Å; F35-F72 HydrophobicContact CD1-CE1 3.6Å; F35-F72 HydrophobicContact CD1-CG 4.46Å; F35-F72 AromaticContact CE1-CD1 3.88Å; F35-F72 HydrophobicContact CE1-CD1 3.88Å; F35-F72 HydrophobicContact CE1-CE1 4.17Å; F35-F72 HydrophobicContact CG-CD1 4.24Å; V36-F72 HydrophobicContact CG2-CE1 3.82Å; V36-F72 HydrophobicContact CG2-CE2 4.45Å; V36-F72 HydrophobicContact CG2-CZ 3.48Å; V36-F72 VanDerWaalsContact CG2-CZ 3.48Å; F58-F72 HydrophobicContact CE2-CE1 4.24Å; F58-F72 HydrophobicContact CZ-CD1 4.43Å; F58-F72 AromaticContact CZ-CE1 3.83Å; F58-F72 HydrophobicContact CZ-CE1 3.83Å; K68-F72 PolarHBondContact O-N 3.48Å; D69-F72 WeakPolarHBondContact O-CB 3.44Å; D69-F72 PolarHBondContact O-N 3.35Å; N70-F72 VanDerWaalsContact C-N 3.3Å; N70-F72 PolarHBondContact O-N 3.18Å; F72-Y74 PolarHBondContact O-N 3.12Å; F72-Y75 PolarHBondContact O-N 3.49Å; F72-Y75 VanDerWaalsContact O-N 3.1Å; F72-V76 HydrophobicContact CD1-CG2 4.5Å; F72-V76 HydrophobicContact CD2-CG1 4.23Å; F72-V76 HydrophobicContact CE1-CG1 4.19Å; F72-V76 HydrophobicContact CE1-CG2 4.18Å; F72-V76 HydrophobicContact CE2-CG1 3.71Å; F72-V76 HydrophobicContact CZ-CG1 3.7Å; F72-V76 HydrophobicContact CZ-CG2 4.48Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 3.14Å; F72-L107 HydrophobicContact CE2-CD1 4.18Å; F72-L107 HydrophobicContact CZ-CD1 4.04Å; F72-I114 HydrophobicContact CD2-CG2 3.88Å; F72-I114 HydrophobicContact CE2-CG2 3.7Å; F72-L117 HydrophobicContact CB-CD1 3.79Å
73	C	98.2	Very high	95.1	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-54.5	-41.6	174.6	-76.8	0	0	0	0	112	F35 C62 D69 N70 V76 G77 G78 L79	F35-C73 VanDerWaalsContact CE1-SG 3.58Å; C62-C73 WeakPolarHBondContact CA-SG 3.49Å; C62-C73 HydrophobicContact CB-CB 3.61Å; C62-C73 WeakPolarHBondContact CB-SG 3.27Å; C62-C73 WeakPolarHBondContact SG-CB 3.29Å; C62-C73 CovalentContact SG-SG 2.04Å; C62-C73 PolarHBondContact SG-SG 3.27Å; D69-C73 PolarHBondContact O-N 2.88Å; D69-C73 PolarHBondContact O-SG 3.45Å; N70-C73 WeakPolarHBondContact O-CB 3.32Å; N70-C73 PolarHBondContact O-N 3.43Å; C73-V76 PolarHBondContact O-N 3.25Å; C73-G77 PolarHBondContact O-N 3.15Å; C73-G78 WeakPolarHBondContact O-CA 3.31Å; C73-G78 PolarHBondContact O-N 3.04Å; C73-L79 HydrophobicContact CB-CD1 4.32Å; C73-L79 HydrophobicContact CB-CD2 4.17Å; C73-L79 HydrophobicContact CB-CG 3.95Å
74	Y	97	Very high	94.6	Very high	102 Å²	102	54.5 Å²	54.5	40%	0.4	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-48	175.9	-177.1	-105.2	0	0	0	111.9	N70 S71 F72 V76 G77 L79 T81 S82	N70-Y74 WeakPolarHBondContact O-CB 3.36Å; N70-Y74 PolarHBondContact O-N 2.69Å; S71-Y74 WeakPolarHBondContact O-CB 3.18Å; S71-Y74 PolarHBondContact O-N 3.09Å; F72-Y74 PolarHBondContact O-N 3.12Å; Y74-V76 PolarHBondContact O-N 3.47Å; Y74-G77 PolarHBondContact O-N 3.43Å; Y74-L79 HydrophobicContact CD2-CD1 4.41Å; Y74-T81 WeakPolarHBondContact CE2-O 3.34Å; Y74-S82 VanDerWaalsContact CA-OG 3.31Å; Y74-S82 WeakPolarHBondContact CA-OG 3.47Å; Y74-S82 WeakPolarHBondContact O-CB 3.48Å; Y74-S82 PolarHBondContact O-OG 3.2Å
75	Y	96.8	Very high	94.3	Very high	66 Å²	66	57.5 Å²	57.5	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-33.4	-178.8	-70.2	-4.9	0	0	0	114	S71 F72 A84 Q113 I114 L117	S71-Y75 PolarHBondContact O-N 3.44Å; S71-Y75 VanDerWaalsContact O-N 3.09Å; F72-Y75 PolarHBondContact O-N 3.49Å; F72-Y75 VanDerWaalsContact O-N 3.1Å; Y75-A84 WeakPolarHBondContact O-CB 3.48Å; Y75-Q113 HydrophobicContact CD2-CB 4.48Å; Y75-Q113 HydrophobicContact CE2-CB 3.97Å; Y75-I114 HydrophobicContact CD2-CG1 4.16Å; Y75-L117 HydrophobicContact CD2-CD1 3.99Å; Y75-L117 HydrophobicContact CD2-CG 4.32Å; Y75-L117 HydrophobicContact CE2-CD1 4.18Å; Y75-L117 HydrophobicContact CE2-CD2 3.89Å; Y75-L117 HydrophobicContact CE2-CG 4.06Å
76	V	97	Very high	94.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-87.8	-6.3	-178.1	-57.6	0	0	0	0	114.4	F58 F72 C73 Y74 I86 L87 L107 I114	F58-V76 HydrophobicContact CE1-CG2 3.71Å; F58-V76 HydrophobicContact CZ-CG2 3.83Å; F72-V76 HydrophobicContact CD1-CG2 4.5Å; F72-V76 HydrophobicContact CD2-CG1 4.23Å; F72-V76 HydrophobicContact CE1-CG1 4.19Å; F72-V76 HydrophobicContact CE1-CG2 4.18Å; F72-V76 HydrophobicContact CE2-CG1 3.71Å; F72-V76 HydrophobicContact CZ-CG1 3.7Å; F72-V76 HydrophobicContact CZ-CG2 4.48Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 3.14Å; C73-V76 PolarHBondContact O-N 3.25Å; Y74-V76 PolarHBondContact O-N 3.47Å; V76-I86 HydrophobicContact CB-CG1 4.3Å; V76-I86 HydrophobicContact CG1-CD1 4.42Å; V76-L87 HydrophobicContact CG2-CD1 4.48Å; V76-L87 WeakPolarHBondContact O-CA 3.39Å; V76-L87 WeakPolarHBondContact O-CB 3.36Å; V76-L87 PolarHBondContact O-N 3.42Å; V76-L107 HydrophobicContact CG1-CD1 4.19Å; V76-L107 HydrophobicContact CG1-CD2 4.41Å; V76-I114 HydrophobicContact CG1-CD1 3.97Å
77	G	96.5	Very high	94.5	Very high	13 Å²	13	53.3 Å²	53.3	13%	0.134	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	19.3	-174.9	0	0	0	0	0	114.4	C73 Y74 L79 A84	C73-G77 PolarHBondContact O-N 3.15Å; Y74-G77 PolarHBondContact O-N 3.43Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-A84 WeakPolarHBondContact CA-O 3.49Å
78	G	96.8	Very high	94.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	30%	0.298	C	S	.	.			trans	-81.4	-5.2	-178.7	0	0	0	0	0	115	M59 C62 C73	M59-G78 WeakPolarHBondContact CE-O 3.47Å; C62-G78 WeakPolarHBondContact CB-O 3.47Å; C73-G78 WeakPolarHBondContact O-CA 3.31Å; C73-G78 PolarHBondContact O-N 3.04Å
79	L	96.1	Very high	94.6	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.136	29%	0.294	C	S	.	.	S	Bend	trans	-118	150.4	179.6	-58.3	175	0	0	0	110.4	C62 C73 Y74 G77 T81 S82	C62-L79 HydrophobicContact CB-CD2 3.93Å; C62-L79 WeakPolarHBondContact O-CD2 3.19Å; C73-L79 HydrophobicContact CB-CD1 4.32Å; C73-L79 HydrophobicContact CB-CD2 4.17Å; C73-L79 HydrophobicContact CB-CG 3.95Å; Y74-L79 HydrophobicContact CD2-CD1 4.41Å; G77-L79 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.05Å; L79-T81 VanDerWaalsContact O-N 3.16Å; L79-S82 PolarHBondContact N-OG 2.84Å; L79-S82 WeakPolarHBondContact O-CB 3.46Å; L79-S82 PolarHBondContact O-N 3.26Å; L79-S82 PolarHBondContact O-OG 3.36Å
80	K	92	Very high	94.6	Very high	188 Å²	188	50.9 Å²	50.9	82%	0.817	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.8	176.6	-65.1	178.2	-175.6	169.8	0	113.3
81	T	92.2	Very high	94.6	Very high	110 Å²	110	48.2 Å²	48.2	68%	0.675	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.8	177.2	52.1	0	0	0	0	113.1	Y74 L79 A83	Y74-T81 WeakPolarHBondContact CE2-O 3.34Å; L79-T81 PolarHBondContact O-N 3.05Å; L79-T81 VanDerWaalsContact O-N 3.16Å; T81-A83 PolarHBondContact O-N 2.92Å
82	S	93.3	Very high	94.6	Very high	22 Å²	22	49.2 Å²	49.2	15%	0.154	27%	0.273	C	S	.	.			trans	-66.1	132.2	177.9	-69	0	0	0	0	110.9	Y74 L79	Y74-S82 VanDerWaalsContact CA-OG 3.31Å; Y74-S82 WeakPolarHBondContact CA-OG 3.47Å; Y74-S82 WeakPolarHBondContact O-CB 3.48Å; Y74-S82 PolarHBondContact O-OG 3.2Å; L79-S82 PolarHBondContact N-OG 2.84Å; L79-S82 WeakPolarHBondContact O-CB 3.46Å; L79-S82 PolarHBondContact O-N 3.26Å; L79-S82 PolarHBondContact O-OG 3.36Å
83	A	88.4	Confident	94.5	Very high	96 Å²	96	49.3 Å²	49.3	79%	0.793	27%	0.274	S	S	*	.			trans	-81.9	-22.2	168.3	0	0	0	0	0	112.4	T81	T81-A83 PolarHBondContact O-N 2.92Å
84	A	86	Confident	94.5	Very high	37 Å²	37	49.4 Å²	49.4	31%	0.306	28%	0.275	S	S	.	.			trans	-72.6	144	-178.6	0	0	0	0	0	111.8	Y75 G77	Y75-A84 WeakPolarHBondContact O-CB 3.48Å; G77-A84 WeakPolarHBondContact CA-O 3.49Å
85	N	86	Confident	94.5	Very high	143 Å²	143	45.8 Å²	45.8	77%	0.765	26%	0.264	S	S	*	.			trans	-127.2	45.3	176.9	-167.2	24.9	0	0	0	111.2
86	I	94.7	Very high	94.4	Very high	29 Å²	29	50.7 Å²	50.7	15%	0.149	28%	0.282	C	S	.	.			trans	-101.8	7.2	-176.6	68.9	169.1	0	0	0	112.4	V76 N88 S89 L107 I110 I114	V76-I86 HydrophobicContact CB-CG1 4.3Å; V76-I86 HydrophobicContact CG1-CD1 4.42Å; I86-N88 PolarHBondContact O-N 3.42Å; I86-S89 WeakPolarHBondContact O-CA 3.02Å; I86-S89 VanDerWaalsContact O-CB 3.22Å; I86-S89 WeakPolarHBondContact O-CB 3.46Å; I86-S89 PolarHBondContact O-N 3.45Å; I86-L107 HydrophobicContact CD1-CD2 4.17Å; I86-I110 HydrophobicContact CB-CG2 4.26Å; I86-I110 HydrophobicContact CD1-CG2 4.25Å; I86-I110 HydrophobicContact CG2-CG2 3.59Å; I86-I114 HydrophobicContact CD1-CD1 3.77Å
87	L	95	Very high	94.3	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.058	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.1	-174.3	-173.8	59.5	0	0	0	112.9	R55 F58 M59 V76 S89 L90 V91	R55-L87 HydrophobicContact CG-CD2 3.68Å; R55-L87 HydrophobicContact CG-CG 4.39Å; F58-L87 HydrophobicContact CD1-CD1 3.38Å; F58-L87 HydrophobicContact CE1-CD1 3.51Å; F58-L87 HydrophobicContact CG-CD1 4.31Å; M59-L87 HydrophobicContact CG-CD2 4.3Å; M59-L87 HydrophobicContact SD-CD2 3.65Å; V76-L87 HydrophobicContact CG2-CD1 4.48Å; V76-L87 WeakPolarHBondContact O-CA 3.39Å; V76-L87 WeakPolarHBondContact O-CB 3.36Å; V76-L87 PolarHBondContact O-N 3.42Å; L87-S89 PolarHBondContact O-N 2.99Å; L87-L90 HydrophobicContact CD1-CB 4.44Å; L87-L90 HydrophobicContact CD1-CD2 3.8Å; L87-L90 WeakPolarHBondContact O-CA 3.49Å; L87-L90 VanDerWaalsContact O-CB 3.31Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.22Å; L87-V91 HydrophobicContact CD1-CG2 4.24Å; L87-V91 HydrophobicContact CG-CG2 4.03Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.11Å
88	N	95.4	Very high	94.3	Very high	89 Å²	89	60.2 Å²	60.2	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-30.7	174.3	-66.4	-12.4	0	0	0	112.3	I86 L90 V91 D92	I86-N88 PolarHBondContact O-N 3.42Å; N88-L90 PolarHBondContact O-N 3.27Å; N88-V91 PolarHBondContact O-N 3.24Å; N88-D92 WeakPolarHBondContact O-CB 3.42Å; N88-D92 PolarHBondContact O-N 3.22Å
