G4VBZ8_SCHMA Loading...

Williams-beuren syndrome critical region protein-related

Component of the ESCRT-I complex, a regulator of vesicular trafficking process. Required for the sorting of endocytic ubiquitinated cargos into multivesicular bodies. May be involved in cell growth and differentiation.

AlphaFold DB , UniProt , Accession G4VBZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.4	Very low	48.9	Very low	242 Å²	242	117.5 Å²	117.5	100%	1.192	68%	0.682	S	S	*	*				0	109.1	0	-66	-164.6	-158.5	0	0	107.5	A3	M1-A3 PolarHBondContact O-N 2.66Å
2	N	40.7	Very low	49.8	Very low	161 Å²	161	118.9 Å²	118.9	86%	0.861	68%	0.675	S	S	*	*			trans	-70.1	110.6	173.7	-89.6	-2.9	0	0	0	108	T4	N2-T4 PolarHBondContact O-N 3.24Å
3	A	47.3	Very low	50.9	Low	102 Å²	102	118.5 Å²	118.5	84%	0.843	67%	0.67	S	S	*	*			trans	-70.5	87.7	166.8	0	0	0	0	0	107.8	M1 S5	M1-A3 PolarHBondContact O-N 2.66Å; A3-S5 PolarHBondContact O-N 3.17Å
4	T	52.7	Low	52.2	Low	104 Å²	104	116.6 Å²	116.6	64%	0.638	65%	0.652	S	S	*	*			trans	-67.1	106.7	169	-54	0	0	0	0	107	N2 Y6	N2-T4 PolarHBondContact O-N 3.24Å; T4-Y6 PolarHBondContact O-N 2.76Å
5	S	47.9	Very low	53.5	Low	90 Å²	90	112.7 Å²	112.7	63%	0.629	63%	0.629	S	S	*	*			trans	-50.7	102.8	175.1	177.4	0	0	0	0	110.6	A3 N7	A3-S5 PolarHBondContact O-N 3.17Å; S5-N7 PolarHBondContact O-N 2.83Å
6	Y	51.2	Low	54.7	Low	138 Å²	138	111.4 Å²	111.4	54%	0.541	62%	0.62	S	S	.	*			trans	-78.6	47.2	169.5	-101.6	-77.2	0	0	0	110.8	T4 I50 D53	T4-Y6 PolarHBondContact O-N 2.76Å; Y6-I50 HydrophobicContact CE1-CD1 3.83Å; Y6-I50 HydrophobicContact CE1-CG1 3.41Å; Y6-I50 VanDerWaalsContact CE1-CG1 3.41Å; Y6-I50 VanDerWaalsContact OH-CG1 3.32Å; Y6-I50 WeakPolarHBondContact OH-CG1 3.48Å; Y6-D53 PolarHBondContact OH-OD2 3.29Å
7	N	52.1	Low	56	Low	148 Å²	148	107.9 Å²	107.9	79%	0.791	61%	0.605	S	S	*	*			trans	-127.2	84.7	174.7	-86.5	-30.8	0	0	0	107.9	S5	S5-N7 PolarHBondContact O-N 2.83Å
8	G	47.4	Very low	57	Low	58 Å²	58	104.8 Å²	104.8	60%	0.598	59%	0.591	S	S	*	*			trans	156.2	86.7	178.3	0	0	0	0	0	111.2	D10	G8-D10 PolarHBondContact O-N 2.81Å
9	V	50.7	Low	58.2	Low	94 Å²	94	102.2 Å²	102.2	57%	0.57	58%	0.575	S	S	*	*			trans	-70.3	79.1	167.1	-141	0	0	0	0	106.7	G11	V9-G11 PolarHBondContact O-N 3.48Å
10	D	55.8	Low	59.3	Low	152 Å²	152	105.2 Å²	105.2	81%	0.813	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-11.7	172.8	-80.6	-22.2	0	0	0	111.1	G8 K12	G8-D10 PolarHBondContact O-N 2.81Å; D10-K12 VanDerWaalsContact C-N 3.33Å; D10-K12 PolarHBondContact O-N 3.06Å
11	G	55.1	Low	60.4	Low	3 Å²	3	108.4 Å²	108.4	3%	0.031	59%	0.592	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	19.8	175.5	0	0	0	0	0	116	V9 D13 E14 D46	V9-G11 PolarHBondContact O-N 3.48Å; G11-D13 PolarHBondContact O-N 3.04Å; G11-E14 PolarHBondContact O-N 3.22Å; G11-D46 WeakPolarHBondContact CA-OD2 3.39Å; G11-D46 PolarHBondContact N-OD2 3.04Å; G11-D46 VanDerWaalsContact N-OD2 3.12Å
12	K	59.7	Low	62.5	Low	135 Å²	135	99.7 Å²	99.7	59%	0.587	55%	0.55	S	S	*	.	H	α-helix	trans	-53.4	-38.5	168.9	-75.5	176	-174.4	162.9	0	110.9	D10 E14 L16	D10-K12 VanDerWaalsContact C-N 3.33Å; D10-K12 PolarHBondContact O-N 3.06Å; K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 2.66Å; K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 WeakPolarHBondContact O-CD1 3.29Å; K12-L16 WeakPolarHBondContact O-CG 3.21Å; K12-L16 PolarHBondContact O-N 2.98Å; K12-L16 VanDerWaalsContact O-N 3.16Å
13	D	64.3	Low	64.5	Low	114 Å²	114	94.4 Å²	94.4	61%	0.61	53%	0.526	S	S	*	.	H	α-helix	trans	-69	-29.1	-174.9	-63.9	-21.3	0	0	0	112.8	G11 S17	G11-D13 PolarHBondContact O-N 3.04Å; D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.19Å; D13-S17 PolarHBondContact O-OG 3.39Å
14	E	68.6	Low	66.3	Low	92 Å²	92	97.2 Å²	97.2	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-82.6	-36	-176.2	-62.5	-169.3	165.6	0	0	113	G11 K12 S17 S18 P45	G11-E14 PolarHBondContact O-N 3.22Å; K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 2.66Å; E14-S17 PolarHBondContact O-N 3.45Å; E14-S18 PolarHBondContact O-N 3.5Å; E14-S18 PolarHBondContact O-OG 2.98Å; E14-P45 VanDerWaalsContact OE2-CB 3.29Å; E14-P45 WeakPolarHBondContact OE2-CB 3.26Å; E14-P45 WeakPolarHBondContact OE2-CD 3.36Å; E14-P45 WeakPolarHBondContact OE2-CG 3.46Å
15	I	72	Confident	67.7	Low	58 Å²	58	97 Å²	97	30%	0.297	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-45.7	171.4	-60.7	177.9	0	0	0	109.1	S18 L19 C44	I15-S18 PolarHBondContact O-N 3.12Å; I15-L19 HydrophobicContact CG2-CD1 3.85Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 2.88Å; I15-C44 HydrophobicContact CD1-CB 4.33Å; I15-C44 HydrophobicContact CG1-CB 4.07Å; I15-C44 WeakPolarHBondContact CG1-SG 3.33Å
16	L	73	Confident	69.4	Low	92 Å²	92	97.4 Å²	97.4	48%	0.482	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-45.2	175.6	-69.8	172.3	0	0	0	111.3	K12 S18 L19 E20	K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 WeakPolarHBondContact O-CD1 3.29Å; K12-L16 WeakPolarHBondContact O-CG 3.21Å; K12-L16 PolarHBondContact O-N 2.98Å; K12-L16 VanDerWaalsContact O-N 3.16Å; L16-S18 PolarHBondContact O-N 3.46Å; L16-L19 HydrophobicContact CD2-CD1 4.49Å; L16-L19 CarbonylContact O-C 3.57Å; L16-L19 WeakPolarHBondContact O-CA 3.5Å; L16-L19 WeakPolarHBondContact O-CB 3.39Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-E20 WeakPolarHBondContact O-CB 2.94Å; L16-E20 WeakPolarHBondContact O-CG 3.5Å; L16-E20 PolarHBondContact O-N 3.09Å
17	S	76.4	Confident	70.8	Confident	52 Å²	52	94.3 Å²	94.3	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-30.3	175.8	-66.2	0	0	0	0	113.5	D13 E14 K21	D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.19Å; D13-S17 PolarHBondContact O-OG 3.39Å; E14-S17 PolarHBondContact O-N 3.45Å; S17-K21 WeakPolarHBondContact O-CD 3.11Å; S17-K21 WeakPolarHBondContact O-CG 3.26Å
18	S	74.2	Confident	72.2	Confident	52 Å²	52	92.2 Å²	92.2	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-78.5	-34.5	175.4	-61.7	0	0	0	0	111.9	E14 I15 L16	E14-S18 PolarHBondContact O-N 3.5Å; E14-S18 PolarHBondContact O-OG 2.98Å; I15-S18 PolarHBondContact O-N 3.12Å; L16-S18 PolarHBondContact O-N 3.46Å
19	L	80.1	Confident	74	Confident	54 Å²	54	92.2 Å²	92.2	28%	0.283	48%	0.482	S	S	.	.	H	α-helix	trans	-70.4	-38.2	174.6	-70.9	161	0	0	0	112.1	I15 L16 K21 L22 L27 L30 L40	I15-L19 HydrophobicContact CG2-CD1 3.85Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 2.88Å; L16-L19 HydrophobicContact CD2-CD1 4.49Å; L16-L19 CarbonylContact O-C 3.57Å; L16-L19 WeakPolarHBondContact O-CA 3.5Å; L16-L19 WeakPolarHBondContact O-CB 3.39Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-K21 PolarHBondContact O-N 3.26Å; L19-L22 HydrophobicContact CD2-CD1 4.49Å; L19-L22 PolarHBondContact O-N 3.25Å; L19-L22 VanDerWaalsContact O-N 3.17Å; L19-L27 HydrophobicContact CB-CD1 4.47Å; L19-L27 HydrophobicContact CD2-CD1 3.93Å; L19-L30 HydrophobicContact CD2-CD2 4.12Å; L19-L40 HydrophobicContact CD2-CD2 3.87Å; L19-L40 HydrophobicContact CG-CD2 4.18Å
20	E	80.6	Confident	75.6	Confident	162 Å²	162	89.2 Å²	89.2	76%	0.757	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	178.3	-78.7	-179.3	178.1	0	0	113.5	L16	L16-E20 WeakPolarHBondContact O-CB 2.94Å; L16-E20 WeakPolarHBondContact O-CG 3.5Å; L16-E20 PolarHBondContact O-N 3.09Å
21	K	82	Confident	76.9	Confident	173 Å²	173	88.7 Å²	88.7	75%	0.752	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.5	179.3	-68.7	171.2	-172.6	174.2	0	113.6	S17 L19	S17-K21 WeakPolarHBondContact O-CD 3.11Å; S17-K21 WeakPolarHBondContact O-CG 3.26Å; L19-K21 PolarHBondContact O-N 3.26Å
22	L	82	Confident	78.3	Confident	59 Å²	59	93.7 Å²	93.7	31%	0.309	49%	0.494	S	S	.	.	S	Bend	trans	-88.8	138	-178.6	-68.4	161.2	0	0	0	110.2	L19 E26 L27 L30	L19-L22 HydrophobicContact CD2-CD1 4.49Å; L19-L22 PolarHBondContact O-N 3.25Å; L19-L22 VanDerWaalsContact O-N 3.17Å; L22-E26 HydrophobicContact CB-CB 4.2Å; L22-E26 HydrophobicContact CD2-CB 3.97Å; L22-L27 HydrophobicContact CB-CD1 3.76Å; L22-L27 HydrophobicContact CD1-CD1 3.99Å; L22-L30 HydrophobicContact CD1-CD2 3.97Å
23	S	82.3	Confident	79.5	Confident	51 Å²	51	90.8 Å²	90.8	36%	0.357	49%	0.485	S	S	.	.			trans	-67.7	159.5	172.6	66.4	0	0	0	0	111.3	T25 E26 L27	S23-T25 PolarHBondContact O-N 2.98Å; S23-T25 PolarHBondContact OG-OG1 3.33Å; S23-T25 VanDerWaalsContact OG-OG1 3.09Å; S23-E26 VanDerWaalsContact CB-OE2 3.29Å; S23-E26 WeakPolarHBondContact CB-OE2 3.42Å; S23-E26 PolarHBondContact N-OE2 3.16Å; S23-E26 WeakPolarHBondContact O-CB 3.39Å; S23-E26 PolarHBondContact O-N 3.2Å; S23-E26 VanDerWaalsContact OG-CD 3.23Å; S23-E26 VanDerWaalsContact OG-CG 3.26Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 3.04Å; S23-E26 PolarHBondContact OG-OE2 2.83Å; S23-L27 PolarHBondContact O-N 3.41Å
24	K	83.9	Confident	80.4	Confident	160 Å²	160	92 Å²	92	70%	0.696	49%	0.487	S	S	*	.	H	α-helix	trans	-51.5	-43.8	178.2	-179.8	-179	170.9	-175.3	0	112.7	E26 L27 E28	K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 2.93Å; K24-L27 PolarHBondContact O-N 2.95Å; K24-E28 WeakPolarHBondContact CE-OE1 3.33Å; K24-E28 IonicContact NZ-OE1 3.88Å; K24-E28 WeakPolarHBondContact O-CG 3.16Å; K24-E28 PolarHBondContact O-N 3.13Å
25	T	82.8	Confident	81.4	Confident	100 Å²	100	92.1 Å²	92.1	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-37.5	178.2	40.2	0	0	0	0	112.6	S23 A29	S23-T25 PolarHBondContact O-N 2.98Å; S23-T25 PolarHBondContact OG-OG1 3.33Å; S23-T25 VanDerWaalsContact OG-OG1 3.09Å; T25-A29 WeakPolarHBondContact O-CB 3.35Å; T25-A29 PolarHBondContact O-N 2.9Å
26	E	82.4	Confident	81.9	Confident	98 Å²	98	89.9 Å²	89.9	46%	0.458	48%	0.478	S	S	.	.	H	α-helix	trans	-72.3	-35.9	176.7	-69.5	165.3	135.6	0	0	111.6	L22 S23 K24 A29 L30	L22-E26 HydrophobicContact CB-CB 4.2Å; L22-E26 HydrophobicContact CD2-CB 3.97Å; S23-E26 VanDerWaalsContact CB-OE2 3.29Å; S23-E26 WeakPolarHBondContact CB-OE2 3.42Å; S23-E26 PolarHBondContact N-OE2 3.16Å; S23-E26 WeakPolarHBondContact O-CB 3.39Å; S23-E26 PolarHBondContact O-N 3.2Å; S23-E26 VanDerWaalsContact OG-CD 3.23Å; S23-E26 VanDerWaalsContact OG-CG 3.26Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 3.04Å; S23-E26 PolarHBondContact OG-OE2 2.83Å; K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 2.93Å; E26-A29 PolarHBondContact O-N 3.26Å; E26-L30 VanDerWaalsContact O-CB 3.22Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3Å
27	L	81.6	Confident	82.5	Confident	74 Å²	74	88.9 Å²	88.9	39%	0.387	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-41	176	-137.9	78.1	0	0	0	111.8	L19 L22 S23 K24 L30 L31	L19-L27 HydrophobicContact CB-CD1 4.47Å; L19-L27 HydrophobicContact CD2-CD1 3.93Å; L22-L27 HydrophobicContact CB-CD1 3.76Å; L22-L27 HydrophobicContact CD1-CD1 3.99Å; S23-L27 PolarHBondContact O-N 3.41Å; K24-L27 PolarHBondContact O-N 2.95Å; L27-L30 PolarHBondContact O-N 2.85Å; L27-L31 WeakPolarHBondContact O-CB 2.98Å; L27-L31 PolarHBondContact O-N 3.5Å
28	E	82.5	Confident	83	Confident	103 Å²	103	90.8 Å²	90.8	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-39.9	174.7	-74.7	173.6	178.3	0	0	111.9	K24 L31 S32	K24-E28 WeakPolarHBondContact CE-OE1 3.33Å; K24-E28 IonicContact NZ-OE1 3.88Å; K24-E28 WeakPolarHBondContact O-CG 3.16Å; K24-E28 PolarHBondContact O-N 3.13Å; E28-L31 PolarHBondContact O-N 3.38Å; E28-S32 PolarHBondContact O-N 3.02Å; E28-S32 PolarHBondContact O-OG 3.15Å
29	A	83.4	Confident	83.5	Confident	59 Å²	59	94.5 Å²	94.5	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-44.7	172.8	0	0	0	0	0	111.4	T25 E26 L31 S32 D33	T25-A29 WeakPolarHBondContact O-CB 3.35Å; T25-A29 PolarHBondContact O-N 2.9Å; E26-A29 PolarHBondContact O-N 3.26Å; A29-L31 PolarHBondContact O-N 2.82Å; A29-S32 CarbonylContact O-C 3.56Å; A29-S32 PolarHBondContact O-N 3.07Å; A29-S32 VanDerWaalsContact O-N 3.14Å; A29-D33 WeakPolarHBondContact O-CB 3.37Å; A29-D33 PolarHBondContact O-N 3.46Å
30	L	84.3	Confident	83.7	Confident	30 Å²	30	94 Å²	94	16%	0.157	48%	0.481	C	S	.	.	H	α-helix	trans	-64.5	-38.7	177.9	-174.2	66.7	0	0	0	111.9	L19 L22 E26 L27 S32 D33 I37 L40	L19-L30 HydrophobicContact CD2-CD2 4.12Å; L22-L30 HydrophobicContact CD1-CD2 3.97Å; E26-L30 VanDerWaalsContact O-CB 3.22Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3Å; L27-L30 PolarHBondContact O-N 2.85Å; L30-S32 PolarHBondContact O-N 3.49Å; L30-D33 CarbonylContact O-C 3.53Å; L30-D33 PolarHBondContact O-N 3.03Å; L30-D33 VanDerWaalsContact O-N 3.09Å; L30-D33 VanDerWaalsContact O-O 3.13Å; L30-I37 HydrophobicContact CD1-CG1 4.2Å; L30-I37 HydrophobicContact CG-CG1 4.02Å; L30-I37 WeakPolarHBondContact O-CD1 3.22Å; L30-I37 VanDerWaalsContact O-CG1 3.31Å; L30-I37 WeakPolarHBondContact O-CG1 3.14Å; L30-L40 HydrophobicContact CD2-CD2 3.99Å
31	L	83.5	Confident	83.8	Confident	141 Å²	141	88 Å²	88	74%	0.738	46%	0.459	S	S	*	.	H	α-helix	trans	-61.1	-30.7	175	-175.1	64.1	0	0	0	112.1	L27 E28 A29	L27-L31 WeakPolarHBondContact O-CB 2.98Å; L27-L31 PolarHBondContact O-N 3.5Å; E28-L31 PolarHBondContact O-N 3.38Å; A29-L31 PolarHBondContact O-N 2.82Å
32	S	83.8	Confident	84	Confident	108 Å²	108	84.6 Å²	84.6	76%	0.755	44%	0.444	S	S	*	.	H	α-helix	trans	-88.7	-11.4	177.6	-52.3	0	0	0	0	113.3	E28 A29 L30	E28-S32 PolarHBondContact O-N 3.02Å; E28-S32 PolarHBondContact O-OG 3.15Å; A29-S32 CarbonylContact O-C 3.56Å; A29-S32 PolarHBondContact O-N 3.07Å; A29-S32 VanDerWaalsContact O-N 3.14Å; L30-S32 PolarHBondContact O-N 3.49Å
33	D	86	Confident	84	Confident	75 Å²	75	86.3 Å²	86.3	40%	0.401	45%	0.454	S	S	.	.			trans	-110.8	93.2	-178.9	-179.8	16.3	0	0	0	111.5	A29 L30 E35 G36 I37	A29-D33 WeakPolarHBondContact O-CB 3.37Å; A29-D33 PolarHBondContact O-N 3.46Å; L30-D33 CarbonylContact O-C 3.53Å; L30-D33 PolarHBondContact O-N 3.03Å; L30-D33 VanDerWaalsContact O-N 3.09Å; L30-D33 VanDerWaalsContact O-O 3.13Å; D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 3.27Å; D33-E35 PolarHBondContact OD1-N 2.87Å; D33-E35 VanDerWaalsContact OD1-N 3.13Å; D33-G36 WeakPolarHBondContact O-CA 3.3Å; D33-G36 PolarHBondContact O-N 3.07Å; D33-G36 VanDerWaalsContact O-N 3.1Å; D33-G36 PolarHBondContact OD1-N 2.85Å; D33-G36 VanDerWaalsContact OD1-N 3.1Å; D33-G36 VanDerWaalsContact OD2-CA 3.25Å; D33-G36 WeakPolarHBondContact OD2-CA 3.48Å; D33-G36 PolarHBondContact OD2-N 3.15Å; D33-G36 VanDerWaalsContact OD2-N 3.09Å; D33-I37 PolarHBondContact O-N 2.92Å
