A0A3Q0KGV9_SCHMA Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession A0A3Q0KGV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 aa.

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(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	43.4	Very low	46.5	Very low	232 Å²	232	168.4 Å²	168.4	100%	1.143	82%	0.823	S	S	*	*				0	84.9	0	-158.3	169	82.7	0	0	107.2
2	M	40.9	Very low	46.9	Very low	192 Å²	192	165.5 Å²	165.5	95%	0.946	81%	0.813	S	S	*	*			trans	-129.5	97.1	-176.1	-167	158.7	72.7	0	0	107.5
3	W	40.6	Very low	47.5	Very low	233 Å²	233	158.5 Å²	158.5	88%	0.883	80%	0.798	S	S	*	*			trans	-118.8	110.3	177.1	-81.9	97.2	0	0	0	107.5
4	M	44.1	Very low	48.4	Very low	167 Å²	167	155.4 Å²	155.4	82%	0.823	79%	0.791	S	S	*	*			trans	-160	90.8	160.7	-82.5	-172	69.6	0	0	107
5	I	51	Low	49.1	Very low	158 Å²	158	157.3 Å²	157.3	81%	0.81	79%	0.786	S	S	*	*				58.3	93.7	100.8	-54.1	166.7	0	0	0	112.8
6	I	47.9	Very low	50	Low	150 Å²	150	152.1 Å²	152.1	77%	0.769	78%	0.775	S	S	*	*			trans	-136.2	74.2	166.4	-46.5	175.5	0	0	0	108.3
7	F	45.6	Very low	50.8	Low	201 Å²	201	148.9 Å²	148.9	88%	0.882	77%	0.767	S	S	*	*			trans	-147.7	26	176.3	-88.1	-67.9	0	0	0	115.1
8	A	51.1	Low	51.8	Low	81 Å²	81	149.3 Å²	149.3	67%	0.669	77%	0.769	S	S	*	*			trans	-104	-8.7	-175.2	0	0	0	0	0	116.5
9	S	50.6	Low	52.5	Low	93 Å²	93	149.1 Å²	149.1	65%	0.65	76%	0.764	S	S	*	*	S	Bend	trans	-93.1	-12.8	-169	57.9	0	0	0	0	116.4
10	W	45	Very low	53	Low	220 Å²	220	146.8 Å²	146.8	83%	0.833	75%	0.752	S	S	*	*	S	Bend	trans	-87.1	-20.9	-176.3	-77.2	86.9	0	0	0	114.5	L12	W10-L12 VanDerWaalsContact C-N 3.35Å; W10-L12 PolarHBondContact O-N 3.17Å
11	I	51.2	Low	53.5	Low	125 Å²	125	148.7 Å²	148.7	64%	0.641	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-74.5	-25.9	-176.5	-64.3	174.9	0	0	0	112.1	A13	I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 3.37Å
12	L	51	Low	54.4	Low	134 Å²	134	140.4 Å²	140.4	70%	0.702	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-71.5	-23.7	-177.7	-86	153	0	0	0	114	W10 V14 Y15	W10-L12 VanDerWaalsContact C-N 3.35Å; W10-L12 PolarHBondContact O-N 3.17Å; L12-V14 PolarHBondContact O-N 2.75Å; L12-Y15 PolarHBondContact O-N 2.54Å
13	A	55.3	Low	55.4	Low	75 Å²	75	141.2 Å²	141.2	62%	0.62	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-68.7	-21.4	-178.3	0	0	0	0	0	113.3	I11 Y15	I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 3.37Å; A13-Y15 PolarHBondContact O-N 2.7Å
14	V	59.6	Low	56.4	Low	115 Å²	115	134.6 Å²	134.6	70%	0.697	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-69.1	-19.8	179.1	-175.1	0	0	0	0	111.7	L12	L12-V14 PolarHBondContact O-N 2.75Å
15	Y	59.7	Low	57.8	Low	183 Å²	183	134.9 Å²	134.9	72%	0.718	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-114.2	10.4	-171.6	-67.6	-76.1	0	0	0	114.7	L12 A13 P17	L12-Y15 PolarHBondContact O-N 2.54Å; A13-Y15 PolarHBondContact O-N 2.7Å; Y15-P17 WeakPolarHBondContact O-CD 3.39Å; Y15-P17 VanDerWaalsContact O-N 3.08Å
16	A	62.9	Low	59.3	Low	75 Å²	75	130.1 Å²	130.1	62%	0.62	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63	116.2	174	0	0	0	0	0	108.6	I18	A16-I18 PolarHBondContact O-N 3.3Å
17	P	64.2	Low	60.9	Low	97 Å²	97	128 Å²	128	63%	0.63	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.1	130.8	-179.9	23.7	-31	0	0	0	108.9	Y15 Q19	Y15-P17 WeakPolarHBondContact O-CD 3.39Å; Y15-P17 VanDerWaalsContact O-N 3.08Å; P17-Q19 PolarHBondContact O-N 3.28Å; P17-Q19 PolarHBondContact O-NE2 3.12Å
18	I	68.9	Low	63	Low	156 Å²	156	122.8 Å²	122.8	80%	0.8	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-54.8	117.2	174.7	-64	171.7	0	0	0	107.2	A16 I20	A16-I18 PolarHBondContact O-N 3.3Å; I18-I20 PolarHBondContact O-N 3.42Å
19	Q	64.6	Low	65	Low	146 Å²	146	120.8 Å²	120.8	68%	0.682	65%	0.654	S	S	*	*			trans	-78.1	102.1	175.7	-63.7	-64	-76.5	0	0	107.4	P17 H21	P17-Q19 PolarHBondContact O-N 3.28Å; P17-Q19 PolarHBondContact O-NE2 3.12Å; Q19-H21 PolarHBondContact O-N 3.33Å
20	I	61.6	Low	67.1	Low	103 Å²	103	117.1 Å²	117.1	53%	0.528	63%	0.626	S	S	.	*			trans	-77.4	119.2	173.1	-19.5	-175	0	0	0	106.8	I18 G22	I18-I20 PolarHBondContact O-N 3.42Å; I20-G22 PolarHBondContact O-N 3.05Å
21	H	64.3	Low	69.5	Low	186 Å²	186	109.4 Å²	109.4	86%	0.861	60%	0.601	S	S	*	*	S	Bend	trans	-76.2	103.9	177.2	-71	-63.7	0	0	0	109.6	Q19	Q19-H21 PolarHBondContact O-N 3.33Å
22	G	61.7	Low	71.7	Confident	58 Å²	58	109.4 Å²	109.4	60%	0.598	60%	0.603	S	S	*	*	S	Bend	trans	120.9	173.3	173.9	0	0	0	0	0	113.8	I20 V24	I20-G22 PolarHBondContact O-N 3.05Å; G22-V24 PolarHBondContact O-N 3.18Å
23	E	61.8	Low	73.9	Confident	209 Å²	209	107.3 Å²	107.3	98%	0.977	59%	0.59	S	S	*	*	S	Bend	trans	-75.9	32.2	174.6	-62.1	-179.9	166.2	0	0	112.2	E25	E23-E25 PolarHBondContact O-N 3.05Å
24	V	63.1	Low	76	Confident	94 Å²	94	103.8 Å²	103.8	57%	0.57	56%	0.56	S	S	*	*			trans	-86.8	104.5	179.8	-175.6	0	0	0	0	107.7	G22	G22-V24 PolarHBondContact O-N 3.18Å
25	E	72.3	Confident	77.8	Confident	174 Å²	174	100.6 Å²	100.6	81%	0.813	54%	0.538	S	S	*	.			trans	-56.1	141.7	167.4	-173.3	170.3	-166.9	0	0	109.9	E23 P27	E23-E25 PolarHBondContact O-N 3.05Å; E25-P27 WeakPolarHBondContact O-CD 3.43Å
26	D	82.4	Confident	79.7	Confident	57 Å²	57	97.5 Å²	97.5	31%	0.305	53%	0.53	S	S	.	.			trans	-63.2	107.2	-179.2	178.9	2.9	0	0	0	109.7	I28 A29	D26-I28 PolarHBondContact O-N 2.99Å; D26-I28 VanDerWaalsContact O-N 3.1Å; D26-I28 WeakPolarHBondContact OD1-CB 3.47Å; D26-I28 PolarHBondContact OD1-N 3.02Å; D26-A29 HydrophobicContact CB-CB 4.03Å; D26-A29 PolarHBondContact O-N 2.76Å
27	P	82.6	Confident	81.4	Confident	105 Å²	105	94.7 Å²	94.7	68%	0.682	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-7.5	-174.6	33	-36.6	0	0	0	112.5	E25	E25-P27 WeakPolarHBondContact O-CD 3.43Å
28	I	89.5	Confident	83	Confident	93 Å²	93	90.1 Å²	90.1	48%	0.477	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-29.9	177.1	-54.3	-57.3	0	0	0	111	D26 R94	D26-I28 PolarHBondContact O-N 2.99Å; D26-I28 VanDerWaalsContact O-N 3.1Å; D26-I28 WeakPolarHBondContact OD1-CB 3.47Å; D26-I28 PolarHBondContact OD1-N 3.02Å; I28-R94 PolarHBondContact O-NE 3.42Å
29	A	92.2	Very high	84.4	Confident	39 Å²	39	83 Å²	83	32%	0.322	44%	0.442	S	S	.	.	S	Bend	trans	-63.5	147.5	-178.2	0	0	0	0	0	111.5	D26 R94	D26-A29 HydrophobicContact CB-CB 4.03Å; D26-A29 PolarHBondContact O-N 2.76Å; A29-R94 WeakPolarHBondContact CA-O 3.4Å
30	L	95.8	Very high	86	Confident	15 Å²	15	79.3 Å²	79.3	8%	0.079	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-80.6	141.1	172.4	-67.9	171.3	0	0	0	110.3	V34 E35 L38 V91 R94 D154	L30-V34 HydrophobicContact CD2-CG1 4.01Å; L30-E35 HydrophobicContact CB-CB 4.13Å; L30-E35 HydrophobicContact CD1-CB 4.35Å; L30-L38 HydrophobicContact CD1-CD1 3.49Å; L30-L38 VanDerWaalsContact CD1-CD1 3.49Å; L30-L38 HydrophobicContact CD2-CD1 3.97Å; L30-L38 HydrophobicContact CG-CD1 4.4Å; L30-V91 HydrophobicContact CD1-CG2 4.48Å; L30-R94 HydrophobicContact CD1-CB 3.93Å; L30-R94 HydrophobicContact CD2-CB 4.09Å; L30-R94 HydrophobicContact CD2-CG 4.21Å; L30-R94 HydrophobicContact CG-CB 3.64Å; L30-R94 HydrophobicContact CG-CG 4.29Å; L30-D154 WeakPolarHBondContact CD2-OD2 3.17Å
31	D	95.5	Very high	87.7	Confident	58 Å²	58	74.5 Å²	74.5	31%	0.31	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-62.9	142.1	160.8	178.4	-87.6	0	0	0	109.5	Q33 V34 E35 M152	D31-Q33 PolarHBondContact O-N 2.82Å; D31-Q33 VanDerWaalsContact O-N 3.1Å; D31-Q33 VanDerWaalsContact OD1-CB 3.31Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.46Å; D31-Q33 PolarHBondContact OD1-N 3.39Å; D31-V34 HydrophobicContact CB-CG2 4.25Å; D31-V34 WeakPolarHBondContact O-CA 3.35Å; D31-V34 PolarHBondContact O-N 2.9Å; D31-E35 PolarHBondContact O-N 3.07Å; D31-M152 HydrophobicContact CB-CB 4.47Å; D31-M152 HydrophobicContact CB-CE 4.19Å; D31-M152 VanDerWaalsContact OD1-CE 3.26Å; D31-M152 WeakPolarHBondContact OD1-CE 3.45Å; D31-M152 WeakPolarHBondContact OD2-CE 3.26Å
32	N	96.4	Very high	89.4	Confident	126 Å²	126	65.8 Å²	65.8	67%	0.674	36%	0.362	S	S	*	.	H	α-helix	trans	-53.7	-35.1	-176.8	-68.6	-32.8	0	0	0	113.6	E36	N32-E36 WeakPolarHBondContact O-CB 3.21Å; N32-E36 PolarHBondContact O-N 3.27Å
33	Q	98	Very high	91	Very high	90 Å²	90	64.4 Å²	64.4	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-71.3	-36.7	178	-67.7	170.8	84.6	0	0	111.6	D31 G37 L148	D31-Q33 PolarHBondContact O-N 2.82Å; D31-Q33 VanDerWaalsContact O-N 3.1Å; D31-Q33 VanDerWaalsContact OD1-CB 3.31Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.46Å; D31-Q33 PolarHBondContact OD1-N 3.39Å; Q33-G37 PolarHBondContact O-N 3.02Å; Q33-L148 HydrophobicContact CB-CD1 4.26Å; Q33-L148 HydrophobicContact CB-CD2 4.12Å; Q33-L148 WeakPolarHBondContact O-CD2 3.41Å
34	V	98.4	Very high	92.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-41.1	176.5	-176.8	0	0	0	0	110.1	L30 D31 E36 G37 L38 L145 L148 M152 T157	L30-V34 HydrophobicContact CD2-CG1 4.01Å; D31-V34 HydrophobicContact CB-CG2 4.25Å; D31-V34 WeakPolarHBondContact O-CA 3.35Å; D31-V34 PolarHBondContact O-N 2.9Å; V34-E36 PolarHBondContact O-N 2.95Å; V34-G37 PolarHBondContact O-N 3.44Å; V34-L38 HydrophobicContact CG1-CD1 3.98Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 WeakPolarHBondContact O-CB 3.34Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.06Å; V34-L145 HydrophobicContact CG1-CD1 4.46Å; V34-L148 HydrophobicContact CG2-CG 4.31Å; V34-M152 HydrophobicContact CG2-CB 4.13Å; V34-M152 HydrophobicContact CG2-CG 3.99Å; V34-T157 HydrophobicContact CG1-CG2 3.79Å
35	E	98.5	Very high	94.2	Very high	48 Å²	48	50.1 Å²	50.1	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-47.3	171.4	169.4	175.2	152	0	0	111.6	L30 D31 L38 N39 S96	L30-E35 HydrophobicContact CB-CB 4.13Å; L30-E35 HydrophobicContact CD1-CB 4.35Å; D31-E35 PolarHBondContact O-N 3.07Å; E35-L38 PolarHBondContact O-N 2.94Å; E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 3.18Å; E35-N39 PolarHBondContact O-ND2 2.95Å; E35-S96 WeakPolarHBondContact CG-OG 3.49Å; E35-S96 WeakPolarHBondContact OE2-CB 3.43Å; E35-S96 PolarHBondContact OE2-OG 3.24Å
36	E	98.3	Very high	95.4	Very high	119 Å²	119	44 Å²	44	56%	0.556	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-46.4	177.9	-177.4	172	-160.1	0	0	111.2	N32 V34 L38 N39 D40	N32-E36 WeakPolarHBondContact O-CB 3.21Å; N32-E36 PolarHBondContact O-N 3.27Å; V34-E36 PolarHBondContact O-N 2.95Å; E36-L38 PolarHBondContact O-N 2.97Å; E36-N39 WeakPolarHBondContact O-CB 3.3Å; E36-N39 PolarHBondContact O-N 3.11Å; E36-D40 PolarHBondContact O-N 3.19Å
37	G	98.6	Very high	95.9	Very high	16 Å²	16	42.3 Å²	42.3	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-37.3	178.7	0	0	0	0	0	113.7	Q33 V34 D40 Q41	Q33-G37 PolarHBondContact O-N 3.02Å; V34-G37 PolarHBondContact O-N 3.44Å; G37-D40 PolarHBondContact O-N 3.27Å; G37-Q41 PolarHBondContact O-N 2.96Å
38	L	98.8	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-40.2	172.2	-75.9	162.9	0	0	0	111.3	L30 V34 E35 E36 Q41 I42 F87 F90 V91 L145 T157 F160	L30-L38 HydrophobicContact CD1-CD1 3.49Å; L30-L38 VanDerWaalsContact CD1-CD1 3.49Å; L30-L38 HydrophobicContact CD2-CD1 3.97Å; L30-L38 HydrophobicContact CG-CD1 4.4Å; V34-L38 HydrophobicContact CG1-CD1 3.98Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 WeakPolarHBondContact O-CB 3.34Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.06Å; E35-L38 PolarHBondContact O-N 2.94Å; E36-L38 PolarHBondContact O-N 2.97Å; L38-Q41 PolarHBondContact O-N 3.1Å; L38-I42 VanDerWaalsContact O-CG1 3.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.38Å; L38-I42 PolarHBondContact O-N 3.02Å; L38-F87 HydrophobicContact CD2-CD1 3.68Å; L38-F87 HydrophobicContact CD2-CE1 3.9Å; L38-F90 HydrophobicContact CD1-CD1 4.1Å; L38-F90 HydrophobicContact CD1-CE1 4.11Å; L38-F90 HydrophobicContact CD2-CD1 4.19Å; L38-F90 HydrophobicContact CD2-CE1 4.49Å; L38-V91 HydrophobicContact CB-CG2 3.55Å; L38-V91 HydrophobicContact CD1-CG2 3.95Å; L38-V91 HydrophobicContact CG-CG2 4.25Å; L38-L145 HydrophobicContact CD2-CD2 3.77Å; L38-L145 HydrophobicContact CG-CD2 4Å; L38-T157 HydrophobicContact CD1-CG2 4.38Å; L38-T157 HydrophobicContact CD2-CG2 4.44Å; L38-F160 HydrophobicContact CD2-CE1 4.45Å