89	S	96	Very high	94.3	Very high	43 Å²	43	63.9 Å²	63.9	30%	0.301	35%	0.345	S	S	.	.	H	α-helix	trans	-71	-11.2	174.5	-56.7	0	0	0	0	113.4	I86 L87 P93 I110	I86-S89 WeakPolarHBondContact O-CA 3.02Å; I86-S89 VanDerWaalsContact O-CB 3.22Å; I86-S89 WeakPolarHBondContact O-CB 3.46Å; I86-S89 PolarHBondContact O-N 3.45Å; L87-S89 PolarHBondContact O-N 2.99Å; S89-P93 WeakPolarHBondContact O-CD 3.49Å; S89-P93 WeakPolarHBondContact O-CG 3.37Å; S89-I110 WeakPolarHBondContact OG-CD1 3.38Å
90	L	97	Very high	94.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-94.7	-51.4	167.8	176.2	79.5	0	0	0	110.5	V36 F58 L87 N88 P93 I94 V103 L107	V36-L90 HydrophobicContact CB-CD1 4.45Å; V36-L90 HydrophobicContact CG1-CD1 3.91Å; V36-L90 HydrophobicContact CG2-CD1 3.61Å; F58-L90 HydrophobicContact CD1-CD2 3.91Å; F58-L90 HydrophobicContact CD2-CD2 3.63Å; F58-L90 HydrophobicContact CE1-CD2 3.64Å; F58-L90 HydrophobicContact CE2-CD2 3.38Å; F58-L90 HydrophobicContact CG-CD2 3.88Å; F58-L90 HydrophobicContact CZ-CD2 3.37Å; L87-L90 HydrophobicContact CD1-CB 4.44Å; L87-L90 HydrophobicContact CD1-CD2 3.8Å; L87-L90 WeakPolarHBondContact O-CA 3.49Å; L87-L90 VanDerWaalsContact O-CB 3.31Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.22Å; N88-L90 PolarHBondContact O-N 3.27Å; L90-P93 WeakPolarHBondContact O-CD 3.31Å; L90-I94 HydrophobicContact CD1-CD1 3.93Å; L90-I94 HydrophobicContact CG-CD1 3.86Å; L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.05Å; L90-I94 PolarHBondContact O-N 2.77Å; L90-V103 HydrophobicContact CD1-CG1 3.67Å; L90-L107 HydrophobicContact CB-CD1 4.44Å; L90-L107 HydrophobicContact CB-CD2 4.3Å; L90-L107 HydrophobicContact CD1-CD1 3.82Å
91	V	97.7	Very high	94.7	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-47.9	-171.1	171	0	0	0	0	112.3	P51 I54 R55 L87 N88 I94 S95	P51-V91 HydrophobicContact CB-CG1 3.82Å; P51-V91 WeakPolarHBondContact O-CG1 3.1Å; I54-V91 HydrophobicContact CB-CG1 4.17Å; I54-V91 HydrophobicContact CG2-CG1 4.21Å; R55-V91 HydrophobicContact CB-CG1 4.3Å; R55-V91 HydrophobicContact CB-CG2 3.91Å; R55-V91 HydrophobicContact CG-CG2 4.28Å; L87-V91 HydrophobicContact CD1-CG2 4.24Å; L87-V91 HydrophobicContact CG-CG2 4.03Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.11Å; N88-V91 PolarHBondContact O-N 3.24Å; V91-I94 PolarHBondContact O-N 2.67Å; V91-S95 PolarHBondContact O-N 2.9Å
92	D	96.4	Very high	94.9	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-47.2	-175	-60.2	-27.8	0	0	0	111.4	N88 I94 S95 W96	N88-D92 WeakPolarHBondContact O-CB 3.42Å; N88-D92 PolarHBondContact O-N 3.22Å; D92-I94 VanDerWaalsContact C-N 3.31Å; D92-I94 PolarHBondContact O-N 3.47Å; D92-S95 WeakPolarHBondContact O-CB 3.44Å; D92-S95 PolarHBondContact O-N 2.81Å; D92-S95 VanDerWaalsContact O-N 3.1Å; D92-S95 PolarHBondContact O-OG 3.07Å; D92-W96 HydrophobicContact CB-CH2 4.05Å; D92-W96 HydrophobicContact CB-CZ2 3.78Å; D92-W96 VanDerWaalsContact O-CD2 3.3Å; D92-W96 PolarHBondContact O-N 3.48Å; D92-W96 VanDerWaalsContact O-N 3.17Å
93	P	97	Very high	95.2	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-38.1	173.3	-29.7	40	0	0	0	114.4	S89 L90 S95 W96 K97 M98 V103 K106	S89-P93 WeakPolarHBondContact O-CD 3.49Å; S89-P93 WeakPolarHBondContact O-CG 3.37Å; L90-P93 WeakPolarHBondContact O-CD 3.31Å; P93-S95 VanDerWaalsContact C-N 3.34Å; P93-W96 PolarHBondContact O-N 2.98Å; P93-K97 PolarHBondContact O-N 3.06Å; P93-M98 HydrophobicContact CB-CB 4Å; P93-M98 HydrophobicContact CB-CE 4.41Å; P93-M98 HydrophobicContact CB-CG 4.46Å; P93-M98 HydrophobicContact CB-SD 3.9Å; P93-M98 WeakPolarHBondContact O-CB 3.39Å; P93-M98 PolarHBondContact O-N 3.5Å; P93-V103 HydrophobicContact CB-CG1 4.39Å; P93-V103 HydrophobicContact CB-CG2 3.82Å; P93-K106 HydrophobicContact CB-CD 4.44Å; P93-K106 HydrophobicContact CG-CD 3.75Å
94	I	97.7	Very high	95.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-41	175.9	-68.4	171.9	0	0	0	110.6	V36 F39 I40 L43 F48 I54 L90 V91 D92 W96 K97 V103	V36-I94 HydrophobicContact CG1-CD1 4.05Å; F39-I94 HydrophobicContact CD1-CD1 4.1Å; F39-I94 HydrophobicContact CE1-CD1 4.04Å; I40-I94 HydrophobicContact CD1-CD1 4.3Å; I40-I94 HydrophobicContact CD1-CG1 3.98Å; I40-I94 HydrophobicContact CG1-CD1 4.06Å; I40-I94 HydrophobicContact CG1-CG1 4.08Å; I40-I94 HydrophobicContact CG1-CG2 4.04Å; L43-I94 HydrophobicContact CD1-CG2 4.02Å; F48-I94 HydrophobicContact CE1-CG2 4.12Å; I54-I94 HydrophobicContact CD1-CG2 4.25Å; I54-I94 HydrophobicContact CG2-CB 4.39Å; I54-I94 HydrophobicContact CG2-CG2 3.96Å; L90-I94 HydrophobicContact CD1-CD1 3.93Å; L90-I94 HydrophobicContact CG-CD1 3.86Å; L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.05Å; L90-I94 PolarHBondContact O-N 2.77Å; V91-I94 PolarHBondContact O-N 2.67Å; D92-I94 VanDerWaalsContact C-N 3.31Å; D92-I94 PolarHBondContact O-N 3.47Å; I94-W96 PolarHBondContact O-N 3.33Å; I94-K97 WeakPolarHBondContact O-CA 3.48Å; I94-K97 PolarHBondContact O-N 3.05Å; I94-V103 HydrophobicContact CG1-CG1 4.45Å; I94-V103 HydrophobicContact CG1-CG2 4.34Å
95	S	96.6	Very high	96.2	Very high	26 Å²	26	53.1 Å²	53.1	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-32.2	177.5	81.5	0	0	0	0	112.3	V91 D92 P93 K97	V91-S95 PolarHBondContact O-N 2.9Å; D92-S95 WeakPolarHBondContact O-CB 3.44Å; D92-S95 PolarHBondContact O-N 2.81Å; D92-S95 VanDerWaalsContact O-N 3.1Å; D92-S95 PolarHBondContact O-OG 3.07Å; P93-S95 VanDerWaalsContact C-N 3.34Å; S95-K97 PolarHBondContact O-N 3.28Å
96	W	95.1	Very high	96.7	Very high	169 Å²	169	50.5 Å²	50.5	64%	0.64	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	8.5	175	-47.7	-27.1	0	0	0	113.5	D92 P93 I94 M98	D92-W96 HydrophobicContact CB-CH2 4.05Å; D92-W96 HydrophobicContact CB-CZ2 3.78Å; D92-W96 VanDerWaalsContact O-CD2 3.3Å; D92-W96 PolarHBondContact O-N 3.48Å; D92-W96 VanDerWaalsContact O-N 3.17Å; P93-W96 PolarHBondContact O-N 2.98Å; I94-W96 PolarHBondContact O-N 3.33Å; W96-M98 HydrophobicContact CE3-CE 4.37Å; W96-M98 PolarHBondContact O-N 3.43Å
97	K	94.4	Very high	96.8	Very high	163 Å²	163	49.1 Å²	49.1	71%	0.709	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.8	-178.1	-55.3	-176.1	177.9	-175.2	0	112.7	F48 P93 I94 S95	F48-K97 HydrophobicContact CE1-CG 4.49Å; P93-K97 PolarHBondContact O-N 3.06Å; I94-K97 WeakPolarHBondContact O-CA 3.48Å; I94-K97 PolarHBondContact O-N 3.05Å; S95-K97 PolarHBondContact O-N 3.28Å
98	M	97.1	Very high	96.9	Very high	49 Å²	49	49.5 Å²	49.5	24%	0.241	24%	0.24	C	C	.	.			trans	-64.3	139.1	174.3	-173.7	168.5	-64.9	0	0	110.1	P93 W96 K102 V103 K106	P93-M98 HydrophobicContact CB-CB 4Å; P93-M98 HydrophobicContact CB-CE 4.41Å; P93-M98 HydrophobicContact CB-CG 4.46Å; P93-M98 HydrophobicContact CB-SD 3.9Å; P93-M98 WeakPolarHBondContact O-CB 3.39Å; P93-M98 PolarHBondContact O-N 3.5Å; W96-M98 HydrophobicContact CE3-CE 4.37Å; W96-M98 PolarHBondContact O-N 3.43Å; M98-K102 HydrophobicContact CG-CB 3.53Å; M98-K102 HydrophobicContact SD-CB 3.66Å; M98-V103 HydrophobicContact CB-CG2 4.07Å; M98-V103 HydrophobicContact CG-CG2 4.19Å; M98-K106 HydrophobicContact SD-CD 4.03Å
99	P	97	Very high	96.9	Very high	79 Å²	79	52 Å²	52	51%	0.513	25%	0.247	S	C	.	.			trans	-57.5	145.3	175.6	-25.3	34.2	0	0	0	112.3	E101 K102 V103	P99-E101 PolarHBondContact O-N 2.83Å; P99-K102 WeakPolarHBondContact O-CA 3Å; P99-K102 WeakPolarHBondContact O-CB 2.99Å; P99-K102 PolarHBondContact O-N 3.1Å; P99-V103 PolarHBondContact O-N 3.09Å; P99-V103 VanDerWaalsContact O-N 3.09Å
100	V	97.7	Very high	96.8	Very high	24 Å²	24	54.1 Å²	54.1	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-56.1	-37.9	-174.2	63	0	0	0	0	112.7	I33 V36 K102 V103 C104	I33-V100 HydrophobicContact CG2-CG1 4.19Å; I33-V100 HydrophobicContact CG2-CG2 4.45Å; I33-V100 WeakPolarHBondContact O-CG2 3.45Å; V36-V100 HydrophobicContact CB-CG2 3.9Å; V36-V100 HydrophobicContact CG1-CG2 3.9Å; V100-K102 PolarHBondContact O-N 3.28Å; V100-V103 PolarHBondContact O-N 3.34Å; V100-C104 PolarHBondContact O-N 3.3Å
101	E	97.4	Very high	96.7	Very high	84 Å²	84	56 Å²	56	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-32.6	178.8	-60.5	79.7	-176	0	0	111.5	Y24 P26 I33 P99 E105	Y24-E101 PolarHBondContact OH-O 3.45Å; P26-E101 HydrophobicContact CB-CG 4.32Å; I33-E101 HydrophobicContact CD1-CG 4.41Å; P99-E101 PolarHBondContact O-N 2.83Å; E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 3.11Å
102	K	97.6	Very high	96.5	Very high	106 Å²	106	57.9 Å²	57.9	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-79.9	-32.5	177.8	-70.1	-69	172.6	-168.8	0	112.1	M98 P99 V100 E105 K106	M98-K102 HydrophobicContact CG-CB 3.53Å; M98-K102 HydrophobicContact SD-CB 3.66Å; P99-K102 WeakPolarHBondContact O-CA 3Å; P99-K102 WeakPolarHBondContact O-CB 2.99Å; P99-K102 PolarHBondContact O-N 3.1Å; V100-K102 PolarHBondContact O-N 3.28Å; K102-E105 WeakPolarHBondContact CD-OE2 3.38Å; K102-E105 IonicContact NZ-OE2 2.75Å; K102-E105 PolarHBondContact NZ-OE2 3.47Å; K102-E105 PolarHBondContact O-N 2.65Å; K102-K106 PolarHBondContact O-N 3.29Å; K102-K106 VanDerWaalsContact O-N 3.11Å
103	V	98.1	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-49.6	169.5	-175	0	0	0	0	110.1	V36 L90 P93 I94 M98 P99 V100 E105 K106 L107	V36-V103 HydrophobicContact CG1-CG1 4.43Å; L90-V103 HydrophobicContact CD1-CG1 3.67Å; P93-V103 HydrophobicContact CB-CG1 4.39Å; P93-V103 HydrophobicContact CB-CG2 3.82Å; I94-V103 HydrophobicContact CG1-CG1 4.45Å; I94-V103 HydrophobicContact CG1-CG2 4.34Å; M98-V103 HydrophobicContact CB-CG2 4.07Å; M98-V103 HydrophobicContact CG-CG2 4.19Å; P99-V103 PolarHBondContact O-N 3.09Å; P99-V103 VanDerWaalsContact O-N 3.09Å; V100-V103 PolarHBondContact O-N 3.34Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 3.49Å; V103-K106 WeakPolarHBondContact O-CB 3.24Å; V103-K106 PolarHBondContact O-N 3.49Å; V103-K106 VanDerWaalsContact O-N 3.14Å; V103-L107 PolarHBondContact O-N 3.25Å