34	H	84	Confident	84.1	Confident	140 Å²	140	84.3 Å²	84.3	65%	0.648	44%	0.439	S	S	*	.	H	α-helix	trans	-59.6	-35.2	177.7	-172.7	66.9	0	0	0	113.1	I37 K38	H34-I37 PolarHBondContact O-N 3.42Å; H34-K38 WeakPolarHBondContact O-CB 3.35Å; H34-K38 PolarHBondContact O-N 3.29Å
35	E	87.9	Confident	84.1	Confident	94 Å²	94	79.9 Å²	79.9	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-72.2	-32.9	177.4	-77.5	-63.4	132.1	0	0	111.2	D33 K38 K39	D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 3.27Å; D33-E35 PolarHBondContact OD1-N 2.87Å; D33-E35 VanDerWaalsContact OD1-N 3.13Å; E35-K38 PolarHBondContact O-N 3.42Å; E35-K38 IonicContact OE1-NZ 2.68Å; E35-K38 PolarHBondContact OE1-NZ 2.85Å; E35-K39 WeakPolarHBondContact O-CB 3.39Å; E35-K39 VanDerWaalsContact O-CG 3.26Å; E35-K39 WeakPolarHBondContact O-CG 3.32Å; E35-K39 PolarHBondContact O-N 3.14Å
36	G	83.8	Confident	84	Confident	10 Å²	10	77.4 Å²	77.4	10%	0.103	41%	0.41	C	S	.	.	H	α-helix	trans	-60.4	-49	170	0	0	0	0	0	112.6	D33 K38 K39 L40	D33-G36 WeakPolarHBondContact O-CA 3.3Å; D33-G36 PolarHBondContact O-N 3.07Å; D33-G36 VanDerWaalsContact O-N 3.1Å; D33-G36 PolarHBondContact OD1-N 2.85Å; D33-G36 VanDerWaalsContact OD1-N 3.1Å; D33-G36 VanDerWaalsContact OD2-CA 3.25Å; D33-G36 WeakPolarHBondContact OD2-CA 3.48Å; D33-G36 PolarHBondContact OD2-N 3.15Å; D33-G36 VanDerWaalsContact OD2-N 3.09Å; G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 3.25Å; G36-K39 WeakPolarHBondContact O-CB 3.36Å; G36-K39 PolarHBondContact O-N 2.98Å; G36-L40 PolarHBondContact O-N 2.91Å
37	I	85.1	Confident	84.2	Confident	72 Å²	72	75.4 Å²	75.4	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.3	-64.6	169.4	0	0	0	110.6	L30 D33 H34 K39 L40 A41	L30-I37 HydrophobicContact CD1-CG1 4.2Å; L30-I37 HydrophobicContact CG-CG1 4.02Å; L30-I37 WeakPolarHBondContact O-CD1 3.22Å; L30-I37 VanDerWaalsContact O-CG1 3.31Å; L30-I37 WeakPolarHBondContact O-CG1 3.14Å; D33-I37 PolarHBondContact O-N 2.92Å; H34-I37 PolarHBondContact O-N 3.42Å; I37-K39 VanDerWaalsContact C-N 3.34Å; I37-K39 PolarHBondContact O-N 3.43Å; I37-L40 PolarHBondContact O-N 2.87Å; I37-A41 WeakPolarHBondContact O-CB 3.42Å; I37-A41 PolarHBondContact O-N 2.91Å
38	K	86	Confident	84.6	Confident	92 Å²	92	76.6 Å²	76.6	40%	0.4	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177.7	-173.5	-179.2	-179.5	-176.5	0	112.2	H34 E35 G36 K42	H34-K38 WeakPolarHBondContact O-CB 3.35Å; H34-K38 PolarHBondContact O-N 3.29Å; E35-K38 PolarHBondContact O-N 3.42Å; E35-K38 IonicContact OE1-NZ 2.68Å; E35-K38 PolarHBondContact OE1-NZ 2.85Å; G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 3.25Å; K38-K42 WeakPolarHBondContact O-CB 3.33Å; K38-K42 WeakPolarHBondContact O-CG 3.3Å; K38-K42 PolarHBondContact O-N 2.91Å
39	K	85.5	Confident	84.9	Confident	130 Å²	130	76.7 Å²	76.7	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-64.8	-42.4	173.2	-75.6	170.7	-175.6	173.9	0	111.6	E35 G36 I37 K42 N43	E35-K39 WeakPolarHBondContact O-CB 3.39Å; E35-K39 VanDerWaalsContact O-CG 3.26Å; E35-K39 WeakPolarHBondContact O-CG 3.32Å; E35-K39 PolarHBondContact O-N 3.14Å; G36-K39 WeakPolarHBondContact O-CB 3.36Å; G36-K39 PolarHBondContact O-N 2.98Å; I37-K39 VanDerWaalsContact C-N 3.34Å; I37-K39 PolarHBondContact O-N 3.43Å; K39-K42 PolarHBondContact O-N 3.21Å; K39-N43 WeakPolarHBondContact O-CB 3.35Å; K39-N43 VanDerWaalsContact O-CG 3.32Å; K39-N43 PolarHBondContact O-N 3.42Å; K39-N43 PolarHBondContact O-ND2 3.1Å; K39-N43 VanDerWaalsContact O-ND2 3.07Å
40	L	83.9	Confident	85.2	Confident	44 Å²	44	77.6 Å²	77.6	23%	0.23	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-46.8	175.8	-177.5	65.6	0	0	0	111	L19 L30 G36 I37 N43 C44	L19-L40 HydrophobicContact CD2-CD2 3.87Å; L19-L40 HydrophobicContact CG-CD2 4.18Å; L30-L40 HydrophobicContact CD2-CD2 3.99Å; G36-L40 PolarHBondContact O-N 2.91Å; I37-L40 PolarHBondContact O-N 2.87Å; L40-N43 PolarHBondContact O-N 3.21Å; L40-C44 PolarHBondContact O-N 3.1Å; L40-C44 VanDerWaalsContact O-N 3.15Å
41	A	83.7	Confident	85.5	Confident	34 Å²	34	80.7 Å²	80.7	28%	0.281	41%	0.412	S	S	.	.	H	α-helix	trans	-58.3	-50.5	175.7	0	0	0	0	0	111.3	I37 N43 C44 I47	I37-A41 WeakPolarHBondContact O-CB 3.42Å; I37-A41 PolarHBondContact O-N 2.91Å; A41-N43 PolarHBondContact O-N 3.45Å; A41-N43 VanDerWaalsContact O-N 3.14Å; A41-C44 WeakPolarHBondContact O-CB 3.42Å; A41-C44 PolarHBondContact O-N 3.09Å; A41-I47 VanDerWaalsContact C-CD1 3.47Å; A41-I47 HydrophobicContact CB-CD1 3.75Å; A41-I47 WeakPolarHBondContact O-CB 3.25Å; A41-I47 WeakPolarHBondContact O-CD1 3.49Å
42	K	85.3	Confident	85.9	Confident	103 Å²	103	77.7 Å²	77.7	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-25.9	175	-76.2	-176.1	172.7	-165	0	114	K38 K39 K48	K38-K42 WeakPolarHBondContact O-CB 3.33Å; K38-K42 WeakPolarHBondContact O-CG 3.3Å; K38-K42 PolarHBondContact O-N 2.91Å; K39-K42 PolarHBondContact O-N 3.21Å; K42-K48 WeakPolarHBondContact O-CG 3.31Å
43	N	83	Confident	86.4	Confident	95 Å²	95	75.7 Å²	75.7	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-83.9	-14.7	178	-79.3	-38.9	0	0	0	114.1	K39 L40 A41 K48	K39-N43 WeakPolarHBondContact O-CB 3.35Å; K39-N43 VanDerWaalsContact O-CG 3.32Å; K39-N43 PolarHBondContact O-N 3.42Å; K39-N43 PolarHBondContact O-ND2 3.1Å; K39-N43 VanDerWaalsContact O-ND2 3.07Å; L40-N43 PolarHBondContact O-N 3.21Å; A41-N43 PolarHBondContact O-N 3.45Å; A41-N43 VanDerWaalsContact O-N 3.14Å; N43-K48 WeakPolarHBondContact O-CE 3.03Å; N43-K48 PolarHBondContact O-NZ 3.09Å
44	C	83.3	Confident	86.9	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.054	39%	0.392	C	S	.	.	S	Bend	trans	-59.7	131.9	175.3	-176.7	0	0	0	0	110.8	I15 L40 A41 D46 I47 K48	I15-C44 HydrophobicContact CD1-CB 4.33Å; I15-C44 HydrophobicContact CG1-CB 4.07Å; I15-C44 WeakPolarHBondContact CG1-SG 3.33Å; L40-C44 PolarHBondContact O-N 3.1Å; L40-C44 VanDerWaalsContact O-N 3.15Å; A41-C44 WeakPolarHBondContact O-CB 3.42Å; A41-C44 PolarHBondContact O-N 3.09Å; C44-D46 VanDerWaalsContact C-N 3.25Å; C44-D46 PolarHBondContact O-N 3.04Å; C44-I47 HydrophobicContact CB-CB 4.41Å; C44-I47 HydrophobicContact CB-CD1 4.44Å; C44-I47 PolarHBondContact O-N 3.23Å; C44-I47 VanDerWaalsContact O-N 3.13Å; C44-K48 PolarHBondContact O-N 2.94Å
45	P	84.3	Confident	87.4	Confident	68 Å²	68	76 Å²	76	44%	0.442	38%	0.381	S	S	.	.	H	α-helix	trans	-54.5	-36.4	178	-33	43	0	0	0	114.2	E14 K48 K49	E14-P45 VanDerWaalsContact OE2-CB 3.29Å; E14-P45 WeakPolarHBondContact OE2-CB 3.26Å; E14-P45 WeakPolarHBondContact OE2-CD 3.36Å; E14-P45 WeakPolarHBondContact OE2-CG 3.46Å; P45-K48 PolarHBondContact O-N 3.05Å; P45-K49 VanDerWaalsContact O-CB 3.3Å; P45-K49 WeakPolarHBondContact O-CB 3.49Å; P45-K49 PolarHBondContact O-N 2.98Å
46	D	81.1	Confident	87.8	Confident	48 Å²	48	74.2 Å²	74.2	26%	0.257	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-46.7	175.5	-76.4	-9.1	0	0	0	112.4	G11 C44 K49 I50	G11-D46 WeakPolarHBondContact CA-OD2 3.39Å; G11-D46 PolarHBondContact N-OD2 3.04Å; G11-D46 VanDerWaalsContact N-OD2 3.12Å; C44-D46 VanDerWaalsContact C-N 3.25Å; C44-D46 PolarHBondContact O-N 3.04Å; D46-K49 PolarHBondContact O-N 3.03Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.14Å
47	I	86.7	Confident	88.4	Confident	55 Å²	55	77.9 Å²	77.9	28%	0.282	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-40.5	179.4	-71.1	170.9	0	0	0	110.2	A41 C44 K49 I50 E51	A41-I47 VanDerWaalsContact C-CD1 3.47Å; A41-I47 HydrophobicContact CB-CD1 3.75Å; A41-I47 WeakPolarHBondContact O-CB 3.25Å; A41-I47 WeakPolarHBondContact O-CD1 3.49Å; C44-I47 HydrophobicContact CB-CB 4.41Å; C44-I47 HydrophobicContact CB-CD1 4.44Å; C44-I47 PolarHBondContact O-N 3.23Å; C44-I47 VanDerWaalsContact O-N 3.13Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.28Å; I47-I50 PolarHBondContact O-N 2.88Å; I47-E51 HydrophobicContact CG2-CG 4.41Å; I47-E51 WeakPolarHBondContact O-CB 3.46Å; I47-E51 WeakPolarHBondContact O-CG 3.4Å; I47-E51 PolarHBondContact O-N 3.46Å
48	K	89	Confident	88.9	Confident	99 Å²	99	78.6 Å²	78.6	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-59.7	-40.9	172.8	-75.3	176.2	171.1	152.6	0	112.2	K42 N43 C44 P45 E51 S52	K42-K48 WeakPolarHBondContact O-CG 3.31Å; N43-K48 WeakPolarHBondContact O-CE 3.03Å; N43-K48 PolarHBondContact O-NZ 3.09Å; C44-K48 PolarHBondContact O-N 2.94Å; P45-K48 PolarHBondContact O-N 3.05Å; K48-E51 PolarHBondContact O-N 3.04Å; K48-S52 VanDerWaalsContact O-CB 3.3Å; K48-S52 WeakPolarHBondContact O-CB 3.4Å; K48-S52 PolarHBondContact O-N 3.3Å
49	K	89.3	Confident	89.4	Confident	106 Å²	106	77.2 Å²	77.2	46%	0.461	41%	0.405	S	S	.	.	H	α-helix	trans	-64.5	-45.1	176.2	-176	-179.2	176.7	-63.5	0	111	P45 D46 I47 S52 D53	P45-K49 VanDerWaalsContact O-CB 3.3Å; P45-K49 WeakPolarHBondContact O-CB 3.49Å; P45-K49 PolarHBondContact O-N 2.98Å; D46-K49 PolarHBondContact O-N 3.03Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.28Å; K49-S52 PolarHBondContact O-N 3.45Å; K49-D53 IonicContact NZ-OD2 2.76Å; K49-D53 PolarHBondContact NZ-OD2 2.94Å; K49-D53 WeakPolarHBondContact O-CB 3.47Å; K49-D53 VanDerWaalsContact O-CG 3.24Å; K49-D53 PolarHBondContact O-N 3.48Å
50	I	89.6	Confident	89.9	Confident	77 Å²	77	74.6 Å²	74.6	40%	0.395	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-46.1	174.8	-69.9	162.2	0	0	0	111.2	Y6 D46 I47 S52 D53 K54	Y6-I50 HydrophobicContact CE1-CD1 3.83Å; Y6-I50 HydrophobicContact CE1-CG1 3.41Å; Y6-I50 VanDerWaalsContact CE1-CG1 3.41Å; Y6-I50 VanDerWaalsContact OH-CG1 3.32Å; Y6-I50 WeakPolarHBondContact OH-CG1 3.48Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.14Å; I47-I50 PolarHBondContact O-N 2.88Å; I50-S52 VanDerWaalsContact C-N 3.33Å; I50-S52 PolarHBondContact O-N 3.41Å; I50-D53 PolarHBondContact O-N 3.49Å; I50-K54 WeakPolarHBondContact O-CB 3.37Å; I50-K54 PolarHBondContact O-N 2.85Å
51	E	91.2	Very high	90.5	Very high	95 Å²	95	77.5 Å²	77.5	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-40.7	177.7	-74	-173.5	162.3	0	0	111.4	I47 K48 E55	I47-E51 HydrophobicContact CG2-CG 4.41Å; I47-E51 WeakPolarHBondContact O-CB 3.46Å; I47-E51 WeakPolarHBondContact O-CG 3.4Å; I47-E51 PolarHBondContact O-N 3.46Å; K48-E51 PolarHBondContact O-N 3.04Å; E51-E55 WeakPolarHBondContact O-CB 3.41Å; E51-E55 PolarHBondContact O-N 3.47Å
52	S	92.3	Very high	91.2	Very high	78 Å²	78	81.3 Å²	81.3	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-46.4	174.8	-176.6	0	0	0	0	112.7	K48 K49 I50 K54 E55 A56	K48-S52 VanDerWaalsContact O-CB 3.3Å; K48-S52 WeakPolarHBondContact O-CB 3.4Å; K48-S52 PolarHBondContact O-N 3.3Å; K49-S52 PolarHBondContact O-N 3.45Å; I50-S52 VanDerWaalsContact C-N 3.33Å; I50-S52 PolarHBondContact O-N 3.41Å; S52-K54 VanDerWaalsContact C-N 3.31Å; S52-K54 PolarHBondContact O-N 2.79Å; S52-E55 PolarHBondContact O-N 3.3Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.44Å
53	D	93.3	Very high	91.7	Very high	66 Å²	66	82.8 Å²	82.8	35%	0.353	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178	-72.4	-13.9	0	0	0	110.5	Y6 K49 I50 A56 C57	Y6-D53 PolarHBondContact OH-OD2 3.29Å; K49-D53 IonicContact NZ-OD2 2.76Å; K49-D53 PolarHBondContact NZ-OD2 2.94Å; K49-D53 WeakPolarHBondContact O-CB 3.47Å; K49-D53 VanDerWaalsContact O-CG 3.24Å; K49-D53 PolarHBondContact O-N 3.48Å; I50-D53 PolarHBondContact O-N 3.49Å; D53-A56 PolarHBondContact O-N 3.13Å; D53-C57 WeakPolarHBondContact O-CB 3.2Å; D53-C57 PolarHBondContact O-N 3.28Å
54	K	95.7	Very high	92.4	Very high	133 Å²	133	82.8 Å²	82.8	58%	0.578	42%	0.417	S	S	*	.	H	α-helix	trans	-61	-49.7	173.4	177.6	-168.2	171.2	-169.1	0	111	I50 S52 A56 C57 M58	I50-K54 WeakPolarHBondContact O-CB 3.37Å; I50-K54 PolarHBondContact O-N 2.85Å; S52-K54 VanDerWaalsContact C-N 3.31Å; S52-K54 PolarHBondContact O-N 2.79Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 2.7Å; K54-C57 PolarHBondContact O-N 2.98Å; K54-M58 HydrophobicContact CD-SD 4.42Å; K54-M58 HydrophobicContact CG-CG 4.46Å; K54-M58 HydrophobicContact CG-SD 4.04Å; K54-M58 WeakPolarHBondContact O-CB 3.35Å; K54-M58 WeakPolarHBondContact O-CG 3.46Å; K54-M58 PolarHBondContact O-N 3.4Å
55	E	96	Very high	93	Very high	90 Å²	90	84.4 Å²	84.4	42%	0.421	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-40.8	179.5	-174.8	55.6	-146.7	0	0	111.1	E51 S52 C57 M58 N59	E51-E55 WeakPolarHBondContact O-CB 3.41Å; E51-E55 PolarHBondContact O-N 3.47Å; S52-E55 PolarHBondContact O-N 3.3Å; E55-C57 PolarHBondContact O-N 3.05Å; E55-M58 PolarHBondContact O-N 2.68Å; E55-N59 WeakPolarHBondContact O-CB 3.33Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 2.78Å; E55-N59 PolarHBondContact O-ND2 3.38Å; E55-N59 PolarHBondContact OE1-ND2 3.39Å; E55-N59 PolarHBondContact OE1-OD1 2.87Å
56	A	95.9	Very high	93.6	Very high	56 Å²	56	86.6 Å²	86.6	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-45.3	173.6	0	0	0	0	0	112.1	S52 D53 K54 N59 E60	S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.44Å; D53-A56 PolarHBondContact O-N 3.13Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 2.7Å; A56-N59 PolarHBondContact O-N 2.92Å; A56-E60 WeakPolarHBondContact O-CB 3.33Å; A56-E60 PolarHBondContact O-N 3.33Å
57	C	95.6	Very high	94.3	Very high	87 Å²	87	86 Å²	86	59%	0.588	44%	0.438	S	S	*	.	H	α-helix	trans	-64.3	-41.3	176.2	-176.2	0	0	0	0	112.2	D53 K54 E55 E60 N61	D53-C57 WeakPolarHBondContact O-CB 3.2Å; D53-C57 PolarHBondContact O-N 3.28Å; K54-C57 PolarHBondContact O-N 2.98Å; E55-C57 PolarHBondContact O-N 3.05Å; C57-E60 PolarHBondContact O-N 3.25Å; C57-N61 WeakPolarHBondContact O-CB 3.39Å; C57-N61 PolarHBondContact O-N 3.38Å
58	M	97	Very high	94.7	Very high	86 Å²	86	87 Å²	87	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-41.7	176.1	-75.2	-179.4	59.8	0	0	111.8	K54 E55 R62	K54-M58 HydrophobicContact CD-SD 4.42Å; K54-M58 HydrophobicContact CG-CG 4.46Å; K54-M58 HydrophobicContact CG-SD 4.04Å; K54-M58 WeakPolarHBondContact O-CB 3.35Å; K54-M58 WeakPolarHBondContact O-CG 3.46Å; K54-M58 PolarHBondContact O-N 3.4Å; E55-M58 PolarHBondContact O-N 2.68Å; M58-R62 WeakPolarHBondContact O-CB 3.4Å; M58-R62 PolarHBondContact O-N 2.96Å