39	N	98.6	Very high	96.7	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-35.1	174.7	-84.3	-70	0	0	0	113.1	E35 E36 L43 K97 V98 V99	E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 3.18Å; E35-N39 PolarHBondContact O-ND2 2.95Å; E36-N39 WeakPolarHBondContact O-CB 3.3Å; E36-N39 PolarHBondContact O-N 3.11Å; N39-L43 PolarHBondContact O-N 3.44Å; N39-K97 PolarHBondContact ND2-O 3.25Å; N39-K97 VanDerWaalsContact ND2-O 3.09Å; N39-V98 WeakPolarHBondContact OD1-CA 2.93Å; N39-V99 PolarHBondContact OD1-N 2.98Å
40	D	97.4	Very high	96.7	Very high	69 Å²	69	38 Å²	38	37%	0.369	19%	0.186	S	C	.	.	H	α-helix	trans	-64.2	-41	169.5	-80.1	-29	0	0	0	111.7	E36 G37 L43 N44 K101	E36-D40 PolarHBondContact O-N 3.19Å; G37-D40 PolarHBondContact O-N 3.27Å; D40-L43 WeakPolarHBondContact O-CB 3.33Å; D40-L43 PolarHBondContact O-N 3.22Å; D40-N44 PolarHBondContact O-N 3.5Å; D40-K101 IonicContact OD1-NZ 3.73Å; D40-K101 PolarHBondContact OD1-NZ 2.88Å
41	Q	98.4	Very high	96.5	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-40.7	176.7	-169.2	59.7	24.4	0	0	111.7	G37 L38 L43 N44 E45 F87 I142 L145	G37-Q41 PolarHBondContact O-N 2.96Å; L38-Q41 PolarHBondContact O-N 3.1Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 2.96Å; Q41-N44 WeakPolarHBondContact O-CA 3.15Å; Q41-N44 VanDerWaalsContact O-CB 3.28Å; Q41-N44 WeakPolarHBondContact O-CB 3.47Å; Q41-N44 PolarHBondContact O-N 3.38Å; Q41-N44 PolarHBondContact OE1-ND2 3.35Å; Q41-E45 PolarHBondContact NE2-OE1 3.11Å; Q41-E45 WeakPolarHBondContact O-CG 3.4Å; Q41-E45 PolarHBondContact O-N 2.77Å; Q41-F87 HydrophobicContact CB-CD1 4.19Å; Q41-F87 HydrophobicContact CB-CE1 4.03Å; Q41-F87 HydrophobicContact CG-CD1 3.96Å; Q41-F87 HydrophobicContact CG-CD2 4.36Å; Q41-F87 HydrophobicContact CG-CE1 3.48Å; Q41-F87 VanDerWaalsContact CG-CE1 3.48Å; Q41-F87 HydrophobicContact CG-CE2 3.94Å; Q41-F87 HydrophobicContact CG-CG 4.4Å; Q41-F87 HydrophobicContact CG-CZ 3.5Å; Q41-I142 HydrophobicContact CG-CG1 4.4Å; Q41-L145 HydrophobicContact CB-CD2 4.32Å
42	I	98.6	Very high	96.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-55	-45.2	173	-68.8	165.1	0	0	0	111	L38 N44 Y46 F87 V91 V98 L100	L38-I42 VanDerWaalsContact O-CG1 3.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.38Å; L38-I42 PolarHBondContact O-N 3.02Å; I42-N44 VanDerWaalsContact C-N 3.33Å; I42-Y46 HydrophobicContact CG2-CD2 3.75Å; I42-Y46 HydrophobicContact CG2-CE2 3.51Å; I42-Y46 WeakPolarHBondContact O-CD2 3.2Å; I42-Y46 PolarHBondContact O-N 3.35Å; I42-Y46 VanDerWaalsContact O-N 3.14Å; I42-F87 HydrophobicContact CD1-CB 4.31Å; I42-F87 HydrophobicContact CG1-CB 3.52Å; I42-V91 HydrophobicContact CD1-CG2 4.12Å; I42-V98 HydrophobicContact CD1-CG1 4.03Å; I42-V98 HydrophobicContact CD1-CG2 4.05Å; I42-L100 HydrophobicContact CG2-CD2 4.06Å
43	L	95.6	Very high	96.4	Very high	29 Å²	29	32.4 Å²	32.4	15%	0.152	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-44.3	174.5	171.5	64.4	0	0	0	111.1	N39 D40 Q41 E45 Y46 E47 K101 I103	N39-L43 PolarHBondContact O-N 3.44Å; D40-L43 WeakPolarHBondContact O-CB 3.33Å; D40-L43 PolarHBondContact O-N 3.22Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 2.96Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.33Å; L43-Y46 PolarHBondContact O-N 2.88Å; L43-E47 HydrophobicContact CD1-CG 4.12Å; L43-E47 HydrophobicContact CG-CG 4.38Å; L43-E47 WeakPolarHBondContact O-CG 3.42Å; L43-E47 PolarHBondContact O-N 3.13Å; L43-K101 HydrophobicContact CB-CB 4.4Å; L43-K101 HydrophobicContact CD1-CB 4.08Å; L43-K101 HydrophobicContact CD2-CB 3.88Å; L43-K101 HydrophobicContact CD2-CD 4.02Å; L43-K101 HydrophobicContact CG-CB 4.34Å; L43-I103 HydrophobicContact CD1-CG1 4.43Å
44	N	95	Very high	96.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-41.4	-178.3	-161.3	13.6	0	0	0	112.4	D40 Q41 I42 E47 A48 K134 V138 H141	D40-N44 PolarHBondContact O-N 3.5Å; Q41-N44 WeakPolarHBondContact O-CA 3.15Å; Q41-N44 VanDerWaalsContact O-CB 3.28Å; Q41-N44 WeakPolarHBondContact O-CB 3.47Å; Q41-N44 PolarHBondContact O-N 3.38Å; Q41-N44 PolarHBondContact OE1-ND2 3.35Å; I42-N44 VanDerWaalsContact C-N 3.33Å; N44-E47 PolarHBondContact O-N 3.12Å; N44-A48 PolarHBondContact O-N 3.43Å; N44-K134 PolarHBondContact O-NZ 3.34Å; N44-K134 PolarHBondContact OD1-NZ 3.35Å; N44-V138 WeakPolarHBondContact ND2-CA 3.43Å; N44-H141 PolarHBondContact ND2-ND1 3.32Å
45	E	98.1	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-41.4	175.5	-56.2	-50.3	174.7	0	0	112.1	Q41 L43 E47 A48 F49 H83 A84 F87	Q41-E45 PolarHBondContact NE2-OE1 3.11Å; Q41-E45 WeakPolarHBondContact O-CG 3.4Å; Q41-E45 PolarHBondContact O-N 2.77Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.33Å; E45-E47 VanDerWaalsContact C-N 3.31Å; E45-E47 PolarHBondContact O-N 2.96Å; E45-A48 WeakPolarHBondContact O-CB 3.15Å; E45-A48 PolarHBondContact O-N 3.23Å; E45-F49 PolarHBondContact O-N 2.96Å; E45-H83 HydrophobicContact CB-CB 4.38Å; E45-H83 HydrophobicContact CG-CB 3.9Å; E45-A84 HydrophobicContact CB-CB 3.65Å; E45-F87 HydrophobicContact CG-CD2 4.19Å; E45-F87 HydrophobicContact CG-CE2 4.41Å
46	Y	96.3	Very high	95.9	Very high	47 Å²	47	28 Å²	28	18%	0.184	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-34.9	173.7	-79.4	-58.3	0	0	0	112.6	I42 L43 Y50 L81 A84 L100 I103	I42-Y46 HydrophobicContact CG2-CD2 3.75Å; I42-Y46 HydrophobicContact CG2-CE2 3.51Å; I42-Y46 WeakPolarHBondContact O-CD2 3.2Å; I42-Y46 PolarHBondContact O-N 3.35Å; I42-Y46 VanDerWaalsContact O-N 3.14Å; L43-Y46 PolarHBondContact O-N 2.88Å; Y46-Y50 WeakPolarHBondContact O-CB 3.33Å; Y46-Y50 PolarHBondContact O-N 3.45Å; Y46-L81 HydrophobicContact CD1-CD1 4.1Å; Y46-L81 HydrophobicContact CE1-CD1 3.57Å; Y46-A84 HydrophobicContact CD1-CB 3.93Å; Y46-A84 HydrophobicContact CD2-CB 3.93Å; Y46-A84 HydrophobicContact CE1-CB 3.79Å; Y46-A84 HydrophobicContact CE2-CB 3.76Å; Y46-A84 HydrophobicContact CG-CB 3.99Å; Y46-L100 HydrophobicContact CD2-CD2 4.45Å; Y46-L100 HydrophobicContact CE2-CD2 3.74Å; Y46-I103 HydrophobicContact CG-CD1 4.42Å
47	E	92.5	Very high	95.7	Very high	20 Å²	20	25.2 Å²	25.2	9%	0.093	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-41	171.9	-74.9	-175.7	153.4	0	0	111.2	L43 N44 E45 Y50 I51 I103 R108 K134	L43-E47 HydrophobicContact CD1-CG 4.12Å; L43-E47 HydrophobicContact CG-CG 4.38Å; L43-E47 WeakPolarHBondContact O-CG 3.42Å; L43-E47 PolarHBondContact O-N 3.13Å; N44-E47 PolarHBondContact O-N 3.12Å; E45-E47 VanDerWaalsContact C-N 3.31Å; E45-E47 PolarHBondContact O-N 2.96Å; E47-Y50 PolarHBondContact O-N 3.09Å; E47-I51 WeakPolarHBondContact O-CB 3.36Å; E47-I51 VanDerWaalsContact O-CG1 3.26Å; E47-I51 WeakPolarHBondContact O-CG1 3.37Å; E47-I51 PolarHBondContact O-N 2.99Å; E47-I103 HydrophobicContact CG-CG2 3.95Å; E47-R108 IonicContact OE1-CZ 3.46Å; E47-R108 IonicContact OE1-NH1 3.84Å; E47-R108 PolarHBondContact OE1-NH1 3.48Å; E47-R108 IonicContact OE2-NH1 3.59Å; E47-K134 IonicContact OE2-NZ 3.59Å
48	A	94	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-49.6	175.5	0	0	0	0	0	111.4	N44 E45 Y50 I51 Y52 E80 K134	N44-A48 PolarHBondContact O-N 3.43Å; E45-A48 WeakPolarHBondContact O-CB 3.15Å; E45-A48 PolarHBondContact O-N 3.23Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 3.17Å; A48-I51 PolarHBondContact O-N 3.41Å; A48-Y52 PolarHBondContact O-N 2.69Å; A48-E80 HydrophobicContact CB-CB 4.08Å; A48-E80 HydrophobicContact CB-CG 3.78Å; A48-K134 VanDerWaalsContact CA-CE 3.46Å; A48-K134 HydrophobicContact CB-CD 4.43Å; A48-K134 HydrophobicContact CB-CG 4.07Å
49	F	96.1	Very high	95.4	Very high	48 Å²	48	25.2 Å²	25.2	21%	0.211	12%	0.124	C	C	.	.	H	α-helix	trans	-50.3	-50.3	171.8	161.8	-107	0	0	0	111.8	E45 I51 Y52 D53 A77 E80 L81	E45-F49 PolarHBondContact O-N 2.96Å; F49-I51 PolarHBondContact O-N 3.22Å; F49-Y52 PolarHBondContact O-N 3.39Å; F49-D53 WeakPolarHBondContact O-CB 3.31Å; F49-D53 PolarHBondContact O-N 3.3Å; F49-A77 HydrophobicContact CD2-CB 3.97Å; F49-A77 VanDerWaalsContact CD2-O 3.28Å; F49-A77 WeakPolarHBondContact CD2-O 3.49Å; F49-A77 HydrophobicContact CE2-CB 4.36Å; F49-E80 HydrophobicContact CB-CB 4.16Å; F49-L81 HydrophobicContact CD2-CB 3.93Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CE2-CD2 4.21Å; F49-L81 HydrophobicContact CG-CB 4.25Å; F49-L81 HydrophobicContact CZ-CD2 4.49Å
50	Y	92.6	Very high	95.3	Very high	99 Å²	99	27.7 Å²	27.7	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-65.4	-39.6	-177.2	-165.7	-88.3	0	0	0	112.5	Y46 E47 A48 H54 I103 L104 M119	Y46-Y50 WeakPolarHBondContact O-CB 3.33Å; Y46-Y50 PolarHBondContact O-N 3.45Å; E47-Y50 PolarHBondContact O-N 3.09Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 3.17Å; Y50-H54 WeakPolarHBondContact O-CB 3.45Å; Y50-H54 PolarHBondContact O-N 3.05Å; Y50-H54 VanDerWaalsContact O-N 3.08Å; Y50-I103 HydrophobicContact CG-CG2 4.28Å; Y50-L104 HydrophobicContact CD1-CD1 4.47Å; Y50-L104 HydrophobicContact CD1-CD2 4.12Å; Y50-L104 HydrophobicContact CE1-CD1 3.69Å; Y50-L104 HydrophobicContact CE1-CD2 4.02Å; Y50-L104 HydrophobicContact CE1-CG 4.2Å; Y50-L104 HydrophobicContact CE2-CD1 4.37Å; Y50-M119 HydrophobicContact CE1-CE 4.36Å
51	I	91.4	Very high	95.3	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-46.5	175.8	-70.8	165.6	0	0	0	110.1	E47 A48 F49 H54 M55 T130 K134	E47-I51 WeakPolarHBondContact O-CB 3.36Å; E47-I51 VanDerWaalsContact O-CG1 3.26Å; E47-I51 WeakPolarHBondContact O-CG1 3.37Å; E47-I51 PolarHBondContact O-N 2.99Å; A48-I51 PolarHBondContact O-N 3.41Å; F49-I51 PolarHBondContact O-N 3.22Å; I51-H54 WeakPolarHBondContact O-CB 3.24Å; I51-H54 PolarHBondContact O-N 3.17Å; I51-M55 HydrophobicContact CG2-CE 3.67Å; I51-M55 HydrophobicContact CG2-SD 4.49Å; I51-M55 WeakPolarHBondContact O-CG 3.32Å; I51-M55 PolarHBondContact O-N 3.1Å; I51-T130 HydrophobicContact CG2-CG2 4.3Å; I51-K134 HydrophobicContact CD1-CD 3.98Å; I51-K134 HydrophobicContact CD1-CG 4.31Å
52	Y	95.4	Very high	95.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-42.1	179.5	-70.7	-10.5	0	0	0	112.5	A48 F49 H54 M55 V56 F73 E80 A131 E135	A48-Y52 PolarHBondContact O-N 2.69Å; F49-Y52 PolarHBondContact O-N 3.39Å; Y52-H54 PolarHBondContact O-N 3.45Å; Y52-M55 HydrophobicContact CD1-CE 4.15Å; Y52-M55 HydrophobicContact CD1-SD 3.57Å; Y52-M55 VanDerWaalsContact CD1-SD 3.57Å; Y52-M55 HydrophobicContact CE1-CE 4.21Å; Y52-M55 HydrophobicContact CE1-SD 4Å; Y52-M55 WeakPolarHBondContact O-CB 3.4Å; Y52-M55 PolarHBondContact O-N 2.91Å; Y52-M55 VanDerWaalsContact O-N 3.09Å; Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.35Å; Y52-V56 PolarHBondContact O-N 3.39Å; Y52-F73 HydrophobicContact CD1-CD1 4.01Å; Y52-F73 HydrophobicContact CD1-CE1 4.17Å; Y52-F73 HydrophobicContact CE1-CD1 4.33Å; Y52-F73 HydrophobicContact CE1-CE1 4.07Å; Y52-F73 HydrophobicContact CG-CD1 4.2Å; Y52-E80 HydrophobicContact CD2-CG 3.82Å; Y52-E80 HydrophobicContact CE2-CG 3.85Å; Y52-A131 HydrophobicContact CE1-CB 3.79Å; Y52-E135 WeakPolarHBondContact OH-CG 3.35Å; Y52-E135 PolarHBondContact OH-OE1 3.15Å
53	D	94.3	Very high	95.1	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-63.5	-30.3	174.9	-162.3	54.7	0	0	0	112.2	F49 V56 S57	F49-D53 WeakPolarHBondContact O-CB 3.31Å; F49-D53 PolarHBondContact O-N 3.3Å; D53-V56 WeakPolarHBondContact O-CB 3.43Å; D53-V56 PolarHBondContact O-N 3.31Å; D53-S57 PolarHBondContact O-N 3.31Å; D53-S57 PolarHBondContact O-OG 2.82Å; D53-S57 VanDerWaalsContact O-OG 3.08Å