104	C	98.2	Very high	96.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-32.7	177.5	-69.2	0	0	0	0	113	Y24 C32 I33 V100 K106 L107 F108	Y24-C104 HydrophobicContact CE2-CB 4.41Å; C32-C104 HydrophobicContact CB-CB 3.99Å; C32-C104 WeakPolarHBondContact CB-SG 3.49Å; C32-C104 VanDerWaalsContact SG-CA 3.52Å; C32-C104 WeakPolarHBondContact SG-CB 3.38Å; C32-C104 CovalentContact SG-SG 2.05Å; C32-C104 PolarHBondContact SG-SG 3.23Å; I33-C104 HydrophobicContact CG1-CB 4.19Å; I33-C104 PolarHBondContact N-SG 2.92Å; V100-C104 PolarHBondContact O-N 3.3Å; C104-K106 VanDerWaalsContact C-N 3.33Å; C104-K106 PolarHBondContact O-N 3.34Å; C104-L107 PolarHBondContact O-N 2.68Å; C104-F108 VanDerWaalsContact O-CB 3.3Å; C104-F108 WeakPolarHBondContact O-CB 3.2Å; C104-F108 PolarHBondContact O-N 3.38Å
105	E	97.4	Very high	96.2	Very high	38 Å²	38	60.1 Å²	60.1	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-41.6	171.4	-173.2	-174.7	158.3	0	0	111.8	Y24 E101 K102 V103 F108 K109	Y24-E105 HydrophobicContact CD1-CB 3.68Å; Y24-E105 HydrophobicContact CD1-CG 3.55Å; Y24-E105 HydrophobicContact CD2-CB 4.36Å; Y24-E105 HydrophobicContact CD2-CG 4.5Å; Y24-E105 HydrophobicContact CE1-CB 3.57Å; Y24-E105 HydrophobicContact CE1-CG 3.99Å; Y24-E105 HydrophobicContact CE2-CB 4.29Å; Y24-E105 HydrophobicContact CG-CB 4.06Å; Y24-E105 HydrophobicContact CG-CG 3.82Å; E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 3.11Å; K102-E105 WeakPolarHBondContact CD-OE2 3.38Å; K102-E105 IonicContact NZ-OE2 2.75Å; K102-E105 PolarHBondContact NZ-OE2 3.47Å; K102-E105 PolarHBondContact O-N 2.65Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 3.49Å; E105-F108 PolarHBondContact O-N 3.05Å; E105-K109 WeakPolarHBondContact O-CG 3.42Å; E105-K109 PolarHBondContact O-N 3.5Å; E105-K109 VanDerWaalsContact O-N 3.16Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 2.67Å; E105-K109 PolarHBondContact OE1-NZ 3.49Å
106	K	97	Very high	96.1	Very high	88 Å²	88	62.7 Å²	62.7	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-45.3	176.5	-80	176.2	168.1	-77.7	0	111.5	P93 M98 K102 V103 C104 F108 K109 I110	P93-K106 HydrophobicContact CB-CD 4.44Å; P93-K106 HydrophobicContact CG-CD 3.75Å; M98-K106 HydrophobicContact SD-CD 4.03Å; K102-K106 PolarHBondContact O-N 3.29Å; K102-K106 VanDerWaalsContact O-N 3.11Å; V103-K106 WeakPolarHBondContact O-CB 3.24Å; V103-K106 PolarHBondContact O-N 3.49Å; V103-K106 VanDerWaalsContact O-N 3.14Å; C104-K106 VanDerWaalsContact C-N 3.33Å; C104-K106 PolarHBondContact O-N 3.34Å; K106-F108 PolarHBondContact O-N 2.84Å; K106-K109 PolarHBondContact O-N 3.27Å; K106-I110 WeakPolarHBondContact O-CG1 3.42Å; K106-I110 PolarHBondContact O-N 2.88Å
107	L	97.6	Very high	96.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.2	177.1	-67	176.2	0	0	0	111.7	F72 V76 I86 L90 V103 C104 K109 I110 D111 I114	F72-L107 HydrophobicContact CE2-CD1 4.18Å; F72-L107 HydrophobicContact CZ-CD1 4.04Å; V76-L107 HydrophobicContact CG1-CD1 4.19Å; V76-L107 HydrophobicContact CG1-CD2 4.41Å; I86-L107 HydrophobicContact CD1-CD2 4.17Å; L90-L107 HydrophobicContact CB-CD1 4.44Å; L90-L107 HydrophobicContact CB-CD2 4.3Å; L90-L107 HydrophobicContact CD1-CD1 3.82Å; V103-L107 PolarHBondContact O-N 3.25Å; C104-L107 PolarHBondContact O-N 2.68Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 3.4Å; L107-I110 PolarHBondContact O-N 3.32Å; L107-D111 PolarHBondContact O-N 3.05Å; L107-I114 HydrophobicContact CB-CD1 3.85Å; L107-I114 HydrophobicContact CB-CG2 4.49Å
108	F	96.2	Very high	96	Very high	19 Å²	19	51.4 Å²	51.4	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-39.5	175.8	172.7	-95.9	0	0	0	113.5	K22 Y24 C104 E105 K106 I110 D111 S112 C115	K22-F108 HydrophobicContact CB-CE2 4.16Å; K22-F108 HydrophobicContact CB-CZ 3.64Å; K22-F108 WeakPolarHBondContact O-CE1 3.41Å; K22-F108 VanDerWaalsContact O-CZ 3.31Å; K22-F108 WeakPolarHBondContact O-CZ 3.1Å; Y24-F108 HydrophobicContact CD2-CB 3.74Å; Y24-F108 HydrophobicContact CD2-CD1 4Å; Y24-F108 HydrophobicContact CD2-CD2 4.3Å; Y24-F108 AromaticContact CD2-CG 3.74Å; Y24-F108 HydrophobicContact CD2-CG 3.74Å; Y24-F108 HydrophobicContact CE2-CB 4.3Å; Y24-F108 HydrophobicContact CG-CD1 4.26Å; Y24-F108 HydrophobicContact CG-CG 4.45Å; Y24-F108 VanDerWaalsContact N-CE1 3.31Å; C104-F108 VanDerWaalsContact O-CB 3.3Å; C104-F108 WeakPolarHBondContact O-CB 3.2Å; C104-F108 PolarHBondContact O-N 3.38Å; E105-F108 PolarHBondContact O-N 3.05Å; K106-F108 PolarHBondContact O-N 2.84Å; F108-I110 PolarHBondContact O-N 2.04Å; F108-D111 CarbonylContact O-C 3.26Å; F108-D111 VanDerWaalsContact O-C 3.26Å; F108-S112 WeakPolarHBondContact O-CA 3.2Å; F108-S112 PolarHBondContact O-N 3.16Å; F108-S112 VanDerWaalsContact O-N 3.11Å; F108-C115 HydrophobicContact CD2-CB 3.77Å; F108-C115 VanDerWaalsContact CD2-SG 3.6Å; F108-C115 HydrophobicContact CE2-CB 4.34Å
109	K	95.3	Very high	95.7	Very high	143 Å²	143	52.1 Å²	52.1	62%	0.622	25%	0.252	S	S	*	.	H	α-helix	trans	-67.1	-25.5	178.3	-73.7	173.2	-174.4	169.4	0	112.7	E105 K106 L107	E105-K109 WeakPolarHBondContact O-CG 3.42Å; E105-K109 PolarHBondContact O-N 3.5Å; E105-K109 VanDerWaalsContact O-N 3.16Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 2.67Å; E105-K109 PolarHBondContact OE1-NZ 3.49Å; K106-K109 PolarHBondContact O-N 3.27Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 3.4Å
110	I	94.7	Very high	94.8	Very high	86 Å²	86	54 Å²	54	44%	0.441	25%	0.253	S	S	.	.	H	α-helix	trans	-86.4	-47.5	177.3	-60.7	165.5	0	0	0	109.9	I86 S89 K106 L107 F108	I86-I110 HydrophobicContact CB-CG2 4.26Å; I86-I110 HydrophobicContact CD1-CG2 4.25Å; I86-I110 HydrophobicContact CG2-CG2 3.59Å; S89-I110 WeakPolarHBondContact OG-CD1 3.38Å; K106-I110 WeakPolarHBondContact O-CG1 3.42Å; K106-I110 PolarHBondContact O-N 2.88Å; L107-I110 PolarHBondContact O-N 3.32Å; F108-I110 PolarHBondContact O-N 2.04Å
111	D	94.7	Very high	93.7	Very high	41 Å²	41	61.2 Å²	61.2	22%	0.219	28%	0.283	C	S	.	.			trans	-140.7	105.1	176	-175.8	-1.8	0	0	0	110.6	L107 F108 Q113 I114	L107-D111 PolarHBondContact O-N 3.05Å; F108-D111 CarbonylContact O-C 3.26Å; F108-D111 VanDerWaalsContact O-C 3.26Å; D111-Q113 PolarHBondContact O-N 3.14Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.19Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.44Å; D111-Q113 PolarHBondContact OD1-N 3.45Å; D111-I114 HydrophobicContact CB-CD1 4Å; D111-I114 HydrophobicContact CB-CG1 4.21Å; D111-I114 WeakPolarHBondContact O-CB 3.22Å; D111-I114 PolarHBondContact O-N 2.93Å
112	S	93.6	Very high	92.6	Very high	41 Å²	41	63.5 Å²	63.5	29%	0.287	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.4	179	69	0	0	0	0	113.5	F108 I114 C115	F108-S112 WeakPolarHBondContact O-CA 3.2Å; F108-S112 PolarHBondContact O-N 3.16Å; F108-S112 VanDerWaalsContact O-N 3.11Å; S112-I114 PolarHBondContact O-N 3.26Å; S112-C115 PolarHBondContact O-N 2.96Å
113	Q	93.6	Very high	91.9	Very high	100 Å²	100	59.9 Å²	59.9	47%	0.467	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-66.5	-21.9	178.2	-59.6	-172.9	-32.4	0	0	112.4	Y75 D111 C115 D116	Y75-Q113 HydrophobicContact CD2-CB 4.48Å; Y75-Q113 HydrophobicContact CE2-CB 3.97Å; D111-Q113 PolarHBondContact O-N 3.14Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.19Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.44Å; D111-Q113 PolarHBondContact OD1-N 3.45Å; Q113-C115 VanDerWaalsContact C-N 3.26Å; Q113-C115 PolarHBondContact O-N 2.96Å; Q113-D116 WeakPolarHBondContact O-CB 3.41Å; Q113-D116 PolarHBondContact O-N 2.7Å
114	I	96.1	Very high	91.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.6	-43.4	173.4	-69.6	172	0	0	0	110.9	C32 F72 Y75 V76 I86 L107 D111 S112 D116 L117	C32-I114 HydrophobicContact CB-CG2 4.02Å; F72-I114 HydrophobicContact CD2-CG2 3.88Å; F72-I114 HydrophobicContact CE2-CG2 3.7Å; Y75-I114 HydrophobicContact CD2-CG1 4.16Å; V76-I114 HydrophobicContact CG1-CD1 3.97Å; I86-I114 HydrophobicContact CD1-CD1 3.77Å; L107-I114 HydrophobicContact CB-CD1 3.85Å; L107-I114 HydrophobicContact CB-CG2 4.49Å; D111-I114 HydrophobicContact CB-CD1 4Å; D111-I114 HydrophobicContact CB-CG1 4.21Å; D111-I114 WeakPolarHBondContact O-CB 3.22Å; D111-I114 PolarHBondContact O-N 2.93Å; S112-I114 PolarHBondContact O-N 3.26Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 3.16Å; I114-L117 WeakPolarHBondContact O-CB 3.09Å; I114-L117 PolarHBondContact O-N 3.42Å
115	C	95.9	Very high	91.1	Very high	7 Å²	7	64.6 Å²	64.6	5%	0.047	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-87	9.6	175.6	-57.8	0	0	0	0	113	C29 F108 S112 Q113 R118	C29-C115 HydrophobicContact CB-CB 3.68Å; C29-C115 WeakPolarHBondContact CB-SG 3.19Å; C29-C115 VanDerWaalsContact SG-CA 3.54Å; C29-C115 WeakPolarHBondContact SG-CB 3.23Å; C29-C115 CovalentContact SG-SG 2.04Å; C29-C115 PolarHBondContact SG-SG 3.04Å; F108-C115 HydrophobicContact CD2-CB 3.77Å; F108-C115 VanDerWaalsContact CD2-SG 3.6Å; F108-C115 HydrophobicContact CE2-CB 4.34Å; S112-C115 PolarHBondContact O-N 2.96Å; Q113-C115 VanDerWaalsContact C-N 3.26Å; Q113-C115 PolarHBondContact O-N 2.96Å; C115-R118 PolarHBondContact O-NH1 2.78Å; C115-R118 PolarHBondContact O-NH2 2.04Å
116	D	93.8	Very high	90.7	Very high	79 Å²	79	65.2 Å²	65.2	42%	0.422	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-90.2	-14.6	165.3	-66.8	-28.9	0	0	0	111.3	K22 Q113 I114 R118	K22-D116 IonicContact NZ-OD1 3.79Å; K22-D116 PolarHBondContact NZ-OD1 3.28Å; K22-D116 IonicContact NZ-OD2 3.99Å; K22-D116 PolarHBondContact NZ-OD2 2.99Å; Q113-D116 WeakPolarHBondContact O-CB 3.41Å; Q113-D116 PolarHBondContact O-N 2.7Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 3.16Å; D116-R118 PolarHBondContact O-N 3.09Å