59	N	96.2	Very high	95	Very high	64 Å²	64	87.2 Å²	87.2	34%	0.342	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-41.1	175.8	-73.4	-35.3	0	0	0	111.8	E55 A56 R62 R63	E55-N59 WeakPolarHBondContact O-CB 3.33Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 2.78Å; E55-N59 PolarHBondContact O-ND2 3.38Å; E55-N59 PolarHBondContact OE1-ND2 3.39Å; E55-N59 PolarHBondContact OE1-OD1 2.87Å; A56-N59 PolarHBondContact O-N 2.92Å; N59-R62 PolarHBondContact O-N 3.24Å; N59-R62 PolarHBondContact OD1-NH1 2.84Å; N59-R63 WeakPolarHBondContact O-CB 3.37Å; N59-R63 PolarHBondContact O-N 2.94Å
60	E	96.1	Very high	95.3	Very high	74 Å²	74	85.9 Å²	85.9	35%	0.346	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-43.1	175.9	177.2	55.3	-162	0	0	112.3	A56 C57 R62 R63 Q64	A56-E60 WeakPolarHBondContact O-CB 3.33Å; A56-E60 PolarHBondContact O-N 3.33Å; C57-E60 PolarHBondContact O-N 3.25Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.92Å; E60-R63 PolarHBondContact O-N 3.5Å; E60-R63 IonicContact OE1-CZ 3.53Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.4Å; E60-R63 PolarHBondContact OE1-NH2 3.49Å; E60-R63 IonicContact OE2-CZ 3.38Å; E60-R63 IonicContact OE2-NE 3.54Å; E60-R63 PolarHBondContact OE2-NE 2.85Å; E60-R63 IonicContact OE2-NH2 2.85Å; E60-R63 PolarHBondContact OE2-NH2 3.31Å; E60-Q64 WeakPolarHBondContact O-CG 3.36Å; E60-Q64 PolarHBondContact O-N 3.47Å; E60-Q64 PolarHBondContact OE1-NE2 2.93Å
61	N	96.7	Very high	95.5	Very high	105 Å²	105	87.5 Å²	87.5	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-60.2	-44.8	174.1	-174.5	-67.2	0	0	0	111	C57 R63 Q64 A65	C57-N61 WeakPolarHBondContact O-CB 3.39Å; C57-N61 PolarHBondContact O-N 3.38Å; N61-R63 PolarHBondContact O-N 3.19Å; N61-Q64 PolarHBondContact O-N 2.91Å; N61-A65 WeakPolarHBondContact O-CB 3.35Å; N61-A65 PolarHBondContact O-N 2.8Å
62	R	97.3	Very high	95.7	Very high	114 Å²	114	85.8 Å²	85.8	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-59.5	-47.7	176	-168.8	-173	-54.9	119.1	8.4	111.2	M58 N59 E60 Q64 A65 E66	M58-R62 WeakPolarHBondContact O-CB 3.4Å; M58-R62 PolarHBondContact O-N 2.96Å; N59-R62 PolarHBondContact O-N 3.24Å; N59-R62 PolarHBondContact OD1-NH1 2.84Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.92Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.4Å; R62-A65 PolarHBondContact O-N 2.84Å; R62-A65 VanDerWaalsContact O-N 3.16Å; R62-E66 WeakPolarHBondContact CD-OE1 3.41Å; R62-E66 HydrophobicContact CG-CG 4.42Å; R62-E66 WeakPolarHBondContact CG-OE1 3.34Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.29Å
63	R	96.6	Very high	95.8	Very high	134 Å²	134	86 Å²	86	51%	0.506	45%	0.451	S	S	.	.	H	α-helix	trans	-57.8	-42.5	176.9	-171.2	-164.4	68.3	73.3	0.1	111.7	N59 E60 N61 A67	N59-R63 WeakPolarHBondContact O-CB 3.37Å; N59-R63 PolarHBondContact O-N 2.94Å; E60-R63 PolarHBondContact O-N 3.5Å; E60-R63 IonicContact OE1-CZ 3.53Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.4Å; E60-R63 PolarHBondContact OE1-NH2 3.49Å; E60-R63 IonicContact OE2-CZ 3.38Å; E60-R63 IonicContact OE2-NE 3.54Å; E60-R63 PolarHBondContact OE2-NE 2.85Å; E60-R63 IonicContact OE2-NH2 2.85Å; E60-R63 PolarHBondContact OE2-NH2 3.31Å; N61-R63 PolarHBondContact O-N 3.19Å; R63-A67 WeakPolarHBondContact O-CB 3.43Å; R63-A67 PolarHBondContact O-N 3.37Å
64	Q	96.8	Very high	95.9	Very high	95 Å²	95	86.2 Å²	86.2	44%	0.444	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-41.6	176.2	-71.2	179.5	27.2	0	0	112.1	E60 N61 R62 A67 N68	E60-Q64 WeakPolarHBondContact O-CG 3.36Å; E60-Q64 PolarHBondContact O-N 3.47Å; E60-Q64 PolarHBondContact OE1-NE2 2.93Å; N61-Q64 PolarHBondContact O-N 2.91Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.4Å; Q64-A67 PolarHBondContact O-N 2.66Å; Q64-N68 WeakPolarHBondContact O-CB 3.43Å; Q64-N68 PolarHBondContact O-N 2.92Å; Q64-N68 PolarHBondContact O-OD1 2.88Å
65	A	96.4	Very high	95.9	Very high	43 Å²	43	85.1 Å²	85.1	36%	0.355	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-44	176.5	0	0	0	0	0	111.6	N61 R62 N68 L69	N61-A65 WeakPolarHBondContact O-CB 3.35Å; N61-A65 PolarHBondContact O-N 2.8Å; R62-A65 PolarHBondContact O-N 2.84Å; R62-A65 VanDerWaalsContact O-N 3.16Å; A65-N68 PolarHBondContact O-N 3.47Å; A65-L69 WeakPolarHBondContact O-CB 3.36Å; A65-L69 VanDerWaalsContact O-CG 3.28Å; A65-L69 WeakPolarHBondContact O-CG 3.44Å; A65-L69 PolarHBondContact O-N 3.33Å
66	E	96.1	Very high	95.9	Very high	114 Å²	114	83.9 Å²	83.9	53%	0.533	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-43.6	175	-73.3	170.7	-175.4	0	0	111.7	R62 L69 S70	R62-E66 WeakPolarHBondContact CD-OE1 3.41Å; R62-E66 HydrophobicContact CG-CG 4.42Å; R62-E66 WeakPolarHBondContact CG-OE1 3.34Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.29Å; E66-L69 PolarHBondContact O-N 3.21Å; E66-S70 WeakPolarHBondContact O-CB 3.44Å; E66-S70 PolarHBondContact O-N 3.15Å
67	A	96.1	Very high	95.9	Very high	35 Å²	35	87 Å²	87	29%	0.289	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-47	174.2	0	0	0	0	0	111.5	R63 Q64 L69 S70 M71	R63-A67 WeakPolarHBondContact O-CB 3.43Å; R63-A67 PolarHBondContact O-N 3.37Å; Q64-A67 PolarHBondContact O-N 2.66Å; A67-L69 PolarHBondContact O-N 3.17Å; A67-S70 PolarHBondContact O-N 3.46Å; A67-S70 VanDerWaalsContact O-N 3.17Å; A67-S70 PolarHBondContact O-OG 3.38Å; A67-M71 WeakPolarHBondContact O-CG 3.28Å; A67-M71 PolarHBondContact O-N 3.42Å; A67-M71 VanDerWaalsContact O-N 3.15Å
68	N	95	Very high	96	Very high	76 Å²	76	87.7 Å²	87.7	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-61.1	-44	177.8	-72.2	-8.8	0	0	0	112.2	Q64 A65 S70 M71 E72 Y208	Q64-N68 WeakPolarHBondContact O-CB 3.43Å; Q64-N68 PolarHBondContact O-N 2.92Å; Q64-N68 PolarHBondContact O-OD1 2.88Å; A65-N68 PolarHBondContact O-N 3.47Å; N68-S70 VanDerWaalsContact C-N 3.3Å; N68-S70 PolarHBondContact O-N 2.84Å; N68-M71 PolarHBondContact O-N 2.89Å; N68-E72 PolarHBondContact O-N 3.2Å; N68-E72 VanDerWaalsContact O-N 3.17Å; N68-Y208 PolarHBondContact O-OH 3.33Å
69	L	96	Very high	95.9	Very high	103 Å²	103	89.2 Å²	89.2	54%	0.539	45%	0.454	S	S	.	.	H	α-helix	trans	-63.6	-35.5	175.9	-73.2	170.6	0	0	0	111.9	A65 E66 A67 M71 P73	A65-L69 WeakPolarHBondContact O-CB 3.36Å; A65-L69 VanDerWaalsContact O-CG 3.28Å; A65-L69 WeakPolarHBondContact O-CG 3.44Å; A65-L69 PolarHBondContact O-N 3.33Å; E66-L69 PolarHBondContact O-N 3.21Å; A67-L69 PolarHBondContact O-N 3.17Å; L69-M71 VanDerWaalsContact C-N 3.27Å; L69-M71 PolarHBondContact O-N 3.16Å; L69-P73 VanDerWaalsContact O-CD 3.31Å; L69-P73 WeakPolarHBondContact O-CD 3.41Å
70	S	94.5	Very high	95.9	Very high	78 Å²	78	90.5 Å²	90.5	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-67.8	-26.9	176.2	78.6	0	0	0	0	113.3	E66 A67 N68 P73	E66-S70 WeakPolarHBondContact O-CB 3.44Å; E66-S70 PolarHBondContact O-N 3.15Å; A67-S70 PolarHBondContact O-N 3.46Å; A67-S70 VanDerWaalsContact O-N 3.17Å; A67-S70 PolarHBondContact O-OG 3.38Å; N68-S70 VanDerWaalsContact C-N 3.3Å; N68-S70 PolarHBondContact O-N 2.84Å; S70-P73 WeakPolarHBondContact O-CD 3.31Å; S70-P73 WeakPolarHBondContact O-CG 3.41Å
71	M	95.5	Very high	96	Very high	111 Å²	111	92.4 Å²	92.4	55%	0.547	47%	0.474	S	S	.	.	H	α-helix	trans	-84.8	-29.1	179.5	-65.4	-178.7	87.9	0	0	112.8	A67 N68 L69 P73 T74 F75	A67-M71 WeakPolarHBondContact O-CG 3.28Å; A67-M71 PolarHBondContact O-N 3.42Å; A67-M71 VanDerWaalsContact O-N 3.15Å; N68-M71 PolarHBondContact O-N 2.89Å; L69-M71 VanDerWaalsContact C-N 3.27Å; L69-M71 PolarHBondContact O-N 3.16Å; M71-P73 VanDerWaalsContact C-CD 3.47Å; M71-T74 PolarHBondContact O-N 3.2Å; M71-T74 VanDerWaalsContact O-N 3.08Å; M71-T74 PolarHBondContact O-OG1 3.48Å; M71-F75 PolarHBondContact O-N 3.32Å
72	E	94.1	Very high	96	Very high	60 Å²	60	91.9 Å²	91.9	28%	0.28	47%	0.471	S	S	.	.	H	α-helix	trans	-46.6	-47.4	178.8	-172.5	176.5	176.9	0	0	115	N68 T74 F75 N76 L207	N68-E72 PolarHBondContact O-N 3.2Å; N68-E72 VanDerWaalsContact O-N 3.17Å; E72-T74 PolarHBondContact O-N 3.45Å; E72-F75 PolarHBondContact O-N 2.95Å; E72-N76 WeakPolarHBondContact CG-ND2 3.44Å; E72-N76 WeakPolarHBondContact O-CB 3.35Å; E72-N76 PolarHBondContact O-N 3.41Å; E72-N76 PolarHBondContact O-ND2 3.04Å; E72-L207 WeakPolarHBondContact OE1-CD2 3.37Å
73	P	94.8	Very high	95.9	Very high	81 Å²	81	89.9 Å²	89.9	53%	0.526	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-41.4	179	23.3	-34.4	0	0	0	112.5	L69 S70 M71 N76 M77	L69-P73 VanDerWaalsContact O-CD 3.31Å; L69-P73 WeakPolarHBondContact O-CD 3.41Å; S70-P73 WeakPolarHBondContact O-CD 3.31Å; S70-P73 WeakPolarHBondContact O-CG 3.41Å; M71-P73 VanDerWaalsContact C-CD 3.47Å; P73-N76 PolarHBondContact O-N 2.72Å; P73-M77 WeakPolarHBondContact O-CB 3.27Å; P73-M77 PolarHBondContact O-N 3.41Å
74	T	95.6	Very high	95.9	Very high	71 Å²	71	89.3 Å²	89.3	44%	0.436	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-39.3	178.1	65.7	0	0	0	0	111.5	M71 E72 M77 I78	M71-T74 PolarHBondContact O-N 3.2Å; M71-T74 VanDerWaalsContact O-N 3.08Å; M71-T74 PolarHBondContact O-OG1 3.48Å; E72-T74 PolarHBondContact O-N 3.45Å; T74-M77 PolarHBondContact O-N 2.95Å; T74-I78 WeakPolarHBondContact O-CG1 3.41Å; T74-I78 PolarHBondContact O-N 3.17Å
75	F	96	Very high	95.9	Very high	110 Å²	110	88.2 Å²	88.2	48%	0.482	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-47.7	175.6	176	-97.4	0	0	0	111.7	M71 E72 M77 I78 K79	M71-F75 PolarHBondContact O-N 3.32Å; E72-F75 PolarHBondContact O-N 2.95Å; F75-M77 VanDerWaalsContact C-N 3.31Å; F75-M77 PolarHBondContact O-N 3.37Å; F75-I78 PolarHBondContact O-N 3.08Å; F75-K79 HydrophobicContact CE1-CD 4.25Å; F75-K79 VanDerWaalsContact O-CB 3.27Å; F75-K79 WeakPolarHBondContact O-CB 3.48Å; F75-K79 PolarHBondContact O-N 3.49Å
76	N	95.8	Very high	95.9	Very high	65 Å²	65	89 Å²	89	35%	0.348	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-35.9	178.8	-75.7	-29.6	0	0	0	112.1	E72 P73 T80	E72-N76 WeakPolarHBondContact CG-ND2 3.44Å; E72-N76 WeakPolarHBondContact O-CB 3.35Å; E72-N76 PolarHBondContact O-N 3.41Å; E72-N76 PolarHBondContact O-ND2 3.04Å; P73-N76 PolarHBondContact O-N 2.72Å; N76-T80 WeakPolarHBondContact O-CB 3.16Å; N76-T80 PolarHBondContact O-N 2.96Å; N76-T80 PolarHBondContact O-OG1 2.9Å
77	M	96.1	Very high	95.9	Very high	121 Å²	121	87 Å²	87	60%	0.596	47%	0.467	S	S	*	.	H	α-helix	trans	-61.8	-54.3	173.8	-177	-177.2	73.2	0	0	111.2	P73 T74 F75 K79 T80 E81	P73-M77 WeakPolarHBondContact O-CB 3.27Å; P73-M77 PolarHBondContact O-N 3.41Å; T74-M77 PolarHBondContact O-N 2.95Å; F75-M77 VanDerWaalsContact C-N 3.31Å; F75-M77 PolarHBondContact O-N 3.37Å; M77-K79 VanDerWaalsContact C-N 3.29Å; M77-K79 PolarHBondContact O-N 3.44Å; M77-T80 PolarHBondContact O-N 3.45Å; M77-T80 VanDerWaalsContact O-N 3.12Å; M77-E81 PolarHBondContact O-N 3.43Å
78	I	96.4	Very high	95.9	Very high	101 Å²	101	90.2 Å²	90.2	52%	0.518	48%	0.479	S	S	.	.	H	α-helix	trans	-60.5	-40.4	178.9	-66.5	167	0	0	0	110.9	T74 F75 T80 E81 L82	T74-I78 WeakPolarHBondContact O-CG1 3.41Å; T74-I78 PolarHBondContact O-N 3.17Å; F75-I78 PolarHBondContact O-N 3.08Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 3.38Å; I78-E81 PolarHBondContact O-N 2.88Å; I78-L82 WeakPolarHBondContact O-CB 3.37Å; I78-L82 PolarHBondContact O-N 3.27Å
79	K	96.5	Very high	96	Very high	118 Å²	118	91.2 Å²	91.2	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-43.9	176.3	-177.7	-179	177	-176.3	0	111.5	F75 M77 L82 V83	F75-K79 HydrophobicContact CE1-CD 4.25Å; F75-K79 VanDerWaalsContact O-CB 3.27Å; F75-K79 WeakPolarHBondContact O-CB 3.48Å; F75-K79 PolarHBondContact O-N 3.49Å; M77-K79 VanDerWaalsContact C-N 3.29Å; M77-K79 PolarHBondContact O-N 3.44Å; K79-L82 PolarHBondContact O-N 3.36Å; K79-V83 VanDerWaalsContact O-CG2 3.32Å; K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 3.47Å
80	T	96.2	Very high	96	Very high	92 Å²	92	89 Å²	89	56%	0.564	46%	0.464	S	S	*	.	H	α-helix	trans	-65.5	-46	178.4	-58.2	0	0	0	0	111	N76 M77 I78 L82 V83 E84	N76-T80 WeakPolarHBondContact O-CB 3.16Å; N76-T80 PolarHBondContact O-N 2.96Å; N76-T80 PolarHBondContact O-OG1 2.9Å; M77-T80 PolarHBondContact O-N 3.45Å; M77-T80 VanDerWaalsContact O-N 3.12Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 3.38Å; T80-L82 VanDerWaalsContact C-N 3.33Å; T80-L82 PolarHBondContact O-N 3.05Å; T80-V83 PolarHBondContact O-N 3.2Å; T80-E84 PolarHBondContact O-N 2.97Å
81	E	96.7	Very high	96.1	Very high	114 Å²	114	90 Å²	90	53%	0.533	46%	0.46	S	S	.	.	H	α-helix	trans	-59.2	-43.1	176.2	-176.6	-178.8	-177.7	0	0	111.7	M77 I78 V83 E84 T85	M77-E81 PolarHBondContact O-N 3.43Å; I78-E81 PolarHBondContact O-N 2.88Å; E81-V83 PolarHBondContact O-N 3.07Å; E81-E84 PolarHBondContact O-N 3.32Å; E81-T85 HydrophobicContact CG-CG2 4.29Å; E81-T85 WeakPolarHBondContact O-CB 3.35Å; E81-T85 VanDerWaalsContact O-CG2 3.26Å; E81-T85 WeakPolarHBondContact O-CG2 3.26Å; E81-T85 PolarHBondContact O-N 3.34Å; E81-T85 PolarHBondContact O-OG1 2.86Å
82	L	96.7	Very high	96.2	Very high	94 Å²	94	90 Å²	90	49%	0.492	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-43	176.6	178.9	61.8	0	0	0	112	I78 K79 T80 T85 Y86	I78-L82 WeakPolarHBondContact O-CB 3.37Å; I78-L82 PolarHBondContact O-N 3.27Å; K79-L82 PolarHBondContact O-N 3.36Å; T80-L82 VanDerWaalsContact C-N 3.33Å; T80-L82 PolarHBondContact O-N 3.05Å; L82-T85 WeakPolarHBondContact CA-OG1 3.48Å; L82-T85 PolarHBondContact O-OG1 3.35Å; L82-T85 VanDerWaalsContact O-OG1 3.05Å; L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.79Å
83	V	96.5	Very high	96.3	Very high	72 Å²	72	89.2 Å²	89.2	44%	0.436	46%	0.458	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.9	170.2	0	0	0	0	110.8	K79 T80 E81 S87	K79-V83 VanDerWaalsContact O-CG2 3.32Å; K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 3.47Å; T80-V83 PolarHBondContact O-N 3.2Å; E81-V83 PolarHBondContact O-N 3.07Å; V83-S87 WeakPolarHBondContact O-CB 3.32Å; V83-S87 PolarHBondContact O-N 2.94Å
84	E	96.2	Very high	96.3	Very high	121 Å²	121	90.5 Å²	90.5	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-65	-49.6	178.9	-175.5	177.9	-176.2	0	0	111.9	T80 E81 Y86 S87 N88	T80-E84 PolarHBondContact O-N 2.97Å; E81-E84 PolarHBondContact O-N 3.32Å; E84-Y86 VanDerWaalsContact C-N 3.34Å; E84-Y86 PolarHBondContact O-N 3.41Å; E84-S87 PolarHBondContact O-N 3.42Å; E84-N88 PolarHBondContact O-N 3.46Å