54	H	90.8	Very high	95	Very high	45 Å²	45	41.3 Å²	41.3	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-70.9	-40.5	171.7	-169.6	-127.3	0	0	0	113.4	Y50 I51 Y52 V56 S57 Y58 M119 F121	Y50-H54 WeakPolarHBondContact O-CB 3.45Å; Y50-H54 PolarHBondContact O-N 3.05Å; Y50-H54 VanDerWaalsContact O-N 3.08Å; I51-H54 WeakPolarHBondContact O-CB 3.24Å; I51-H54 PolarHBondContact O-N 3.17Å; Y52-H54 PolarHBondContact O-N 3.45Å; H54-V56 VanDerWaalsContact C-N 3.28Å; H54-V56 PolarHBondContact O-N 2.89Å; H54-S57 WeakPolarHBondContact O-CB 3.15Å; H54-S57 PolarHBondContact O-N 3.07Å; H54-S57 VanDerWaalsContact O-N 3.14Å; H54-Y58 PolarHBondContact O-N 3.12Å; H54-Y58 VanDerWaalsContact O-N 3.09Å; H54-M119 HydrophobicContact CB-CE 3.68Å; H54-M119 HydrophobicContact CB-SD 4.44Å; H54-M119 PolarHBondContact CE1-O 3.35Å; H54-M119 WeakPolarHBondContact ND1-CE 3.45Å; H54-M119 PolarHBondContact ND1-SD 3.22Å; H54-F121 AromaticContact ND1-CE2 3.89Å
55	M	95.3	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-43.5	171.2	-66.2	174.4	175.6	0	0	111	I51 Y52 S57 Y58 L59 F73 F121 V127 T130 A131	I51-M55 HydrophobicContact CG2-CE 3.67Å; I51-M55 HydrophobicContact CG2-SD 4.49Å; I51-M55 WeakPolarHBondContact O-CG 3.32Å; I51-M55 PolarHBondContact O-N 3.1Å; Y52-M55 HydrophobicContact CD1-CE 4.15Å; Y52-M55 HydrophobicContact CD1-SD 3.57Å; Y52-M55 VanDerWaalsContact CD1-SD 3.57Å; Y52-M55 HydrophobicContact CE1-CE 4.21Å; Y52-M55 HydrophobicContact CE1-SD 4Å; Y52-M55 WeakPolarHBondContact O-CB 3.4Å; Y52-M55 PolarHBondContact O-N 2.91Å; Y52-M55 VanDerWaalsContact O-N 3.09Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 3.2Å; M55-Y58 PolarHBondContact O-N 2.91Å; M55-L59 WeakPolarHBondContact O-CB 3.45Å; M55-L59 WeakPolarHBondContact O-CD1 3.49Å; M55-L59 VanDerWaalsContact O-CG 3.24Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 3.27Å; M55-F73 HydrophobicContact CB-CG 4.45Å; M55-F73 HydrophobicContact SD-CD1 3.82Å; M55-F73 HydrophobicContact SD-CE1 3.63Å; M55-F73 HydrophobicContact SD-CG 4.47Å; M55-F73 HydrophobicContact SD-CZ 4.12Å; M55-F121 HydrophobicContact CB-CE2 4.45Å; M55-F121 HydrophobicContact CE-CE1 4.37Å; M55-F121 HydrophobicContact CE-CZ 4.15Å; M55-F121 HydrophobicContact CG-CE1 4.33Å; M55-F121 HydrophobicContact CG-CE2 3.84Å; M55-F121 HydrophobicContact CG-CZ 3.55Å; M55-V127 HydrophobicContact CB-CG1 4.01Å; M55-V127 HydrophobicContact CE-CG1 4.43Å; M55-V127 WeakPolarHBondContact CE-O 3.33Å; M55-V127 HydrophobicContact CG-CG1 3.88Å; M55-V127 HydrophobicContact SD-CG1 3.69Å; M55-T130 HydrophobicContact CE-CG2 3.36Å; M55-A131 HydrophobicContact CE-CB 4.11Å; M55-A131 HydrophobicContact SD-CB 4.4Å
56	V	97.2	Very high	95.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-43.9	175.2	172.9	0	0	0	0	111.1	Y52 D53 H54 Y58 L59 S60 A70 F73 R74	Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.35Å; Y52-V56 PolarHBondContact O-N 3.39Å; D53-V56 WeakPolarHBondContact O-CB 3.43Å; D53-V56 PolarHBondContact O-N 3.31Å; H54-V56 VanDerWaalsContact C-N 3.28Å; H54-V56 PolarHBondContact O-N 2.89Å; V56-Y58 VanDerWaalsContact C-N 3.34Å; V56-Y58 PolarHBondContact O-N 3.46Å; V56-L59 PolarHBondContact O-N 3.34Å; V56-S60 VanDerWaalsContact O-CB 3.24Å; V56-S60 WeakPolarHBondContact O-CB 3.24Å; V56-S60 PolarHBondContact O-N 3.39Å; V56-S60 PolarHBondContact O-OG 2.97Å; V56-A70 HydrophobicContact CG1-CB 4.49Å; V56-F73 HydrophobicContact CG2-CB 3.64Å; V56-R74 HydrophobicContact CG1-CB 4.3Å; V56-R74 HydrophobicContact CG2-CB 3.89Å
57	S	94.4	Very high	95.1	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-39.9	178	-64.7	0	0	0	0	112.5	D53 H54 M55 R61	D53-S57 PolarHBondContact O-N 3.31Å; D53-S57 PolarHBondContact O-OG 2.82Å; D53-S57 VanDerWaalsContact O-OG 3.08Å; H54-S57 WeakPolarHBondContact O-CB 3.15Å; H54-S57 PolarHBondContact O-N 3.07Å; H54-S57 VanDerWaalsContact O-N 3.14Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 3.2Å; S57-R61 WeakPolarHBondContact O-CG 3.27Å
58	Y	95	Very high	95.4	Very high	14 Å²	14	44.3 Å²	44.3	6%	0.055	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-51.1	173.6	164.9	-106.3	0	0	0	112.3	H54 M55 V56 S60 R61 V64 F121 K122 N123 V127	H54-Y58 PolarHBondContact O-N 3.12Å; H54-Y58 VanDerWaalsContact O-N 3.09Å; M55-Y58 PolarHBondContact O-N 2.91Å; V56-Y58 VanDerWaalsContact C-N 3.34Å; V56-Y58 PolarHBondContact O-N 3.46Å; Y58-S60 PolarHBondContact O-N 2.95Å; Y58-R61 WeakPolarHBondContact O-CB 2.94Å; Y58-R61 WeakPolarHBondContact O-CG 3.47Å; Y58-R61 PolarHBondContact O-N 3.24Å; Y58-R61 VanDerWaalsContact O-N 3.11Å; Y58-V64 HydrophobicContact CD2-CG2 3.93Å; Y58-V64 HydrophobicContact CE1-CG1 3.96Å; Y58-V64 HydrophobicContact CE1-CG2 4.49Å; Y58-V64 HydrophobicContact CE2-CG1 4.35Å; Y58-V64 HydrophobicContact CE2-CG2 3.42Å; Y58-V64 VanDerWaalsContact CE2-CG2 3.42Å; Y58-V64 WeakPolarHBondContact O-CG2 3.37Å; Y58-F121 HydrophobicContact CD1-CB 3.58Å; Y58-F121 HydrophobicContact CD1-CD2 4.03Å; Y58-F121 HydrophobicContact CD1-CG 4.07Å; Y58-F121 HydrophobicContact CD2-CB 3.95Å; Y58-F121 HydrophobicContact CE1-CB 3.59Å; Y58-F121 HydrophobicContact CE1-CG 4.46Å; Y58-F121 HydrophobicContact CE2-CB 3.96Å; Y58-F121 WeakPolarHBondContact CE2-O 3.26Å; Y58-F121 HydrophobicContact CG-CB 3.77Å; Y58-F121 AromaticContact CG-CD2 3.92Å; Y58-F121 HydrophobicContact CG-CD2 3.92Å; Y58-F121 HydrophobicContact CG-CG 4.27Å; Y58-K122 PolarHBondContact OH-O 3.14Å; Y58-N123 VanDerWaalsContact OH-CA 3.27Å; Y58-N123 WeakPolarHBondContact OH-CA 3.23Å; Y58-N123 PolarHBondContact OH-N 2.72Å; Y58-N123 VanDerWaalsContact OH-N 3.07Å; Y58-V127 HydrophobicContact CD1-CG2 3.76Å; Y58-V127 HydrophobicContact CE1-CG2 3.81Å
59	L	97	Very high	95.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-25.7	-176.4	-67.5	164.9	0	0	0	113	M55 V56 R61 L66 F69 A70 F73 I124 V127	M55-L59 WeakPolarHBondContact O-CB 3.45Å; M55-L59 WeakPolarHBondContact O-CD1 3.49Å; M55-L59 VanDerWaalsContact O-CG 3.24Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 3.27Å; V56-L59 PolarHBondContact O-N 3.34Å; L59-R61 VanDerWaalsContact C-N 3.32Å; L59-L66 HydrophobicContact CD2-CB 3.91Å; L59-L66 HydrophobicContact CD2-CD1 3.94Å; L59-L66 CarbonylContact O-C 3.52Å; L59-L66 PolarHBondContact O-N 2.98Å; L59-F69 HydrophobicContact CD1-CB 3.87Å; L59-F69 HydrophobicContact CD2-CB 4.04Å; L59-F69 HydrophobicContact CG-CB 4.44Å; L59-A70 HydrophobicContact CB-CB 3.77Å; L59-F73 HydrophobicContact CD1-CB 4.46Å; L59-F73 HydrophobicContact CD1-CD2 3.58Å; L59-F73 HydrophobicContact CD1-CE2 4.26Å; L59-F73 HydrophobicContact CD1-CG 4.34Å; L59-I124 HydrophobicContact CD2-CD1 3.87Å; L59-V127 HydrophobicContact CD1-CG1 4.24Å; L59-V127 HydrophobicContact CD2-CG2 4.46Å
60	S	96.7	Very high	95.8	Very high	58 Å²	58	42.2 Å²	42.2	41%	0.406	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.5	178.3	-58.7	0	0	0	0	114	V56 Y58 A70	V56-S60 VanDerWaalsContact O-CB 3.24Å; V56-S60 WeakPolarHBondContact O-CB 3.24Å; V56-S60 PolarHBondContact O-N 3.39Å; V56-S60 PolarHBondContact O-OG 2.97Å; Y58-S60 PolarHBondContact O-N 2.95Å; S60-A70 WeakPolarHBondContact OG-CB 3.45Å
61	R	96.1	Very high	96.1	Very high	91 Å²	91	41.5 Å²	41.5	34%	0.343	24%	0.238	S	C	.	.	S	Bend	trans	-69.9	135.4	-179.5	-60.5	-177.5	-169.5	168.7	3	110.6	S57 Y58 L59 E63 V64 G65	S57-R61 WeakPolarHBondContact O-CG 3.27Å; Y58-R61 WeakPolarHBondContact O-CB 2.94Å; Y58-R61 WeakPolarHBondContact O-CG 3.47Å; Y58-R61 PolarHBondContact O-N 3.24Å; Y58-R61 VanDerWaalsContact O-N 3.11Å; L59-R61 VanDerWaalsContact C-N 3.32Å; R61-E63 WeakPolarHBondContact CB-OE1 3.49Å; R61-E63 WeakPolarHBondContact CB-OE2 3.37Å; R61-E63 WeakPolarHBondContact CD-OE1 3.5Å; R61-E63 PolarHBondContact O-N 3.46Å; R61-V64 HydrophobicContact CB-CB 4.42Å; R61-V64 HydrophobicContact CB-CG2 4.06Å; R61-V64 PolarHBondContact O-N 2.92Å; R61-G65 PolarHBondContact O-N 3.35Å
62	P	96.9	Very high	96.4	Very high	125 Å²	125	41.6 Å²	41.6	81%	0.812	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.8	-178.1	-27.6	35.6	0	0	0	114.7	V64	P62-V64 VanDerWaalsContact C-N 3.3Å
63	E	95.7	Very high	96.6	Very high	141 Å²	141	41.5 Å²	41.5	66%	0.659	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.7	177.7	71.2	-80	-172.8	0	0	113.9	R61	R61-E63 WeakPolarHBondContact CB-OE1 3.49Å; R61-E63 WeakPolarHBondContact CB-OE2 3.37Å; R61-E63 WeakPolarHBondContact CD-OE1 3.5Å; R61-E63 PolarHBondContact O-N 3.46Å
64	V	95.4	Very high	96.8	Very high	33 Å²	33	43.8 Å²	43.8	20%	0.2	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-47.2	173.2	179.9	0	0	0	0	109.7	Y58 R61 P62 L66	Y58-V64 HydrophobicContact CD2-CG2 3.93Å; Y58-V64 HydrophobicContact CE1-CG1 3.96Å; Y58-V64 HydrophobicContact CE1-CG2 4.49Å; Y58-V64 HydrophobicContact CE2-CG1 4.35Å; Y58-V64 HydrophobicContact CE2-CG2 3.42Å; Y58-V64 VanDerWaalsContact CE2-CG2 3.42Å; Y58-V64 WeakPolarHBondContact O-CG2 3.37Å; R61-V64 HydrophobicContact CB-CB 4.42Å; R61-V64 HydrophobicContact CB-CG2 4.06Å; R61-V64 PolarHBondContact O-N 2.92Å; P62-V64 VanDerWaalsContact C-N 3.3Å; V64-L66 HydrophobicContact CG1-CB 4.3Å; V64-L66 HydrophobicContact CG1-CD1 4.04Å; V64-L66 HydrophobicContact CG1-CG 4.07Å; V64-L66 PolarHBondContact O-N 3.32Å
65	G	95.6	Very high	97.2	Very high	48 Å²	48	46.8 Å²	46.8	50%	0.495	26%	0.255	S	S	.	.			trans	70.9	29.7	168.6	0	0	0	0	0	115.6	R61	R61-G65 PolarHBondContact O-N 3.35Å
66	L	97.9	Very high	97.3	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	26%	0.26	C	S	.	.			trans	-113.2	57.7	-175.8	-63.7	179.4	0	0	0	112.4	L59 V64 G68 F69 A70 I124 V189 D193	L59-L66 HydrophobicContact CD2-CB 3.91Å; L59-L66 HydrophobicContact CD2-CD1 3.94Å; L59-L66 CarbonylContact O-C 3.52Å; L59-L66 PolarHBondContact O-N 2.98Å; V64-L66 HydrophobicContact CG1-CB 4.3Å; V64-L66 HydrophobicContact CG1-CD1 4.04Å; V64-L66 HydrophobicContact CG1-CG 4.07Å; V64-L66 PolarHBondContact O-N 3.32Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 2.72Å; L66-F69 HydrophobicContact CB-CB 4.27Å; L66-F69 HydrophobicContact CB-CD2 4.12Å; L66-F69 HydrophobicContact CD1-CD2 4.41Å; L66-F69 HydrophobicContact CD2-CD2 4.29Å; L66-F69 PolarHBondContact O-N 3.14Å; L66-A70 PolarHBondContact O-N 2.95Å; L66-I124 HydrophobicContact CD1-CB 3.79Å; L66-I124 HydrophobicContact CD1-CG1 4.39Å; L66-I124 HydrophobicContact CD1-CG2 4.38Å; L66-V189 HydrophobicContact CD1-CG1 4.27Å; L66-V189 HydrophobicContact CD2-CG1 3.65Å; L66-D193 WeakPolarHBondContact CA-OD1 3.14Å; L66-D193 HydrophobicContact CD2-CB 4.13Å
67	S	97.7	Very high	97.4	Very high	65 Å²	65	47.5 Å²	47.5	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-28.5	-173.9	61.5	0	0	0	0	115.2	A70 K71 D193	S67-A70 PolarHBondContact O-N 3.44Å; S67-K71 PolarHBondContact O-N 2.86Å; S67-D193 PolarHBondContact N-OD1 3.03Å
68	G	98.7	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-45.3	174.5	0	0	0	0	0	111.1	L66 A70 K71 F72 D193 F196	L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 2.72Å; G68-A70 VanDerWaalsContact C-N 3.27Å; G68-A70 PolarHBondContact O-N 3.12Å; G68-K71 WeakPolarHBondContact O-CB 3.42Å; G68-K71 PolarHBondContact O-N 3.08Å; G68-K71 VanDerWaalsContact O-N 3.1Å; G68-F72 PolarHBondContact O-N 3.05Å; G68-D193 WeakPolarHBondContact CA-O 3.48Å; G68-D193 WeakPolarHBondContact CA-OD1 3.41Å; G68-D193 PolarHBondContact N-OD1 3.45Å; G68-F196 WeakPolarHBondContact O-CB 3.37Å