117	L	95.3	Very high	90.3	Very high	10 Å²	10	67.6 Å²	67.6	5%	0.052	33%	0.328	C	S	.	.			trans	-65.1	129.9	174.4	-60.9	177.3	0	0	0	110.3	V31 K68 F72 Y75 I114	V31-L117 HydrophobicContact CB-CB 3.85Å; V31-L117 HydrophobicContact CG1-CB 4.14Å; V31-L117 HydrophobicContact CG1-CD1 4.31Å; V31-L117 HydrophobicContact CG2-CB 3.84Å; V31-L117 WeakPolarHBondContact CG2-O 3.33Å; K68-L117 HydrophobicContact CD-CD2 4.36Å; F72-L117 HydrophobicContact CB-CD1 3.79Å; Y75-L117 HydrophobicContact CD2-CD1 3.99Å; Y75-L117 HydrophobicContact CD2-CG 4.32Å; Y75-L117 HydrophobicContact CE2-CD1 4.18Å; Y75-L117 HydrophobicContact CE2-CD2 3.89Å; Y75-L117 HydrophobicContact CE2-CG 4.06Å; I114-L117 WeakPolarHBondContact O-CB 3.09Å; I114-L117 PolarHBondContact O-N 3.42Å
118	R	91.9	Very high	89.9	Confident	86 Å²	86	69.4 Å²	69.4	33%	0.325	34%	0.335	S	S	.	.			trans	-132	135.1	176.3	-65.2	-68.4	179.1	-78	-3.3	108.9	N28 K68 C115 D116	N28-R118 PolarHBondContact O-NH1 3.29Å; N28-R118 PolarHBondContact O-NH2 3.33Å; N28-R118 PolarHBondContact OD1-NH2 3.48Å; K68-R118 WeakPolarHBondContact CD-O 3.45Å; K68-R118 WeakPolarHBondContact CE-O 3.39Å; K68-R118 VanDerWaalsContact CG-O 3.29Å; K68-R118 WeakPolarHBondContact CG-O 3.14Å; C115-R118 PolarHBondContact O-NH1 2.78Å; C115-R118 PolarHBondContact O-NH2 2.04Å; D116-R118 PolarHBondContact O-N 3.09Å
119	Y	89.6	Confident	89.8	Confident	63 Å²	63	72 Å²	72	25%	0.247	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.8	165.1	-65.6	-67.1	0	0	0	109	E30 V31 K34 K68 D69 K121	E30-Y119 HydrophobicContact CG-CD2 3.96Å; E30-Y119 HydrophobicContact CG-CE2 4.23Å; V31-Y119 HydrophobicContact CB-CE2 4.15Å; V31-Y119 HydrophobicContact CG1-CE1 4.47Å; V31-Y119 HydrophobicContact CG2-CD1 4.29Å; V31-Y119 HydrophobicContact CG2-CD2 3.85Å; V31-Y119 HydrophobicContact CG2-CE1 4.19Å; V31-Y119 HydrophobicContact CG2-CE2 3.73Å; V31-Y119 HydrophobicContact CG2-CG 4.13Å; K34-Y119 HydrophobicContact CB-CE2 4.03Å; K34-Y119 HydrophobicContact CD-CD2 4.16Å; K34-Y119 HydrophobicContact CD-CE2 3.7Å; K34-Y119 HydrophobicContact CG-CE2 4.38Å; K68-Y119 HydrophobicContact CB-CD1 4.05Å; K68-Y119 HydrophobicContact CB-CE1 4.11Å; D69-Y119 WeakPolarHBondContact OD1-CE1 3.41Å; D69-Y119 VanDerWaalsContact OD1-CZ 3.29Å; D69-Y119 PolarHBondContact OD1-OH 3.29Å; Y119-K121 PolarHBondContact O-N 3.34Å; Y119-K121 VanDerWaalsContact O-N 3.14Å
120	E	80.1	Confident	89.6	Confident	118 Å²	118	65.8 Å²	65.8	55%	0.551	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.4	118.9	172.3	-162.8	176.8	-179.8	0	0	107.8	V122 R144	E120-V122 PolarHBondContact O-N 3.25Å; E120-V122 VanDerWaalsContact O-N 3.11Å; E120-R144 VanDerWaalsContact CG-NH2 3.28Å; E120-R144 IonicContact OE1-CZ 3.91Å; E120-R144 VanDerWaalsContact OE1-CZ 3.32Å; E120-R144 IonicContact OE1-NE 2.72Å; E120-R144 PolarHBondContact OE1-NE 3.04Å; E120-R144 VanDerWaalsContact OE1-NE 3.16Å; E120-R144 IonicContact OE1-NH2 3.27Å; E120-R144 PolarHBondContact OE1-NH2 3.43Å; E120-R144 IonicContact OE2-NE 2.68Å
121	K	74.3	Confident	89.5	Confident	176 Å²	176	67.1 Å²	67.1	77%	0.765	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-61.8	120.3	176.6	-67.9	-171.7	177.9	-173.4	0	107.7	Y119 I123 R144	Y119-K121 PolarHBondContact O-N 3.34Å; Y119-K121 VanDerWaalsContact O-N 3.14Å; K121-I123 PolarHBondContact O-N 2.64Å; K121-R144 PolarHBondContact O-NH2 3.05Å
122	V	73.6	Confident	89.4	Confident	133 Å²	133	73.5 Å²	73.5	81%	0.806	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.1	123.8	163.2	-176	0	0	0	0	105.5	E120 D124	E120-V122 PolarHBondContact O-N 3.25Å; E120-V122 VanDerWaalsContact O-N 3.11Å; V122-D124 PolarHBondContact O-N 3.06Å
123	I	82.5	Confident	89.3	Confident	30 Å²	30	72.4 Å²	72.4	15%	0.154	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-81.9	118.2	-177	-67.6	169.8	0	0	0	105.2	K121 F125 F128 I141	K121-I123 PolarHBondContact O-N 2.64Å; I123-F125 HydrophobicContact CB-CE1 4.21Å; I123-F125 HydrophobicContact CB-CE2 4.32Å; I123-F125 HydrophobicContact CB-CZ 4.06Å; I123-F125 HydrophobicContact CG2-CD1 3.78Å; I123-F125 HydrophobicContact CG2-CE1 3.71Å; I123-F125 HydrophobicContact CG2-CE2 4.47Å; I123-F125 HydrophobicContact CG2-CG 4.22Å; I123-F125 HydrophobicContact CG2-CZ 4.07Å; I123-F125 WeakPolarHBondContact O-CD2 3.3Å; I123-F125 PolarHBondContact O-N 3.29Å; I123-F125 VanDerWaalsContact O-N 3.15Å; I123-F128 HydrophobicContact CD1-CE2 4.44Å; I123-F128 HydrophobicContact CG2-CB 3.87Å; I123-F128 HydrophobicContact CG2-CD1 4.45Å; I123-F128 HydrophobicContact CG2-CD2 3.33Å; I123-F128 HydrophobicContact CG2-CE2 3.9Å; I123-F128 HydrophobicContact CG2-CG 3.64Å; I123-I141 HydrophobicContact CD1-CD1 3.78Å; I123-I141 HydrophobicContact CD1-CG1 3.4Å; I123-I141 VanDerWaalsContact CD1-CG1 3.4Å
124	D	87.6	Confident	89.3	Confident	91 Å²	91	75 Å²	75	49%	0.487	36%	0.356	S	S	.	.			trans	-75.6	99.3	168.4	-175.8	-5.6	0	0	0	108	V122 K126 E127 F128	V122-D124 PolarHBondContact O-N 3.06Å; D124-K126 PolarHBondContact O-N 2.78Å; D124-K126 VanDerWaalsContact OD1-CB 3.27Å; D124-K126 WeakPolarHBondContact OD1-CB 3.48Å; D124-K126 WeakPolarHBondContact OD1-CG 3.43Å; D124-K126 PolarHBondContact OD1-N 2.89Å; D124-E127 PolarHBondContact O-N 3.48Å; D124-F128 WeakPolarHBondContact O-CB 3.04Å; D124-F128 PolarHBondContact O-N 3.03Å
125	F	91.5	Very high	89.2	Confident	8 Å²	8	77.4 Å²	77.4	4%	0.035	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15	-176.8	-69.3	-72.5	0	0	0	113.1	I123 F128 F130 I141 W145 M166 D170 A173	I123-F125 HydrophobicContact CB-CE1 4.21Å; I123-F125 HydrophobicContact CB-CE2 4.32Å; I123-F125 HydrophobicContact CB-CZ 4.06Å; I123-F125 HydrophobicContact CG2-CD1 3.78Å; I123-F125 HydrophobicContact CG2-CE1 3.71Å; I123-F125 HydrophobicContact CG2-CE2 4.47Å; I123-F125 HydrophobicContact CG2-CG 4.22Å; I123-F125 HydrophobicContact CG2-CZ 4.07Å; I123-F125 WeakPolarHBondContact O-CD2 3.3Å; I123-F125 PolarHBondContact O-N 3.29Å; I123-F125 VanDerWaalsContact O-N 3.15Å; F125-F128 HydrophobicContact CD1-CB 4.42Å; F125-F128 HydrophobicContact CD1-CD1 4.42Å; F125-F130 HydrophobicContact CD1-CE1 4.12Å; F125-F130 AromaticContact CD1-CZ 3.98Å; F125-F130 HydrophobicContact CD1-CZ 3.98Å; F125-I141 HydrophobicContact CE1-CD1 3.76Å; F125-I141 HydrophobicContact CE1-CG1 3.99Å; F125-I141 HydrophobicContact CE1-CG2 3.87Å; F125-I141 HydrophobicContact CZ-CD1 4.38Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å; F125-I141 HydrophobicContact CZ-CG2 3.72Å; F125-W145 HydrophobicContact CD2-CZ2 4.4Å; F125-W145 HydrophobicContact CE1-CZ2 4.08Å; F125-W145 AromaticContact CE2-CZ2 3.68Å; F125-W145 HydrophobicContact CE2-CZ2 3.68Å; F125-W145 HydrophobicContact CZ-CH2 4.39Å; F125-W145 AromaticContact CZ-CZ2 3.49Å; F125-W145 HydrophobicContact CZ-CZ2 3.49Å; F125-W145 VanDerWaalsContact CZ-CZ2 3.49Å; F125-M166 HydrophobicContact CB-CE 3.99Å; F125-M166 HydrophobicContact CB-SD 3.85Å; F125-M166 HydrophobicContact CD1-CE 3.76Å; F125-M166 HydrophobicContact CD1-SD 4.17Å; F125-M166 HydrophobicContact CD2-SD 4.1Å; F125-M166 HydrophobicContact CE1-CE 4.42Å; F125-M166 HydrophobicContact CG-CE 3.92Å; F125-M166 HydrophobicContact CG-SD 3.78Å; F125-D170 HydrophobicContact CD2-CB 4.08Å; F125-D170 WeakPolarHBondContact CD2-OD2 3.44Å; F125-A173 HydrophobicContact CB-CB 3.6Å
126	K	89.7	Confident	89	Confident	51 Å²	51	84.2 Å²	84.2	22%	0.222	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.7	175.8	-59.2	175.1	-177.1	171.4	0	112.4	D124 E172 A173 Y176	D124-K126 PolarHBondContact O-N 2.78Å; D124-K126 VanDerWaalsContact OD1-CB 3.27Å; D124-K126 WeakPolarHBondContact OD1-CB 3.48Å; D124-K126 WeakPolarHBondContact OD1-CG 3.43Å; D124-K126 PolarHBondContact OD1-N 2.89Å; K126-E172 VanDerWaalsContact NZ-CD 3.26Å; K126-E172 IonicContact NZ-OE1 3.01Å; K126-E172 PolarHBondContact NZ-OE1 2.58Å; K126-E172 IonicContact NZ-OE2 2.71Å; K126-A173 HydrophobicContact CG-CB 4.01Å; K126-Y176 HydrophobicContact CB-CD1 3.69Å; K126-Y176 HydrophobicContact CB-CE1 3.9Å; K126-Y176 HydrophobicContact CB-CG 4.28Å; K126-Y176 HydrophobicContact CD-CD1 4.44Å; K126-Y176 HydrophobicContact CD-CD2 4.48Å; K126-Y176 HydrophobicContact CD-CG 4.19Å; K126-Y176 HydrophobicContact CG-CD1 3.84Å; K126-Y176 HydrophobicContact CG-CE1 4.49Å; K126-Y176 HydrophobicContact CG-CG 3.96Å
127	E	88.5	Confident	88.8	Confident	138 Å²	138	83.2 Å²	83.2	65%	0.645	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.4	179.5	-63.8	-61.2	132.1	0	0	112.5	D124 N129	D124-E127 PolarHBondContact O-N 3.48Å; E127-N129 PolarHBondContact O-N 3.19Å
128	F	90.1	Very high	88.8	Confident	38 Å²	38	82.8 Å²	82.8	17%	0.167	39%	0.391	C	S	.	.			trans	-74.9	116.4	-176.4	-173.7	-102.3	0	0	0	112.1	I123 D124 F125 F130 S133 L138 I141	I123-F128 HydrophobicContact CD1-CE2 4.44Å; I123-F128 HydrophobicContact CG2-CB 3.87Å; I123-F128 HydrophobicContact CG2-CD1 4.45Å; I123-F128 HydrophobicContact CG2-CD2 3.33Å; I123-F128 HydrophobicContact CG2-CE2 3.9Å; I123-F128 HydrophobicContact CG2-CG 3.64Å; D124-F128 WeakPolarHBondContact O-CB 3.04Å; D124-F128 PolarHBondContact O-N 3.03Å; F125-F128 HydrophobicContact CD1-CB 4.42Å; F125-F128 HydrophobicContact CD1-CD1 4.42Å; F128-F130 AromaticContact CD1-CD1 3.53Å; F128-F130 HydrophobicContact CD1-CD1 3.53Å; F128-F130 HydrophobicContact CD1-CD2 4.22Å; F128-F130 AromaticContact CD1-CE1 3.47Å; F128-F130 HydrophobicContact CD1-CE1 3.47Å; F128-F130 VanDerWaalsContact CD1-CE1 3.47Å; F128-F130 HydrophobicContact CD1-CE2 4.18Å; F128-F130 AromaticContact CD1-CG 3.89Å; F128-F130 HydrophobicContact CD1-CG 3.89Å; F128-F130 AromaticContact CD1-CZ 3.8Å; F128-F130 HydrophobicContact CD1-CZ 3.8Å; F128-F130 AromaticContact CE1-CD1 3.57Å; F128-F130 HydrophobicContact CE1-CD1 3.57Å; F128-F130 AromaticContact CE1-CE1 3.81Å; F128-F130 HydrophobicContact CE1-CE1 3.81Å; F128-F130 HydrophobicContact CE1-CG 4.14Å; F128-F130 WeakPolarHBondContact O-CD2 3.33Å; F128-F130 WeakPolarHBondContact O-CE2 3.16Å; F128-F130 PolarHBondContact O-N 2.87Å; F128-S133 WeakPolarHBondContact CE2-OG 3.46Å; F128-S133 WeakPolarHBondContact CZ-OG 3.37Å; F128-L138 HydrophobicContact CE1-CD2 3.99Å; F128-L138 HydrophobicContact CZ-CD2 4.29Å; F128-I141 HydrophobicContact CE1-CD1 3.74Å; F128-I141 HydrophobicContact CE2-CD1 4.41Å; F128-I141 HydrophobicContact CZ-CD1 3.64Å