85	T	96.7	Very high	96.3	Very high	72 Å²	72	92 Å²	92	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-41.3	178.3	52	0	0	0	0	111.8	E81 L82 N88 Y89	E81-T85 HydrophobicContact CG-CG2 4.29Å; E81-T85 WeakPolarHBondContact O-CB 3.35Å; E81-T85 VanDerWaalsContact O-CG2 3.26Å; E81-T85 WeakPolarHBondContact O-CG2 3.26Å; E81-T85 PolarHBondContact O-N 3.34Å; E81-T85 PolarHBondContact O-OG1 2.86Å; L82-T85 WeakPolarHBondContact CA-OG1 3.48Å; L82-T85 PolarHBondContact O-OG1 3.35Å; L82-T85 VanDerWaalsContact O-OG1 3.05Å; T85-N88 PolarHBondContact O-N 2.88Å; T85-Y89 WeakPolarHBondContact O-CB 3.44Å; T85-Y89 PolarHBondContact O-N 3.35Å
86	Y	96.8	Very high	96.4	Very high	59 Å²	59	92.2 Å²	92.2	23%	0.231	46%	0.46	C	S	.	.	H	α-helix	trans	-66.4	-40	175.3	-176.5	-103.9	0	0	0	112.3	L82 E84 Y89 K90 V191 P192	L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.79Å; E84-Y86 VanDerWaalsContact C-N 3.34Å; E84-Y86 PolarHBondContact O-N 3.41Å; Y86-Y89 HydrophobicContact CE2-CD1 4.48Å; Y86-Y89 PolarHBondContact O-N 2.81Å; Y86-K90 HydrophobicContact CD1-CG 4.31Å; Y86-K90 HydrophobicContact CE1-CG 3.91Å; Y86-K90 HydrophobicContact CE2-CG 4.41Å; Y86-K90 VanDerWaalsContact CZ-CE 3.43Å; Y86-K90 WeakPolarHBondContact O-CG 3.46Å; Y86-K90 PolarHBondContact O-N 3.03Å; Y86-K90 WeakPolarHBondContact OH-CE 3.36Å; Y86-V191 WeakPolarHBondContact OH-CG1 3.08Å; Y86-P192 HydrophobicContact CD2-CG 3.93Å; Y86-P192 HydrophobicContact CE2-CG 3.97Å
87	S	95.7	Very high	96.4	Very high	73 Å²	73	92.9 Å²	92.9	51%	0.51	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-43	175.1	-169.5	0	0	0	0	111.5	V83 E84 K90 Q91	V83-S87 WeakPolarHBondContact O-CB 3.32Å; V83-S87 PolarHBondContact O-N 2.94Å; E84-S87 PolarHBondContact O-N 3.42Å; S87-K90 PolarHBondContact O-N 3.03Å; S87-Q91 PolarHBondContact O-N 3.39Å
88	N	96.6	Very high	96.4	Very high	103 Å²	103	93.7 Å²	93.7	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-63	-43.7	175.1	-86	-22.2	0	0	0	111.9	E84 T85 K90 Q91 L92	E84-N88 PolarHBondContact O-N 3.46Å; T85-N88 PolarHBondContact O-N 2.88Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 3.47Å; N88-Q91 PolarHBondContact O-N 3.12Å; N88-L92 PolarHBondContact O-N 2.96Å
89	Y	96.7	Very high	96.4	Very high	97 Å²	97	96.3 Å²	96.3	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-56.2	-46.9	173.7	166.9	-95.6	0	0	0	111.3	T85 Y86 Q91 L92 E93	T85-Y89 WeakPolarHBondContact O-CB 3.44Å; T85-Y89 PolarHBondContact O-N 3.35Å; Y86-Y89 HydrophobicContact CE2-CD1 4.48Å; Y86-Y89 PolarHBondContact O-N 2.81Å; Y89-Q91 PolarHBondContact O-N 3.01Å; Y89-L92 PolarHBondContact O-N 2.89Å; Y89-E93 WeakPolarHBondContact O-CB 3.32Å; Y89-E93 PolarHBondContact O-N 3.27Å; Y89-E93 PolarHBondContact OH-OE1 3.16Å
90	K	96.6	Very high	96.4	Very high	57 Å²	57	92.5 Å²	92.5	25%	0.248	45%	0.449	C	S	.	.	H	α-helix	trans	-64	-39.2	179.5	-75.6	-66.7	172.9	-167.8	0	113	Y86 S87 N88 E93 I94	Y86-K90 HydrophobicContact CD1-CG 4.31Å; Y86-K90 HydrophobicContact CE1-CG 3.91Å; Y86-K90 HydrophobicContact CE2-CG 4.41Å; Y86-K90 VanDerWaalsContact CZ-CE 3.43Å; Y86-K90 WeakPolarHBondContact O-CG 3.46Å; Y86-K90 PolarHBondContact O-N 3.03Å; Y86-K90 WeakPolarHBondContact OH-CE 3.36Å; S87-K90 PolarHBondContact O-N 3.03Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 3.47Å; K90-E93 VanDerWaalsContact CD-OE2 3.32Å; K90-E93 WeakPolarHBondContact CD-OE2 3.25Å; K90-E93 IonicContact NZ-OE1 2.62Å; K90-E93 IonicContact NZ-OE2 3.2Å; K90-E93 PolarHBondContact NZ-OE2 3.43Å; K90-E93 PolarHBondContact O-N 3.48Å; K90-I94 WeakPolarHBondContact O-CG1 3.44Å; K90-I94 PolarHBondContact O-N 3.41Å; K90-I94 VanDerWaalsContact O-N 3.12Å
91	Q	96.3	Very high	96.3	Very high	98 Å²	98	91.8 Å²	91.8	46%	0.458	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.1	-177.3	58.4	28	0	0	111.4	S87 N88 Y89 E93 I94 E95	S87-Q91 PolarHBondContact O-N 3.39Å; N88-Q91 PolarHBondContact O-N 3.12Å; Y89-Q91 PolarHBondContact O-N 3.01Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 2.9Å; Q91-I94 PolarHBondContact O-N 3.2Å; Q91-E95 PolarHBondContact NE2-OE1 3.03Å; Q91-E95 PolarHBondContact O-N 2.93Å
92	L	96.7	Very high	96.2	Very high	112 Å²	112	89.8 Å²	89.8	59%	0.586	44%	0.438	S	S	*	.	H	α-helix	trans	-65.5	-36.8	178.7	-172.4	63.5	0	0	0	112.4	N88 Y89 E95 Y96	N88-L92 PolarHBondContact O-N 2.96Å; Y89-L92 PolarHBondContact O-N 2.89Å; L92-E95 PolarHBondContact O-N 3.06Å; L92-Y96 VanDerWaalsContact O-CB 3.3Å; L92-Y96 WeakPolarHBondContact O-CB 3.47Å; L92-Y96 PolarHBondContact O-N 3.34Å
93	E	95.6	Very high	96.1	Very high	43 Å²	43	88 Å²	88	20%	0.201	43%	0.431	C	S	.	.	H	α-helix	trans	-59.9	-45.2	174.2	-178	175.6	-117.9	0	0	111	Y89 K90 Q91 Y96 M97	Y89-E93 WeakPolarHBondContact O-CB 3.32Å; Y89-E93 PolarHBondContact O-N 3.27Å; Y89-E93 PolarHBondContact OH-OE1 3.16Å; K90-E93 VanDerWaalsContact CD-OE2 3.32Å; K90-E93 WeakPolarHBondContact CD-OE2 3.25Å; K90-E93 IonicContact NZ-OE1 2.62Å; K90-E93 IonicContact NZ-OE2 3.2Å; K90-E93 PolarHBondContact NZ-OE2 3.43Å; K90-E93 PolarHBondContact O-N 3.48Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 2.9Å; E93-Y96 PolarHBondContact O-N 3.35Å; E93-M97 WeakPolarHBondContact O-CB 3.03Å; E93-M97 VanDerWaalsContact O-CG 3.25Å; E93-M97 WeakPolarHBondContact O-CG 3.3Å; E93-M97 PolarHBondContact O-N 2.94Å
94	I	95.6	Very high	95.9	Very high	107 Å²	107	87.5 Å²	87.5	55%	0.549	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176.4	-67.8	165.2	0	0	0	111	K90 Q91 M97 K98	K90-I94 WeakPolarHBondContact O-CG1 3.44Å; K90-I94 PolarHBondContact O-N 3.41Å; K90-I94 VanDerWaalsContact O-N 3.12Å; Q91-I94 PolarHBondContact O-N 3.2Å; I94-M97 PolarHBondContact O-N 3.29Å; I94-K98 WeakPolarHBondContact O-CB 3.39Å; I94-K98 PolarHBondContact O-N 2.89Å
95	E	96.9	Very high	95.7	Very high	104 Å²	104	85.3 Å²	85.3	49%	0.486	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-42.9	178.9	-73	179.7	-168	0	0	112.3	Q91 L92 K98 R99	Q91-E95 PolarHBondContact NE2-OE1 3.03Å; Q91-E95 PolarHBondContact O-N 2.93Å; L92-E95 PolarHBondContact O-N 3.06Å; E95-K98 PolarHBondContact O-N 2.94Å; E95-R99 WeakPolarHBondContact O-CB 3.44Å; E95-R99 PolarHBondContact O-N 2.72Å
96	Y	97	Very high	95.4	Very high	114 Å²	114	86.6 Å²	86.6	45%	0.447	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-47.4	174.7	169.6	-101	0	0	0	111.5	L92 E93 K98 R99 K100 H187	L92-Y96 VanDerWaalsContact O-CB 3.3Å; L92-Y96 WeakPolarHBondContact O-CB 3.47Å; L92-Y96 PolarHBondContact O-N 3.34Å; E93-Y96 PolarHBondContact O-N 3.35Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.83Å; Y96-R99 PolarHBondContact O-N 3.29Å; Y96-K100 HydrophobicContact CE1-CD 4.24Å; Y96-K100 VanDerWaalsContact O-CB 3.28Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.44Å; Y96-H187 AromaticContact CE1-NE2 3.71Å
97	M	95.4	Very high	95.1	Very high	79 Å²	79	85.9 Å²	85.9	39%	0.389	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-38.4	179.5	-69.6	-59.3	164.2	0	0	112.1	E93 I94 S101	E93-M97 WeakPolarHBondContact O-CB 3.03Å; E93-M97 VanDerWaalsContact O-CG 3.25Å; E93-M97 WeakPolarHBondContact O-CG 3.3Å; E93-M97 PolarHBondContact O-N 2.94Å; I94-M97 PolarHBondContact O-N 3.29Å; M97-S101 WeakPolarHBondContact O-CB 3.49Å; M97-S101 PolarHBondContact O-N 2.82Å
98	K	96.8	Very high	94.8	Very high	138 Å²	138	86.4 Å²	86.4	60%	0.6	43%	0.432	S	S	*	.	H	α-helix	trans	-59.6	-50.7	171.9	-179.9	-176.2	174.8	-174.1	0	110.9	I94 E95 Y96 K100 S101 E102	I94-K98 WeakPolarHBondContact O-CB 3.39Å; I94-K98 PolarHBondContact O-N 2.89Å; E95-K98 PolarHBondContact O-N 2.94Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.83Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.31Å; K98-S101 WeakPolarHBondContact O-CB 3.34Å; K98-S101 PolarHBondContact O-N 2.91Å; K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 WeakPolarHBondContact O-CG 3.01Å; K98-E102 PolarHBondContact O-N 3.16Å
99	R	96.2	Very high	94.5	Very high	155 Å²	155	87.2 Å²	87.2	59%	0.585	43%	0.431	S	S	*	.	H	α-helix	trans	-64.6	-39.5	-178.5	-171.8	57.5	171.5	173.8	-1.1	112.2	E95 Y96 E102 V103	E95-R99 WeakPolarHBondContact O-CB 3.44Å; E95-R99 PolarHBondContact O-N 2.72Å; Y96-R99 PolarHBondContact O-N 3.29Å; R99-E102 WeakPolarHBondContact CD-OE2 3.14Å; R99-E102 IonicContact CZ-OE2 3.96Å; R99-E102 IonicContact NH1-OE2 3.03Å; R99-E102 PolarHBondContact NH1-OE2 3.39Å; R99-E102 WeakPolarHBondContact O-CB 3.45Å; R99-E102 PolarHBondContact O-N 3.42Å; R99-V103 WeakPolarHBondContact O-CG2 3.47Å; R99-V103 PolarHBondContact O-N 2.97Å
100	K	95.7	Very high	94.2	Very high	38 Å²	38	90.4 Å²	90.4	17%	0.165	44%	0.443	C	S	.	.	H	α-helix	trans	-59.7	-47.3	173.7	176.9	169.1	170.4	47.6	0	111.2	Y96 K98 E102 V103 D104 N184	Y96-K100 HydrophobicContact CE1-CD 4.24Å; Y96-K100 VanDerWaalsContact O-CB 3.28Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.44Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.31Å; K100-E102 VanDerWaalsContact C-N 3.34Å; K100-E102 PolarHBondContact O-N 3.27Å; K100-V103 PolarHBondContact O-N 2.95Å; K100-D104 WeakPolarHBondContact CG-OD2 3.28Å; K100-D104 IonicContact NZ-OD1 2.72Å; K100-D104 IonicContact NZ-OD2 3.6Å; K100-D104 PolarHBondContact NZ-OD2 3.1Å; K100-D104 WeakPolarHBondContact O-CB 3.47Å; K100-D104 VanDerWaalsContact O-CG 3.28Å; K100-D104 PolarHBondContact O-N 3.27Å; K100-N184 WeakPolarHBondContact CE-OD1 3.37Å; K100-N184 PolarHBondContact NZ-OD1 3.38Å; K100-N184 VanDerWaalsContact NZ-OD1 3.07Å
101	S	94.5	Very high	94	Very high	78 Å²	78	88.5 Å²	88.5	55%	0.545	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-41	176	-176.2	0	0	0	0	112.5	M97 K98 D104 N105	M97-S101 WeakPolarHBondContact O-CB 3.49Å; M97-S101 PolarHBondContact O-N 2.82Å; K98-S101 WeakPolarHBondContact O-CB 3.34Å; K98-S101 PolarHBondContact O-N 2.91Å; S101-D104 PolarHBondContact O-N 3.43Å; S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.41Å; S101-N105 PolarHBondContact O-N 2.85Å
102	E	95.3	Very high	93.7	Very high	72 Å²	72	85 Å²	85	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-45.8	173.9	-70.9	171.1	-172	0	0	112.1	K98 R99 K100 N105 I106	K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 WeakPolarHBondContact O-CG 3.01Å; K98-E102 PolarHBondContact O-N 3.16Å; R99-E102 WeakPolarHBondContact CD-OE2 3.14Å; R99-E102 IonicContact CZ-OE2 3.96Å; R99-E102 IonicContact NH1-OE2 3.03Å; R99-E102 PolarHBondContact NH1-OE2 3.39Å; R99-E102 WeakPolarHBondContact O-CB 3.45Å; R99-E102 PolarHBondContact O-N 3.42Å; K100-E102 VanDerWaalsContact C-N 3.34Å; K100-E102 PolarHBondContact O-N 3.27Å; E102-N105 PolarHBondContact O-N 3.05Å; E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 3.05Å
103	V	93.6	Very high	93.5	Very high	56 Å²	56	83.2 Å²	83.2	34%	0.339	42%	0.42	S	S	.	.	H	α-helix	trans	-65	-45.2	177.6	171.1	0	0	0	0	111.2	R99 K100 N105 I106 G107 F182	R99-V103 WeakPolarHBondContact O-CG2 3.47Å; R99-V103 PolarHBondContact O-N 2.97Å; K100-V103 PolarHBondContact O-N 2.95Å; V103-N105 VanDerWaalsContact C-N 3.32Å; V103-N105 PolarHBondContact O-N 3.34Å; V103-I106 PolarHBondContact O-N 3.46Å; V103-G107 PolarHBondContact O-N 3.12Å; V103-F182 HydrophobicContact CG1-CD2 4.42Å; V103-F182 HydrophobicContact CG1-CE2 3.88Å
104	D	92.3	Very high	93.5	Very high	61 Å²	61	83.8 Å²	83.8	33%	0.326	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-36.6	179.3	-69.6	-21.1	0	0	0	110.8	K100 S101 G107 T108	K100-D104 WeakPolarHBondContact CG-OD2 3.28Å; K100-D104 IonicContact NZ-OD1 2.72Å; K100-D104 IonicContact NZ-OD2 3.6Å; K100-D104 PolarHBondContact NZ-OD2 3.1Å; K100-D104 WeakPolarHBondContact O-CB 3.47Å; K100-D104 VanDerWaalsContact O-CG 3.28Å; K100-D104 PolarHBondContact O-N 3.27Å; S101-D104 PolarHBondContact O-N 3.43Å; D104-G107 PolarHBondContact O-N 3.36Å; D104-T108 WeakPolarHBondContact O-CB 3.47Å; D104-T108 VanDerWaalsContact O-CG2 3.27Å; D104-T108 WeakPolarHBondContact O-CG2 3.47Å; D104-T108 PolarHBondContact O-N 2.85Å; D104-T108 PolarHBondContact O-OG1 2.99Å
105	N	92.4	Very high	93.5	Very high	76 Å²	76	82 Å²	82	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-39.4	173.5	-175.3	41.5	0	0	0	112.8	S101 E102 V103 T108 K109	S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.41Å; S101-N105 PolarHBondContact O-N 2.85Å; E102-N105 PolarHBondContact O-N 3.05Å; V103-N105 VanDerWaalsContact C-N 3.32Å; V103-N105 PolarHBondContact O-N 3.34Å; N105-T108 WeakPolarHBondContact CA-OG1 3.31Å; N105-T108 PolarHBondContact O-OG1 3.07Å; N105-K109 PolarHBondContact ND2-NZ 3.49Å; N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.43Å; N105-K109 PolarHBondContact O-N 3.03Å; N105-K109 VanDerWaalsContact OD1-CE 3.3Å; N105-K109 WeakPolarHBondContact OD1-CE 3.5Å
106	I	91.8	Very high	93.4	Very high	98 Å²	98	78.2 Å²	78.2	50%	0.503	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-45.7	174.3	-67.4	167.8	0	0	0	109.7	E102 V103 T108 K109 Y110	E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 3.05Å; V103-I106 PolarHBondContact O-N 3.46Å; I106-T108 VanDerWaalsContact C-N 3.29Å; I106-T108 PolarHBondContact O-N 3.26Å; I106-K109 PolarHBondContact O-N 3.31Å; I106-Y110 HydrophobicContact CG2-CD2 3.91Å; I106-Y110 HydrophobicContact CG2-CE2 4.44Å; I106-Y110 WeakPolarHBondContact O-CD2 3.33Å; I106-Y110 PolarHBondContact O-N 3.46Å
107	G	89.7	Confident	93.4	Very high	45 Å²	45	75 Å²	75	46%	0.464	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-37.2	178.6	0	0	0	0	0	113	V103 D104 S111	V103-G107 PolarHBondContact O-N 3.12Å; D104-G107 PolarHBondContact O-N 3.36Å; G107-S111 WeakPolarHBondContact O-CA 3.25Å; G107-S111 VanDerWaalsContact O-CB 3.31Å; G107-S111 WeakPolarHBondContact O-CB 3.26Å; G107-S111 PolarHBondContact O-N 3.02Å
108	T	89.7	Confident	93.5	Very high	84 Å²	84	76.6 Å²	76.6	52%	0.515	41%	0.407	S	S	.	.	H	α-helix	trans	-72.4	-48.6	175.2	49.8	0	0	0	0	112.2	D104 N105 I106 Y110 S111	D104-T108 WeakPolarHBondContact O-CB 3.47Å; D104-T108 VanDerWaalsContact O-CG2 3.27Å; D104-T108 WeakPolarHBondContact O-CG2 3.47Å; D104-T108 PolarHBondContact O-N 2.85Å; D104-T108 PolarHBondContact O-OG1 2.99Å; N105-T108 WeakPolarHBondContact CA-OG1 3.31Å; N105-T108 PolarHBondContact O-OG1 3.07Å; I106-T108 VanDerWaalsContact C-N 3.29Å; I106-T108 PolarHBondContact O-N 3.26Å; T108-Y110 VanDerWaalsContact C-N 3.32Å; T108-Y110 PolarHBondContact O-N 3.47Å; T108-S111 PolarHBondContact O-N 2.72Å; T108-S111 PolarHBondContact O-OG 3.47Å