69	F	98.7	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-38.8	171	-76.9	-80.5	0	0	0	112.4	L59 L66 K71 F72 F73 I124 I128 L182 M192 D193 F196	L59-F69 HydrophobicContact CD1-CB 3.87Å; L59-F69 HydrophobicContact CD2-CB 4.04Å; L59-F69 HydrophobicContact CG-CB 4.44Å; L66-F69 HydrophobicContact CB-CB 4.27Å; L66-F69 HydrophobicContact CB-CD2 4.12Å; L66-F69 HydrophobicContact CD1-CD2 4.41Å; L66-F69 HydrophobicContact CD2-CD2 4.29Å; L66-F69 PolarHBondContact O-N 3.14Å; F69-K71 VanDerWaalsContact C-N 3.27Å; F69-K71 PolarHBondContact O-N 3.46Å; F69-F72 PolarHBondContact O-N 3.48Å; F69-F73 WeakPolarHBondContact O-CD2 3.25Å; F69-F73 PolarHBondContact O-N 3.09Å; F69-I124 HydrophobicContact CB-CD1 4.18Å; F69-I124 HydrophobicContact CD1-CD1 3.44Å; F69-I124 VanDerWaalsContact CD1-CD1 3.44Å; F69-I124 HydrophobicContact CD1-CG1 4.11Å; F69-I124 HydrophobicContact CD2-CD1 4.13Å; F69-I124 HydrophobicContact CD2-CG1 4.35Å; F69-I124 HydrophobicContact CE1-CD1 3.64Å; F69-I124 HydrophobicContact CE1-CG1 3.8Å; F69-I124 HydrophobicContact CE2-CD1 4.33Å; F69-I124 HydrophobicContact CE2-CG1 4.1Å; F69-I124 HydrophobicContact CG-CD1 3.67Å; F69-I124 HydrophobicContact CG-CG1 4.34Å; F69-I124 HydrophobicContact CZ-CD1 4.09Å; F69-I124 HydrophobicContact CZ-CG1 3.81Å; F69-I128 HydrophobicContact CE1-CD1 4.49Å; F69-L182 HydrophobicContact CZ-CD2 4.15Å; F69-M192 HydrophobicContact CE1-CE 3.51Å; F69-M192 HydrophobicContact CE1-CG 4.5Å; F69-M192 HydrophobicContact CE2-CB 4.41Å; F69-M192 HydrophobicContact CZ-CB 3.99Å; F69-M192 HydrophobicContact CZ-CE 3.34Å; F69-M192 HydrophobicContact CZ-CG 4.02Å; F69-D193 HydrophobicContact CD2-CB 3.76Å; F69-D193 HydrophobicContact CE2-CB 3.83Å; F69-D193 PolarHBondContact N-OD1 3.37Å; F69-F196 AromaticContact CD1-CD2 3.93Å; F69-F196 HydrophobicContact CD1-CD2 3.93Å; F69-F196 AromaticContact CD1-CE2 3.72Å; F69-F196 HydrophobicContact CD1-CE2 3.72Å; F69-F196 HydrophobicContact CE1-CD2 4.11Å; F69-F196 AromaticContact CE1-CE2 3.55Å; F69-F196 HydrophobicContact CE1-CE2 3.55Å; F69-F196 HydrophobicContact CG-CD2 4.19Å; F69-F196 HydrophobicContact CG-CE2 4.41Å; F69-F196 HydrophobicContact CZ-CD2 4.47Å; F69-F196 HydrophobicContact CZ-CE2 4.08Å
70	A	98.6	Very high	97.9	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-36.7	175.1	0	0	0	0	0	112.1	V56 L59 S60 L66 S67 G68 R74	V56-A70 HydrophobicContact CG1-CB 4.49Å; L59-A70 HydrophobicContact CB-CB 3.77Å; S60-A70 WeakPolarHBondContact OG-CB 3.45Å; L66-A70 PolarHBondContact O-N 2.95Å; S67-A70 PolarHBondContact O-N 3.44Å; G68-A70 VanDerWaalsContact C-N 3.27Å; G68-A70 PolarHBondContact O-N 3.12Å; A70-R74 VanDerWaalsContact O-CB 3.31Å; A70-R74 WeakPolarHBondContact O-CB 3.48Å; A70-R74 PolarHBondContact O-N 2.94Å; A70-R74 VanDerWaalsContact O-N 3.1Å
71	K	98.7	Very high	98	Very high	85 Å²	85	50.8 Å²	50.8	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-48.6	173.4	176.4	176.6	161.3	-139.1	0	111.3	S67 G68 F69 F73 R74 E75 F196 R197	S67-K71 PolarHBondContact O-N 2.86Å; G68-K71 WeakPolarHBondContact O-CB 3.42Å; G68-K71 PolarHBondContact O-N 3.08Å; G68-K71 VanDerWaalsContact O-N 3.1Å; F69-K71 VanDerWaalsContact C-N 3.27Å; F69-K71 PolarHBondContact O-N 3.46Å; K71-F73 PolarHBondContact O-N 3.22Å; K71-R74 PolarHBondContact O-N 3.13Å; K71-R74 VanDerWaalsContact O-N 3.17Å; K71-E75 WeakPolarHBondContact CE-OE1 3.49Å; K71-E75 PolarHBondContact O-N 3.36Å; K71-F196 WeakPolarHBondContact CD-O 3.19Å; K71-F196 PolarHBondContact NZ-O 3.04Å; K71-R197 PolarHBondContact NZ-O 3.45Å
72	F	98.8	Very high	98.1	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-54.1	-52.9	176.6	171.4	-99.7	0	0	0	112	G68 F69 R74 E75 S76 K174 L175 M178 F196	G68-F72 PolarHBondContact O-N 3.05Å; F69-F72 PolarHBondContact O-N 3.48Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.85Å; F72-E75 WeakPolarHBondContact O-CB 3.41Å; F72-E75 PolarHBondContact O-N 3.03Å; F72-E75 VanDerWaalsContact O-N 3.15Å; F72-S76 PolarHBondContact O-N 3.42Å; F72-S76 PolarHBondContact O-OG 2.91Å; F72-K174 HydrophobicContact CE2-CD 4.45Å; F72-L175 HydrophobicContact CE1-CD2 4.3Å; F72-L175 HydrophobicContact CZ-CD2 4.49Å; F72-M178 HydrophobicContact CD1-CE 4.27Å; F72-M178 HydrophobicContact CD2-CE 4.02Å; F72-M178 HydrophobicContact CE1-CE 3.73Å; F72-M178 HydrophobicContact CE1-SD 3.99Å; F72-M178 HydrophobicContact CE2-CE 3.46Å; F72-M178 VanDerWaalsContact CE2-CE 3.46Å; F72-M178 HydrophobicContact CG-CE 4.41Å; F72-M178 HydrophobicContact CZ-CE 3.29Å; F72-M178 HydrophobicContact CZ-SD 4.1Å; F72-F196 HydrophobicContact CB-CB 4.34Å; F72-F196 HydrophobicContact CB-CD1 4.01Å; F72-F196 HydrophobicContact CB-CD2 4.22Å; F72-F196 HydrophobicContact CB-CE1 4.4Å; F72-F196 HydrophobicContact CB-CG 3.95Å; F72-F196 HydrophobicContact CD2-CD1 4.14Å; F72-F196 AromaticContact CD2-CE1 3.9Å; F72-F196 HydrophobicContact CD2-CE1 3.9Å; F72-F196 HydrophobicContact CD2-CZ 4.39Å; F72-F196 HydrophobicContact CG-CD1 4.27Å; F72-F196 HydrophobicContact CG-CE1 4.18Å; F72-F196 HydrophobicContact CG-CZ 4.35Å
73	F	98.6	Very high	98.2	Very high	1 Å²	1	45 Å²	45	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-22.2	-179.2	-83.8	-72.2	0	0	0	113.8	Y52 M55 V56 L59 F69 K71 A77 V127 I128 A131	Y52-F73 HydrophobicContact CD1-CD1 4.01Å; Y52-F73 HydrophobicContact CD1-CE1 4.17Å; Y52-F73 HydrophobicContact CE1-CD1 4.33Å; Y52-F73 HydrophobicContact CE1-CE1 4.07Å; Y52-F73 HydrophobicContact CG-CD1 4.2Å; M55-F73 HydrophobicContact CB-CG 4.45Å; M55-F73 HydrophobicContact SD-CD1 3.82Å; M55-F73 HydrophobicContact SD-CE1 3.63Å; M55-F73 HydrophobicContact SD-CG 4.47Å; M55-F73 HydrophobicContact SD-CZ 4.12Å; V56-F73 HydrophobicContact CG2-CB 3.64Å; L59-F73 HydrophobicContact CD1-CB 4.46Å; L59-F73 HydrophobicContact CD1-CD2 3.58Å; L59-F73 HydrophobicContact CD1-CE2 4.26Å; L59-F73 HydrophobicContact CD1-CG 4.34Å; F69-F73 WeakPolarHBondContact O-CD2 3.25Å; F69-F73 PolarHBondContact O-N 3.09Å; K71-F73 PolarHBondContact O-N 3.22Å; F73-A77 VanDerWaalsContact O-CB 3.32Å; F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.21Å; F73-V127 HydrophobicContact CD2-CG1 4.19Å; F73-V127 HydrophobicContact CE2-CG1 3.58Å; F73-V127 HydrophobicContact CZ-CG1 3.79Å; F73-I128 HydrophobicContact CE2-CD1 4.02Å; F73-I128 HydrophobicContact CZ-CD1 3.92Å; F73-A131 HydrophobicContact CE1-CB 3.72Å; F73-A131 HydrophobicContact CZ-CB 3.95Å
74	R	98.8	Very high	98.3	Very high	117 Å²	117	38.3 Å²	38.3	44%	0.442	20%	0.201	S	C	.	.	H	α-helix	trans	-71.8	-38.8	171.9	-177.2	173.1	-69.1	132	0.8	111.3	V56 A70 K71 F72 N78	V56-R74 HydrophobicContact CG1-CB 4.3Å; V56-R74 HydrophobicContact CG2-CB 3.89Å; A70-R74 VanDerWaalsContact O-CB 3.31Å; A70-R74 WeakPolarHBondContact O-CB 3.48Å; A70-R74 PolarHBondContact O-N 2.94Å; A70-R74 VanDerWaalsContact O-N 3.1Å; K71-R74 PolarHBondContact O-N 3.13Å; K71-R74 VanDerWaalsContact O-N 3.17Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.85Å; R74-N78 VanDerWaalsContact O-CG 3.28Å; R74-N78 PolarHBondContact O-N 3.02Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3.34Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å
75	E	98.8	Very high	98.5	Very high	108 Å²	108	41.8 Å²	41.8	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-46.7	172.8	-68.5	167.4	-175.2	0	0	110.2	K71 F72 A77 N78 E79	K71-E75 WeakPolarHBondContact CE-OE1 3.49Å; K71-E75 PolarHBondContact O-N 3.36Å; F72-E75 WeakPolarHBondContact O-CB 3.41Å; F72-E75 PolarHBondContact O-N 3.03Å; F72-E75 VanDerWaalsContact O-N 3.15Å; E75-A77 PolarHBondContact O-N 3.08Å; E75-N78 PolarHBondContact O-N 3.44Å; E75-E79 PolarHBondContact O-N 3.27Å
76	S	98.7	Very high	98.6	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-42.7	174.7	-58.6	0	0	0	0	113	F72 N78 E79 E80	F72-S76 PolarHBondContact O-N 3.42Å; F72-S76 PolarHBondContact O-OG 2.91Å; S76-N78 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact O-CB 3.32Å; S76-E79 PolarHBondContact O-N 3.42Å; S76-E79 VanDerWaalsContact O-N 3.12Å; S76-E80 WeakPolarHBondContact O-CG 3.37Å; S76-E80 PolarHBondContact O-N 3.49Å
77	A	98.6	Very high	98.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-45.7	175.5	0	0	0	0	0	111.3	F49 F73 E75 E79 E80 L81	F49-A77 HydrophobicContact CD2-CB 3.97Å; F49-A77 VanDerWaalsContact CD2-O 3.28Å; F49-A77 WeakPolarHBondContact CD2-O 3.49Å; F49-A77 HydrophobicContact CE2-CB 4.36Å; F73-A77 VanDerWaalsContact O-CB 3.32Å; F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.21Å; E75-A77 PolarHBondContact O-N 3.08Å; A77-E79 VanDerWaalsContact C-N 3.28Å; A77-E79 PolarHBondContact O-N 3.01Å; A77-E80 PolarHBondContact O-N 3.25Å; A77-L81 PolarHBondContact O-N 2.95Å
78	N	98.8	Very high	98.7	Very high	85 Å²	85	40.3 Å²	40.3	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-36.1	177.8	-68.3	-33.5	0	0	0	112.2	R74 E75 S76 L81 E82	R74-N78 VanDerWaalsContact O-CG 3.28Å; R74-N78 PolarHBondContact O-N 3.02Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3.34Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å; E75-N78 PolarHBondContact O-N 3.44Å; S76-N78 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.27Å; N78-L81 WeakPolarHBondContact O-CB 3.46Å; N78-L81 PolarHBondContact O-N 3.45Å; N78-E82 WeakPolarHBondContact O-CG 3Å; N78-E82 PolarHBondContact O-N 3.3Å
79	E	98.8	Very high	98.7	Very high	87 Å²	87	45.4 Å²	45.4	41%	0.407	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-46.8	174.8	-169.7	170.4	179.3	0	0	111.5	E75 S76 A77 L81 E82 H83	E75-E79 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact O-CB 3.32Å; S76-E79 PolarHBondContact O-N 3.42Å; S76-E79 VanDerWaalsContact O-N 3.12Å; A77-E79 VanDerWaalsContact C-N 3.28Å; A77-E79 PolarHBondContact O-N 3.01Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.46Å; E79-E82 CarbonylContact O-C 3.55Å; E79-E82 WeakPolarHBondContact O-CA 3.29Å; E79-E82 WeakPolarHBondContact O-CB 3.13Å; E79-E82 PolarHBondContact O-N 2.95Å; E79-H83 PolarHBondContact O-CD2 2.94Å; E79-H83 PolarHBondContact O-N 2.87Å
80	E	98.6	Very high	98.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-33.9	176.2	-52.9	-45	153.8	0	0	113.3	A48 F49 Y52 S76 A77 E82 H83 A84	A48-E80 HydrophobicContact CB-CB 4.08Å; A48-E80 HydrophobicContact CB-CG 3.78Å; F49-E80 HydrophobicContact CB-CB 4.16Å; Y52-E80 HydrophobicContact CD2-CG 3.82Å; Y52-E80 HydrophobicContact CE2-CG 3.85Å; S76-E80 WeakPolarHBondContact O-CG 3.37Å; S76-E80 PolarHBondContact O-N 3.49Å; A77-E80 PolarHBondContact O-N 3.25Å; E80-E82 VanDerWaalsContact C-N 3.31Å; E80-E82 PolarHBondContact O-N 2.68Å; E80-H83 WeakPolarHBondContact O-CB 3.37Å; E80-H83 PolarHBondContact O-N 3.27Å; E80-H83 IonicContact OE2-CE1 2.68Å; E80-H83 IonicContact OE2-CG 3.19Å; E80-H83 IonicContact OE2-ND1 3.58Å; E80-H83 PolarHBondContact OE2-ND1 3.3Å; E80-A84 PolarHBondContact O-N 3.04Å
81	L	98.6	Very high	98.7	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-38.1	173.1	-179.2	59.3	0	0	0	111.6	Y46 F49 A77 N78 E79 R85	Y46-L81 HydrophobicContact CD1-CD1 4.1Å; Y46-L81 HydrophobicContact CE1-CD1 3.57Å; F49-L81 HydrophobicContact CD2-CB 3.93Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CE2-CD2 4.21Å; F49-L81 HydrophobicContact CG-CB 4.25Å; F49-L81 HydrophobicContact CZ-CD2 4.49Å; A77-L81 PolarHBondContact O-N 2.95Å; N78-L81 WeakPolarHBondContact O-CB 3.46Å; N78-L81 PolarHBondContact O-N 3.45Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.46Å; L81-R85 WeakPolarHBondContact O-CD 3.23Å; L81-R85 VanDerWaalsContact O-CG 3.3Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.98Å
82	E	98.8	Very high	98.7	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-67.7	-37	172.3	-67.8	-53.7	125.9	0	0	111.7	N78 E79 E80 R85 K86	N78-E82 WeakPolarHBondContact O-CG 3Å; N78-E82 PolarHBondContact O-N 3.3Å; E79-E82 CarbonylContact O-C 3.55Å; E79-E82 WeakPolarHBondContact O-CA 3.29Å; E79-E82 WeakPolarHBondContact O-CB 3.13Å; E79-E82 PolarHBondContact O-N 2.95Å; E80-E82 VanDerWaalsContact C-N 3.31Å; E80-E82 PolarHBondContact O-N 2.68Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 2.96Å; E82-R85 IonicContact OE1-CZ 3.4Å; E82-R85 IonicContact OE1-NH1 4Å; E82-R85 PolarHBondContact OE1-NH1 2.68Å; E82-K86 WeakPolarHBondContact O-CG 3.41Å; E82-K86 PolarHBondContact O-N 2.65Å