129	N	92.7	Very high	88.8	Confident	73 Å²	73	83.4 Å²	83.4	39%	0.39	40%	0.396	S	S	.	.			trans	-84.8	95.7	176.5	-165.8	-48.7	0	0	0	111.4	E127 E131 K132 S133	E127-N129 PolarHBondContact O-N 3.19Å; N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 2.88Å; N129-E131 PolarHBondContact OD1-N 3.48Å; N129-K132 HydrophobicContact CB-CB 4.16Å; N129-K132 PolarHBondContact O-N 3.25Å; N129-K132 WeakPolarHBondContact OD1-CG 3.33Å; N129-K132 PolarHBondContact OD1-N 2.95Å; N129-S133 WeakPolarHBondContact O-CB 3.38Å; N129-S133 PolarHBondContact O-N 3.41Å; N129-S133 PolarHBondContact O-OG 3.07Å
130	F	92.2	Very high	88.8	Confident	12 Å²	12	84.7 Å²	84.7	5%	0.053	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41.7	178.5	-59.6	-83.8	0	0	0	112.7	F125 F128 K132 S133 L138 I159 I162 M166 L177	F125-F130 HydrophobicContact CD1-CE1 4.12Å; F125-F130 AromaticContact CD1-CZ 3.98Å; F125-F130 HydrophobicContact CD1-CZ 3.98Å; F128-F130 AromaticContact CD1-CD1 3.53Å; F128-F130 HydrophobicContact CD1-CD1 3.53Å; F128-F130 HydrophobicContact CD1-CD2 4.22Å; F128-F130 AromaticContact CD1-CE1 3.47Å; F128-F130 HydrophobicContact CD1-CE1 3.47Å; F128-F130 VanDerWaalsContact CD1-CE1 3.47Å; F128-F130 HydrophobicContact CD1-CE2 4.18Å; F128-F130 AromaticContact CD1-CG 3.89Å; F128-F130 HydrophobicContact CD1-CG 3.89Å; F128-F130 AromaticContact CD1-CZ 3.8Å; F128-F130 HydrophobicContact CD1-CZ 3.8Å; F128-F130 AromaticContact CE1-CD1 3.57Å; F128-F130 HydrophobicContact CE1-CD1 3.57Å; F128-F130 AromaticContact CE1-CE1 3.81Å; F128-F130 HydrophobicContact CE1-CE1 3.81Å; F128-F130 HydrophobicContact CE1-CG 4.14Å; F128-F130 WeakPolarHBondContact O-CD2 3.33Å; F128-F130 WeakPolarHBondContact O-CE2 3.16Å; F128-F130 PolarHBondContact O-N 2.87Å; F130-K132 PolarHBondContact O-N 3.45Å; F130-S133 PolarHBondContact O-N 2.89Å; F130-L138 HydrophobicContact CD1-CD2 4.37Å; F130-I159 HydrophobicContact CB-CD1 4.13Å; F130-I159 HydrophobicContact CB-CG1 4.13Å; F130-I159 HydrophobicContact CB-CG2 3.83Å; F130-I159 HydrophobicContact CG-CG2 4.31Å; F130-I159 WeakPolarHBondContact O-CD1 3.44Å; F130-I162 HydrophobicContact CD1-CG2 4.28Å; F130-I162 HydrophobicContact CE1-CG2 3.62Å; F130-M166 HydrophobicContact CE1-CE 3.96Å; F130-M166 HydrophobicContact CZ-CE 3.47Å; F130-M166 VanDerWaalsContact CZ-CE 3.47Å; F130-L177 HydrophobicContact CE2-CD1 4.03Å; F130-L177 HydrophobicContact CZ-CD1 4.32Å
131	E	92.3	Very high	89.4	Confident	115 Å²	115	79.1 Å²	79.1	54%	0.537	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-31.3	-176.9	-62.8	-54.9	141.1	0	0	113.1	N129 K155 I159	N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 2.88Å; N129-E131 PolarHBondContact OD1-N 3.48Å; E131-K155 PolarHBondContact O-NZ 2.89Å; E131-I159 WeakPolarHBondContact OE1-CD1 3.49Å
132	K	93.2	Very high	90.3	Very high	175 Å²	175	71.1 Å²	71.1	76%	0.761	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.2	177.4	-68	-177.9	-177.4	177.1	0	113.4	N129 F130	N129-K132 HydrophobicContact CB-CB 4.16Å; N129-K132 PolarHBondContact O-N 3.25Å; N129-K132 WeakPolarHBondContact OD1-CG 3.33Å; N129-K132 PolarHBondContact OD1-N 2.95Å; F130-K132 PolarHBondContact O-N 3.45Å
133	S	91.4	Very high	91.1	Very high	18 Å²	18	71.9 Å²	71.9	13%	0.126	34%	0.337	C	S	.	.	S	Bend	trans	-70.3	148.8	-177.2	-67.4	0	0	0	0	112.6	F128 N129 F130 K155	F128-S133 WeakPolarHBondContact CE2-OG 3.46Å; F128-S133 WeakPolarHBondContact CZ-OG 3.37Å; N129-S133 WeakPolarHBondContact O-CB 3.38Å; N129-S133 PolarHBondContact O-N 3.41Å; N129-S133 PolarHBondContact O-OG 3.07Å; F130-S133 PolarHBondContact O-N 2.89Å; S133-K155 WeakPolarHBondContact O-CE 3.45Å; S133-K155 PolarHBondContact O-NZ 2.88Å
134	K	93.7	Very high	91.4	Very high	155 Å²	155	74.7 Å²	74.7	67%	0.674	35%	0.346	S	S	*	.			trans	-75.4	149.9	177.7	-65.4	179	-179.6	177.6	0	109.9	K136 D137 L138	K134-K136 PolarHBondContact O-N 3.41Å; K134-K136 VanDerWaalsContact O-N 3.09Å; K134-D137 PolarHBondContact O-N 2.05Å; K134-L138 PolarHBondContact O-N 3.48Å
135	V	93.9	Very high	91.6	Very high	49 Å²	49	71.7 Å²	71.7	30%	0.297	33%	0.328	S	S	.	.	H	α-helix	trans	-53.5	-34.4	175.2	174.4	0	0	0	0	111.7	D137 L138 K139 K155 Y158	V135-D137 VanDerWaalsContact C-N 3.33Å; V135-D137 PolarHBondContact O-N 3.38Å; V135-L138 PolarHBondContact O-N 3.28Å; V135-K139 HydrophobicContact CG1-CD 4.25Å; V135-K139 HydrophobicContact CG1-CG 4.39Å; V135-K139 WeakPolarHBondContact O-CG 3.43Å; V135-K139 PolarHBondContact O-N 3.14Å; V135-K155 HydrophobicContact CG2-CB 3.99Å; V135-K155 HydrophobicContact CG2-CD 4.36Å; V135-K155 HydrophobicContact CG2-CG 3.92Å; V135-Y158 HydrophobicContact CG1-CD2 4.08Å; V135-Y158 HydrophobicContact CG1-CE2 3.95Å
136	K	90.6	Very high	91.7	Very high	151 Å²	151	74.5 Å²	74.5	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-59.9	-39.2	175.1	-174.6	176.9	-179.3	176.3	0	113.1	K134 K140	K134-K136 PolarHBondContact O-N 3.41Å; K134-K136 VanDerWaalsContact O-N 3.09Å; K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.02Å
137	D	90.9	Very high	91.8	Very high	58 Å²	58	73.9 Å²	73.9	31%	0.31	36%	0.358	S	S	.	.	H	α-helix	trans	-76.2	-36	-179.5	-58.8	-44.8	0	0	0	111	K134 V135 K140 I141	K134-D137 PolarHBondContact O-N 2.05Å; V135-D137 VanDerWaalsContact C-N 3.33Å; V135-D137 PolarHBondContact O-N 3.38Å; D137-K140 WeakPolarHBondContact O-CB 3.18Å; D137-K140 PolarHBondContact O-N 3.11Å; D137-K140 IonicContact OD1-NZ 2.74Å; D137-I141 PolarHBondContact O-N 3.48Å
138	L	94	Very high	91.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-44.2	171.1	-58.6	176.2	0	0	0	111.7	F128 F130 K134 V135 K140 I141 I142 K155 I159 I162	F128-L138 HydrophobicContact CE1-CD2 3.99Å; F128-L138 HydrophobicContact CZ-CD2 4.29Å; F130-L138 HydrophobicContact CD1-CD2 4.37Å; K134-L138 PolarHBondContact O-N 3.48Å; V135-L138 PolarHBondContact O-N 3.28Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.94Å; L138-I141 HydrophobicContact CD2-CD1 4.47Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 PolarHBondContact O-N 2.9Å; L138-I141 VanDerWaalsContact O-N 3.14Å; L138-I142 PolarHBondContact O-N 3.47Å; L138-I142 VanDerWaalsContact O-N 3.12Å; L138-K155 HydrophobicContact CD1-CG 4.02Å; L138-I159 HydrophobicContact CD1-CD1 4.33Å; L138-I159 HydrophobicContact CD1-CG1 3.62Å; L138-I159 HydrophobicContact CD2-CG1 4.31Å; L138-I162 HydrophobicContact CB-CD1 3.83Å; L138-I162 HydrophobicContact CD2-CD1 3.75Å; L138-I162 HydrophobicContact CG-CD1 4.36Å
139	K	92.4	Very high	91.9	Very high	100 Å²	100	74.1 Å²	74.1	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-37.6	176.2	-75.3	-179.2	176.1	-171.3	0	112.7	V135 I142 E143 Y158	V135-K139 HydrophobicContact CG1-CD 4.25Å; V135-K139 HydrophobicContact CG1-CG 4.39Å; V135-K139 WeakPolarHBondContact O-CG 3.43Å; V135-K139 PolarHBondContact O-N 3.14Å; K139-I142 PolarHBondContact O-N 2.74Å; K139-E143 WeakPolarHBondContact O-CB 3.38Å; K139-E143 PolarHBondContact O-N 2.71Å; K139-Y158 HydrophobicContact CD-CE1 4.19Å; K139-Y158 WeakPolarHBondContact CE-OH 3.49Å; K139-Y158 HydrophobicContact CG-CD1 3.98Å; K139-Y158 HydrophobicContact CG-CE1 3.77Å; K139-Y158 PolarHBondContact NZ-OH 3.18Å
140	K	90.5	Very high	91.6	Very high	90 Å²	90	81.1 Å²	81.1	39%	0.391	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-36.9	175.1	-71.6	175	179.4	175.5	0	112.7	K136 D137 L138 R144	K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.02Å; D137-K140 WeakPolarHBondContact O-CB 3.18Å; D137-K140 PolarHBondContact O-N 3.11Å; D137-K140 IonicContact OD1-NZ 2.74Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.94Å; K140-R144 WeakPolarHBondContact O-CB 3.24Å; K140-R144 PolarHBondContact O-N 3.4Å
141	I	91.8	Very high	91.4	Very high	1 Å²	1	84 Å²	84	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-61.4	-49.2	173.8	-67.3	156.7	0	0	0	110	I123 F125 F128 D137 L138 E143 R144 W145 I162	I123-I141 HydrophobicContact CD1-CD1 3.78Å; I123-I141 HydrophobicContact CD1-CG1 3.4Å; I123-I141 VanDerWaalsContact CD1-CG1 3.4Å; F125-I141 HydrophobicContact CE1-CD1 3.76Å; F125-I141 HydrophobicContact CE1-CG1 3.99Å; F125-I141 HydrophobicContact CE1-CG2 3.87Å; F125-I141 HydrophobicContact CZ-CD1 4.38Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å; F125-I141 HydrophobicContact CZ-CG2 3.72Å; F128-I141 HydrophobicContact CE1-CD1 3.74Å; F128-I141 HydrophobicContact CE2-CD1 4.41Å; F128-I141 HydrophobicContact CZ-CD1 3.64Å; D137-I141 PolarHBondContact O-N 3.48Å; L138-I141 HydrophobicContact CD2-CD1 4.47Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 PolarHBondContact O-N 2.9Å; L138-I141 VanDerWaalsContact O-N 3.14Å; I141-E143 PolarHBondContact O-N 2.75Å; I141-R144 PolarHBondContact O-N 3.27Å; I141-W145 HydrophobicContact CG2-CD2 3.89Å; I141-W145 HydrophobicContact CG2-CE3 4.15Å; I141-W145 HydrophobicContact CG2-CH2 4.15Å; I141-W145 HydrophobicContact CG2-CZ2 3.85Å; I141-W145 HydrophobicContact CG2-CZ3 4.29Å; I141-W145 WeakPolarHBondContact O-CB 3.42Å; I141-W145 PolarHBondContact O-N 3.12Å; I141-I162 HydrophobicContact CB-CD1 4.05Å; I141-I162 HydrophobicContact CB-CG1 4.42Å; I141-I162 HydrophobicContact CD1-CD1 4.11Å; I141-I162 HydrophobicContact CG2-CD1 4.08Å; I141-I162 HydrophobicContact CG2-CG1 3.98Å; I141-I162 HydrophobicContact CG2-CG2 3.96Å