109	K	90.4	Very high	93.5	Very high	120 Å²	120	72 Å²	72	52%	0.522	39%	0.388	S	S	.	.	H	α-helix	trans	-59.6	-38.8	179	-77.2	176.5	178.5	179.4	0	113.7	N105 I106 V114	N105-K109 PolarHBondContact ND2-NZ 3.49Å; N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.43Å; N105-K109 PolarHBondContact O-N 3.03Å; N105-K109 VanDerWaalsContact OD1-CE 3.3Å; N105-K109 WeakPolarHBondContact OD1-CE 3.5Å; I106-K109 PolarHBondContact O-N 3.31Å; K109-V114 WeakPolarHBondContact O-CG1 3.35Å
110	Y	90.2	Very high	93.5	Very high	163 Å²	163	69.5 Å²	69.5	64%	0.639	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	22.7	-178.4	-61.5	-79	0	0	0	112.3	I106 T108 I115	I106-Y110 HydrophobicContact CG2-CD2 3.91Å; I106-Y110 HydrophobicContact CG2-CE2 4.44Å; I106-Y110 WeakPolarHBondContact O-CD2 3.33Å; I106-Y110 PolarHBondContact O-N 3.46Å; T108-Y110 VanDerWaalsContact C-N 3.32Å; T108-Y110 PolarHBondContact O-N 3.47Å; Y110-I115 WeakPolarHBondContact O-CD1 3.35Å
111	S	91.3	Very high	93.6	Very high	18 Å²	18	71.4 Å²	71.4	13%	0.126	40%	0.399	C	S	.	.			trans	-61.5	141.5	172.9	60.8	0	0	0	0	109.5	G107 T108 S113 V114 I115	G107-S111 WeakPolarHBondContact O-CA 3.25Å; G107-S111 VanDerWaalsContact O-CB 3.31Å; G107-S111 WeakPolarHBondContact O-CB 3.26Å; G107-S111 PolarHBondContact O-N 3.02Å; T108-S111 PolarHBondContact O-N 2.72Å; T108-S111 PolarHBondContact O-OG 3.47Å; S111-S113 PolarHBondContact O-N 2.81Å; S111-S113 VanDerWaalsContact O-N 3.12Å; S111-S113 PolarHBondContact OG-OG 3.12Å; S111-V114 PolarHBondContact O-N 2.88Å; S111-V114 WeakPolarHBondContact OG-CB 3.09Å; S111-V114 WeakPolarHBondContact OG-CG2 3.34Å; S111-V114 PolarHBondContact OG-N 3.09Å; S111-I115 WeakPolarHBondContact O-CG1 3.31Å; S111-I115 PolarHBondContact O-N 3.04Å
112	P	91.8	Very high	93.8	Very high	23 Å²	23	68.8 Å²	68.8	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-54.7	-34.6	-178.5	-27.5	34.5	0	0	0	113.3	L116 I172 I177	P112-L116 VanDerWaalsContact O-CB 3.31Å; P112-L116 WeakPolarHBondContact O-CB 3.49Å; P112-L116 PolarHBondContact O-N 3.45Å; P112-I172 HydrophobicContact CB-CD1 3.74Å; P112-I172 HydrophobicContact CB-CG1 3.79Å; P112-I177 HydrophobicContact CB-CD1 4.2Å; P112-I177 HydrophobicContact CB-CG2 4.23Å; P112-I177 HydrophobicContact CG-CB 4.32Å; P112-I177 HydrophobicContact CG-CD1 4.43Å; P112-I177 HydrophobicContact CG-CG2 3.39Å
113	S	92.2	Very high	93.9	Very high	75 Å²	75	66.2 Å²	66.2	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-66.9	-43.3	175.5	49.9	0	0	0	0	112.7	S111 L116 A117	S111-S113 PolarHBondContact O-N 2.81Å; S111-S113 VanDerWaalsContact O-N 3.12Å; S111-S113 PolarHBondContact OG-OG 3.12Å; S113-L116 PolarHBondContact O-N 3.23Å; S113-A117 WeakPolarHBondContact O-CB 3.31Å; S113-A117 PolarHBondContact O-N 3.32Å
114	V	94.5	Very high	94.1	Very high	55 Å²	55	66 Å²	66	33%	0.333	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-43.8	175.1	170.3	0	0	0	0	110.6	K109 S111 L116 A117 L118	K109-V114 WeakPolarHBondContact O-CG1 3.35Å; S111-V114 PolarHBondContact O-N 2.88Å; S111-V114 WeakPolarHBondContact OG-CB 3.09Å; S111-V114 WeakPolarHBondContact OG-CG2 3.34Å; S111-V114 PolarHBondContact OG-N 3.09Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.23Å; V114-A117 PolarHBondContact O-N 3.39Å; V114-L118 HydrophobicContact CG1-CD1 4.01Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.4Å
115	I	95.1	Very high	94.4	Very high	71 Å²	71	68.1 Å²	68.1	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-44.4	176.4	-65.5	171.4	0	0	0	110.6	Y110 S111 L118 L119 L168	Y110-I115 WeakPolarHBondContact O-CD1 3.35Å; S111-I115 WeakPolarHBondContact O-CG1 3.31Å; S111-I115 PolarHBondContact O-N 3.04Å; I115-L118 PolarHBondContact O-N 3.01Å; I115-L119 VanDerWaalsContact O-CB 3.29Å; I115-L119 WeakPolarHBondContact O-CB 3.38Å; I115-L119 PolarHBondContact O-N 2.98Å; I115-L168 HydrophobicContact CB-CD2 4.43Å; I115-L168 HydrophobicContact CG2-CD2 3.95Å
116	L	95.8	Very high	94.6	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-46.9	176.6	178.1	60.5	0	0	0	111.5	P112 S113 V114 L119 Q120 C165 L168 A169 I172	P112-L116 VanDerWaalsContact O-CB 3.31Å; P112-L116 WeakPolarHBondContact O-CB 3.49Å; P112-L116 PolarHBondContact O-N 3.45Å; S113-L116 PolarHBondContact O-N 3.23Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.23Å; L116-L119 PolarHBondContact O-N 2.93Å; L116-Q120 HydrophobicContact CD1-CG 4.19Å; L116-Q120 HydrophobicContact CG-CG 4.48Å; L116-Q120 WeakPolarHBondContact O-CB 3.25Å; L116-Q120 VanDerWaalsContact O-CG 3.3Å; L116-Q120 WeakPolarHBondContact O-CG 3.37Å; L116-Q120 PolarHBondContact O-N 3.45Å; L116-C165 HydrophobicContact CD1-CB 4.07Å; L116-C165 WeakPolarHBondContact CD1-O 3.11Å; L116-L168 HydrophobicContact CB-CD2 3.77Å; L116-L168 HydrophobicContact CB-CG 4.25Å; L116-L168 HydrophobicContact CD1-CB 4.33Å; L116-L168 HydrophobicContact CD1-CD2 4.25Å; L116-L168 HydrophobicContact CD1-CG 4.38Å; L116-A169 HydrophobicContact CD1-CB 4.43Å; L116-A169 HydrophobicContact CD2-CB 3.97Å; L116-I172 HydrophobicContact CB-CD1 4.21Å; L116-I172 HydrophobicContact CD2-CD1 3.96Å
117	A	96.3	Very high	94.9	Very high	48 Å²	48	62.9 Å²	62.9	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-46.9	178.7	0	0	0	0	0	111.9	S113 V114 L119 Q120 T121	S113-A117 WeakPolarHBondContact O-CB 3.31Å; S113-A117 PolarHBondContact O-N 3.32Å; V114-A117 PolarHBondContact O-N 3.39Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 2.93Å; A117-Q120 PolarHBondContact O-N 3.06Å; A117-T121 PolarHBondContact O-N 3.19Å; A117-T121 PolarHBondContact O-OG1 2.95Å; A117-T121 VanDerWaalsContact O-OG1 3.14Å
118	L	97	Very high	95.2	Very high	112 Å²	112	67.1 Å²	67.1	59%	0.586	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-40.8	176.3	-70.1	173.6	0	0	0	112.1	V114 I115 T121 A122	V114-L118 HydrophobicContact CG1-CD1 4.01Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.36Å; V114-L118 PolarHBondContact O-N 3.4Å; I115-L118 PolarHBondContact O-N 3.01Å; L118-T121 PolarHBondContact O-N 2.84Å; L118-A122 WeakPolarHBondContact O-CB 3.3Å; L118-A122 PolarHBondContact O-N 2.95Å
119	L	96.8	Very high	95.6	Very high	40 Å²	40	68.1 Å²	68.1	21%	0.209	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-38.2	178.3	-172.4	65.1	0	0	0	111.8	I115 L116 A117 A122 N123 R161 K164 C165	I115-L119 VanDerWaalsContact O-CB 3.29Å; I115-L119 WeakPolarHBondContact O-CB 3.38Å; I115-L119 PolarHBondContact O-N 2.98Å; L116-L119 PolarHBondContact O-N 2.93Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 2.93Å; L119-A122 PolarHBondContact O-N 2.94Å; L119-N123 WeakPolarHBondContact O-CB 3.46Å; L119-N123 PolarHBondContact O-N 3.43Å; L119-R161 HydrophobicContact CD1-CB 4.4Å; L119-R161 HydrophobicContact CD1-CG 4.17Å; L119-K164 HydrophobicContact CD2-CB 3.72Å; L119-C165 HydrophobicContact CD2-CB 4.49Å; L119-C165 WeakPolarHBondContact CG-SG 3.25Å
120	Q	97.8	Very high	95.9	Very high	103 Å²	103	62.4 Å²	62.4	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-43.6	173.5	-74.9	173.9	-30	0	0	111.5	L116 A117 N123 A124 C165	L116-Q120 HydrophobicContact CD1-CG 4.19Å; L116-Q120 HydrophobicContact CG-CG 4.48Å; L116-Q120 WeakPolarHBondContact O-CB 3.25Å; L116-Q120 VanDerWaalsContact O-CG 3.3Å; L116-Q120 WeakPolarHBondContact O-CG 3.37Å; L116-Q120 PolarHBondContact O-N 3.45Å; A117-Q120 PolarHBondContact O-N 3.06Å; Q120-N123 WeakPolarHBondContact O-CB 3.27Å; Q120-N123 PolarHBondContact O-N 2.83Å; Q120-A124 PolarHBondContact O-N 3.43Å; Q120-C165 HydrophobicContact CG-CB 4.36Å
121	T	98.1	Very high	96.2	Very high	79 Å²	79	59.7 Å²	59.7	49%	0.485	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-47.2	173.1	-57.4	0	0	0	0	111.4	A117 L118 N123 A124 Q125	A117-T121 PolarHBondContact O-N 3.19Å; A117-T121 PolarHBondContact O-OG1 2.95Å; A117-T121 VanDerWaalsContact O-OG1 3.14Å; L118-T121 PolarHBondContact O-N 2.84Å; T121-N123 VanDerWaalsContact C-N 3.28Å; T121-N123 PolarHBondContact O-N 2.92Å; T121-A124 PolarHBondContact O-N 3.22Å; T121-Q125 WeakPolarHBondContact O-CG 3.27Å; T121-Q125 PolarHBondContact O-N 2.76Å
122	A	97.8	Very high	96.4	Very high	22 Å²	22	63.5 Å²	63.5	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-29.9	177.9	0	0	0	0	0	112.9	L118 L119 A126 R161	L118-A122 WeakPolarHBondContact O-CB 3.3Å; L118-A122 PolarHBondContact O-N 2.95Å; L119-A122 PolarHBondContact O-N 2.94Å; A122-A126 PolarHBondContact O-N 3.41Å; A122-R161 PolarHBondContact O-NH1 3.37Å
123	N	98	Very high	96.6	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.102	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-49.7	172.1	-175.5	78.6	0	0	0	111	L119 Q120 T121 Q125 A126 E127 C158 R161 R162	L119-N123 WeakPolarHBondContact O-CB 3.46Å; L119-N123 PolarHBondContact O-N 3.43Å; Q120-N123 WeakPolarHBondContact O-CB 3.27Å; Q120-N123 PolarHBondContact O-N 2.83Å; T121-N123 VanDerWaalsContact C-N 3.28Å; T121-N123 PolarHBondContact O-N 2.92Å; N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 2.98Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 VanDerWaalsContact O-N 3.07Å; N123-E127 PolarHBondContact O-N 3.43Å; N123-C158 PolarHBondContact OD1-O 3.38Å; N123-R161 HydrophobicContact CB-CB 3.99Å; N123-R161 WeakPolarHBondContact OD1-CB 3.23Å; N123-R162 PolarHBondContact OD1-N 2.93Å; N123-R162 VanDerWaalsContact OD1-N 3.09Å
124	A	97.9	Very high	96.8	Very high	52 Å²	52	60.6 Å²	60.6	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-40.8	178.3	0	0	0	0	0	111.9	Q120 T121 A126 E127 E128	Q120-A124 PolarHBondContact O-N 3.43Å; T121-A124 PolarHBondContact O-N 3.22Å; A124-A126 PolarHBondContact O-N 3.36Å; A124-E127 PolarHBondContact O-N 2.82Å; A124-E128 WeakPolarHBondContact O-CB 3.48Å; A124-E128 PolarHBondContact O-N 3.21Å
125	Q	97.8	Very high	96.9	Very high	104 Å²	104	60.8 Å²	60.8	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-40.6	174	-73.2	174.6	-20.2	0	0	112.9	T121 N123 Q129	T121-Q125 WeakPolarHBondContact O-CG 3.27Å; T121-Q125 PolarHBondContact O-N 2.76Å; N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 2.98Å; Q125-Q129 WeakPolarHBondContact O-CB 3.47Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.39Å; Q125-Q129 PolarHBondContact O-N 3.44Å
126	A	97.1	Very high	96.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-70.8	-34.4	177.1	0	0	0	0	0	112.2	A122 N123 A124 S130 L154 C158	A122-A126 PolarHBondContact O-N 3.41Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 VanDerWaalsContact O-N 3.07Å; A124-A126 PolarHBondContact O-N 3.36Å; A126-S130 WeakPolarHBondContact O-CB 3.42Å; A126-S130 PolarHBondContact O-N 3.22Å; A126-L154 HydrophobicContact CB-CD1 4.22Å; A126-C158 HydrophobicContact CB-CB 4.27Å
127	E	96.9	Very high	96.9	Very high	64 Å²	64	64.7 Å²	64.7	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-50.2	174.2	-172.9	161.5	-146.8	0	0	110.7	N123 A124 Q129 S130 E131	N123-E127 PolarHBondContact O-N 3.43Å; A124-E127 PolarHBondContact O-N 2.82Å; E127-Q129 PolarHBondContact O-N 2.94Å; E127-S130 WeakPolarHBondContact O-CA 3.49Å; E127-S130 WeakPolarHBondContact O-CB 3.43Å; E127-S130 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-OG 2.85Å; E127-E131 WeakPolarHBondContact O-CG 3.37Å; E127-E131 PolarHBondContact O-N 2.9Å
128	E	97.5	Very high	96.9	Very high	134 Å²	134	68.7 Å²	68.7	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-56.8	-48.4	175.2	-177.9	177.5	-161.1	0	0	111.9	A124 S130 E131 E132	A124-E128 WeakPolarHBondContact O-CB 3.48Å; A124-E128 PolarHBondContact O-N 3.21Å; E128-S130 PolarHBondContact O-N 3.4Å; E128-E131 PolarHBondContact O-N 3.44Å; E128-E131 VanDerWaalsContact O-N 3.14Å; E128-E132 PolarHBondContact O-N 3.06Å
129	Q	97.1	Very high	96.9	Very high	105 Å²	105	69.5 Å²	69.5	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-35.8	175.5	-74	175.2	-17.8	0	0	112.1	Q125 E127 L133 L154	Q125-Q129 WeakPolarHBondContact O-CB 3.47Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.39Å; Q125-Q129 PolarHBondContact O-N 3.44Å; E127-Q129 PolarHBondContact O-N 2.94Å; Q129-L133 WeakPolarHBondContact O-CB 3.44Å; Q129-L133 PolarHBondContact O-N 3Å; Q129-L154 HydrophobicContact CB-CD1 4.36Å; Q129-L154 HydrophobicContact CB-CD2 3.76Å
130	S	96.4	Very high	96.7	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-72.8	-33.6	179.2	81.9	0	0	0	0	112.4	A126 E127 E128 A134 R155	A126-S130 WeakPolarHBondContact O-CB 3.42Å; A126-S130 PolarHBondContact O-N 3.22Å; E127-S130 WeakPolarHBondContact O-CA 3.49Å; E127-S130 WeakPolarHBondContact O-CB 3.43Å; E127-S130 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-OG 2.85Å; E128-S130 PolarHBondContact O-N 3.4Å; S130-A134 WeakPolarHBondContact O-CB 3.29Å; S130-A134 PolarHBondContact O-N 3.05Å; S130-R155 PolarHBondContact OG-NE 3.23Å; S130-R155 PolarHBondContact OG-NH2 3.12Å
131	E	96.1	Very high	96.5	Very high	106 Å²	106	75.4 Å²	75.4	50%	0.495	40%	0.395	S	S	.	.	H	α-helix	trans	-71.9	-39.6	174.3	-71.2	-179.3	-177.7	0	0	111.5	E127 E128 L133 A134 S135	E127-E131 WeakPolarHBondContact O-CG 3.37Å; E127-E131 PolarHBondContact O-N 2.9Å; E128-E131 PolarHBondContact O-N 3.44Å; E128-E131 VanDerWaalsContact O-N 3.14Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-A134 PolarHBondContact O-N 3.34Å; E131-S135 WeakPolarHBondContact O-CB 3.3Å; E131-S135 PolarHBondContact O-N 3.37Å; E131-S135 PolarHBondContact O-OG 2.88Å
132	E	96.2	Very high	96.2	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-46	173.6	-165.6	-166.6	164.7	0	0	110.5	E128 A134 S135 R136	E128-E132 PolarHBondContact O-N 3.06Å; E132-A134 VanDerWaalsContact C-N 3.34Å; E132-A134 PolarHBondContact O-N 3.07Å; E132-S135 WeakPolarHBondContact O-CB 3.48Å; E132-S135 PolarHBondContact O-N 3.35Å; E132-R136 WeakPolarHBondContact O-CG 3.29Å; E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 IonicContact OE1-CZ 2.83Å; E132-R136 IonicContact OE1-NE 3.85Å; E132-R136 PolarHBondContact OE1-NE 2.89Å; E132-R136 IonicContact OE1-NH2 2.92Å; E132-R136 PolarHBondContact OE1-NH2 2.97Å; E132-R136 IonicContact OE2-NH2 2.69Å; E132-R136 PolarHBondContact OE2-NH2 2.95Å