83	H	98.7	Very high	98.6	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-51.7	172.5	-62	162.5	0	0	0	111.4	E45 E79 E80 R85 K86 F87 F164 E167	E45-H83 HydrophobicContact CB-CB 4.38Å; E45-H83 HydrophobicContact CG-CB 3.9Å; E79-H83 PolarHBondContact O-CD2 2.94Å; E79-H83 PolarHBondContact O-N 2.87Å; E80-H83 WeakPolarHBondContact O-CB 3.37Å; E80-H83 PolarHBondContact O-N 3.27Å; E80-H83 IonicContact OE2-CE1 2.68Å; E80-H83 IonicContact OE2-CG 3.19Å; E80-H83 IonicContact OE2-ND1 3.58Å; E80-H83 PolarHBondContact OE2-ND1 3.3Å; H83-R85 PolarHBondContact O-N 3.49Å; H83-R85 VanDerWaalsContact O-N 3.11Å; H83-K86 PolarHBondContact O-N 3.04Å; H83-F87 WeakPolarHBondContact O-CD2 3.29Å; H83-F87 PolarHBondContact O-N 2.91Å; H83-F164 HydrophobicContact CB-CE1 4.14Å; H83-F164 AromaticContact CD2-CE1 3.83Å; H83-E167 IonicContact CE1-OE2 3.7Å; H83-E167 IonicContact NE2-OE2 3.79Å; H83-E167 PolarHBondContact NE2-OE2 3.45Å
84	A	98.8	Very high	98.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.2	-38.3	177.2	0	0	0	0	0	112.4	E45 Y46 E80 S88	E45-A84 HydrophobicContact CB-CB 3.65Å; Y46-A84 HydrophobicContact CD1-CB 3.93Å; Y46-A84 HydrophobicContact CD2-CB 3.93Å; Y46-A84 HydrophobicContact CE1-CB 3.79Å; Y46-A84 HydrophobicContact CE2-CB 3.76Å; Y46-A84 HydrophobicContact CG-CB 3.99Å; E80-A84 PolarHBondContact O-N 3.04Å; A84-S88 WeakPolarHBondContact O-CB 3.48Å; A84-S88 PolarHBondContact O-N 3.01Å; A84-S88 PolarHBondContact O-OG 3.46Å
85	R	98.8	Very high	98.2	Very high	107 Å²	107	54.5 Å²	54.5	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-70.3	-47.3	176.4	-71.5	168	176.2	159.2	2.9	112.3	L81 E82 H83 F87 S88 E89	L81-R85 WeakPolarHBondContact O-CD 3.23Å; L81-R85 VanDerWaalsContact O-CG 3.3Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.98Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 2.96Å; E82-R85 IonicContact OE1-CZ 3.4Å; E82-R85 IonicContact OE1-NH1 4Å; E82-R85 PolarHBondContact OE1-NH1 2.68Å; H83-R85 PolarHBondContact O-N 3.49Å; H83-R85 VanDerWaalsContact O-N 3.11Å; R85-F87 VanDerWaalsContact C-N 3.32Å; R85-F87 PolarHBondContact O-N 3.5Å; R85-S88 WeakPolarHBondContact O-CB 3.49Å; R85-S88 PolarHBondContact O-N 2.89Å; R85-S88 VanDerWaalsContact O-N 3.12Å; R85-E89 WeakPolarHBondContact O-CG 3.28Å; R85-E89 PolarHBondContact O-N 3.34Å
86	K	98.8	Very high	98	Very high	87 Å²	87	50 Å²	50	38%	0.378	24%	0.239	S	C	.	.	H	α-helix	trans	-56	-46	176	-73.2	174.2	-178	174.7	0	111.4	E82 H83 E89 F90 F164	E82-K86 WeakPolarHBondContact O-CG 3.41Å; E82-K86 PolarHBondContact O-N 2.65Å; H83-K86 PolarHBondContact O-N 3.04Å; K86-E89 PolarHBondContact O-N 3.33Å; K86-F90 WeakPolarHBondContact O-CB 3.29Å; K86-F90 PolarHBondContact O-N 3.29Å; K86-F164 HydrophobicContact CB-CZ 3.95Å; K86-F164 HydrophobicContact CD-CE1 4.2Å; K86-F164 HydrophobicContact CD-CZ 3.84Å
87	F	98.9	Very high	97.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-45.5	174.7	-85.2	-87.7	0	0	0	112.2	L38 Q41 I42 E45 H83 R85 E89 F90 V91 F160 L161 F164	L38-F87 HydrophobicContact CD2-CD1 3.68Å; L38-F87 HydrophobicContact CD2-CE1 3.9Å; Q41-F87 HydrophobicContact CB-CD1 4.19Å; Q41-F87 HydrophobicContact CB-CE1 4.03Å; Q41-F87 HydrophobicContact CG-CD1 3.96Å; Q41-F87 HydrophobicContact CG-CD2 4.36Å; Q41-F87 HydrophobicContact CG-CE1 3.48Å; Q41-F87 VanDerWaalsContact CG-CE1 3.48Å; Q41-F87 HydrophobicContact CG-CE2 3.94Å; Q41-F87 HydrophobicContact CG-CG 4.4Å; Q41-F87 HydrophobicContact CG-CZ 3.5Å; I42-F87 HydrophobicContact CD1-CB 4.31Å; I42-F87 HydrophobicContact CG1-CB 3.52Å; E45-F87 HydrophobicContact CG-CD2 4.19Å; E45-F87 HydrophobicContact CG-CE2 4.41Å; H83-F87 WeakPolarHBondContact O-CD2 3.29Å; H83-F87 PolarHBondContact O-N 2.91Å; R85-F87 VanDerWaalsContact C-N 3.32Å; R85-F87 PolarHBondContact O-N 3.5Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.06Å; F87-F90 WeakPolarHBondContact O-CB 3.37Å; F87-F90 PolarHBondContact O-N 3.07Å; F87-V91 WeakPolarHBondContact O-CG2 3.45Å; F87-V91 PolarHBondContact O-N 3.12Å; F87-F160 AromaticContact CD1-CE1 3.7Å; F87-F160 HydrophobicContact CD1-CE1 3.7Å; F87-F160 HydrophobicContact CD1-CZ 4.26Å; F87-F160 AromaticContact CE1-CE1 3.7Å; F87-F160 HydrophobicContact CE1-CE1 3.7Å; F87-F160 HydrophobicContact CE1-CZ 4.5Å; F87-F160 HydrophobicContact CG-CE1 4.17Å; F87-F160 HydrophobicContact CG-CZ 4.28Å; F87-F160 HydrophobicContact CZ-CE1 4.17Å; F87-L161 HydrophobicContact CE1-CD2 3.53Å; F87-L161 HydrophobicContact CZ-CD2 3.74Å; F87-F164 HydrophobicContact CD2-CE1 4.05Å; F87-F164 HydrophobicContact CD2-CZ 4.05Å; F87-F164 AromaticContact CE2-CD1 3.73Å; F87-F164 HydrophobicContact CE2-CD1 3.73Å; F87-F164 HydrophobicContact CE2-CD2 4.29Å; F87-F164 AromaticContact CE2-CE1 3.51Å; F87-F164 HydrophobicContact CE2-CE1 3.51Å; F87-F164 HydrophobicContact CE2-CE2 4.13Å; F87-F164 HydrophobicContact CE2-CG 4.1Å; F87-F164 AromaticContact CE2-CZ 3.72Å; F87-F164 HydrophobicContact CE2-CZ 3.72Å; F87-F164 HydrophobicContact CZ-CD1 4.3Å; F87-F164 HydrophobicContact CZ-CD2 4.25Å; F87-F164 HydrophobicContact CZ-CE1 4.37Å; F87-F164 HydrophobicContact CZ-CE2 4.34Å; F87-F164 HydrophobicContact CZ-CG 4.23Å; F87-F164 HydrophobicContact CZ-CZ 4.38Å
88	S	98.8	Very high	97.9	Very high	15 Å²	15	58.6 Å²	58.6	11%	0.105	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-42.9	177.5	-62.6	0	0	0	0	112.3	A84 R85 N92 V98	A84-S88 WeakPolarHBondContact O-CB 3.48Å; A84-S88 PolarHBondContact O-N 3.01Å; A84-S88 PolarHBondContact O-OG 3.46Å; R85-S88 WeakPolarHBondContact O-CB 3.49Å; R85-S88 PolarHBondContact O-N 2.89Å; R85-S88 VanDerWaalsContact O-N 3.12Å; S88-N92 PolarHBondContact O-N 2.9Å; S88-N92 VanDerWaalsContact O-N 3.16Å; S88-N92 PolarHBondContact O-ND2 3.47Å; S88-V98 WeakPolarHBondContact O-CG2 3.44Å
89	E	98.7	Very high	97.7	Very high	107 Å²	107	58.4 Å²	58.4	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-41.7	175.5	-73.9	-176.4	-166.6	0	0	111.9	R85 K86 F87 N92 K93	R85-E89 WeakPolarHBondContact O-CG 3.28Å; R85-E89 PolarHBondContact O-N 3.34Å; K86-E89 PolarHBondContact O-N 3.33Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.06Å; E89-N92 PolarHBondContact O-N 3.32Å; E89-K93 WeakPolarHBondContact O-CB 3.36Å; E89-K93 VanDerWaalsContact O-CG 3.26Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.91Å; E89-K93 IonicContact OE2-NZ 2.56Å
90	F	98.7	Very high	97.5	Very high	24 Å²	24	59.9 Å²	59.9	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-49.9	177.8	-176	-101.5	0	0	0	111.5	L38 K86 F87 N92 K93 R94 T156 T157 F160	L38-F90 HydrophobicContact CD1-CD1 4.1Å; L38-F90 HydrophobicContact CD1-CE1 4.11Å; L38-F90 HydrophobicContact CD2-CD1 4.19Å; L38-F90 HydrophobicContact CD2-CE1 4.49Å; K86-F90 WeakPolarHBondContact O-CB 3.29Å; K86-F90 PolarHBondContact O-N 3.29Å; F87-F90 WeakPolarHBondContact O-CB 3.37Å; F87-F90 PolarHBondContact O-N 3.07Å; F90-N92 PolarHBondContact O-N 3.04Å; F90-K93 PolarHBondContact O-N 3.21Å; F90-R94 HydrophobicContact CD1-CG 4.31Å; F90-R94 HydrophobicContact CE1-CG 4.03Å; F90-R94 HydrophobicContact CE2-CG 4.3Å; F90-R94 HydrophobicContact CZ-CG 4.04Å; F90-R94 VanDerWaalsContact CZ-NH1 3.26Å; F90-R94 VanDerWaalsContact O-CG 3.26Å; F90-R94 WeakPolarHBondContact O-CG 3.44Å; F90-R94 PolarHBondContact O-N 3.4Å; F90-T156 HydrophobicContact CE2-CG2 4.33Å; F90-T156 HydrophobicContact CZ-CG2 4.29Å; F90-T157 HydrophobicContact CE1-CG2 4.22Å; F90-T157 WeakPolarHBondContact CE1-OG1 3.4Å; F90-F160 HydrophobicContact CB-CD1 4.39Å; F90-F160 HydrophobicContact CB-CD2 4.22Å; F90-F160 HydrophobicContact CB-CE1 3.96Å; F90-F160 HydrophobicContact CB-CE2 3.75Å; F90-F160 HydrophobicContact CB-CZ 3.61Å; F90-F160 AromaticContact CD1-CD1 3.69Å; F90-F160 HydrophobicContact CD1-CD1 3.69Å; F90-F160 AromaticContact CD1-CE1 3.89Å; F90-F160 HydrophobicContact CD1-CE1 3.89Å; F90-F160 HydrophobicContact CD1-CG 4.04Å; F90-F160 HydrophobicContact CD1-CZ 4.4Å; F90-F160 HydrophobicContact CD2-CB 3.99Å; F90-F160 HydrophobicContact CD2-CD1 4.03Å; F90-F160 AromaticContact CD2-CD2 3.44Å; F90-F160 HydrophobicContact CD2-CD2 3.44Å; F90-F160 VanDerWaalsContact CD2-CD2 3.44Å; F90-F160 HydrophobicContact CD2-CE1 4.41Å; F90-F160 AromaticContact CD2-CE2 3.87Å; F90-F160 HydrophobicContact CD2-CE2 3.87Å; F90-F160 AromaticContact CD2-CG 3.53Å; F90-F160 HydrophobicContact CD2-CG 3.53Å; F90-F160 HydrophobicContact CD2-CZ 4.34Å; F90-F160 HydrophobicContact CE1-CB 4.21Å; F90-F160 AromaticContact CE1-CD1 3.85Å; F90-F160 HydrophobicContact CE1-CD1 3.85Å; F90-F160 HydrophobicContact CE1-CE1 4.49Å; F90-F160 HydrophobicContact CE1-CG 4.06Å; F90-F160 HydrophobicContact CE2-CB 3.47Å; F90-F160 VanDerWaalsContact CE2-CB 3.47Å; F90-F160 HydrophobicContact CE2-CD1 4.19Å; F90-F160 AromaticContact CE2-CD2 3.84Å; F90-F160 HydrophobicContact CE2-CD2 3.84Å; F90-F160 AromaticContact CE2-CG 3.55Å; F90-F160 HydrophobicContact CE2-CG 3.55Å; F90-F160 AromaticContact CG-CD1 3.77Å; F90-F160 HydrophobicContact CG-CD1 3.77Å; F90-F160 AromaticContact CG-CD2 3.82Å; F90-F160 HydrophobicContact CG-CD2 3.82Å; F90-F160 AromaticContact CG-CE1 3.83Å; F90-F160 HydrophobicContact CG-CE1 3.83Å; F90-F160 AromaticContact CG-CE2 3.87Å; F90-F160 HydrophobicContact CG-CE2 3.87Å; F90-F160 AromaticContact CG-CG 3.77Å; F90-F160 HydrophobicContact CG-CG 3.77Å; F90-F160 AromaticContact CG-CZ 3.88Å; F90-F160 HydrophobicContact CG-CZ 3.88Å; F90-F160 HydrophobicContact CZ-CB 3.57Å; F90-F160 HydrophobicContact CZ-CD1 4.08Å; F90-F160 AromaticContact CZ-CG 3.81Å; F90-F160 HydrophobicContact CZ-CG 3.81Å
91	V	98.7	Very high	97.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.3	-50.4	176.2	170.6	0	0	0	0	111.2	L30 L38 I42 F87 K93 R94 S96 V98	L30-V91 HydrophobicContact CD1-CG2 4.48Å; L38-V91 HydrophobicContact CB-CG2 3.55Å; L38-V91 HydrophobicContact CD1-CG2 3.95Å; L38-V91 HydrophobicContact CG-CG2 4.25Å; I42-V91 HydrophobicContact CD1-CG2 4.12Å; F87-V91 WeakPolarHBondContact O-CG2 3.45Å; F87-V91 PolarHBondContact O-N 3.12Å; V91-K93 PolarHBondContact O-N 2.94Å; V91-R94 PolarHBondContact O-N 3.02Å; V91-R94 VanDerWaalsContact O-N 3.16Å; V91-S96 WeakPolarHBondContact O-CB 3.38Å; V91-S96 PolarHBondContact O-N 3.05Å; V91-V98 HydrophobicContact CB-CG2 3.92Å; V91-V98 HydrophobicContact CG1-CG2 3.85Å
92	N	98	Very high	96.6	Very high	92 Å²	92	68.1 Å²	68.1	49%	0.492	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-38.3	-179.4	-69.7	-43.9	0	0	0	112.5	S88 E89 F90 R94 N95 S96	S88-N92 PolarHBondContact O-N 2.9Å; S88-N92 VanDerWaalsContact O-N 3.16Å; S88-N92 PolarHBondContact O-ND2 3.47Å; E89-N92 PolarHBondContact O-N 3.32Å; F90-N92 PolarHBondContact O-N 3.04Å; N92-R94 PolarHBondContact O-N 3.28Å; N92-N95 PolarHBondContact O-N 3.32Å; N92-S96 PolarHBondContact OD1-O 2.89Å
93	K	97.7	Very high	95.7	Very high	153 Å²	153	66.3 Å²	66.3	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-27	176.2	-78	171.9	-176.2	164	0	112.5	E89 F90 V91 N95	E89-K93 WeakPolarHBondContact O-CB 3.36Å; E89-K93 VanDerWaalsContact O-CG 3.26Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.91Å; E89-K93 IonicContact OE2-NZ 2.56Å; F90-K93 PolarHBondContact O-N 3.21Å; V91-K93 PolarHBondContact O-N 2.94Å; K93-N95 PolarHBondContact O-N 3.09Å