142	I	93.4	Very high	91.3	Very high	8 Å²	8	79.7 Å²	79.7	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-58.7	-47.7	179.4	-70	163.4	0	0	0	110.8	L138 K139 W145 G146 L147 Y158 L161 I162	L138-I142 PolarHBondContact O-N 3.47Å; L138-I142 VanDerWaalsContact O-N 3.12Å; K139-I142 PolarHBondContact O-N 2.74Å; I142-W145 CarbonylContact O-C 3.6Å; I142-W145 PolarHBondContact O-N 3.43Å; I142-G146 PolarHBondContact O-N 3.11Å; I142-L147 HydrophobicContact CG2-CB 3.85Å; I142-L147 VanDerWaalsContact CG2-O 3.22Å; I142-L147 WeakPolarHBondContact CG2-O 3.31Å; I142-L147 PolarHBondContact O-N 3.35Å; I142-Y158 HydrophobicContact CD1-CD1 3.7Å; I142-Y158 HydrophobicContact CD1-CG 4.4Å; I142-L161 HydrophobicContact CD1-CD2 4.02Å; I142-L161 HydrophobicContact CG1-CD2 4.13Å; I142-L161 HydrophobicContact CG2-CD2 4.12Å; I142-I162 HydrophobicContact CD1-CD1 4.26Å; I142-I162 HydrophobicContact CD1-CG1 4.14Å; I142-I162 HydrophobicContact CG1-CD1 4.11Å; I142-I162 HydrophobicContact CG1-CG1 3.7Å
143	E	91	Very high	91.2	Very high	148 Å²	148	77.2 Å²	77.2	69%	0.692	40%	0.399	S	S	*	.	H	α-helix	trans	-62.4	-44.6	176.7	-176.2	180	-172.5	0	0	111.9	K139 I141 W145 G146	K139-E143 WeakPolarHBondContact O-CB 3.38Å; K139-E143 PolarHBondContact O-N 2.71Å; I141-E143 PolarHBondContact O-N 2.75Å; E143-W145 PolarHBondContact O-N 2.87Å; E143-G146 PolarHBondContact O-N 2.92Å
144	R	88.2	Confident	91.3	Very high	90 Å²	90	82.3 Å²	82.3	34%	0.34	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-34.6	176.3	-173	-169.6	-63.2	174.1	1.5	112	E120 K121 K140 I141 G146	E120-R144 VanDerWaalsContact CG-NH2 3.28Å; E120-R144 IonicContact OE1-CZ 3.91Å; E120-R144 VanDerWaalsContact OE1-CZ 3.32Å; E120-R144 IonicContact OE1-NE 2.72Å; E120-R144 PolarHBondContact OE1-NE 3.04Å; E120-R144 VanDerWaalsContact OE1-NE 3.16Å; E120-R144 IonicContact OE1-NH2 3.27Å; E120-R144 PolarHBondContact OE1-NH2 3.43Å; E120-R144 IonicContact OE2-NE 2.68Å; K121-R144 PolarHBondContact O-NH2 3.05Å; K140-R144 WeakPolarHBondContact O-CB 3.24Å; K140-R144 PolarHBondContact O-N 3.4Å; I141-R144 PolarHBondContact O-N 3.27Å; R144-G146 VanDerWaalsContact C-N 3.25Å
145	W	92.5	Very high	91.3	Very high	28 Å²	28	78.1 Å²	78.1	11%	0.106	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.9	175.9	-68.2	-5	0	0	0	113.6	F125 I141 I142 E143 L147 I162 N165 M166 H169	F125-W145 HydrophobicContact CD2-CZ2 4.4Å; F125-W145 HydrophobicContact CE1-CZ2 4.08Å; F125-W145 AromaticContact CE2-CZ2 3.68Å; F125-W145 HydrophobicContact CE2-CZ2 3.68Å; F125-W145 HydrophobicContact CZ-CH2 4.39Å; F125-W145 AromaticContact CZ-CZ2 3.49Å; F125-W145 HydrophobicContact CZ-CZ2 3.49Å; F125-W145 VanDerWaalsContact CZ-CZ2 3.49Å; I141-W145 HydrophobicContact CG2-CD2 3.89Å; I141-W145 HydrophobicContact CG2-CE3 4.15Å; I141-W145 HydrophobicContact CG2-CH2 4.15Å; I141-W145 HydrophobicContact CG2-CZ2 3.85Å; I141-W145 HydrophobicContact CG2-CZ3 4.29Å; I141-W145 WeakPolarHBondContact O-CB 3.42Å; I141-W145 PolarHBondContact O-N 3.12Å; I142-W145 CarbonylContact O-C 3.6Å; I142-W145 PolarHBondContact O-N 3.43Å; E143-W145 PolarHBondContact O-N 2.87Å; W145-L147 HydrophobicContact CB-CD1 4.07Å; W145-L147 HydrophobicContact CB-CG 3.96Å; W145-L147 HydrophobicContact CE3-CD1 3.83Å; W145-L147 PolarHBondContact O-N 3.44Å; W145-I162 HydrophobicContact CH2-CG2 3.6Å; W145-I162 HydrophobicContact CZ2-CG2 4.49Å; W145-I162 HydrophobicContact CZ3-CB 4.22Å; W145-I162 HydrophobicContact CZ3-CG2 3.75Å; W145-I162 WeakPolarHBondContact CZ3-O 3.43Å; W145-N165 HydrophobicContact CE3-CB 4.08Å; W145-N165 HydrophobicContact CZ3-CB 3.88Å; W145-M166 HydrophobicContact CH2-CE 4.03Å; W145-M166 HydrophobicContact CH2-SD 3.76Å; W145-M166 HydrophobicContact CZ2-SD 4.07Å; W145-H169 AromaticContact CD1-CG 3.86Å; W145-H169 AromaticContact CD1-ND1 3.85Å; W145-H169 HydrophobicContact CD2-CB 3.61Å; W145-H169 AromaticContact CD2-CD2 3.75Å; W145-H169 AromaticContact CD2-CG 3.56Å; W145-H169 AromaticContact CE2-CG 3.9Å; W145-H169 HydrophobicContact CE3-CB 4.14Å; W145-H169 AromaticContact CE3-CD2 3.67Å; W145-H169 AromaticContact CE3-CG 3.96Å; W145-H169 HydrophobicContact CG-CB 3.92Å; W145-H169 AromaticContact CG-CD2 3.95Å; W145-H169 AromaticContact CG-CG 3.57Å; W145-H169 AromaticContact CG-ND1 3.65Å; W145-H169 HydrophobicContact CH2-CB 4.23Å; W145-H169 HydrophobicContact CZ2-CB 3.73Å; W145-H169 HydrophobicContact CZ3-CB 4.41Å; W145-H169 PolarHBondContact O-CE1 3.39Å; W145-H169 VanDerWaalsContact O-CE1 3.3Å
146	G	91.8	Very high	91.4	Very high	67 Å²	67	84.9 Å²	84.9	69%	0.691	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	26.3	-177.7	0	0	0	0	0	113	I142 E143 R144	I142-G146 PolarHBondContact O-N 3.11Å; E143-G146 PolarHBondContact O-N 2.92Å; R144-G146 VanDerWaalsContact C-N 3.25Å
147	L	93.2	Very high	91.6	Very high	38 Å²	38	80.3 Å²	80.3	20%	0.199	41%	0.405	C	S	.	.			trans	-96.1	154.1	179.3	-61.5	178.7	0	0	0	110.6	I142 W145 N165	I142-L147 HydrophobicContact CG2-CB 3.85Å; I142-L147 VanDerWaalsContact CG2-O 3.22Å; I142-L147 WeakPolarHBondContact CG2-O 3.31Å; I142-L147 PolarHBondContact O-N 3.35Å; W145-L147 HydrophobicContact CB-CD1 4.07Å; W145-L147 HydrophobicContact CB-CG 3.96Å; W145-L147 HydrophobicContact CE3-CD1 3.83Å; W145-L147 PolarHBondContact O-N 3.44Å; L147-N165 HydrophobicContact CD1-CB 3.76Å
148	E	90.3	Very high	91.9	Very high	147 Å²	147	78.8 Å²	78.8	69%	0.687	40%	0.395	S	S	*	.			trans	-118.1	135.1	171.5	-65	-172.7	104.3	0	0	109.9	R150	E148-R150 PolarHBondContact O-N 3.28Å; E148-R150 IonicContact OE2-NH2 3.95Å
149	C	89.1	Confident	92	Very high	34 Å²	34	79.1 Å²	79.1	23%	0.23	40%	0.397	C	S	.	.			trans	-96.5	90.2	178.3	-143.3	0	0	0	0	109.4	G151 C152 Y158 L161	C149-G151 PolarHBondContact O-N 2.9Å; C149-C152 VanDerWaalsContact CA-SG 3.55Å; C149-C152 HydrophobicContact CB-CB 3.75Å; C149-C152 WeakPolarHBondContact CB-SG 3.39Å; C149-C152 WeakPolarHBondContact SG-CB 3.46Å; C149-C152 CovalentContact SG-SG 2Å; C149-C152 PolarHBondContact SG-SG 3.24Å; C149-Y158 HydrophobicContact CB-CD1 4.32Å; C149-Y158 HydrophobicContact CB-CE1 4.15Å; C149-L161 HydrophobicContact CB-CD2 3.87Å; C149-L161 VanDerWaalsContact SG-CD2 3.52Å
150	R	87.5	Confident	92.1	Very high	219 Å²	219	77.6 Å²	77.6	83%	0.826	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	115.7	179.5	-64.9	-176.9	-176.7	177.3	1.8	110.1	E148	E148-R150 PolarHBondContact O-N 3.28Å; E148-R150 IonicContact OE2-NH2 3.95Å
151	G	86.9	Confident	92.4	Very high	72 Å²	72	75.3 Å²	75.3	74%	0.742	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	10.1	176.5	0	0	0	0	0	115.6	C149 T153	C149-G151 PolarHBondContact O-N 2.9Å; G151-T153 PolarHBondContact O-N 2.96Å; G151-T153 VanDerWaalsContact O-N 3.12Å
152	C	90.8	Very high	92.5	Very high	25 Å²	25	75.3 Å²	75.3	17%	0.169	39%	0.391	C	S	.	.			trans	-72.8	104.9	-179.9	-57	0	0	0	0	111.6	C149 D157 Y158	C149-C152 VanDerWaalsContact CA-SG 3.55Å; C149-C152 HydrophobicContact CB-CB 3.75Å; C149-C152 WeakPolarHBondContact CB-SG 3.39Å; C149-C152 WeakPolarHBondContact SG-CB 3.46Å; C149-C152 CovalentContact SG-SG 2Å; C149-C152 PolarHBondContact SG-SG 3.24Å; C152-D157 HydrophobicContact CB-CB 3.73Å; C152-Y158 HydrophobicContact CB-CD1 4.29Å; C152-Y158 HydrophobicContact CB-CD2 4.44Å; C152-Y158 HydrophobicContact CB-CE1 3.85Å; C152-Y158 HydrophobicContact CB-CE2 3.99Å; C152-Y158 PolarHBondContact O-OH 3.37Å
153	T	90.4	Very high	92.6	Very high	124 Å²	124	77.1 Å²	77.1	76%	0.761	40%	0.399	S	S	*	.			trans	-100.1	-31.9	-179.7	47.9	0	0	0	0	112.2	G151 D157	G151-T153 PolarHBondContact O-N 2.96Å; G151-T153 VanDerWaalsContact O-N 3.12Å; T153-D157 PolarHBondContact N-OD2 3.47Å
154	E	94.2	Very high	92.7	Very high	124 Å²	124	74.4 Å²	74.4	58%	0.579	40%	0.396	S	S	*	.	S	Bend	trans	-111.1	155.9	-173.7	-61.2	-164.3	88	0	0	111.8	R156 D157 Y158	E154-R156 PolarHBondContact O-N 3.45Å; E154-D157 PolarHBondContact N-OD2 3.3Å; E154-D157 WeakPolarHBondContact O-CB 3.45Å; E154-D157 PolarHBondContact O-N 2.91Å; E154-D157 VanDerWaalsContact O-N 3.09Å; E154-Y158 WeakPolarHBondContact O-CD2 3.32Å; E154-Y158 WeakPolarHBondContact O-CE2 3.49Å
155	K	94.6	Very high	93.1	Very high	68 Å²	68	71.9 Å²	71.9	30%	0.296	39%	0.389	S	S	.	.	H	α-helix	trans	-54.6	-37.7	178.2	-176.2	177.5	-176.4	177.8	0	112.4	E131 S133 V135 L138 D157 Y158 I159	E131-K155 PolarHBondContact O-NZ 2.89Å; S133-K155 WeakPolarHBondContact O-CE 3.45Å; S133-K155 PolarHBondContact O-NZ 2.88Å; V135-K155 HydrophobicContact CG2-CB 3.99Å; V135-K155 HydrophobicContact CG2-CD 4.36Å; V135-K155 HydrophobicContact CG2-CG 3.92Å; L138-K155 HydrophobicContact CD1-CG 4.02Å; K155-D157 VanDerWaalsContact C-N 3.28Å; K155-D157 PolarHBondContact O-N 2.97Å; K155-Y158 PolarHBondContact O-N 3.09Å; K155-I159 HydrophobicContact CG-CD1 4.11Å; K155-I159 WeakPolarHBondContact O-CG1 3.24Å; K155-I159 PolarHBondContact O-N 3.01Å
156	R	95	Very high	93.2	Very high	190 Å²	190	70.5 Å²	70.5	72%	0.717	38%	0.384	S	S	*	.	H	α-helix	trans	-62.2	-34.4	-179.4	-68.3	-178.8	-177.8	167.9	1.4	112.4	E154 Y158 I159 S160	E154-R156 PolarHBondContact O-N 3.45Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.91Å; R156-I159 PolarHBondContact O-N 3.46Å; R156-S160 WeakPolarHBondContact O-CB 3.45Å; R156-S160 PolarHBondContact O-N 2.88Å
157	D	95.8	Very high	93.3	Very high	55 Å²	55	72 Å²	72	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-44.4	178	-53.5	-31.1	0	0	0	110.9	C152 T153 E154 K155 S160 L161	C152-D157 HydrophobicContact CB-CB 3.73Å; T153-D157 PolarHBondContact N-OD2 3.47Å; E154-D157 PolarHBondContact N-OD2 3.3Å; E154-D157 WeakPolarHBondContact O-CB 3.45Å; E154-D157 PolarHBondContact O-N 2.91Å; E154-D157 VanDerWaalsContact O-N 3.09Å; K155-D157 VanDerWaalsContact C-N 3.28Å; K155-D157 PolarHBondContact O-N 2.97Å; D157-S160 PolarHBondContact O-N 3.3Å; D157-L161 PolarHBondContact O-N 3.22Å