133	L	95.8	Very high	96.1	Very high	11 Å²	11	77.1 Å²	77.1	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-40.9	177.7	-169.1	68.3	0	0	0	112.1	Q129 E131 R136 F137 M142 F147 D150 F151	Q129-L133 WeakPolarHBondContact O-CB 3.44Å; Q129-L133 PolarHBondContact O-N 3Å; E131-L133 VanDerWaalsContact C-N 3.35Å; L133-R136 PolarHBondContact O-N 2.94Å; L133-F137 PolarHBondContact O-N 3.28Å; L133-F137 VanDerWaalsContact O-N 3.14Å; L133-M142 HydrophobicContact CD1-CE 3.46Å; L133-M142 VanDerWaalsContact CD1-CE 3.46Å; L133-M142 HydrophobicContact CD1-SD 3.73Å; L133-M142 HydrophobicContact CG-SD 4.28Å; L133-F147 HydrophobicContact CG-CD2 4.17Å; L133-F147 HydrophobicContact CG-CE2 4.36Å; L133-D150 HydrophobicContact CD1-CB 4.34Å; L133-D150 HydrophobicContact CD2-CB 3.67Å; L133-F151 VanDerWaalsContact CD2-CA 3.45Å; L133-F151 HydrophobicContact CD2-CB 3.65Å; L133-F151 HydrophobicContact CD2-CD2 4.15Å; L133-F151 HydrophobicContact CD2-CG 4.42Å; L133-F151 VanDerWaalsContact CD2-N 3.34Å
134	A	96.4	Very high	96	Very high	26 Å²	26	80 Å²	80	22%	0.215	42%	0.415	C	S	.	.	H	α-helix	trans	-64	-40.5	174.2	0	0	0	0	0	112.1	S130 E131 E132 F137 L138 F151	S130-A134 WeakPolarHBondContact O-CB 3.29Å; S130-A134 PolarHBondContact O-N 3.05Å; E131-A134 PolarHBondContact O-N 3.34Å; E132-A134 VanDerWaalsContact C-N 3.34Å; E132-A134 PolarHBondContact O-N 3.07Å; A134-F137 PolarHBondContact O-N 2.96Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 2.92Å; A134-F151 HydrophobicContact CB-CE2 4.25Å
135	S	96.2	Very high	95.9	Very high	59 Å²	59	83.8 Å²	83.8	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-46.8	177.1	-57.9	0	0	0	0	111.3	E131 E132 F137 L138 D139	E131-S135 WeakPolarHBondContact O-CB 3.3Å; E131-S135 PolarHBondContact O-N 3.37Å; E131-S135 PolarHBondContact O-OG 2.88Å; E132-S135 WeakPolarHBondContact O-CB 3.48Å; E132-S135 PolarHBondContact O-N 3.35Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 2.93Å; S135-L138 PolarHBondContact O-N 3.47Å; S135-L138 VanDerWaalsContact O-N 3.09Å; S135-D139 PolarHBondContact O-N 3.18Å
136	R	95.6	Very high	95.8	Very high	108 Å²	108	80.6 Å²	80.6	41%	0.408	42%	0.419	S	S	.	.	H	α-helix	trans	-59	-37.4	175.8	-66.3	-174.9	-150.5	159.5	4.4	112.6	E132 L133 K140 A141 M142	E132-R136 WeakPolarHBondContact O-CG 3.29Å; E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 IonicContact OE1-CZ 2.83Å; E132-R136 IonicContact OE1-NE 3.85Å; E132-R136 PolarHBondContact OE1-NE 2.89Å; E132-R136 IonicContact OE1-NH2 2.92Å; E132-R136 PolarHBondContact OE1-NH2 2.97Å; E132-R136 IonicContact OE2-NH2 2.69Å; E132-R136 PolarHBondContact OE2-NH2 2.95Å; L133-R136 PolarHBondContact O-N 2.94Å; R136-K140 PolarHBondContact O-N 3.42Å; R136-A141 HydrophobicContact CB-CB 4.41Å; R136-A141 WeakPolarHBondContact O-CB 3.34Å; R136-A141 PolarHBondContact O-N 2.95Å; R136-M142 HydrophobicContact CB-CE 4.17Å; R136-M142 HydrophobicContact CB-SD 4.43Å
137	F	96.7	Very high	95.8	Very high	69 Å²	69	81.7 Å²	81.7	30%	0.303	42%	0.424	S	S	.	.	H	α-helix	trans	-66.3	-43.3	174.9	175.3	-108	0	0	0	112.1	L133 A134 S135 D139 K140 M142 V144 F147	L133-F137 PolarHBondContact O-N 3.28Å; L133-F137 VanDerWaalsContact O-N 3.14Å; A134-F137 PolarHBondContact O-N 2.96Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 2.93Å; F137-D139 VanDerWaalsContact C-N 3.31Å; F137-D139 PolarHBondContact O-N 3.37Å; F137-K140 PolarHBondContact O-N 3.2Å; F137-M142 HydrophobicContact CB-CG 3.96Å; F137-M142 HydrophobicContact CB-SD 4.14Å; F137-M142 HydrophobicContact CD2-CG 4.29Å; F137-V144 HydrophobicContact CE2-CB 4.46Å; F137-V144 HydrophobicContact CE2-CG2 3.84Å; F137-V144 HydrophobicContact CZ-CG2 4.15Å; F137-F147 HydrophobicContact CB-CB 4.38Å; F137-F147 HydrophobicContact CB-CD2 3.55Å; F137-F147 HydrophobicContact CB-CE2 3.99Å; F137-F147 HydrophobicContact CB-CG 3.98Å; F137-F147 HydrophobicContact CD1-CD1 4.35Å; F137-F147 HydrophobicContact CD1-CD2 4.46Å; F137-F147 HydrophobicContact CD1-CE1 4.42Å; F137-F147 HydrophobicContact CD1-CG 4.37Å; F137-F147 HydrophobicContact CD1-CZ 4.5Å; F137-F147 HydrophobicContact CD2-CB 3.7Å; F137-F147 HydrophobicContact CD2-CD1 4.25Å; F137-F147 HydrophobicContact CD2-CD2 4.29Å; F137-F147 AromaticContact CD2-CG 3.82Å; F137-F147 HydrophobicContact CD2-CG 3.82Å; F137-F147 HydrophobicContact CE2-CB 4.29Å; F137-F147 HydrophobicContact CE2-CD1 4.47Å; F137-F147 HydrophobicContact CE2-CG 4.43Å; F137-F147 HydrophobicContact CG-CB 4.16Å; F137-F147 HydrophobicContact CG-CD1 4.18Å; F137-F147 AromaticContact CG-CD2 3.86Å; F137-F147 HydrophobicContact CG-CD2 3.86Å; F137-F147 HydrophobicContact CG-CE2 4.31Å; F137-F147 AromaticContact CG-CG 3.78Å; F137-F147 HydrophobicContact CG-CG 3.78Å
138	L	95.9	Very high	95.8	Very high	132 Å²	132	82.3 Å²	82.3	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-64.8	-34.6	176.7	-69.1	175.1	0	0	0	112.8	A134 S135 K140	A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 2.92Å; S135-L138 PolarHBondContact O-N 3.47Å; S135-L138 VanDerWaalsContact O-N 3.09Å; L138-K140 PolarHBondContact O-N 2.96Å
139	D	96.2	Very high	95.8	Very high	128 Å²	128	83.5 Å²	83.5	68%	0.684	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	3.5	174.5	-67.7	-25.4	0	0	0	113.2	S135 F137 A141	S135-D139 PolarHBondContact O-N 3.18Å; F137-D139 VanDerWaalsContact C-N 3.31Å; F137-D139 PolarHBondContact O-N 3.37Å; D139-A141 PolarHBondContact O-N 2.86Å
140	K	92.7	Very high	95.7	Very high	190 Å²	190	82.5 Å²	82.5	83%	0.826	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	25.3	-177.1	-52.3	178.3	-178.3	177.3	0	113.3	R136 F137 L138 M142	R136-K140 PolarHBondContact O-N 3.42Å; F137-K140 PolarHBondContact O-N 3.2Å; L138-K140 PolarHBondContact O-N 2.96Å; K140-M142 VanDerWaalsContact C-N 3.26Å; K140-M142 PolarHBondContact O-N 3.39Å
141	A	93.5	Very high	95.8	Very high	77 Å²	77	84.6 Å²	84.6	64%	0.636	44%	0.439	S	S	*	.			trans	-82.5	-3.4	177.6	0	0	0	0	0	113.1	R136 D139	R136-A141 HydrophobicContact CB-CB 4.41Å; R136-A141 WeakPolarHBondContact O-CB 3.34Å; R136-A141 PolarHBondContact O-N 2.95Å; D139-A141 PolarHBondContact O-N 2.86Å
142	M	93.3	Very high	95.8	Very high	39 Å²	39	83.4 Å²	83.4	19%	0.192	44%	0.436	C	S	.	.	S	Bend	trans	-148	153.1	174	58	178	41	0	0	112	L133 R136 F137 K140 F147	L133-M142 HydrophobicContact CD1-CE 3.46Å; L133-M142 VanDerWaalsContact CD1-CE 3.46Å; L133-M142 HydrophobicContact CD1-SD 3.73Å; L133-M142 HydrophobicContact CG-SD 4.28Å; R136-M142 HydrophobicContact CB-CE 4.17Å; R136-M142 HydrophobicContact CB-SD 4.43Å; F137-M142 HydrophobicContact CB-CG 3.96Å; F137-M142 HydrophobicContact CB-SD 4.14Å; F137-M142 HydrophobicContact CD2-CG 4.29Å; K140-M142 VanDerWaalsContact C-N 3.26Å; K140-M142 PolarHBondContact O-N 3.39Å; M142-F147 HydrophobicContact CG-CB 4.38Å; M142-F147 HydrophobicContact SD-CB 3.89Å; M142-F147 HydrophobicContact SD-CD2 4Å; M142-F147 HydrophobicContact SD-CG 4.45Å
143	D	94.4	Very high	95.9	Very high	98 Å²	98	82.3 Å²	82.3	52%	0.524	44%	0.437	S	S	.	.			trans	-78.3	168.7	174.5	66.5	39.5	0	0	0	112.1	D145 A146 F147	D143-D145 PolarHBondContact OD1-N 3.38Å; D143-A146 WeakPolarHBondContact OD1-CA 3.34Å; D143-A146 WeakPolarHBondContact OD1-CB 3.47Å; D143-A146 PolarHBondContact OD1-N 3.45Å; D143-F147 WeakPolarHBondContact O-CB 3.34Å; D143-F147 PolarHBondContact O-N 3.41Å
144	V	96.4	Very high	96	Very high	80 Å²	80	83.1 Å²	83.1	49%	0.485	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-40.4	-177	178	0	0	0	0	111.4	F137 F147 L148	F137-V144 HydrophobicContact CE2-CB 4.46Å; F137-V144 HydrophobicContact CE2-CG2 3.84Å; F137-V144 HydrophobicContact CZ-CG2 4.15Å; V144-F147 PolarHBondContact O-N 2.92Å; V144-L148 HydrophobicContact CG1-CD1 3.91Å; V144-L148 HydrophobicContact CG1-CG 4.26Å; V144-L148 WeakPolarHBondContact O-CB 3.44Å; V144-L148 VanDerWaalsContact O-CG 3.28Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.44Å
145	D	96.3	Very high	96	Very high	132 Å²	132	85.4 Å²	85.4	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-69.6	-41.3	-175.3	-67.6	-45.6	0	0	0	111.6	D143 K149	D143-D145 PolarHBondContact OD1-N 3.38Å; D145-K149 VanDerWaalsContact O-CB 3.3Å; D145-K149 WeakPolarHBondContact O-CB 3.38Å; D145-K149 PolarHBondContact O-N 2.86Å
146	A	94.8	Very high	96.1	Very high	36 Å²	36	89.5 Å²	89.5	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-43.9	172.9	0	0	0	0	0	111.4	D143 K149 D150	D143-A146 WeakPolarHBondContact OD1-CA 3.34Å; D143-A146 WeakPolarHBondContact OD1-CB 3.47Å; D143-A146 PolarHBondContact OD1-N 3.45Å; A146-K149 PolarHBondContact O-N 3.25Å; A146-D150 PolarHBondContact O-N 3.41Å
147	F	97.3	Very high	96.2	Very high	24 Å²	24	87.2 Å²	87.2	11%	0.105	45%	0.45	C	S	.	.	H	α-helix	trans	-57.8	-51.3	175.1	171.9	-105.7	0	0	0	111.3	L133 F137 M142 D143 V144 K149 D150 F151	L133-F147 HydrophobicContact CG-CD2 4.17Å; L133-F147 HydrophobicContact CG-CE2 4.36Å; F137-F147 HydrophobicContact CB-CB 4.38Å; F137-F147 HydrophobicContact CB-CD2 3.55Å; F137-F147 HydrophobicContact CB-CE2 3.99Å; F137-F147 HydrophobicContact CB-CG 3.98Å; F137-F147 HydrophobicContact CD1-CD1 4.35Å; F137-F147 HydrophobicContact CD1-CD2 4.46Å; F137-F147 HydrophobicContact CD1-CE1 4.42Å; F137-F147 HydrophobicContact CD1-CG 4.37Å; F137-F147 HydrophobicContact CD1-CZ 4.5Å; F137-F147 HydrophobicContact CD2-CB 3.7Å; F137-F147 HydrophobicContact CD2-CD1 4.25Å; F137-F147 HydrophobicContact CD2-CD2 4.29Å; F137-F147 AromaticContact CD2-CG 3.82Å; F137-F147 HydrophobicContact CD2-CG 3.82Å; F137-F147 HydrophobicContact CE2-CB 4.29Å; F137-F147 HydrophobicContact CE2-CD1 4.47Å; F137-F147 HydrophobicContact CE2-CG 4.43Å; F137-F147 HydrophobicContact CG-CB 4.16Å; F137-F147 HydrophobicContact CG-CD1 4.18Å; F137-F147 AromaticContact CG-CD2 3.86Å; F137-F147 HydrophobicContact CG-CD2 3.86Å; F137-F147 HydrophobicContact CG-CE2 4.31Å; F137-F147 AromaticContact CG-CG 3.78Å; F137-F147 HydrophobicContact CG-CG 3.78Å; M142-F147 HydrophobicContact CG-CB 4.38Å; M142-F147 HydrophobicContact SD-CB 3.89Å; M142-F147 HydrophobicContact SD-CD2 4Å; M142-F147 HydrophobicContact SD-CG 4.45Å; D143-F147 WeakPolarHBondContact O-CB 3.34Å; D143-F147 PolarHBondContact O-N 3.41Å; V144-F147 PolarHBondContact O-N 2.92Å; F147-K149 VanDerWaalsContact C-N 3.31Å; F147-K149 PolarHBondContact O-N 2.95Å; F147-D150 PolarHBondContact O-N 3.14Å; F147-F151 HydrophobicContact CD1-CB 4.49Å; F147-F151 HydrophobicContact CD2-CB 4.01Å; F147-F151 HydrophobicContact CD2-CG 4.4Å; F147-F151 HydrophobicContact CE1-CB 4.18Å; F147-F151 HydrophobicContact CE1-CD1 4.01Å; F147-F151 HydrophobicContact CE1-CG 4.07Å; F147-F151 HydrophobicContact CE2-CB 3.65Å; F147-F151 HydrophobicContact CE2-CD1 4.25Å; F147-F151 AromaticContact CE2-CD2 3.5Å; F147-F151 HydrophobicContact CE2-CD2 3.5Å; F147-F151 HydrophobicContact CE2-CE2 4.15Å; F147-F151 AromaticContact CE2-CG 3.55Å; F147-F151 HydrophobicContact CE2-CG 3.55Å; F147-F151 HydrophobicContact CG-CB 4.42Å; F147-F151 HydrophobicContact CZ-CB 3.75Å; F147-F151 AromaticContact CZ-CD1 3.57Å; F147-F151 HydrophobicContact CZ-CD1 3.57Å; F147-F151 AromaticContact CZ-CD2 3.59Å; F147-F151 HydrophobicContact CZ-CD2 3.59Å; F147-F151 AromaticContact CZ-CE1 3.96Å; F147-F151 HydrophobicContact CZ-CE1 3.96Å; F147-F151 AromaticContact CZ-CE2 3.99Å; F147-F151 HydrophobicContact CZ-CE2 3.99Å; F147-F151 AromaticContact CZ-CG 3.35Å; F147-F151 HydrophobicContact CZ-CG 3.35Å; F147-F151 HydrophobicContact CZ-CZ 4.15Å; F147-F151 WeakPolarHBondContact O-CB 3.34Å; F147-F151 PolarHBondContact O-N 2.96Å
148	L	97.2	Very high	96.3	Very high	77 Å²	77	84.1 Å²	84.1	40%	0.403	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-36.2	-178.3	-69.3	177.2	0	0	0	112.5	V144 D150 I152	V144-L148 HydrophobicContact CG1-CD1 3.91Å; V144-L148 HydrophobicContact CG1-CG 4.26Å; V144-L148 WeakPolarHBondContact O-CB 3.44Å; V144-L148 VanDerWaalsContact O-CG 3.28Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.44Å; L148-D150 VanDerWaalsContact C-N 3.34Å; L148-D150 PolarHBondContact O-N 3.47Å; L148-I152 HydrophobicContact CB-CD1 4.32Å; L148-I152 HydrophobicContact CD2-CD1 4.22Å; L148-I152 WeakPolarHBondContact O-CB 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.28Å
149	K	96.9	Very high	96.3	Very high	159 Å²	159	82.4 Å²	82.4	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-60.1	-41.4	177.4	-177.4	-175.5	175	-171.4	0	112.4	D145 A146 F147 P153	D145-K149 VanDerWaalsContact O-CB 3.3Å; D145-K149 WeakPolarHBondContact O-CB 3.38Å; D145-K149 PolarHBondContact O-N 2.86Å; A146-K149 PolarHBondContact O-N 3.25Å; F147-K149 VanDerWaalsContact C-N 3.31Å; F147-K149 PolarHBondContact O-N 2.95Å; K149-P153 WeakPolarHBondContact O-CD 3.43Å; K149-P153 VanDerWaalsContact O-CG 3.25Å; K149-P153 WeakPolarHBondContact O-CG 3.42Å
150	D	96.2	Very high	96.4	Very high	84 Å²	84	80.9 Å²	80.9	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-94.2	-35.9	-175.6	-67.3	-12	0	0	0	112.5	L133 A146 F147 L148 P153 L154	L133-D150 HydrophobicContact CD1-CB 4.34Å; L133-D150 HydrophobicContact CD2-CB 3.67Å; A146-D150 PolarHBondContact O-N 3.41Å; F147-D150 PolarHBondContact O-N 3.14Å; L148-D150 VanDerWaalsContact C-N 3.34Å; L148-D150 PolarHBondContact O-N 3.47Å; D150-P153 WeakPolarHBondContact O-CD 3.37Å; D150-L154 WeakPolarHBondContact O-CB 3.46Å; D150-L154 PolarHBondContact O-N 3.42Å