94	R	96.5	Very high	94.1	Very high	15 Å²	15	69.1 Å²	69.1	6%	0.057	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	25	175.9	-59.5	-71.1	-62.8	-87.2	1.8	112.9	I28 A29 L30 F90 V91 N92 S96 D154 T156 T157	I28-R94 PolarHBondContact O-NE 3.42Å; A29-R94 WeakPolarHBondContact CA-O 3.4Å; L30-R94 HydrophobicContact CD1-CB 3.93Å; L30-R94 HydrophobicContact CD2-CB 4.09Å; L30-R94 HydrophobicContact CD2-CG 4.21Å; L30-R94 HydrophobicContact CG-CB 3.64Å; L30-R94 HydrophobicContact CG-CG 4.29Å; F90-R94 HydrophobicContact CD1-CG 4.31Å; F90-R94 HydrophobicContact CE1-CG 4.03Å; F90-R94 HydrophobicContact CE2-CG 4.3Å; F90-R94 HydrophobicContact CZ-CG 4.04Å; F90-R94 VanDerWaalsContact CZ-NH1 3.26Å; F90-R94 VanDerWaalsContact O-CG 3.26Å; F90-R94 WeakPolarHBondContact O-CG 3.44Å; F90-R94 PolarHBondContact O-N 3.4Å; V91-R94 PolarHBondContact O-N 3.02Å; V91-R94 VanDerWaalsContact O-N 3.16Å; N92-R94 PolarHBondContact O-N 3.28Å; R94-S96 PolarHBondContact O-N 3.31Å; R94-D154 IonicContact CZ-OD1 3.88Å; R94-D154 IonicContact CZ-OD2 2.88Å; R94-D154 IonicContact NH1-OD1 3.95Å; R94-D154 PolarHBondContact NH1-OD1 2.88Å; R94-D154 IonicContact NH1-OD2 3.42Å; R94-D154 VanDerWaalsContact NH2-CG 3.3Å; R94-D154 IonicContact NH2-OD1 3.62Å; R94-D154 PolarHBondContact NH2-OD1 2.86Å; R94-D154 IonicContact NH2-OD2 3.63Å; R94-D154 PolarHBondContact NH2-OD2 3.46Å; R94-T156 VanDerWaalsContact NH1-CB 3.33Å; R94-T157 PolarHBondContact NH1-OG1 2.52Å
95	N	91.1	Very high	92	Very high	125 Å²	125	75 Å²	75	67%	0.668	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	31.7	177.7	-165.6	34	0	0	0	114.1	N92 K93	N92-N95 PolarHBondContact O-N 3.32Å; K93-N95 PolarHBondContact O-N 3.09Å
96	S	95.6	Very high	89.5	Confident	12 Å²	12	79.2 Å²	79.2	8%	0.084	39%	0.385	C	S	.	.			trans	-120.6	175	-177.4	171.2	0	0	0	0	110.3	E35 V91 N92 R94	E35-S96 WeakPolarHBondContact CG-OG 3.49Å; E35-S96 WeakPolarHBondContact OE2-CB 3.43Å; E35-S96 PolarHBondContact OE2-OG 3.24Å; V91-S96 WeakPolarHBondContact O-CB 3.38Å; V91-S96 PolarHBondContact O-N 3.05Å; N92-S96 PolarHBondContact OD1-O 2.89Å; R94-S96 PolarHBondContact O-N 3.31Å
97	K	95.7	Very high	87.1	Confident	158 Å²	158	80.4 Å²	80.4	69%	0.687	40%	0.396	S	S	*	.			trans	-114.2	130.1	-172	-65.2	179	-174.4	171.2	0	111.8	N39	N39-K97 PolarHBondContact ND2-O 3.25Å; N39-K97 VanDerWaalsContact ND2-O 3.09Å
98	V	98.3	Very high	84.8	Confident	40 Å²	40	84.1 Å²	84.1	24%	0.242	41%	0.41	C	S	.	.			trans	-75.8	130.1	167	177.1	0	0	0	0	110	N39 I42 S88 V91 L100	N39-V98 WeakPolarHBondContact OD1-CA 2.93Å; I42-V98 HydrophobicContact CD1-CG1 4.03Å; I42-V98 HydrophobicContact CD1-CG2 4.05Å; S88-V98 WeakPolarHBondContact O-CG2 3.44Å; V91-V98 HydrophobicContact CB-CG2 3.92Å; V91-V98 HydrophobicContact CG1-CG2 3.85Å; V98-L100 HydrophobicContact CG1-CD2 3.81Å; V98-L100 HydrophobicContact CG1-CG 4.22Å
99	V	95.6	Very high	82.5	Confident	81 Å²	81	89.2 Å²	89.2	49%	0.491	43%	0.434	S	S	.	.			trans	-119.2	97.1	175	-177.5	0	0	0	0	108	N39 K101	N39-V99 PolarHBondContact OD1-N 2.98Å; V99-K101 PolarHBondContact O-N 2.72Å
100	L	94.7	Very high	80.2	Confident	118 Å²	118	89.6 Å²	89.6	62%	0.618	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-68.9	121	176.2	-62	-178.6	0	0	0	110.3	I42 Y46 V98	I42-L100 HydrophobicContact CG2-CD2 4.06Å; Y46-L100 HydrophobicContact CD2-CD2 4.45Å; Y46-L100 HydrophobicContact CE2-CD2 3.74Å; V98-L100 HydrophobicContact CG1-CD2 3.81Å; V98-L100 HydrophobicContact CG1-CG 4.22Å
101	K	90.8	Very high	77.9	Confident	72 Å²	72	92.8 Å²	92.8	31%	0.313	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-95.9	162.6	179.9	-58.7	178	-169.7	-176.8	0	110	D40 L43 V99 I103	D40-K101 IonicContact OD1-NZ 3.73Å; D40-K101 PolarHBondContact OD1-NZ 2.88Å; L43-K101 HydrophobicContact CB-CB 4.4Å; L43-K101 HydrophobicContact CD1-CB 4.08Å; L43-K101 HydrophobicContact CD2-CB 3.88Å; L43-K101 HydrophobicContact CD2-CD 4.02Å; L43-K101 HydrophobicContact CG-CB 4.34Å; V99-K101 PolarHBondContact O-N 2.72Å; K101-I103 PolarHBondContact O-N 3.48Å
102	N	86.7	Confident	75.5	Confident	131 Å²	131	93.8 Å²	93.8	70%	0.701	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-67.6	118.4	175.8	-68.4	-32.8	0	0	0	110.2
103	I	79.1	Confident	73.2	Confident	52 Å²	52	92.9 Å²	92.9	27%	0.267	47%	0.466	S	S	.	.	S	Bend	trans	-63	-44.3	177.7	-56.9	171.7	0	0	0	110.7	L43 Y46 E47 Y50 K101	L43-I103 HydrophobicContact CD1-CG1 4.43Å; Y46-I103 HydrophobicContact CG-CD1 4.42Å; E47-I103 HydrophobicContact CG-CG2 3.95Å; Y50-I103 HydrophobicContact CG-CG2 4.28Å; K101-I103 PolarHBondContact O-N 3.48Å
104	L	66.7	Low	70.7	Confident	63 Å²	63	90.4 Å²	90.4	33%	0.33	47%	0.468	S	S	.	.	S	Bend	trans	-112.1	106	175.4	-60.1	178.8	0	0	0	108.9	Y50 L112	Y50-L104 HydrophobicContact CD1-CD1 4.47Å; Y50-L104 HydrophobicContact CD1-CD2 4.12Å; Y50-L104 HydrophobicContact CE1-CD1 3.69Å; Y50-L104 HydrophobicContact CE1-CD2 4.02Å; Y50-L104 HydrophobicContact CE1-CG 4.2Å; Y50-L104 HydrophobicContact CE2-CD1 4.37Å; L104-L112 HydrophobicContact CD2-CD1 3.75Å
105	K	53.8	Low	68.3	Low	122 Å²	122	93.5 Å²	93.5	53%	0.53	49%	0.492	S	S	.	.			trans	-63.2	139.9	158.1	-66.5	-176.1	-178.8	175.5	0	107.3	D107 R108	K105-D107 PolarHBondContact O-N 3.18Å; K105-D107 VanDerWaalsContact O-N 3.1Å; K105-R108 HydrophobicContact CB-CB 4.15Å; K105-R108 HydrophobicContact CB-CG 4.02Å; K105-R108 VanDerWaalsContact O-CA 3.32Å; K105-R108 WeakPolarHBondContact O-CA 3.3Å; K105-R108 VanDerWaalsContact O-CB 3.24Å; K105-R108 WeakPolarHBondContact O-CB 2.93Å; K105-R108 PolarHBondContact O-N 3.36Å
106	K	47.2	Very low	66.2	Low	196 Å²	196	90.2 Å²	90.2	85%	0.852	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.9	176.1	-103.2	-179.2	174.2	178.2	0	112	R108	K106-R108 VanDerWaalsContact C-N 3.26Å; K106-R108 PolarHBondContact O-N 2.95Å
107	D	48.4	Very low	64.2	Low	113 Å²	113	90.7 Å²	90.7	60%	0.604	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.7	178.5	-53.1	-40.9	0	0	0	112	K105 I109 N110 E111	K105-D107 PolarHBondContact O-N 3.18Å; K105-D107 VanDerWaalsContact O-N 3.1Å; D107-I109 VanDerWaalsContact C-N 3.35Å; D107-I109 PolarHBondContact O-N 3.19Å; D107-N110 CarbonylContact O-C 3.46Å; D107-N110 WeakPolarHBondContact O-CA 3.29Å; D107-N110 WeakPolarHBondContact O-CB 3.47Å; D107-N110 PolarHBondContact O-N 3.25Å; D107-N110 VanDerWaalsContact O-N 3.12Å; D107-E111 WeakPolarHBondContact O-CB 3.46Å; D107-E111 PolarHBondContact O-N 3.02Å
108	R	49.3	Very low	62.2	Low	77 Å²	77	85.1 Å²	85.1	29%	0.291	47%	0.469	S	S	.	.	H	α-helix	trans	-70.5	-9.7	173.7	-83.4	-172.6	175.9	-147.9	-6.5	115.7	E47 K105 K106 N110 E111 L112	E47-R108 IonicContact OE1-CZ 3.46Å; E47-R108 IonicContact OE1-NH1 3.84Å; E47-R108 PolarHBondContact OE1-NH1 3.48Å; E47-R108 IonicContact OE2-NH1 3.59Å; K105-R108 HydrophobicContact CB-CB 4.15Å; K105-R108 HydrophobicContact CB-CG 4.02Å; K105-R108 VanDerWaalsContact O-CA 3.32Å; K105-R108 WeakPolarHBondContact O-CA 3.3Å; K105-R108 VanDerWaalsContact O-CB 3.24Å; K105-R108 WeakPolarHBondContact O-CB 2.93Å; K105-R108 PolarHBondContact O-N 3.36Å; K106-R108 VanDerWaalsContact C-N 3.26Å; K106-R108 PolarHBondContact O-N 2.95Å; R108-N110 VanDerWaalsContact C-N 3.31Å; R108-E111 HydrophobicContact CB-CB 4.22Å; R108-E111 HydrophobicContact CG-CB 3.77Å; R108-E111 WeakPolarHBondContact CG-OE2 3.41Å; R108-E111 IonicContact NE-OE2 2.65Å; R108-E111 PolarHBondContact NE-OE2 2.98Å; R108-E111 VanDerWaalsContact NE-OE2 3.17Å; R108-L112 HydrophobicContact CB-CD1 4.27Å; R108-L112 HydrophobicContact CB-CG 4.41Å; R108-L112 VanDerWaalsContact O-CA 3.31Å; R108-L112 WeakPolarHBondContact O-CA 3.42Å; R108-L112 WeakPolarHBondContact O-CB 3.45Å; R108-L112 VanDerWaalsContact O-CD1 3.28Å; R108-L112 WeakPolarHBondContact O-CD1 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 3.27Å
109	I	50.7	Low	60.6	Low	122 Å²	122	85.7 Å²	85.7	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-67.5	-43.7	163.3	-68.1	173.5	0	0	0	109.1	D107 A113	D107-I109 VanDerWaalsContact C-N 3.35Å; D107-I109 PolarHBondContact O-N 3.19Å; I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.45Å; I109-A113 VanDerWaalsContact O-N 3.14Å
110	N	50.9	Low	59.8	Low	116 Å²	116	87.4 Å²	87.4	62%	0.62	48%	0.477	S	S	*	.	H	α-helix	trans	-70.7	-40.3	173	-62.5	-32.9	0	0	0	111	D107 R108 A113 S114	D107-N110 CarbonylContact O-C 3.46Å; D107-N110 WeakPolarHBondContact O-CA 3.29Å; D107-N110 WeakPolarHBondContact O-CB 3.47Å; D107-N110 PolarHBondContact O-N 3.25Å; D107-N110 VanDerWaalsContact O-N 3.12Å; R108-N110 VanDerWaalsContact C-N 3.31Å; N110-A113 CarbonylContact O-C 3.41Å; N110-A113 WeakPolarHBondContact O-CB 3.48Å; N110-A113 PolarHBondContact O-N 2.87Å; N110-S114 VanDerWaalsContact O-CB 3.26Å; N110-S114 WeakPolarHBondContact O-CB 3.37Å; N110-S114 PolarHBondContact O-N 3.11Å; N110-S114 PolarHBondContact O-OG 3.33Å
111	E	50.3	Low	59.6	Low	91 Å²	91	82 Å²	82	43%	0.425	45%	0.448	S	S	.	.	H	α-helix	trans	-74.9	-30.1	-179.3	-126	179.7	-133.8	0	0	112.3	D107 R108 S114 S115	D107-E111 WeakPolarHBondContact O-CB 3.46Å; D107-E111 PolarHBondContact O-N 3.02Å; R108-E111 HydrophobicContact CB-CB 4.22Å; R108-E111 HydrophobicContact CG-CB 3.77Å; R108-E111 WeakPolarHBondContact CG-OE2 3.41Å; R108-E111 IonicContact NE-OE2 2.65Å; R108-E111 PolarHBondContact NE-OE2 2.98Å; R108-E111 VanDerWaalsContact NE-OE2 3.17Å; E111-S114 CarbonylContact O-C 3.57Å; E111-S114 PolarHBondContact O-N 3.26Å; E111-S115 WeakPolarHBondContact O-CA 3.21Å; E111-S115 WeakPolarHBondContact O-CB 3.32Å; E111-S115 PolarHBondContact O-N 2.92Å; E111-S115 PolarHBondContact O-OG 3.24Å
112	L	48.5	Very low	59.6	Low	21 Å²	21	86.1 Å²	86.1	11%	0.11	47%	0.466	C	S	.	.	H	α-helix	trans	-67.9	-46.9	170.1	-83.4	152.2	0	0	0	108.4	L104 R108 S114 S115 G116 V117	L104-L112 HydrophobicContact CD2-CD1 3.75Å; R108-L112 HydrophobicContact CB-CD1 4.27Å; R108-L112 HydrophobicContact CB-CG 4.41Å; R108-L112 VanDerWaalsContact O-CA 3.31Å; R108-L112 WeakPolarHBondContact O-CA 3.42Å; R108-L112 WeakPolarHBondContact O-CB 3.45Å; R108-L112 VanDerWaalsContact O-CD1 3.28Å; R108-L112 WeakPolarHBondContact O-CD1 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 3.27Å; L112-S114 PolarHBondContact O-N 3.22Å; L112-S115 VanDerWaalsContact CA-OG 3.23Å; L112-S115 WeakPolarHBondContact CA-OG 3.46Å; L112-S115 PolarHBondContact O-N 2.96Å; L112-S115 PolarHBondContact O-OG 3.19Å; L112-G116 PolarHBondContact O-N 3.05Å; L112-V117 HydrophobicContact CD2-CB 3.81Å; L112-V117 HydrophobicContact CD2-CG1 3.96Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 PolarHBondContact O-N 3.43Å
113	A	49.8	Very low	59.9	Low	72 Å²	72	82.8 Å²	82.8	60%	0.595	45%	0.448	S	S	*	.	H	α-helix	trans	-56.7	-33.2	169.5	0	0	0	0	0	112.5	I109 N110	I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.45Å; I109-A113 VanDerWaalsContact O-N 3.14Å; N110-A113 CarbonylContact O-C 3.41Å; N110-A113 WeakPolarHBondContact O-CB 3.48Å; N110-A113 PolarHBondContact O-N 2.87Å
114	S	45.2	Very low	60.7	Low	102 Å²	102	80.6 Å²	80.6	71%	0.713	44%	0.437	S	S	*	.	H	α-helix	trans	-87.8	-25.4	179	-53.4	0	0	0	0	113.8	N110 E111 L112 G116	N110-S114 VanDerWaalsContact O-CB 3.26Å; N110-S114 WeakPolarHBondContact O-CB 3.37Å; N110-S114 PolarHBondContact O-N 3.11Å; N110-S114 PolarHBondContact O-OG 3.33Å; E111-S114 CarbonylContact O-C 3.57Å; E111-S114 PolarHBondContact O-N 3.26Å; L112-S114 PolarHBondContact O-N 3.22Å; S114-G116 PolarHBondContact O-N 2.92Å
115	S	46.8	Very low	62	Low	80 Å²	80	80.1 Å²	80.1	56%	0.559	43%	0.433	S	S	*	.	H	α-helix	trans	-75.7	-6.4	175	71.3	0	0	0	0	111.2	E111 L112	E111-S115 WeakPolarHBondContact O-CA 3.21Å; E111-S115 WeakPolarHBondContact O-CB 3.32Å; E111-S115 PolarHBondContact O-N 2.92Å; E111-S115 PolarHBondContact O-OG 3.24Å; L112-S115 VanDerWaalsContact CA-OG 3.23Å; L112-S115 WeakPolarHBondContact CA-OG 3.46Å; L112-S115 PolarHBondContact O-N 2.96Å; L112-S115 PolarHBondContact O-OG 3.19Å
116	G	46.1	Very low	64	Low	55 Å²	55	76.7 Å²	76.7	57%	0.567	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	16.8	179.8	0	0	0	0	0	113.3	L112 S114 P118	L112-G116 PolarHBondContact O-N 3.05Å; S114-G116 PolarHBondContact O-N 2.92Å; G116-P118 WeakPolarHBondContact O-CD 3.45Å