158	Y	96.7	Very high	93.3	Very high	26 Å²	26	77.7 Å²	77.7	10%	0.102	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177.1	-59.5	-84.3	0	0	0	111.9	V135 K139 I142 C149 C152 E154 K155 R156 L161 I162	V135-Y158 HydrophobicContact CG1-CD2 4.08Å; V135-Y158 HydrophobicContact CG1-CE2 3.95Å; K139-Y158 HydrophobicContact CD-CE1 4.19Å; K139-Y158 WeakPolarHBondContact CE-OH 3.49Å; K139-Y158 HydrophobicContact CG-CD1 3.98Å; K139-Y158 HydrophobicContact CG-CE1 3.77Å; K139-Y158 PolarHBondContact NZ-OH 3.18Å; I142-Y158 HydrophobicContact CD1-CD1 3.7Å; I142-Y158 HydrophobicContact CD1-CG 4.4Å; C149-Y158 HydrophobicContact CB-CD1 4.32Å; C149-Y158 HydrophobicContact CB-CE1 4.15Å; C152-Y158 HydrophobicContact CB-CD1 4.29Å; C152-Y158 HydrophobicContact CB-CD2 4.44Å; C152-Y158 HydrophobicContact CB-CE1 3.85Å; C152-Y158 HydrophobicContact CB-CE2 3.99Å; C152-Y158 PolarHBondContact O-OH 3.37Å; E154-Y158 WeakPolarHBondContact O-CD2 3.32Å; E154-Y158 WeakPolarHBondContact O-CE2 3.49Å; K155-Y158 PolarHBondContact O-N 3.09Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.91Å; Y158-L161 PolarHBondContact O-N 3.48Å; Y158-I162 WeakPolarHBondContact O-CD1 3.48Å; Y158-I162 VanDerWaalsContact O-CG1 3.26Å; Y158-I162 WeakPolarHBondContact O-CG1 3.39Å; Y158-I162 PolarHBondContact O-N 2.96Å; Y158-I162 VanDerWaalsContact O-N 3.15Å
159	I	95.8	Very high	93.4	Very high	7 Å²	7	73.5 Å²	73.5	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-46.3	177.8	-64.6	175.6	0	0	0	110.1	F130 E131 L138 K155 R156 L161 I162 K163	F130-I159 HydrophobicContact CB-CD1 4.13Å; F130-I159 HydrophobicContact CB-CG1 4.13Å; F130-I159 HydrophobicContact CB-CG2 3.83Å; F130-I159 HydrophobicContact CG-CG2 4.31Å; F130-I159 WeakPolarHBondContact O-CD1 3.44Å; E131-I159 WeakPolarHBondContact OE1-CD1 3.49Å; L138-I159 HydrophobicContact CD1-CD1 4.33Å; L138-I159 HydrophobicContact CD1-CG1 3.62Å; L138-I159 HydrophobicContact CD2-CG1 4.31Å; K155-I159 HydrophobicContact CG-CD1 4.11Å; K155-I159 WeakPolarHBondContact O-CG1 3.24Å; K155-I159 PolarHBondContact O-N 3.01Å; R156-I159 PolarHBondContact O-N 3.46Å; I159-L161 PolarHBondContact O-N 3.44Å; I159-I162 PolarHBondContact O-N 2.91Å; I159-K163 HydrophobicContact CG2-CD 4.12Å; I159-K163 HydrophobicContact CG2-CG 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.32Å; I159-K163 PolarHBondContact O-N 3.42Å
160	S	94.7	Very high	93.5	Very high	69 Å²	69	73.7 Å²	73.7	48%	0.483	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-45.4	179.2	-178.5	0	0	0	0	111.3	R156 D157 I162 K163 S164	R156-S160 WeakPolarHBondContact O-CB 3.45Å; R156-S160 PolarHBondContact O-N 2.88Å; D157-S160 PolarHBondContact O-N 3.3Å; S160-I162 VanDerWaalsContact C-N 3.32Å; S160-I162 PolarHBondContact O-N 3.24Å; S160-K163 PolarHBondContact O-N 3.34Å; S160-S164 WeakPolarHBondContact O-CB 3.47Å; S160-S164 PolarHBondContact O-N 2.67Å; S160-S164 PolarHBondContact O-OG 2.97Å; S160-S164 VanDerWaalsContact O-OG 3.05Å
161	L	95.7	Very high	93.7	Very high	42 Å²	42	67.3 Å²	67.3	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-42.9	177.1	-178	63.9	0	0	0	112.1	I142 C149 D157 Y158 I159 N165	I142-L161 HydrophobicContact CD1-CD2 4.02Å; I142-L161 HydrophobicContact CG1-CD2 4.13Å; I142-L161 HydrophobicContact CG2-CD2 4.12Å; C149-L161 HydrophobicContact CB-CD2 3.87Å; C149-L161 VanDerWaalsContact SG-CD2 3.52Å; D157-L161 PolarHBondContact O-N 3.22Å; Y158-L161 PolarHBondContact O-N 3.48Å; I159-L161 PolarHBondContact O-N 3.44Å; L161-N165 WeakPolarHBondContact CD1-ND2 3.38Å; L161-N165 PolarHBondContact O-N 3.49Å; L161-N165 PolarHBondContact O-ND2 3.43Å
162	I	95.4	Very high	93.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-48.7	178.3	-66.6	163.8	0	0	0	110.4	F130 L138 I141 I142 W145 Y158 I159 S160 S164 N165 M166	F130-I162 HydrophobicContact CD1-CG2 4.28Å; F130-I162 HydrophobicContact CE1-CG2 3.62Å; L138-I162 HydrophobicContact CB-CD1 3.83Å; L138-I162 HydrophobicContact CD2-CD1 3.75Å; L138-I162 HydrophobicContact CG-CD1 4.36Å; I141-I162 HydrophobicContact CB-CD1 4.05Å; I141-I162 HydrophobicContact CB-CG1 4.42Å; I141-I162 HydrophobicContact CD1-CD1 4.11Å; I141-I162 HydrophobicContact CG2-CD1 4.08Å; I141-I162 HydrophobicContact CG2-CG1 3.98Å; I141-I162 HydrophobicContact CG2-CG2 3.96Å; I142-I162 HydrophobicContact CD1-CD1 4.26Å; I142-I162 HydrophobicContact CD1-CG1 4.14Å; I142-I162 HydrophobicContact CG1-CD1 4.11Å; I142-I162 HydrophobicContact CG1-CG1 3.7Å; W145-I162 HydrophobicContact CH2-CG2 3.6Å; W145-I162 HydrophobicContact CZ2-CG2 4.49Å; W145-I162 HydrophobicContact CZ3-CB 4.22Å; W145-I162 HydrophobicContact CZ3-CG2 3.75Å; W145-I162 WeakPolarHBondContact CZ3-O 3.43Å; Y158-I162 WeakPolarHBondContact O-CD1 3.48Å; Y158-I162 VanDerWaalsContact O-CG1 3.26Å; Y158-I162 WeakPolarHBondContact O-CG1 3.39Å; Y158-I162 PolarHBondContact O-N 2.96Å; Y158-I162 VanDerWaalsContact O-N 3.15Å; I159-I162 PolarHBondContact O-N 2.91Å; S160-I162 VanDerWaalsContact C-N 3.32Å; S160-I162 PolarHBondContact O-N 3.24Å; I162-S164 PolarHBondContact O-N 3.33Å; I162-N165 PolarHBondContact O-N 3.17Å; I162-M166 HydrophobicContact CG2-CE 3.99Å; I162-M166 PolarHBondContact O-N 2.88Å
163	K	94.5	Very high	93.9	Very high	47 Å²	47	69 Å²	69	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-46.3	179	-72.7	-170.7	178.5	-168.7	0	112.1	I159 S160 N165 M166 E182 L183	I159-K163 HydrophobicContact CG2-CD 4.12Å; I159-K163 HydrophobicContact CG2-CG 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.32Å; I159-K163 PolarHBondContact O-N 3.42Å; S160-K163 PolarHBondContact O-N 3.34Å; K163-N165 PolarHBondContact O-N 3.29Å; K163-N165 VanDerWaalsContact O-N 3.15Å; K163-M166 WeakPolarHBondContact O-CB 3.17Å; K163-M166 PolarHBondContact O-N 2.95Å; K163-M166 VanDerWaalsContact O-N 3.09Å; K163-E182 VanDerWaalsContact CE-O 3.23Å; K163-E182 WeakPolarHBondContact CE-O 3.45Å; K163-E182 PolarHBondContact NZ-O 2.9Å; K163-L183 HydrophobicContact CB-CD1 3.7Å; K163-L183 HydrophobicContact CD-CD1 4.44Å; K163-L183 HydrophobicContact CG-CD1 3.93Å; K163-L183 WeakPolarHBondContact O-CD1 3.34Å
164	S	94	Very high	94.1	Very high	90 Å²	90	63 Å²	63	63%	0.629	31%	0.311	S	S	*	.	H	α-helix	trans	-64	-20.9	179.4	-61	0	0	0	0	114	S160 I162	S160-S164 WeakPolarHBondContact O-CB 3.47Å; S160-S164 PolarHBondContact O-N 2.67Å; S160-S164 PolarHBondContact O-OG 2.97Å; S160-S164 VanDerWaalsContact O-OG 3.05Å; I162-S164 PolarHBondContact O-N 3.33Å
165	N	96.3	Very high	94	Very high	37 Å²	37	60 Å²	60	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-103	-1.1	177.5	-73.6	-86.4	0	0	0	113.3	W145 L147 L161 I162 K163 H167 K168 H169	W145-N165 HydrophobicContact CE3-CB 4.08Å; W145-N165 HydrophobicContact CZ3-CB 3.88Å; L147-N165 HydrophobicContact CD1-CB 3.76Å; L161-N165 WeakPolarHBondContact CD1-ND2 3.38Å; L161-N165 PolarHBondContact O-N 3.49Å; L161-N165 PolarHBondContact O-ND2 3.43Å; I162-N165 PolarHBondContact O-N 3.17Å; K163-N165 PolarHBondContact O-N 3.29Å; K163-N165 VanDerWaalsContact O-N 3.15Å; N165-H167 VanDerWaalsContact C-N 3.32Å; N165-H167 PolarHBondContact O-N 3.19Å; N165-K168 PolarHBondContact O-N 3.23Å; N165-H169 PolarHBondContact O-CD2 3.15Å; N165-H169 PolarHBondContact O-N 2.93Å
166	M	94.3	Very high	94	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-43.5	-175.9	-164.8	67.7	70.7	0	0	112	F125 F130 W145 I162 K163 K168 H169 D170 A173 A174 L177 L183	F125-M166 HydrophobicContact CB-CE 3.99Å; F125-M166 HydrophobicContact CB-SD 3.85Å; F125-M166 HydrophobicContact CD1-CE 3.76Å; F125-M166 HydrophobicContact CD1-SD 4.17Å; F125-M166 HydrophobicContact CD2-SD 4.1Å; F125-M166 HydrophobicContact CE1-CE 4.42Å; F125-M166 HydrophobicContact CG-CE 3.92Å; F125-M166 HydrophobicContact CG-SD 3.78Å; F130-M166 HydrophobicContact CE1-CE 3.96Å; F130-M166 HydrophobicContact CZ-CE 3.47Å; F130-M166 VanDerWaalsContact CZ-CE 3.47Å; W145-M166 HydrophobicContact CH2-CE 4.03Å; W145-M166 HydrophobicContact CH2-SD 3.76Å; W145-M166 HydrophobicContact CZ2-SD 4.07Å; I162-M166 HydrophobicContact CG2-CE 3.99Å; I162-M166 PolarHBondContact O-N 2.88Å; K163-M166 WeakPolarHBondContact O-CB 3.17Å; K163-M166 PolarHBondContact O-N 2.95Å; K163-M166 VanDerWaalsContact O-N 3.09Å; M166-K168 PolarHBondContact O-N 3.19Å; M166-H169 PolarHBondContact O-N 2.92Å; M166-D170 CarbonylContact O-C 3.15Å; M166-D170 WeakPolarHBondContact O-CA 3.36Å; M166-D170 PolarHBondContact O-N 2.66Å; M166-D170 VanDerWaalsContact O-O 3.09Å; M166-D170 HydrophobicContact SD-CB 3.96Å; M166-A173 HydrophobicContact SD-CB 4.37Å; M166-A174 HydrophobicContact CB-CB 4.01Å; M166-A174 HydrophobicContact CG-CB 3.71Å; M166-L177 HydrophobicContact CE-CD1 4.22Å; M166-L183 HydrophobicContact CB-CD1 3.91Å; M166-L183 HydrophobicContact CG-CD1 4.36Å
167	H	94.3	Very high	93.8	Very high	98 Å²	98	52.1 Å²	52.1	45%	0.454	28%	0.276	S	S	.	.	H	α-helix	trans	-57.1	-26.8	178.9	-67.5	-75	0	0	0	114.2	N165 P171 A174 Q178 L183	N165-H167 VanDerWaalsContact C-N 3.32Å; N165-H167 PolarHBondContact O-N 3.19Å; H167-P171 WeakPolarHBondContact O-CG 3.48Å; H167-A174 HydrophobicContact CB-CB 4.33Å; H167-A174 WeakPolarHBondContact ND1-CB 3.44Å; H167-Q178 PolarHBondContact CE1-OE1 3.25Å; H167-L183 VanDerWaalsContact NE2-CD2 3.35Å; H167-L183 WeakPolarHBondContact NE2-CD2 3.48Å
168	K	93.4	Very high	93.7	Very high	157 Å²	157	55.2 Å²	55.2	68%	0.683	29%	0.289	S	S	*	.	H	α-helix	trans	-87.2	-36.4	-178.8	-176.7	-179.8	176.7	-172.9	0	112.3	N165 M166	N165-K168 PolarHBondContact O-N 3.23Å; M166-K168 PolarHBondContact O-N 3.19Å