151	F	97.7	Very high	96.7	Very high	43 Å²	43	75.1 Å²	75.1	19%	0.189	39%	0.39	C	S	.	.	H	α-helix	trans	-72.9	-41.5	-174.2	-174.9	-102.5	0	0	0	112.9	L133 A134 F147 L154 R155	L133-F151 VanDerWaalsContact CD2-CA 3.45Å; L133-F151 HydrophobicContact CD2-CB 3.65Å; L133-F151 HydrophobicContact CD2-CD2 4.15Å; L133-F151 HydrophobicContact CD2-CG 4.42Å; L133-F151 VanDerWaalsContact CD2-N 3.34Å; A134-F151 HydrophobicContact CB-CE2 4.25Å; F147-F151 HydrophobicContact CD1-CB 4.49Å; F147-F151 HydrophobicContact CD2-CB 4.01Å; F147-F151 HydrophobicContact CD2-CG 4.4Å; F147-F151 HydrophobicContact CE1-CB 4.18Å; F147-F151 HydrophobicContact CE1-CD1 4.01Å; F147-F151 HydrophobicContact CE1-CG 4.07Å; F147-F151 HydrophobicContact CE2-CB 3.65Å; F147-F151 HydrophobicContact CE2-CD1 4.25Å; F147-F151 AromaticContact CE2-CD2 3.5Å; F147-F151 HydrophobicContact CE2-CD2 3.5Å; F147-F151 HydrophobicContact CE2-CE2 4.15Å; F147-F151 AromaticContact CE2-CG 3.55Å; F147-F151 HydrophobicContact CE2-CG 3.55Å; F147-F151 HydrophobicContact CG-CB 4.42Å; F147-F151 HydrophobicContact CZ-CB 3.75Å; F147-F151 AromaticContact CZ-CD1 3.57Å; F147-F151 HydrophobicContact CZ-CD1 3.57Å; F147-F151 AromaticContact CZ-CD2 3.59Å; F147-F151 HydrophobicContact CZ-CD2 3.59Å; F147-F151 AromaticContact CZ-CE1 3.96Å; F147-F151 HydrophobicContact CZ-CE1 3.96Å; F147-F151 AromaticContact CZ-CE2 3.99Å; F147-F151 HydrophobicContact CZ-CE2 3.99Å; F147-F151 AromaticContact CZ-CG 3.35Å; F147-F151 HydrophobicContact CZ-CG 3.35Å; F147-F151 HydrophobicContact CZ-CZ 4.15Å; F147-F151 WeakPolarHBondContact O-CB 3.34Å; F147-F151 PolarHBondContact O-N 2.96Å; F151-L154 PolarHBondContact O-N 3.26Å; F151-R155 HydrophobicContact CD1-CG 4Å; F151-R155 HydrophobicContact CD2-CG 4.22Å; F151-R155 HydrophobicContact CE1-CG 3.6Å; F151-R155 HydrophobicContact CE2-CG 3.83Å; F151-R155 HydrophobicContact CG-CG 4.31Å; F151-R155 HydrophobicContact CZ-CG 3.51Å; F151-R155 VanDerWaalsContact CZ-NE 3.31Å; F151-R155 WeakPolarHBondContact O-CB 3.48Å; F151-R155 PolarHBondContact O-N 2.62Å
152	I	97.2	Very high	96.9	Very high	81 Å²	81	77.6 Å²	77.6	42%	0.415	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-50.3	-177.8	-66.1	173.8	0	0	0	111.2	L148 L154 K156	L148-I152 HydrophobicContact CB-CD1 4.32Å; L148-I152 HydrophobicContact CD2-CD1 4.22Å; L148-I152 WeakPolarHBondContact O-CB 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.28Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 2.99Å; I152-K156 HydrophobicContact CG2-CD 4.25Å; I152-K156 WeakPolarHBondContact O-CG 3.5Å; I152-K156 PolarHBondContact O-N 2.97Å
153	P	97.4	Very high	97.1	Very high	75 Å²	75	82.3 Å²	82.3	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-40.8	175.7	-24.1	35.1	0	0	0	113	K149 D150 K156 L157	K149-P153 WeakPolarHBondContact O-CD 3.43Å; K149-P153 VanDerWaalsContact O-CG 3.25Å; K149-P153 WeakPolarHBondContact O-CG 3.42Å; D150-P153 WeakPolarHBondContact O-CD 3.37Å; P153-K156 WeakPolarHBondContact O-CB 3.41Å; P153-K156 PolarHBondContact O-N 3.47Å; P153-L157 PolarHBondContact O-N 2.94Å
154	L	97.5	Very high	97.2	Very high	28 Å²	28	82.4 Å²	82.4	15%	0.147	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-42.8	-178.8	-175.4	58	0	0	0	112.2	A126 Q129 D150 F151 I152 L157 C158	A126-L154 HydrophobicContact CB-CD1 4.22Å; Q129-L154 HydrophobicContact CB-CD1 4.36Å; Q129-L154 HydrophobicContact CB-CD2 3.76Å; D150-L154 WeakPolarHBondContact O-CB 3.46Å; D150-L154 PolarHBondContact O-N 3.42Å; F151-L154 PolarHBondContact O-N 3.26Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 2.99Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.09Å; L154-C158 WeakPolarHBondContact O-CB 3.32Å; L154-C158 PolarHBondContact O-N 3.24Å
155	R	97.4	Very high	97.3	Very high	75 Å²	75	79.2 Å²	79.2	28%	0.283	38%	0.38	S	S	.	.	H	α-helix	trans	-65.7	-37	173.9	-78.6	-65.7	-173.2	177	-5.2	112.6	S130 F151 C158 N159	S130-R155 PolarHBondContact OG-NE 3.23Å; S130-R155 PolarHBondContact OG-NH2 3.12Å; F151-R155 HydrophobicContact CD1-CG 4Å; F151-R155 HydrophobicContact CD2-CG 4.22Å; F151-R155 HydrophobicContact CE1-CG 3.6Å; F151-R155 HydrophobicContact CE2-CG 3.83Å; F151-R155 HydrophobicContact CG-CG 4.31Å; F151-R155 HydrophobicContact CZ-CG 3.51Å; F151-R155 VanDerWaalsContact CZ-NE 3.31Å; F151-R155 WeakPolarHBondContact O-CB 3.48Å; F151-R155 PolarHBondContact O-N 2.62Å; R155-C158 PolarHBondContact O-N 2.83Å; R155-N159 WeakPolarHBondContact O-CB 3.43Å; R155-N159 VanDerWaalsContact O-CG 3.24Å; R155-N159 PolarHBondContact O-N 3.41Å; R155-N159 PolarHBondContact O-ND2 3.36Å
156	K	97.9	Very high	97.3	Very high	145 Å²	145	77.8 Å²	77.8	63%	0.63	37%	0.369	S	S	*	.	H	α-helix	trans	-59.3	-47.7	171.7	-76	176.1	179.9	-179.9	0	111	I152 P153 N159 E160	I152-K156 HydrophobicContact CG2-CD 4.25Å; I152-K156 WeakPolarHBondContact O-CG 3.5Å; I152-K156 PolarHBondContact O-N 2.97Å; P153-K156 WeakPolarHBondContact O-CB 3.41Å; P153-K156 PolarHBondContact O-N 3.47Å; K156-N159 PolarHBondContact O-N 2.92Å; K156-E160 WeakPolarHBondContact O-CB 3.48Å; K156-E160 PolarHBondContact O-N 2.94Å
157	L	98	Very high	97.4	Very high	60 Å²	60	79.9 Å²	79.9	31%	0.314	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-44.4	177.9	179.3	62.9	0	0	0	112.4	P153 L154 E160 R161	P153-L157 PolarHBondContact O-N 2.94Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.09Å; L157-E160 PolarHBondContact O-N 3.32Å; L157-R161 HydrophobicContact CD1-CG 4.38Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 3.42Å
158	C	97.4	Very high	97.2	Very high	4 Å²	4	80 Å²	80	3%	0.027	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-51.7	175.1	-176.5	0	0	0	0	111	N123 A126 L154 R155 E160 R161 R162	N123-C158 PolarHBondContact OD1-O 3.38Å; A126-C158 HydrophobicContact CB-CB 4.27Å; L154-C158 WeakPolarHBondContact O-CB 3.32Å; L154-C158 PolarHBondContact O-N 3.24Å; R155-C158 PolarHBondContact O-N 2.83Å; C158-E160 VanDerWaalsContact C-N 3.32Å; C158-E160 PolarHBondContact O-N 3.29Å; C158-R161 PolarHBondContact O-N 2.92Å; C158-R162 WeakPolarHBondContact O-CB 3.46Å; C158-R162 PolarHBondContact O-N 2.85Å
159	N	97.6	Very high	97.1	Very high	96 Å²	96	78.1 Å²	78.1	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-37.8	-179.7	-69.2	-21.1	0	0	0	112.3	R155 K156 R162 F163	R155-N159 WeakPolarHBondContact O-CB 3.43Å; R155-N159 VanDerWaalsContact O-CG 3.24Å; R155-N159 PolarHBondContact O-N 3.41Å; R155-N159 PolarHBondContact O-ND2 3.36Å; K156-N159 PolarHBondContact O-N 2.92Å; N159-R162 PolarHBondContact O-N 2.88Å; N159-F163 WeakPolarHBondContact O-CB 3.38Å; N159-F163 PolarHBondContact O-N 3.27Å
160	E	98	Very high	97	Very high	96 Å²	96	75.2 Å²	75.2	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-46.2	176	-172	-168.5	151.8	0	0	111.9	K156 L157 C158 F163 K164	K156-E160 WeakPolarHBondContact O-CB 3.48Å; K156-E160 PolarHBondContact O-N 2.94Å; L157-E160 PolarHBondContact O-N 3.32Å; C158-E160 VanDerWaalsContact C-N 3.32Å; C158-E160 PolarHBondContact O-N 3.29Å; E160-F163 PolarHBondContact O-N 2.96Å; E160-K164 HydrophobicContact CG-CD 4.34Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.37Å; E160-K164 WeakPolarHBondContact OE1-CE 3.45Å; E160-K164 IonicContact OE1-NZ 3.86Å; E160-K164 PolarHBondContact OE1-NZ 3.25Å
161	R	98	Very high	96.8	Very high	68 Å²	68	74.7 Å²	74.7	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-43.6	176.6	-74.3	177.9	178.2	166.6	3.6	111.2	L119 A122 N123 L157 C158 K164 C165	L119-R161 HydrophobicContact CD1-CB 4.4Å; L119-R161 HydrophobicContact CD1-CG 4.17Å; A122-R161 PolarHBondContact O-NH1 3.37Å; N123-R161 HydrophobicContact CB-CB 3.99Å; N123-R161 WeakPolarHBondContact OD1-CB 3.23Å; L157-R161 HydrophobicContact CD1-CG 4.38Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 3.42Å; C158-R161 PolarHBondContact O-N 2.92Å; R161-K164 PolarHBondContact O-N 3.07Å; R161-C165 PolarHBondContact O-N 3.46Å; R161-C165 PolarHBondContact O-SG 3.37Å; R161-C165 VanDerWaalsContact O-SG 3.38Å
162	R	97.6	Very high	96.5	Very high	129 Å²	129	75.6 Å²	75.6	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-49.9	175.5	-176.6	179.2	-178	137.4	0.4	111.9	N123 C158 N159 K164 C165 E166	N123-R162 PolarHBondContact OD1-N 2.93Å; N123-R162 VanDerWaalsContact OD1-N 3.09Å; C158-R162 WeakPolarHBondContact O-CB 3.46Å; C158-R162 PolarHBondContact O-N 2.85Å; N159-R162 PolarHBondContact O-N 2.88Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 3.43Å; R162-C165 WeakPolarHBondContact O-CB 3.48Å; R162-C165 PolarHBondContact O-N 3.27Å; R162-E166 WeakPolarHBondContact CG-OE1 3.04Å; R162-E166 IonicContact NE-OE1 3.43Å; R162-E166 PolarHBondContact NE-OE1 3.02Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.9Å
163	F	97.9	Very high	96.2	Very high	138 Å²	138	76.4 Å²	76.4	61%	0.605	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-42	177.1	179.1	-99.2	0	0	0	111.9	N159 E160 E166 K167	N159-F163 WeakPolarHBondContact O-CB 3.38Å; N159-F163 PolarHBondContact O-N 3.27Å; E160-F163 PolarHBondContact O-N 2.96Å; F163-E166 PolarHBondContact O-N 2.91Å; F163-K167 WeakPolarHBondContact O-CB 3.38Å; F163-K167 PolarHBondContact O-N 2.8Å
164	K	97.4	Very high	95.8	Very high	101 Å²	101	75.9 Å²	75.9	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-40.5	175.8	-74.4	172.1	170.8	174.1	0	112.4	L119 E160 R161 R162 L168	L119-K164 HydrophobicContact CD2-CB 3.72Å; E160-K164 HydrophobicContact CG-CD 4.34Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.37Å; E160-K164 WeakPolarHBondContact OE1-CE 3.45Å; E160-K164 IonicContact OE1-NZ 3.86Å; E160-K164 PolarHBondContact OE1-NZ 3.25Å; R161-K164 PolarHBondContact O-N 3.07Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 3.43Å; K164-L168 VanDerWaalsContact O-CB 3.29Å; K164-L168 WeakPolarHBondContact O-CB 3.38Å; K164-L168 PolarHBondContact O-N 3.27Å
165	C	97.2	Very high	95	Very high	12 Å²	12	76.7 Å²	76.7	8%	0.081	39%	0.385	C	S	.	.	H	α-helix	trans	-59.3	-50.1	173.1	-74.6	0	0	0	0	111.4	L116 L119 Q120 R161 R162 K167 L168 A169	L116-C165 HydrophobicContact CD1-CB 4.07Å; L116-C165 WeakPolarHBondContact CD1-O 3.11Å; L119-C165 HydrophobicContact CD2-CB 4.49Å; L119-C165 WeakPolarHBondContact CG-SG 3.25Å; Q120-C165 HydrophobicContact CG-CB 4.36Å; R161-C165 PolarHBondContact O-N 3.46Å; R161-C165 PolarHBondContact O-SG 3.37Å; R161-C165 VanDerWaalsContact O-SG 3.38Å; R162-C165 WeakPolarHBondContact O-CB 3.48Å; R162-C165 PolarHBondContact O-N 3.27Å; C165-K167 VanDerWaalsContact C-N 3.35Å; C165-K167 PolarHBondContact O-N 3.33Å; C165-L168 PolarHBondContact O-N 2.96Å; C165-A169 VanDerWaalsContact O-CB 3.25Å; C165-A169 WeakPolarHBondContact O-CB 3.44Å; C165-A169 PolarHBondContact O-N 2.87Å
166	E	96.4	Very high	93.8	Very high	102 Å²	102	80.5 Å²	80.5	48%	0.477	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-45.8	-179.8	-71.3	170.3	-174.1	0	0	110.8	R162 F163 A169 E170	R162-E166 WeakPolarHBondContact CG-OE1 3.04Å; R162-E166 IonicContact NE-OE1 3.43Å; R162-E166 PolarHBondContact NE-OE1 3.02Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.9Å; F163-E166 PolarHBondContact O-N 2.91Å; E166-A169 PolarHBondContact O-N 2.98Å; E166-E170 WeakPolarHBondContact O-CB 3.47Å; E166-E170 PolarHBondContact O-N 3.32Å
167	K	96.3	Very high	92.5	Very high	81 Å²	81	76.3 Å²	76.3	35%	0.352	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-42.4	178.3	-168.8	70.5	-154.6	161.6	0	112.7	F163 C165 E170 Q171	F163-K167 WeakPolarHBondContact O-CB 3.38Å; F163-K167 PolarHBondContact O-N 2.8Å; C165-K167 VanDerWaalsContact C-N 3.35Å; C165-K167 PolarHBondContact O-N 3.33Å; K167-E170 IonicContact NZ-OE1 3.4Å; K167-E170 PolarHBondContact NZ-OE1 3.02Å; K167-E170 IonicContact NZ-OE2 3.36Å; K167-E170 PolarHBondContact NZ-OE2 3.45Å; K167-E170 WeakPolarHBondContact O-CB 3.41Å; K167-E170 PolarHBondContact O-N 3.45Å; K167-Q171 VanDerWaalsContact O-CG 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 3.44Å; K167-Q171 PolarHBondContact O-N 3.03Å
168	L	94.6	Very high	90.7	Very high	26 Å²	26	84.5 Å²	84.5	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-66.8	-40.7	177.7	179.5	58.7	0	0	0	111.2	I115 L116 K164 C165 E170 Q171 I172 I177	I115-L168 HydrophobicContact CB-CD2 4.43Å; I115-L168 HydrophobicContact CG2-CD2 3.95Å; L116-L168 HydrophobicContact CB-CD2 3.77Å; L116-L168 HydrophobicContact CB-CG 4.25Å; L116-L168 HydrophobicContact CD1-CB 4.33Å; L116-L168 HydrophobicContact CD1-CD2 4.25Å; L116-L168 HydrophobicContact CD1-CG 4.38Å; K164-L168 VanDerWaalsContact O-CB 3.29Å; K164-L168 WeakPolarHBondContact O-CB 3.38Å; K164-L168 PolarHBondContact O-N 3.27Å; C165-L168 PolarHBondContact O-N 2.96Å; L168-E170 VanDerWaalsContact C-N 3.35Å; L168-E170 PolarHBondContact O-N 3.04Å; L168-Q171 PolarHBondContact O-N 2.87Å; L168-I172 HydrophobicContact CD1-CD1 4.12Å; L168-I172 HydrophobicContact CD1-CG1 4.28Å; L168-I172 HydrophobicContact CG-CD1 3.94Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.28Å; L168-I172 PolarHBondContact O-N 3.34Å; L168-I177 HydrophobicContact CD1-CD1 3.6Å
169	A	94.9	Very high	88.7	Confident	37 Å²	37	89.2 Å²	89.2	31%	0.306	44%	0.444	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.2	0	0	0	0	0	111.8	L116 C165 E166 I172 S173	L116-A169 HydrophobicContact CD1-CB 4.43Å; L116-A169 HydrophobicContact CD2-CB 3.97Å; C165-A169 VanDerWaalsContact O-CB 3.25Å; C165-A169 WeakPolarHBondContact O-CB 3.44Å; C165-A169 PolarHBondContact O-N 2.87Å; E166-A169 PolarHBondContact O-N 2.98Å; A169-I172 PolarHBondContact O-N 3.31Å; A169-S173 WeakPolarHBondContact O-CB 3.48Å; A169-S173 PolarHBondContact O-N 2.68Å; A169-S173 PolarHBondContact O-OG 3.36Å
170	E	94.1	Very high	86.7	Confident	98 Å²	98	88.6 Å²	88.6	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-43	173.3	-172.8	-159.5	147	0	0	111.7	E166 K167 L168 S173 S174	E166-E170 WeakPolarHBondContact O-CB 3.47Å; E166-E170 PolarHBondContact O-N 3.32Å; K167-E170 IonicContact NZ-OE1 3.4Å; K167-E170 PolarHBondContact NZ-OE1 3.02Å; K167-E170 IonicContact NZ-OE2 3.36Å; K167-E170 PolarHBondContact NZ-OE2 3.45Å; K167-E170 WeakPolarHBondContact O-CB 3.41Å; K167-E170 PolarHBondContact O-N 3.45Å; L168-E170 VanDerWaalsContact C-N 3.35Å; L168-E170 PolarHBondContact O-N 3.04Å; E170-S173 PolarHBondContact O-N 3.14Å; E170-S173 PolarHBondContact O-OG 2.95Å; E170-S173 VanDerWaalsContact O-OG 3.04Å; E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 3.25Å; E170-S174 PolarHBondContact O-OG 2.81Å
171	Q	93.3	Very high	84.5	Confident	74 Å²	74	88.8 Å²	88.8	35%	0.346	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-37.1	178.9	-74.5	178.5	-36.3	0	0	113	K167 L168 G175 H176 I177	K167-Q171 VanDerWaalsContact O-CG 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 3.44Å; K167-Q171 PolarHBondContact O-N 3.03Å; L168-Q171 PolarHBondContact O-N 2.87Å; Q171-G175 PolarHBondContact O-N 3.29Å; Q171-H176 PolarHBondContact O-N 3.44Å; Q171-H176 VanDerWaalsContact O-N 3.12Å; Q171-I177 HydrophobicContact CB-CD1 3.83Å; Q171-I177 HydrophobicContact CB-CG1 4.03Å