117	V	53.2	Low	66.3	Low	23 Å²	23	67.4 Å²	67.4	14%	0.139	38%	0.378	C	S	.	.			trans	-88	94	167	178.5	0	0	0	0	107.3	L112 M119 T130	L112-V117 HydrophobicContact CD2-CB 3.81Å; L112-V117 HydrophobicContact CD2-CG1 3.96Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 PolarHBondContact O-N 3.43Å; V117-M119 HydrophobicContact CG1-SD 4.02Å; V117-M119 PolarHBondContact O-N 2.86Å; V117-T130 HydrophobicContact CB-CG2 4.44Å; V117-T130 HydrophobicContact CG1-CG2 3.75Å; V117-T130 HydrophobicContact CG2-CG2 4.42Å
118	P	54.7	Low	68.6	Low	40 Å²	40	62 Å²	62	26%	0.26	35%	0.35	S	S	.	.			trans	-63.8	110.8	175	27.2	-34.6	0	0	0	108.6	G116 F121	G116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-F121 HydrophobicContact CG-CD1 4.06Å; P118-F121 HydrophobicContact CG-CE1 4.12Å; P118-F121 VanDerWaalsContact O-CD1 3.29Å; P118-F121 WeakPolarHBondContact O-CD1 3.28Å; P118-F121 WeakPolarHBondContact O-CE1 3.21Å; P118-F121 WeakPolarHBondContact O-CZ 2.97Å
119	M	64.6	Low	70.8	Confident	53 Å²	53	61.6 Å²	61.6	26%	0.261	35%	0.353	S	S	.	.	S	Bend	trans	-80.4	-6	166.7	-65.7	-60.4	-91.1	0	0	110.6	Y50 H54 V117	Y50-M119 HydrophobicContact CE1-CE 4.36Å; H54-M119 HydrophobicContact CB-CE 3.68Å; H54-M119 HydrophobicContact CB-SD 4.44Å; H54-M119 PolarHBondContact CE1-O 3.35Å; H54-M119 WeakPolarHBondContact ND1-CE 3.45Å; H54-M119 PolarHBondContact ND1-SD 3.22Å; V117-M119 HydrophobicContact CG1-SD 4.02Å; V117-M119 PolarHBondContact O-N 2.86Å
120	D	78.9	Confident	72.7	Confident	117 Å²	117	56.5 Å²	56.5	63%	0.626	33%	0.327	S	S	*	.	S	Bend	trans	-110.9	76.6	169	-166.5	27.8	0	0	0	109.3
121	F	89.4	Confident	74.9	Confident	5 Å²	5	51 Å²	51	2%	0.022	30%	0.298	C	S	.	.			trans	-66.8	137.5	-179.6	-58	-76.1	0	0	0	111	H54 M55 Y58 P118 E126 V127 T130	H54-F121 AromaticContact ND1-CE2 3.89Å; M55-F121 HydrophobicContact CB-CE2 4.45Å; M55-F121 HydrophobicContact CE-CE1 4.37Å; M55-F121 HydrophobicContact CE-CZ 4.15Å; M55-F121 HydrophobicContact CG-CE1 4.33Å; M55-F121 HydrophobicContact CG-CE2 3.84Å; M55-F121 HydrophobicContact CG-CZ 3.55Å; Y58-F121 HydrophobicContact CD1-CB 3.58Å; Y58-F121 HydrophobicContact CD1-CD2 4.03Å; Y58-F121 HydrophobicContact CD1-CG 4.07Å; Y58-F121 HydrophobicContact CD2-CB 3.95Å; Y58-F121 HydrophobicContact CE1-CB 3.59Å; Y58-F121 HydrophobicContact CE1-CG 4.46Å; Y58-F121 HydrophobicContact CE2-CB 3.96Å; Y58-F121 WeakPolarHBondContact CE2-O 3.26Å; Y58-F121 HydrophobicContact CG-CB 3.77Å; Y58-F121 AromaticContact CG-CD2 3.92Å; Y58-F121 HydrophobicContact CG-CD2 3.92Å; Y58-F121 HydrophobicContact CG-CG 4.27Å; P118-F121 HydrophobicContact CG-CD1 4.06Å; P118-F121 HydrophobicContact CG-CE1 4.12Å; P118-F121 VanDerWaalsContact O-CD1 3.29Å; P118-F121 WeakPolarHBondContact O-CD1 3.28Å; P118-F121 WeakPolarHBondContact O-CE1 3.21Å; P118-F121 WeakPolarHBondContact O-CZ 2.97Å; F121-E126 HydrophobicContact CD1-CB 4.37Å; F121-V127 HydrophobicContact CB-CG2 3.97Å; F121-V127 HydrophobicContact CD1-CB 4.42Å; F121-V127 HydrophobicContact CD1-CG2 3.62Å; F121-V127 HydrophobicContact CD2-CG2 4.27Å; F121-V127 HydrophobicContact CE1-CG2 4.14Å; F121-V127 HydrophobicContact CG-CG2 3.7Å; F121-T130 HydrophobicContact CE1-CG2 4.19Å; F121-T130 HydrophobicContact CZ-CG2 4.48Å
122	K	90.6	Very high	77.2	Confident	157 Å²	157	47.4 Å²	47.4	68%	0.683	28%	0.282	S	S	*	.			trans	-100.5	-25.4	179.5	-60.5	175.4	-166.8	156.3	0	113.4	Y58 E126	Y58-K122 PolarHBondContact OH-O 3.14Å; K122-E126 WeakPolarHBondContact CB-OE2 3.27Å; K122-E126 WeakPolarHBondContact CD-OE1 3.42Å; K122-E126 PolarHBondContact N-OE2 3.14Å
123	N	93.3	Very high	79.3	Confident	61 Å²	61	48.3 Å²	48.3	33%	0.326	30%	0.296	S	S	.	.	S	Bend	trans	-162.2	172.7	-179.2	56.9	68.4	0	0	0	110.7	Y58 H125 E126 V127	Y58-N123 VanDerWaalsContact OH-CA 3.27Å; Y58-N123 WeakPolarHBondContact OH-CA 3.23Å; Y58-N123 PolarHBondContact OH-N 2.72Å; Y58-N123 VanDerWaalsContact OH-N 3.07Å; N123-H125 VanDerWaalsContact C-N 3.26Å; N123-H125 PolarHBondContact O-N 3.28Å; N123-H125 WeakPolarHBondContact OD1-CA 3.08Å; N123-H125 VanDerWaalsContact OD1-CB 3.25Å; N123-H125 WeakPolarHBondContact OD1-CB 3.42Å; N123-H125 PolarHBondContact OD1-N 2.8Å; N123-E126 PolarHBondContact O-N 2.66Å; N123-E126 PolarHBondContact OD1-N 3.24Å; N123-E126 VanDerWaalsContact OD1-N 3.12Å; N123-V127 PolarHBondContact O-N 3.04Å
124	I	95.8	Very high	81.4	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-27.2	178.7	-175.4	59.9	0	0	0	113.9	L59 L66 F69 V127 I128 L182 V189	L59-I124 HydrophobicContact CD2-CD1 3.87Å; L66-I124 HydrophobicContact CD1-CB 3.79Å; L66-I124 HydrophobicContact CD1-CG1 4.39Å; L66-I124 HydrophobicContact CD1-CG2 4.38Å; F69-I124 HydrophobicContact CB-CD1 4.18Å; F69-I124 HydrophobicContact CD1-CD1 3.44Å; F69-I124 VanDerWaalsContact CD1-CD1 3.44Å; F69-I124 HydrophobicContact CD1-CG1 4.11Å; F69-I124 HydrophobicContact CD2-CD1 4.13Å; F69-I124 HydrophobicContact CD2-CG1 4.35Å; F69-I124 HydrophobicContact CE1-CD1 3.64Å; F69-I124 HydrophobicContact CE1-CG1 3.8Å; F69-I124 HydrophobicContact CE2-CD1 4.33Å; F69-I124 HydrophobicContact CE2-CG1 4.1Å; F69-I124 HydrophobicContact CG-CD1 3.67Å; F69-I124 HydrophobicContact CG-CG1 4.34Å; F69-I124 HydrophobicContact CZ-CD1 4.09Å; F69-I124 HydrophobicContact CZ-CG1 3.81Å; I124-V127 HydrophobicContact CD1-CB 4.21Å; I124-V127 HydrophobicContact CD1-CG1 4.34Å; I124-V127 WeakPolarHBondContact O-CB 3.45Å; I124-V127 PolarHBondContact O-N 2.76Å; I124-I128 HydrophobicContact CD1-CD1 4.43Å; I124-I128 HydrophobicContact CD1-CG1 4.19Å; I124-I128 HydrophobicContact CG1-CG1 4.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 3.22Å; I124-L182 HydrophobicContact CG1-CD1 3.96Å; I124-L182 HydrophobicContact CG1-CD2 4.48Å; I124-L182 HydrophobicContact CG2-CD1 4.24Å; I124-L182 HydrophobicContact CG2-CD2 4.14Å; I124-V189 HydrophobicContact CG2-CG1 3.98Å; I124-V189 HydrophobicContact CG2-CG2 3.88Å
125	H	95.5	Very high	83.9	Confident	54 Å²	54	40.6 Å²	40.6	25%	0.25	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-41.3	179.2	-59.1	-103.5	0	0	0	111	N123 V127 I128 D129 H183	N123-H125 VanDerWaalsContact C-N 3.26Å; N123-H125 PolarHBondContact O-N 3.28Å; N123-H125 WeakPolarHBondContact OD1-CA 3.08Å; N123-H125 VanDerWaalsContact OD1-CB 3.25Å; N123-H125 WeakPolarHBondContact OD1-CB 3.42Å; N123-H125 PolarHBondContact OD1-N 2.8Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.46Å; H125-I128 PolarHBondContact O-N 3.23Å; H125-D129 WeakPolarHBondContact O-CB 3.26Å; H125-D129 PolarHBondContact O-N 2.59Å; H125-H183 AromaticContact ND1-CE1 3.45Å; H125-H183 PolarHBondContact ND1-CE1 3.16Å; H125-H183 AromaticContact ND1-NE2 3.57Å
126	E	94	Very high	86.3	Confident	50 Å²	50	40.3 Å²	40.3	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-36.9	174.4	-69.1	-177.3	177.1	0	0	111.9	F121 K122 N123 T130	F121-E126 HydrophobicContact CD1-CB 4.37Å; K122-E126 WeakPolarHBondContact CB-OE2 3.27Å; K122-E126 WeakPolarHBondContact CD-OE1 3.42Å; K122-E126 PolarHBondContact N-OE2 3.14Å; N123-E126 PolarHBondContact O-N 2.66Å; N123-E126 PolarHBondContact OD1-N 3.24Å; N123-E126 VanDerWaalsContact OD1-N 3.12Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.49Å; E126-T130 PolarHBondContact O-N 3.26Å; E126-T130 PolarHBondContact O-OG1 3.21Å
127	V	95.5	Very high	88.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-50.1	176	174.5	0	0	0	0	111.1	M55 Y58 L59 F73 F121 N123 I124 H125 T130 A131	M55-V127 HydrophobicContact CB-CG1 4.01Å; M55-V127 HydrophobicContact CE-CG1 4.43Å; M55-V127 WeakPolarHBondContact CE-O 3.33Å; M55-V127 HydrophobicContact CG-CG1 3.88Å; M55-V127 HydrophobicContact SD-CG1 3.69Å; Y58-V127 HydrophobicContact CD1-CG2 3.76Å; Y58-V127 HydrophobicContact CE1-CG2 3.81Å; L59-V127 HydrophobicContact CD1-CG1 4.24Å; L59-V127 HydrophobicContact CD2-CG2 4.46Å; F73-V127 HydrophobicContact CD2-CG1 4.19Å; F73-V127 HydrophobicContact CE2-CG1 3.58Å; F73-V127 HydrophobicContact CZ-CG1 3.79Å; F121-V127 HydrophobicContact CB-CG2 3.97Å; F121-V127 HydrophobicContact CD1-CB 4.42Å; F121-V127 HydrophobicContact CD1-CG2 3.62Å; F121-V127 HydrophobicContact CD2-CG2 4.27Å; F121-V127 HydrophobicContact CE1-CG2 4.14Å; F121-V127 HydrophobicContact CG-CG2 3.7Å; N123-V127 PolarHBondContact O-N 3.04Å; I124-V127 HydrophobicContact CD1-CB 4.21Å; I124-V127 HydrophobicContact CD1-CG1 4.34Å; I124-V127 WeakPolarHBondContact O-CB 3.45Å; I124-V127 PolarHBondContact O-N 2.76Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.46Å; V127-T130 PolarHBondContact O-N 3.25Å; V127-A131 PolarHBondContact O-N 3.41Å
128	I	97.5	Very high	90.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-42.3	178.9	-65.1	-61.4	0	0	0	111.4	F69 F73 I124 H125 T130 A131 I132 L175 M178 R179 L182	F69-I128 HydrophobicContact CE1-CD1 4.49Å; F73-I128 HydrophobicContact CE2-CD1 4.02Å; F73-I128 HydrophobicContact CZ-CD1 3.92Å; I124-I128 HydrophobicContact CD1-CD1 4.43Å; I124-I128 HydrophobicContact CD1-CG1 4.19Å; I124-I128 HydrophobicContact CG1-CG1 4.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 3.22Å; H125-I128 PolarHBondContact O-N 3.23Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.15Å; I128-A131 PolarHBondContact O-N 3.43Å; I128-I132 HydrophobicContact CG2-CD1 3.88Å; I128-I132 HydrophobicContact CG2-CG1 4.46Å; I128-I132 WeakPolarHBondContact O-CG1 3.28Å; I128-I132 PolarHBondContact O-N 3.36Å; I128-L175 HydrophobicContact CD1-CD2 4.46Å; I128-M178 HydrophobicContact CD1-CB 4.37Å; I128-M178 HydrophobicContact CD1-SD 4.18Å; I128-R179 HydrophobicContact CG2-CB 3.73Å; I128-R179 HydrophobicContact CG2-CG 4.25Å; I128-L182 HydrophobicContact CB-CD1 4.43Å; I128-L182 HydrophobicContact CG1-CD1 3.69Å
129	D	95.2	Very high	92.7	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-39.1	177.6	-78.1	-7.5	0	0	0	111.4	H125 I132 G133 R179	H125-D129 WeakPolarHBondContact O-CB 3.26Å; H125-D129 PolarHBondContact O-N 2.59Å; D129-I132 PolarHBondContact O-N 3.4Å; D129-G133 PolarHBondContact O-N 2.91Å; D129-R179 WeakPolarHBondContact OD1-CD 3.3Å; D129-R179 IonicContact OD1-CZ 2.76Å; D129-R179 IonicContact OD1-NE 3.35Å; D129-R179 PolarHBondContact OD1-NE 3.49Å; D129-R179 IonicContact OD1-NH2 3.99Å; D129-R179 IonicContact OD2-NE 3.02Å; D129-R179 IonicContact OD2-NH2 2.82Å
130	T	92.1	Very high	94.3	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43.2	174.4	-58.5	0	0	0	0	111.6	I51 M55 V117 F121 E126 V127 I128 G133 K134	I51-T130 HydrophobicContact CG2-CG2 4.3Å; M55-T130 HydrophobicContact CE-CG2 3.36Å; V117-T130 HydrophobicContact CB-CG2 4.44Å; V117-T130 HydrophobicContact CG1-CG2 3.75Å; V117-T130 HydrophobicContact CG2-CG2 4.42Å; F121-T130 HydrophobicContact CE1-CG2 4.19Å; F121-T130 HydrophobicContact CZ-CG2 4.48Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.49Å; E126-T130 PolarHBondContact O-N 3.26Å; E126-T130 PolarHBondContact O-OG1 3.21Å; V127-T130 PolarHBondContact O-N 3.25Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.15Å; T130-G133 PolarHBondContact O-N 3.13Å; T130-K134 PolarHBondContact O-N 2.58Å
131	A	96.4	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-45.2	178.5	0	0	0	0	0	111.3	Y52 M55 F73 V127 I128 G133 K134 E135 L175	Y52-A131 HydrophobicContact CE1-CB 3.79Å; M55-A131 HydrophobicContact CE-CB 4.11Å; M55-A131 HydrophobicContact SD-CB 4.4Å; F73-A131 HydrophobicContact CE1-CB 3.72Å; F73-A131 HydrophobicContact CZ-CB 3.95Å; V127-A131 PolarHBondContact O-N 3.41Å; I128-A131 PolarHBondContact O-N 3.43Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.3Å; A131-K134 PolarHBondContact O-N 3.17Å; A131-E135 WeakPolarHBondContact O-CG 3.39Å; A131-E135 PolarHBondContact O-N 3.24Å; A131-L175 HydrophobicContact CB-CD1 3.92Å; A131-L175 HydrophobicContact CB-CD2 4.13Å