169	H	92.1	Very high	93.5	Very high	60 Å²	60	58.3 Å²	58.3	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-105	-22.2	-170.8	-64.5	-82.1	0	0	0	113.8	W145 N165 M166	W145-H169 AromaticContact CD1-CG 3.86Å; W145-H169 AromaticContact CD1-ND1 3.85Å; W145-H169 HydrophobicContact CD2-CB 3.61Å; W145-H169 AromaticContact CD2-CD2 3.75Å; W145-H169 AromaticContact CD2-CG 3.56Å; W145-H169 AromaticContact CE2-CG 3.9Å; W145-H169 HydrophobicContact CE3-CB 4.14Å; W145-H169 AromaticContact CE3-CD2 3.67Å; W145-H169 AromaticContact CE3-CG 3.96Å; W145-H169 HydrophobicContact CG-CB 3.92Å; W145-H169 AromaticContact CG-CD2 3.95Å; W145-H169 AromaticContact CG-CG 3.57Å; W145-H169 AromaticContact CG-ND1 3.65Å; W145-H169 HydrophobicContact CH2-CB 4.23Å; W145-H169 HydrophobicContact CZ2-CB 3.73Å; W145-H169 HydrophobicContact CZ3-CB 4.41Å; W145-H169 PolarHBondContact O-CE1 3.39Å; W145-H169 VanDerWaalsContact O-CE1 3.3Å; N165-H169 PolarHBondContact O-CD2 3.15Å; N165-H169 PolarHBondContact O-N 2.93Å; M166-H169 PolarHBondContact O-N 2.92Å
170	D	91.3	Very high	93.2	Very high	37 Å²	37	63.9 Å²	63.9	20%	0.198	34%	0.341	C	S	.	.			trans	-149.4	79.3	171.6	-166.1	-26	0	0	0	110.3	F125 M166 E172 A173 A174	F125-D170 HydrophobicContact CD2-CB 4.08Å; F125-D170 WeakPolarHBondContact CD2-OD2 3.44Å; M166-D170 CarbonylContact O-C 3.15Å; M166-D170 WeakPolarHBondContact O-CA 3.36Å; M166-D170 PolarHBondContact O-N 2.66Å; M166-D170 VanDerWaalsContact O-O 3.09Å; M166-D170 HydrophobicContact SD-CB 3.96Å; D170-E172 PolarHBondContact O-N 3.17Å; D170-E172 PolarHBondContact OD1-N 3.1Å; D170-A173 HydrophobicContact CB-CB 4Å; D170-A173 PolarHBondContact O-N 3.36Å; D170-A173 VanDerWaalsContact OD1-CB 3.32Å; D170-A173 WeakPolarHBondContact OD1-CB 3.44Å; D170-A173 PolarHBondContact OD1-N 3.29Å; D170-A173 WeakPolarHBondContact OD2-CB 3.12Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.14Å
171	P	90.4	Very high	93	Very high	85 Å²	85	63.7 Å²	63.7	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-59.4	-33	-178.1	-20.4	29.4	0	0	0	113.3	H167 A175	H167-P171 WeakPolarHBondContact O-CG 3.48Å; P171-A175 PolarHBondContact O-N 3.32Å
172	E	91	Very high	92.6	Very high	132 Å²	132	65.3 Å²	65.3	62%	0.617	36%	0.357	S	S	*	.	H	α-helix	trans	-71.4	-45.9	-179.1	-167.8	-174.1	164.2	0	0	110.9	K126 D170 A174 A175 Y176	K126-E172 VanDerWaalsContact NZ-CD 3.26Å; K126-E172 IonicContact NZ-OE1 3.01Å; K126-E172 PolarHBondContact NZ-OE1 2.58Å; K126-E172 IonicContact NZ-OE2 2.71Å; D170-E172 PolarHBondContact O-N 3.17Å; D170-E172 PolarHBondContact OD1-N 3.1Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A175 PolarHBondContact O-N 3.17Å; E172-Y176 WeakPolarHBondContact O-CB 3.37Å; E172-Y176 PolarHBondContact O-N 3.36Å; E172-Y176 VanDerWaalsContact O-N 3.09Å
173	A	92.3	Very high	92.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.7	-37.2	173.3	0	0	0	0	0	112	F125 K126 M166 D170 A175 Y176 L177	F125-A173 HydrophobicContact CB-CB 3.6Å; K126-A173 HydrophobicContact CG-CB 4.01Å; M166-A173 HydrophobicContact SD-CB 4.37Å; D170-A173 HydrophobicContact CB-CB 4Å; D170-A173 PolarHBondContact O-N 3.36Å; D170-A173 VanDerWaalsContact OD1-CB 3.32Å; D170-A173 WeakPolarHBondContact OD1-CB 3.44Å; D170-A173 PolarHBondContact OD1-N 3.29Å; D170-A173 WeakPolarHBondContact OD2-CB 3.12Å; A173-A175 PolarHBondContact O-N 2.95Å; A173-Y176 PolarHBondContact O-N 3.25Å; A173-L177 WeakPolarHBondContact O-CB 3.27Å; A173-L177 VanDerWaalsContact O-CG 3.29Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 3.4Å
174	A	93.8	Very high	92	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-48	176.5	0	0	0	0	0	111.7	M166 H167 D170 E172 Y176 L177 Q178 L183	M166-A174 HydrophobicContact CB-CB 4.01Å; M166-A174 HydrophobicContact CG-CB 3.71Å; H167-A174 HydrophobicContact CB-CB 4.33Å; H167-A174 WeakPolarHBondContact ND1-CB 3.44Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.14Å; E172-A174 VanDerWaalsContact C-N 3.34Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; A174-Y176 PolarHBondContact O-N 2.85Å; A174-L177 PolarHBondContact O-N 3.44Å; A174-Q178 VanDerWaalsContact O-CB 3.25Å; A174-Q178 WeakPolarHBondContact O-CB 3.36Å; A174-Q178 PolarHBondContact O-N 3.14Å; A174-L183 HydrophobicContact CB-CD2 4.13Å
175	A	93.3	Very high	91.9	Very high	60 Å²	60	68.9 Å²	68.9	50%	0.496	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.3	0	0	0	0	0	111.9	P171 E172 A173 A179	P171-A175 PolarHBondContact O-N 3.32Å; E172-A175 PolarHBondContact O-N 3.17Å; A173-A175 PolarHBondContact O-N 2.95Å; A175-A179 PolarHBondContact O-N 3.46Å; A175-A179 VanDerWaalsContact O-N 3.12Å
176	Y	93.1	Very high	91.6	Very high	91 Å²	91	70.7 Å²	70.7	36%	0.357	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-47.4	177.9	-177.8	-91.9	0	0	0	112.8	K126 E172 A173 A174 A179 R180	K126-Y176 HydrophobicContact CB-CD1 3.69Å; K126-Y176 HydrophobicContact CB-CE1 3.9Å; K126-Y176 HydrophobicContact CB-CG 4.28Å; K126-Y176 HydrophobicContact CD-CD1 4.44Å; K126-Y176 HydrophobicContact CD-CD2 4.48Å; K126-Y176 HydrophobicContact CD-CG 4.19Å; K126-Y176 HydrophobicContact CG-CD1 3.84Å; K126-Y176 HydrophobicContact CG-CE1 4.49Å; K126-Y176 HydrophobicContact CG-CG 3.96Å; E172-Y176 WeakPolarHBondContact O-CB 3.37Å; E172-Y176 PolarHBondContact O-N 3.36Å; E172-Y176 VanDerWaalsContact O-N 3.09Å; A173-Y176 PolarHBondContact O-N 3.25Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; A174-Y176 PolarHBondContact O-N 2.85Å; Y176-A179 PolarHBondContact O-N 2.98Å; Y176-R180 PolarHBondContact O-N 2.95Å; Y176-R180 PolarHBondContact OH-NH1 3.43Å
177	L	92.1	Very high	91.5	Very high	1 Å²	1	74.8 Å²	74.8	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-69.6	-37	-179.7	-67.2	174.6	0	0	0	112	F130 M166 A173 A174 A179 R180 G181 E182 L183	F130-L177 HydrophobicContact CE2-CD1 4.03Å; F130-L177 HydrophobicContact CZ-CD1 4.32Å; M166-L177 HydrophobicContact CE-CD1 4.22Å; A173-L177 WeakPolarHBondContact O-CB 3.27Å; A173-L177 VanDerWaalsContact O-CG 3.29Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 3.4Å; A174-L177 PolarHBondContact O-N 3.44Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.39Å; L177-R180 CarbonylContact O-C 3.59Å; L177-R180 PolarHBondContact O-N 3.29Å; L177-R180 VanDerWaalsContact O-N 3.12Å; L177-G181 PolarHBondContact O-N 3.39Å; L177-E182 HydrophobicContact CB-CB 4.42Å; L177-E182 HydrophobicContact CD2-CB 4.16Å; L177-E182 PolarHBondContact O-N 3.5Å; L177-L183 HydrophobicContact CB-CB 4.07Å; L177-L183 HydrophobicContact CD1-CD1 4.41Å
178	Q	93	Very high	91.3	Very high	120 Å²	120	73.4 Å²	73.4	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-64	-39.6	176.1	-172.1	173.1	9.6	0	0	111.7	H167 A174 R180 G181 L183	H167-Q178 PolarHBondContact CE1-OE1 3.25Å; A174-Q178 VanDerWaalsContact O-CB 3.25Å; A174-Q178 WeakPolarHBondContact O-CB 3.36Å; A174-Q178 PolarHBondContact O-N 3.14Å; Q178-R180 PolarHBondContact O-N 3.4Å; Q178-G181 PolarHBondContact O-N 2.88Å; Q178-G181 VanDerWaalsContact O-N 3.1Å; Q178-L183 HydrophobicContact CB-CB 4.44Å; Q178-L183 HydrophobicContact CB-CD2 4.49Å
179	A	92.6	Very high	91.2	Very high	91 Å²	91	67.8 Å²	67.8	75%	0.752	38%	0.38	S	S	*	.	H	α-helix	trans	-62.3	-22.2	175	0	0	0	0	0	113.3	A175 Y176 L177	A175-A179 PolarHBondContact O-N 3.46Å; A175-A179 VanDerWaalsContact O-N 3.12Å; Y176-A179 PolarHBondContact O-N 2.98Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.39Å
180	R	90.2	Very high	91.1	Very high	124 Å²	124	68.4 Å²	68.4	47%	0.468	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.4	177.3	-67.9	174.2	57.2	154.7	-6	113.9	Y176 L177 Q178 E182	Y176-R180 PolarHBondContact O-N 2.95Å; Y176-R180 PolarHBondContact OH-NH1 3.43Å; L177-R180 CarbonylContact O-C 3.59Å; L177-R180 PolarHBondContact O-N 3.29Å; L177-R180 VanDerWaalsContact O-N 3.12Å; Q178-R180 PolarHBondContact O-N 3.4Å; R180-E182 HydrophobicContact CB-CB 4.46Å; R180-E182 HydrophobicContact CB-CG 4.02Å; R180-E182 IonicContact CZ-OE1 2.69Å; R180-E182 VanDerWaalsContact CZ-OE1 3.27Å; R180-E182 IonicContact NE-OE1 2.65Å; R180-E182 PolarHBondContact NE-OE1 3.3Å; R180-E182 IonicContact NE-OE2 3.32Å; R180-E182 IonicContact NH2-OE1 3.16Å; R180-E182 PolarHBondContact NH2-OE1 3.37Å; R180-E182 IonicContact NH2-OE2 3.98Å; R180-E182 PolarHBondContact O-N 3.03Å
181	G	89.8	Confident	91.1	Very high	66 Å²	66	70.8 Å²	70.8	68%	0.68	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	26	-172.6	0	0	0	0	0	113.3	L177 Q178	L177-G181 PolarHBondContact O-N 3.39Å; Q178-G181 PolarHBondContact O-N 2.88Å; Q178-G181 VanDerWaalsContact O-N 3.1Å
182	E	86.5	Confident	91.1	Very high	76 Å²	76	69.6 Å²	69.6	36%	0.355	39%	0.39	S	S	.	.			trans	-102.4	-3.2	-178.8	-69.2	-177.5	-161.7	0	0	113.3	K163 L177 R180	K163-E182 VanDerWaalsContact CE-O 3.23Å; K163-E182 WeakPolarHBondContact CE-O 3.45Å; K163-E182 PolarHBondContact NZ-O 2.9Å; L177-E182 HydrophobicContact CB-CB 4.42Å; L177-E182 HydrophobicContact CD2-CB 4.16Å; L177-E182 PolarHBondContact O-N 3.5Å; R180-E182 HydrophobicContact CB-CB 4.46Å; R180-E182 HydrophobicContact CB-CG 4.02Å; R180-E182 IonicContact CZ-OE1 2.69Å; R180-E182 VanDerWaalsContact CZ-OE1 3.27Å; R180-E182 IonicContact NE-OE1 2.65Å; R180-E182 PolarHBondContact NE-OE1 3.3Å; R180-E182 IonicContact NE-OE2 3.32Å; R180-E182 IonicContact NH2-OE1 3.16Å; R180-E182 PolarHBondContact NH2-OE1 3.37Å; R180-E182 IonicContact NH2-OE2 3.98Å; R180-E182 PolarHBondContact O-N 3.03Å
183	L	86	Confident	91.1	Very high	74 Å²	74	63.9 Å²	63.9	39%	0.387	37%	0.369	S	S	.	.			trans	-102.4	0	172.5	-162	69.7	0	0	0	110.4	K163 M166 H167 A174 L177 Q178	K163-L183 HydrophobicContact CB-CD1 3.7Å; K163-L183 HydrophobicContact CD-CD1 4.44Å; K163-L183 HydrophobicContact CG-CD1 3.93Å; K163-L183 WeakPolarHBondContact O-CD1 3.34Å; M166-L183 HydrophobicContact CB-CD1 3.91Å; M166-L183 HydrophobicContact CG-CD1 4.36Å; H167-L183 VanDerWaalsContact NE2-CD2 3.35Å; H167-L183 WeakPolarHBondContact NE2-CD2 3.48Å; A174-L183 HydrophobicContact CB-CD2 4.13Å; L177-L183 HydrophobicContact CB-CB 4.07Å; L177-L183 HydrophobicContact CD1-CD1 4.41Å; Q178-L183 HydrophobicContact CB-CB 4.44Å; Q178-L183 HydrophobicContact CB-CD2 4.49Å

Retrieved 183 of 183 residues in 67.5 ms (Link to these results)

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