172	I	91.3	Very high	82.3	Confident	62 Å²	62	91.6 Å²	91.6	32%	0.318	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-47	175.5	-68.5	167.2	0	0	0	110.2	P112 L116 L168 A169 G175 I177	P112-I172 HydrophobicContact CB-CD1 3.74Å; P112-I172 HydrophobicContact CB-CG1 3.79Å; L116-I172 HydrophobicContact CB-CD1 4.21Å; L116-I172 HydrophobicContact CD2-CD1 3.96Å; L168-I172 HydrophobicContact CD1-CD1 4.12Å; L168-I172 HydrophobicContact CD1-CG1 4.28Å; L168-I172 HydrophobicContact CG-CD1 3.94Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.28Å; L168-I172 PolarHBondContact O-N 3.34Å; A169-I172 PolarHBondContact O-N 3.31Å; I172-G175 PolarHBondContact O-N 3.01Å; I172-I177 HydrophobicContact CG1-CD1 4.26Å
173	S	90.2	Very high	79.8	Confident	98 Å²	98	91.4 Å²	91.4	69%	0.685	49%	0.487	S	S	*	.	H	α-helix	trans	-69.5	-34.7	-179.4	66.5	0	0	0	0	112.8	A169 E170 G175	A169-S173 WeakPolarHBondContact O-CB 3.48Å; A169-S173 PolarHBondContact O-N 2.68Å; A169-S173 PolarHBondContact O-OG 3.36Å; E170-S173 PolarHBondContact O-N 3.14Å; E170-S173 PolarHBondContact O-OG 2.95Å; E170-S173 VanDerWaalsContact O-OG 3.04Å; S173-G175 PolarHBondContact O-N 3.05Å
174	S	89.1	Confident	77.4	Confident	64 Å²	64	90.8 Å²	90.8	45%	0.448	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.2	177.8	-55.3	0	0	0	0	113.4	E170 H176	E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 3.25Å; E170-S174 PolarHBondContact O-OG 2.81Å; S174-H176 WeakPolarHBondContact CB-ND1 3.35Å; S174-H176 PolarHBondContact O-N 3.33Å; S174-H176 VanDerWaalsContact O-N 3.1Å; S174-H176 PolarHBondContact O-ND1 3.49Å
175	G	80.6	Confident	74.9	Confident	45 Å²	45	89.2 Å²	89.2	46%	0.464	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	13.3	-179.5	0	0	0	0	0	114.8	Q171 I172 S173 I177	Q171-G175 PolarHBondContact O-N 3.29Å; I172-G175 PolarHBondContact O-N 3.01Å; S173-G175 PolarHBondContact O-N 3.05Å; G175-I177 PolarHBondContact O-N 3.33Å
176	H	72.3	Confident	72.4	Confident	155 Å²	155	94.8 Å²	94.8	72%	0.718	53%	0.532	S	S	*	.			trans	-67.3	-28.9	178.5	-83.4	67.5	0	0	0	111.4	Q171 S174 R178	Q171-H176 PolarHBondContact O-N 3.44Å; Q171-H176 VanDerWaalsContact O-N 3.12Å; S174-H176 WeakPolarHBondContact CB-ND1 3.35Å; S174-H176 PolarHBondContact O-N 3.33Å; S174-H176 VanDerWaalsContact O-N 3.1Å; S174-H176 PolarHBondContact O-ND1 3.49Å; H176-R178 PolarHBondContact O-N 3.14Å
177	I	69.7	Low	70.2	Confident	56 Å²	56	95.1 Å²	95.1	29%	0.287	53%	0.533	S	S	.	.	S	Bend	trans	-95.7	94.9	172.9	-50.9	175.7	0	0	0	108.2	P112 L168 Q171 I172 G175 V179	P112-I177 HydrophobicContact CB-CD1 4.2Å; P112-I177 HydrophobicContact CB-CG2 4.23Å; P112-I177 HydrophobicContact CG-CB 4.32Å; P112-I177 HydrophobicContact CG-CD1 4.43Å; P112-I177 HydrophobicContact CG-CG2 3.39Å; L168-I177 HydrophobicContact CD1-CD1 3.6Å; Q171-I177 HydrophobicContact CB-CD1 3.83Å; Q171-I177 HydrophobicContact CB-CG1 4.03Å; I172-I177 HydrophobicContact CG1-CD1 4.26Å; G175-I177 PolarHBondContact O-N 3.33Å; I177-V179 PolarHBondContact O-N 3.03Å; I177-V179 VanDerWaalsContact O-N 3.09Å
178	R	60.1	Low	67.9	Low	232 Å²	232	96.7 Å²	96.7	88%	0.875	56%	0.555	S	S	*	*			trans	-69.9	105.4	171	-62.7	-168.1	-168	-159.9	4.5	108.3	H176 S180	H176-R178 PolarHBondContact O-N 3.14Å; R178-S180 PolarHBondContact O-N 3.4Å
179	V	56.7	Low	65.7	Low	104 Å²	104	99.4 Å²	99.4	63%	0.63	58%	0.576	S	S	*	*			trans	-63.4	109.5	165.5	-160.6	0	0	0	0	105.7	I177 S181	I177-V179 PolarHBondContact O-N 3.03Å; I177-V179 VanDerWaalsContact O-N 3.09Å; V179-S181 PolarHBondContact O-N 2.82Å
180	S	55.1	Low	63.6	Low	82 Å²	82	106 Å²	106	57%	0.573	59%	0.594	S	S	*	*			trans	-68.4	88.1	176.1	51	0	0	0	0	108.2	R178 F182	R178-S180 PolarHBondContact O-N 3.4Å; S180-F182 PolarHBondContact O-N 2.86Å
181	S	51.2	Low	61.7	Low	100 Å²	100	105.9 Å²	105.9	70%	0.699	60%	0.6	S	S	*	*			trans	-68.1	98.4	163.6	48	0	0	0	0	106.9	V179 T183	V179-S181 PolarHBondContact O-N 2.82Å; S181-T183 VanDerWaalsContact C-N 3.32Å; S181-T183 PolarHBondContact O-N 3.18Å
182	F	52.6	Low	59.6	Low	127 Å²	127	103.8 Å²	103.8	56%	0.557	59%	0.593	S	S	*	*			trans	-64.3	100.1	166	-63	-72.8	0	0	0	106.9	V103 S180 N184	V103-F182 HydrophobicContact CG1-CD2 4.42Å; V103-F182 HydrophobicContact CG1-CE2 3.88Å; S180-F182 PolarHBondContact O-N 2.86Å; F182-N184 PolarHBondContact O-N 3.02Å; F182-N184 VanDerWaalsContact O-N 3.16Å
183	T	44.6	Very low	57.7	Low	126 Å²	126	107.7 Å²	107.7	77%	0.773	61%	0.614	S	S	*	*			trans	-61	116.6	179.5	51.6	0	0	0	0	108.9	S181 A185	S181-T183 VanDerWaalsContact C-N 3.32Å; S181-T183 PolarHBondContact O-N 3.18Å; T183-A185 PolarHBondContact O-N 2.95Å
184	N	47.8	Very low	55.6	Low	124 Å²	124	106.7 Å²	106.7	66%	0.663	60%	0.604	S	S	*	*			trans	-62	103.7	168	-85.1	-5.8	0	0	0	108.4	K100 F182	K100-N184 WeakPolarHBondContact CE-OD1 3.37Å; K100-N184 PolarHBondContact NZ-OD1 3.38Å; K100-N184 VanDerWaalsContact NZ-OD1 3.07Å; F182-N184 PolarHBondContact O-N 3.02Å; F182-N184 VanDerWaalsContact O-N 3.16Å
185	A	45.1	Very low	53.4	Low	69 Å²	69	111 Å²	111	57%	0.57	62%	0.618	S	S	*	*			trans	-72	131.7	159.3	0	0	0	0	0	107.6	T183 H187	T183-A185 PolarHBondContact O-N 2.95Å; A185-H187 PolarHBondContact O-N 3.46Å
186	P	43.8	Very low	51.4	Low	128 Å²	128	116.4 Å²	116.4	83%	0.831	63%	0.634	S	S	*	*			trans	-63.3	110.1	173.8	24.2	-30.1	0	0	0	108.6	S188	P186-S188 PolarHBondContact O-N 3.36Å; P186-S188 VanDerWaalsContact O-N 3.16Å
187	H	51.3	Low	50	Low	109 Å²	109	116.5 Å²	116.5	51%	0.505	64%	0.64	S	S	.	*			trans	-65.5	113.5	170.1	-73.9	-88.3	0	0	0	107.8	Y96 A185 S189	Y96-H187 AromaticContact CE1-NE2 3.71Å; A185-H187 PolarHBondContact O-N 3.46Å; H187-S189 PolarHBondContact O-N 3.3Å
188	S	46.8	Very low	48.3	Very low	115 Å²	115	118.6 Å²	118.6	80%	0.804	66%	0.659	S	S	*	*			trans	-66.9	100.5	170.1	-175.9	0	0	0	0	107.8	P186 Y190	P186-S188 PolarHBondContact O-N 3.36Å; P186-S188 VanDerWaalsContact O-N 3.16Å; S188-Y190 PolarHBondContact O-N 3.23Å
189	S	49.9	Very low	47.2	Very low	83 Å²	83	115.3 Å²	115.3	58%	0.58	66%	0.659	S	S	*	*			trans	-73.4	91.5	174.2	55.9	0	0	0	0	109	H187 V191	H187-S189 PolarHBondContact O-N 3.3Å; S189-V191 PolarHBondContact O-N 2.92Å
190	Y	50	Low	46.3	Very low	175 Å²	175	117.1 Å²	117.1	69%	0.686	67%	0.67	S	S	*	*			trans	-76.7	112.2	161.6	-172.3	-100.6	0	0	0	107.8	S188 P192	S188-Y190 PolarHBondContact O-N 3.23Å; Y190-P192 HydrophobicContact CD1-CG 3.99Å; Y190-P192 HydrophobicContact CE1-CB 4.33Å; Y190-P192 HydrophobicContact CE1-CG 3.9Å; Y190-P192 WeakPolarHBondContact O-CD 3.48Å
191	V	53.7	Low	45.4	Very low	96 Å²	96	118.9 Å²	118.9	58%	0.582	68%	0.682	S	S	*	*			trans	-99.2	107.3	170.4	-101.6	0	0	0	0	107.3	Y86 S189 N193	Y86-V191 WeakPolarHBondContact OH-CG1 3.08Å; S189-V191 PolarHBondContact O-N 2.92Å; V191-N193 PolarHBondContact O-N 3.39Å
192	P	50.1	Low	44.7	Very low	30 Å²	30	117.7 Å²	117.7	20%	0.195	69%	0.686	C	S	.	*			trans	-62.3	122.4	164.5	-14.9	28.8	0	0	0	108.1	Y86 Y190 V194	Y86-P192 HydrophobicContact CD2-CG 3.93Å; Y86-P192 HydrophobicContact CE2-CG 3.97Å; Y190-P192 HydrophobicContact CD1-CG 3.99Å; Y190-P192 HydrophobicContact CE1-CB 4.33Å; Y190-P192 HydrophobicContact CE1-CG 3.9Å; Y190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 3.28Å
193	N	50.4	Low	43.8	Very low	143 Å²	143	117.1 Å²	117.1	77%	0.765	70%	0.697	S	S	*	*			trans	-70.9	87.9	-179.9	-154.9	35.6	0	0	0	109.2	V191 M195	V191-N193 PolarHBondContact O-N 3.39Å; N193-M195 PolarHBondContact O-N 3.02Å
194	V	47.9	Very low	43.5	Very low	78 Å²	78	116.9 Å²	116.9	47%	0.473	70%	0.696	S	S	.	*			trans	-89.5	90.7	173.4	-173.2	0	0	0	0	107.8	P192 M196	P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 3.28Å; V194-M196 PolarHBondContact O-N 2.69Å
195	M	41.2	Very low	43.1	Very low	153 Å²	153	116.3 Å²	116.3	75%	0.754	70%	0.702	S	S	*	*			trans	-66.4	103.4	169.8	-80	178	170.4	0	0	109.3	N193 N197	N193-M195 PolarHBondContact O-N 3.02Å; M195-N197 PolarHBondContact O-N 3.36Å
196	M	39.5	Very low	42.8	Very low	159 Å²	159	120.6 Å²	120.6	78%	0.783	71%	0.71	S	S	*	*			trans	-75.9	99.9	163	-71.6	-72.7	-173.3	0	0	107.9	V194 S198	V194-M196 PolarHBondContact O-N 2.69Å; M196-S198 PolarHBondContact O-N 3.21Å
197	N	42.5	Very low	42.8	Very low	158 Å²	158	120 Å²	120	85%	0.845	70%	0.699	S	S	*	*			trans	-84	93.5	165.2	-99.2	16.7	0	0	0	108.8	M195	M195-N197 PolarHBondContact O-N 3.36Å
198	S	33.9	Very low	42.5	Very low	99 Å²	99	120.2 Å²	120.2	69%	0.692	70%	0.696	S	S	*	*			trans	-81.7	99.9	152.9	54.1	0	0	0	0	107.3	M196	M196-S198 PolarHBondContact O-N 3.21Å
199	D	38.3	Very low	42.7	Very low	163 Å²	163	119.4 Å²	119.4	87%	0.872	69%	0.689	S	S	*	*			trans	-160.5	111.4	148.9	-92.6	-31.8	0	0	0	110.1	S201	D199-S201 PolarHBondContact O-N 3.06Å
200	V	36.4	Very low	42.5	Very low	142 Å²	142	119 Å²	119	86%	0.861	69%	0.685	S	S	*	*			trans	-77.9	109.6	170.8	164.9	0	0	0	0	107
201	S	37.4	Very low	42.2	Very low	119 Å²	119	117.3 Å²	117.3	83%	0.832	69%	0.688	S	S	*	*			trans	175.5	121.6	142.2	-81.3	0	0	0	0	111.4	D199	D199-S201 PolarHBondContact O-N 3.06Å
202	G	35.1	Very low	41.7	Very low	76 Å²	76	120.5 Å²	120.5	78%	0.784	70%	0.7	S	S	*	*			trans	101	103.8	151.6	0	0	0	0	0	116.9
203	S	35.1	Very low	41.3	Very low	114 Å²	114	124 Å²	124	80%	0.797	73%	0.726	S	S	*	*			trans	54.7	119.5	142.9	-95.2	0	0	0	0	120.6
204	T	37.4	Very low	40.7	Very low	122 Å²	122	124.8 Å²	124.8	75%	0.748	73%	0.729	S	S	*	*	S	Bend	trans	68.3	106.3	146	35.7	0	0	0	0	118.4
205	S	40	Very low	40.1	Very low	112 Å²	112	126 Å²	126	78%	0.783	74%	0.741	S	S	*	*			trans	56.2	73.6	138.6	-58.2	0	0	0	0	117.5
206	Q	38.7	Very low	39.9	Very low	158 Å²	158	124.3 Å²	124.3	74%	0.738	74%	0.744	S	S	*	*			trans	-126.7	80.9	153	-64	-148.3	6.1	0	0	110.1	Y208	Q206-Y208 PolarHBondContact O-N 3.44Å
207	L	44.4	Very low	40.2	Very low	115 Å²	115	123.1 Å²	123.1	60%	0.602	75%	0.746	S	S	*	*	S	Bend	trans	-76.1	-4.9	170.5	-87	159.1	0	0	0	112.8	E72	E72-L207 WeakPolarHBondContact OE1-CD2 3.37Å
208	Y	43.4	Very low	40	Very low	114 Å²	114	123.1 Å²	123.1	45%	0.447	75%	0.746	S	S	.	*	S	Bend	trans	-135.1	139.2	176.7	-70.7	-84	0	0	0	109.9	N68 Q206 S210	N68-Y208 PolarHBondContact O-OH 3.33Å; Q206-Y208 PolarHBondContact O-N 3.44Å; Y208-S210 PolarHBondContact O-N 2.92Å
209	P	52.3	Low	40.4	Very low	99 Å²	99	126 Å²	126	64%	0.643	75%	0.754	S	S	*	*			trans	-58.8	133.2	170.2	24.8	-30.8	0	0	0	108.9	L211	P209-L211 PolarHBondContact O-N 3.09Å
210	S	45.7	Very low	40.5	Very low	73 Å²	73	126.6 Å²	126.6	51%	0.51	75%	0.751	S	S	.	*			trans	-63	103.1	178.1	-164.5	0	0	0	0	109.7	Y208 L212	Y208-S210 PolarHBondContact O-N 2.92Å; S210-L212 PolarHBondContact O-N 2.93Å
211	L	43.7	Very low	40.8	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	75%	0.751	S	S	*	*			trans	-75.6	7.7	173.9	-63	-177.7	0	0	0	112.6	P209 S213	P209-L211 PolarHBondContact O-N 3.09Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.45Å
212	L	42.3	Very low	41.2	Very low	162 Å²	162	126.3 Å²	126.3	85%	0.848	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	14.7	-173.1	-77.7	158.9	0	0	0	114.6	S210	S210-L212 PolarHBondContact O-N 2.93Å
213	S	42.9	Very low	42	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-0.5	170.5	75.3	0	0	0	0	115.2	L211 S215	L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.45Å; S213-S215 VanDerWaalsContact C-N 3.28Å; S213-S215 PolarHBondContact O-N 2.72Å
214	L	37.4	Very low	42.8	Very low	158 Å²	158	128.5 Å²	128.5	83%	0.827	74%	0.743	S	S	*	*			trans	-90.1	60.6	169.7	-75.7	97.7	0	0	0	111.4
215	S	35.6	Very low	43.6	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	75%	0.746	S	S	*	*			trans	-136.4	112.2	156.6	82.5	0	0	0	0	108.6	S213	S213-S215 VanDerWaalsContact C-N 3.28Å; S213-S215 PolarHBondContact O-N 2.72Å
216	S	36.9	Very low	43.8	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	74%	0.741	S	S	*	*			trans	131.5	57.6	158.5	-166.1	0	0	0	0	113.3
217	T	44.9	Very low	44.2	Very low	135 Å²	135	132.3 Å²	132.3	83%	0.828	75%	0.748	S	S	*	*			trans	-144.9	109.3	141.9	50	0	0	0	0	108.2	D219	T217-D219 PolarHBondContact O-N 3.23Å
218	N	38	Very low	44.1	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	76%	0.761	S	S	*	*			trans	-45.1	117.6	158.5	-85.9	-20.4	0	0	0	108.5
219	D	42.1	Very low	44	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	80%	0.796	S	S	*	*				-173.8	147.5	129	-94.6	-31.1	0	0	0	111.4	T217	T217-D219 PolarHBondContact O-N 3.23Å
220	H	40.5	Very low	43.6	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.806	80%	0.804	S	S	*	*			trans	-46.1	147.6	-175.5	-99.9	-101.3	0	0	0	115.6
221	L	43.7	Very low	43.4	Very low	162 Å²	162	148 Å²	148	85%	0.848	82%	0.819	S	S	*	*			trans	101.5	93.3	163.6	-59.7	151.7	0	0	0	115.5
222	A	45.5	Very low	43.4	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	82%	0.824	S	S	*	*			trans	-67.4	126.7	162.1	0	0	0	0	0	110	T224	A222-T224 PolarHBondContact O-N 3.21Å
223	P	52.7	Low	43.5	Very low	98 Å²	98	147.6 Å²	147.6	64%	0.636	82%	0.822	S	S	*	*			trans	-77.8	114.1	172.3	29.3	-28.5	0	0	0	109.6	Y225	P223-Y225 HydrophobicContact CB-CD2 4.33Å; P223-Y225 HydrophobicContact CB-CE2 3.93Å; P223-Y225 HydrophobicContact CG-CE2 4.15Å; P223-Y225 PolarHBondContact O-N 3.5Å
224	T	50.6	Low	43.5	Very low	139 Å²	139	150.3 Å²	150.3	85%	0.853	83%	0.828	S	S	*	*			trans	-70.3	106.9	167.3	-55.8	0	0	0	0	109.3	A222	A222-T224 PolarHBondContact O-N 3.21Å
225	Y	53.6	Low	43.9	Very low	204 Å²	204	149.7 Å²	149.7	80%	0.8	83%	0.828	S	S	*	*			trans	-93.8	101.2	164.1	-75.8	-83.8	0	0	0	108.9	P223	P223-Y225 HydrophobicContact CB-CD2 4.33Å; P223-Y225 HydrophobicContact CB-CE2 3.93Å; P223-Y225 HydrophobicContact CG-CE2 4.15Å; P223-Y225 PolarHBondContact O-N 3.5Å
226	G	45.8	Very low	44.5	Very low	66 Å²	66	153 Å²	153	68%	0.68	84%	0.835	S	S	*	*			trans	-100	114.7	170.4	0	0	0	0	0	110.4
227	F	45.9	Very low	45.1	Very low	202 Å²	202	155.8 Å²	155.8	89%	0.886	84%	0.836	S	S	*	*			trans	-91.6	110	155.3	-101.7	-89.8	0	0	0	107.4
228	K	43	Very low	45.1	Very low	203 Å²	203	157.5 Å²	157.5	88%	0.883	84%	0.837	S	S	*	*			trans	-95.4	106.8	159	-78.6	-175	176.5	-178.5	0	107.2
229	I	40.4	Very low	45.8	Very low	231 Å²	231	157.5 Å²	157.5	100%	1.185	84%	0.836	S	S	*	*			trans	-134.1	0	142.3	-61.1	-179	0	0	0	105.3

Retrieved 229 of 229 residues in 40 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).