132	I	97.4	Very high	95.7	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-43.1	174.9	-68.1	166.9	0	0	0	110.8	I128 D129 E135 L136 L175 R176 R179	I128-I132 HydrophobicContact CG2-CD1 3.88Å; I128-I132 HydrophobicContact CG2-CG1 4.46Å; I128-I132 WeakPolarHBondContact O-CG1 3.28Å; I128-I132 PolarHBondContact O-N 3.36Å; D129-I132 PolarHBondContact O-N 3.4Å; I132-E135 PolarHBondContact O-N 3.32Å; I132-L136 HydrophobicContact CG2-CD1 3.88Å; I132-L136 HydrophobicContact CG2-CG 4.36Å; I132-L136 WeakPolarHBondContact O-CB 3.27Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 2.88Å; I132-L175 HydrophobicContact CD1-CB 4.23Å; I132-L175 HydrophobicContact CG1-CB 3.55Å; I132-L175 HydrophobicContact CG1-CD1 4.25Å; I132-R176 HydrophobicContact CD1-CG 4.31Å; I132-R179 HydrophobicContact CD1-CB 3.97Å; I132-R179 HydrophobicContact CD1-CG 4.33Å
133	G	93	Very high	96.1	Very high	40 Å²	40	33.2 Å²	33.2	41%	0.412	19%	0.186	S	C	.	.	H	α-helix	trans	-57.6	-48.2	176	0	0	0	0	0	111.9	D129 T130 A131 L136 E137	D129-G133 PolarHBondContact O-N 2.91Å; T130-G133 PolarHBondContact O-N 3.13Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.3Å; G133-L136 PolarHBondContact O-N 3.06Å; G133-E137 PolarHBondContact O-N 3.1Å
134	K	93.7	Very high	96.3	Very high	8 Å²	8	33 Å²	33	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-45.9	179.3	-175.5	55.5	175.8	177.7	0	112.2	N44 E47 A48 I51 T130 A131 L136 E137 V138	N44-K134 PolarHBondContact O-NZ 3.34Å; N44-K134 PolarHBondContact OD1-NZ 3.35Å; E47-K134 IonicContact OE2-NZ 3.59Å; A48-K134 VanDerWaalsContact CA-CE 3.46Å; A48-K134 HydrophobicContact CB-CD 4.43Å; A48-K134 HydrophobicContact CB-CG 4.07Å; I51-K134 HydrophobicContact CD1-CD 3.98Å; I51-K134 HydrophobicContact CD1-CG 4.31Å; T130-K134 PolarHBondContact O-N 2.58Å; A131-K134 PolarHBondContact O-N 3.17Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.34Å; K134-E137 WeakPolarHBondContact O-CB 3.41Å; K134-E137 PolarHBondContact O-N 2.77Å; K134-E137 VanDerWaalsContact O-N 3.13Å; K134-V138 HydrophobicContact CD-CG2 4.28Å; K134-V138 HydrophobicContact CG-CG2 4.45Å; K134-V138 WeakPolarHBondContact O-CG2 3.38Å; K134-V138 PolarHBondContact O-N 3.21Å
135	E	97.8	Very high	96.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-38.2	177.1	-70.7	-53.5	151.3	0	0	112.4	Y52 A131 I132 T139 Q168 V172 L175	Y52-E135 WeakPolarHBondContact OH-CG 3.35Å; Y52-E135 PolarHBondContact OH-OE1 3.15Å; A131-E135 WeakPolarHBondContact O-CG 3.39Å; A131-E135 PolarHBondContact O-N 3.24Å; I132-E135 PolarHBondContact O-N 3.32Å; E135-T139 VanDerWaalsContact O-CB 3.27Å; E135-T139 WeakPolarHBondContact O-CB 3.47Å; E135-T139 PolarHBondContact O-N 2.83Å; E135-T139 PolarHBondContact O-OG1 2.93Å; E135-Q168 PolarHBondContact O-NE2 3.3Å; E135-Q168 PolarHBondContact OE2-NE2 2.76Å; E135-V172 HydrophobicContact CB-CG2 3.6Å; E135-L175 HydrophobicContact CB-CD1 4.41Å; E135-L175 HydrophobicContact CG-CD1 3.48Å; E135-L175 VanDerWaalsContact CG-CD1 3.48Å
136	L	97.1	Very high	96.6	Very high	73 Å²	73	32.3 Å²	32.3	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-67.9	-36.8	176.4	-70.4	173.4	0	0	0	112.3	I132 G133 K134 A140 V172	I132-L136 HydrophobicContact CG2-CD1 3.88Å; I132-L136 HydrophobicContact CG2-CG 4.36Å; I132-L136 WeakPolarHBondContact O-CB 3.27Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 2.88Å; G133-L136 PolarHBondContact O-N 3.06Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.34Å; L136-A140 WeakPolarHBondContact O-CB 3.33Å; L136-A140 PolarHBondContact O-N 3.23Å; L136-V172 HydrophobicContact CD2-CG1 4.06Å; L136-V172 HydrophobicContact CD2-CG2 4.23Å
137	E	94.6	Very high	96.9	Very high	77 Å²	77	36.8 Å²	36.8	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-50.7	173.2	-176.5	-173.4	158.7	0	0	111.3	G133 K134 T139 A140 H141	G133-E137 PolarHBondContact O-N 3.1Å; K134-E137 WeakPolarHBondContact O-CB 3.41Å; K134-E137 PolarHBondContact O-N 2.77Å; K134-E137 VanDerWaalsContact O-N 3.13Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3.12Å; E137-A140 PolarHBondContact O-N 3.46Å; E137-A140 VanDerWaalsContact O-N 3.13Å; E137-H141 PolarHBondContact O-CD2 3.22Å; E137-H141 PolarHBondContact O-N 2.95Å; E137-H141 IonicContact OE1-CE1 3.77Å
138	V	96.4	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.2	-49.6	174.8	171.6	0	0	0	0	110.6	N44 K134 A140 H141 I142	N44-V138 WeakPolarHBondContact ND2-CA 3.43Å; K134-V138 HydrophobicContact CD-CG2 4.28Å; K134-V138 HydrophobicContact CG-CG2 4.45Å; K134-V138 WeakPolarHBondContact O-CG2 3.38Å; K134-V138 PolarHBondContact O-N 3.21Å; V138-A140 VanDerWaalsContact C-N 3.33Å; V138-A140 PolarHBondContact O-N 3.4Å; V138-H141 PolarHBondContact O-N 3.43Å; V138-I142 HydrophobicContact CG1-CD1 3.89Å; V138-I142 WeakPolarHBondContact O-CG1 3.44Å; V138-I142 PolarHBondContact O-N 2.78Å
139	T	98.4	Very high	97.1	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-41.6	177.7	-52.7	0	0	0	0	112.4	E135 E137 I142 N143 Q168	E135-T139 VanDerWaalsContact O-CB 3.27Å; E135-T139 WeakPolarHBondContact O-CB 3.47Å; E135-T139 PolarHBondContact O-N 2.83Å; E135-T139 PolarHBondContact O-OG1 2.93Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3.12Å; T139-I142 PolarHBondContact O-N 2.74Å; T139-N143 WeakPolarHBondContact O-CB 3.32Å; T139-N143 PolarHBondContact O-N 2.91Å; T139-N143 PolarHBondContact O-ND2 2.99Å; T139-Q168 HydrophobicContact CG2-CB 4.08Å; T139-Q168 HydrophobicContact CG2-CG 4.47Å; T139-Q168 WeakPolarHBondContact OG1-CB 3.26Å; T139-Q168 PolarHBondContact OG1-NE2 3.09Å; T139-Q168 VanDerWaalsContact OG1-NE2 3.17Å
140	A	98.3	Very high	97.2	Very high	56 Å²	56	38 Å²	38	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-39.7	179.2	0	0	0	0	0	111.6	L136 E137 V138 N143 A144	L136-A140 WeakPolarHBondContact O-CB 3.33Å; L136-A140 PolarHBondContact O-N 3.23Å; E137-A140 PolarHBondContact O-N 3.46Å; E137-A140 VanDerWaalsContact O-N 3.13Å; V138-A140 VanDerWaalsContact C-N 3.33Å; V138-A140 PolarHBondContact O-N 3.4Å; A140-N143 PolarHBondContact O-N 2.95Å; A140-A144 WeakPolarHBondContact O-CB 3.14Å; A140-A144 PolarHBondContact O-N 3.06Å
141	H	98.2	Very high	97.5	Very high	81 Å²	81	44.5 Å²	44.5	38%	0.375	25%	0.247	S	C	.	.	H	α-helix	trans	-66.7	-44.6	176.6	-70.8	-172.6	0	0	0	111.7	N44 E137 V138 N143 A144 L145	N44-H141 PolarHBondContact ND2-ND1 3.32Å; E137-H141 PolarHBondContact O-CD2 3.22Å; E137-H141 PolarHBondContact O-N 2.95Å; E137-H141 IonicContact OE1-CE1 3.77Å; V138-H141 PolarHBondContact O-N 3.43Å; H141-N143 VanDerWaalsContact C-N 3.33Å; H141-N143 PolarHBondContact O-N 3.4Å; H141-A144 PolarHBondContact O-N 3.41Å; H141-A144 VanDerWaalsContact O-N 3.15Å; H141-L145 WeakPolarHBondContact O-CB 3.24Å; H141-L145 PolarHBondContact O-N 3.25Å
142	I	98.8	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-44.1	175	-65.2	167.6	0	0	0	110.7	Q41 V138 T139 A144 L145 H146 L161 F164 L165 Q168	Q41-I142 HydrophobicContact CG-CG1 4.4Å; V138-I142 HydrophobicContact CG1-CD1 3.89Å; V138-I142 WeakPolarHBondContact O-CG1 3.44Å; V138-I142 PolarHBondContact O-N 2.78Å; T139-I142 PolarHBondContact O-N 2.74Å; I142-A144 VanDerWaalsContact C-N 3.34Å; I142-A144 PolarHBondContact O-N 3.12Å; I142-L145 PolarHBondContact O-N 3.4Å; I142-H146 VanDerWaalsContact O-CB 3.3Å; I142-H146 WeakPolarHBondContact O-CB 3.32Å; I142-H146 PolarHBondContact O-N 2.63Å; I142-L161 HydrophobicContact CG2-CB 4.31Å; I142-L161 HydrophobicContact CG2-CD2 4.28Å; I142-F164 HydrophobicContact CD1-CB 4.05Å; I142-L165 HydrophobicContact CB-CD2 4.32Å; I142-L165 HydrophobicContact CG2-CD2 3.57Å; I142-L165 HydrophobicContact CG2-CG 3.74Å; I142-Q168 HydrophobicContact CD1-CG 3.81Å
143	N	98.7	Very high	97.3	Very high	62 Å²	62	53.2 Å²	53.2	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-39.9	175.9	-88.3	-83.1	0	0	0	112.9	T139 A140 H141 K147 L165	T139-N143 WeakPolarHBondContact O-CB 3.32Å; T139-N143 PolarHBondContact O-N 2.91Å; T139-N143 PolarHBondContact O-ND2 2.99Å; A140-N143 PolarHBondContact O-N 2.95Å; H141-N143 VanDerWaalsContact C-N 3.33Å; H141-N143 PolarHBondContact O-N 3.4Å; N143-K147 VanDerWaalsContact O-CG 3.3Å; N143-K147 WeakPolarHBondContact O-CG 3.45Å; N143-K147 PolarHBondContact O-N 3.03Å; N143-K147 VanDerWaalsContact O-N 3.13Å; N143-L165 WeakPolarHBondContact ND2-CD2 3.45Å
144	A	98.8	Very high	97.5	Very high	58 Å²	58	52 Å²	52	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.9	0	0	0	0	0	111.2	A140 H141 I142 K147 L148	A140-A144 WeakPolarHBondContact O-CB 3.14Å; A140-A144 PolarHBondContact O-N 3.06Å; H141-A144 PolarHBondContact O-N 3.41Å; H141-A144 VanDerWaalsContact O-N 3.15Å; I142-A144 VanDerWaalsContact C-N 3.34Å; I142-A144 PolarHBondContact O-N 3.12Å; A144-K147 PolarHBondContact O-N 3.49Å; A144-L148 PolarHBondContact O-N 2.95Å
145	L	98.9	Very high	97.6	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-41.5	177.5	-175.9	57	0	0	0	112	V34 L38 Q41 H141 I142 K147 L148 A149 L161	V34-L145 HydrophobicContact CG1-CD1 4.46Å; L38-L145 HydrophobicContact CD2-CD2 3.77Å; L38-L145 HydrophobicContact CG-CD2 4Å; Q41-L145 HydrophobicContact CB-CD2 4.32Å; H141-L145 WeakPolarHBondContact O-CB 3.24Å; H141-L145 PolarHBondContact O-N 3.25Å; I142-L145 PolarHBondContact O-N 3.4Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.37Å; L145-L148 HydrophobicContact CD1-CD2 4.36Å; L145-L148 WeakPolarHBondContact O-CB 3.1Å; L145-L148 PolarHBondContact O-N 3.17Å; L145-L148 VanDerWaalsContact O-N 3.16Å; L145-A149 WeakPolarHBondContact O-CB 3.38Å; L145-A149 PolarHBondContact O-N 2.6Å; L145-L161 HydrophobicContact CB-CD1 4.24Å; L145-L161 HydrophobicContact CD2-CD1 4.11Å; L145-L161 HydrophobicContact CD2-CD2 4.09Å; L145-L161 HydrophobicContact CG-CD1 3.82Å
146	H	98.7	Very high	97.6	Very high	36 Å²	36	58.2 Å²	58.2	17%	0.167	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-41.6	175.7	-178.1	-88.4	0	0	0	111.7	I142 A149 S150 Q158 L161 D162 L165	I142-H146 VanDerWaalsContact O-CB 3.3Å; I142-H146 WeakPolarHBondContact O-CB 3.32Å; I142-H146 PolarHBondContact O-N 2.63Å; H146-A149 PolarHBondContact O-N 3.26Å; H146-S150 PolarHBondContact O-N 3.13Å; H146-Q158 PolarHBondContact CE1-NE2 3.29Å; H146-Q158 WeakPolarHBondContact NE2-CB 3.49Å; H146-Q158 PolarHBondContact NE2-NE2 3.16Å; H146-Q158 VanDerWaalsContact NE2-NE2 3.16Å; H146-L161 HydrophobicContact CB-CD1 3.99Å; H146-D162 IonicContact CD2-OD1 2.8Å; H146-D162 IonicContact NE2-OD1 3.19Å; H146-D162 PolarHBondContact NE2-OD1 2.98Å; H146-L165 HydrophobicContact CB-CD1 4.47Å
147	K	98.8	Very high	97.7	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-39.7	173	-72.8	167.8	-175.8	171	0	112.4	N143 A144 L145 S150 K151	N143-K147 VanDerWaalsContact O-CG 3.3Å; N143-K147 WeakPolarHBondContact O-CG 3.45Å; N143-K147 PolarHBondContact O-N 3.03Å; N143-K147 VanDerWaalsContact O-N 3.13Å; A144-K147 PolarHBondContact O-N 3.49Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.37Å; K147-S150 PolarHBondContact O-N 2.86Å; K147-K151 PolarHBondContact O-N 3.41Å
148	L	98.8	Very high	97.9	Very high	38 Å²	38	53 Å²	53	20%	0.199	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-48.1	176.3	178.1	61.4	0	0	0	110.7	Q33 V34 A144 L145 S150 K151 M152	Q33-L148 HydrophobicContact CB-CD1 4.26Å; Q33-L148 HydrophobicContact CB-CD2 4.12Å; Q33-L148 WeakPolarHBondContact O-CD2 3.41Å; V34-L148 HydrophobicContact CG2-CG 4.31Å; A144-L148 PolarHBondContact O-N 2.95Å; L145-L148 HydrophobicContact CD1-CD2 4.36Å; L145-L148 WeakPolarHBondContact O-CB 3.1Å; L145-L148 PolarHBondContact O-N 3.17Å; L145-L148 VanDerWaalsContact O-N 3.16Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.15Å; L148-K151 WeakPolarHBondContact O-CB 3.28Å; L148-K151 PolarHBondContact O-N 3.2Å; L148-K151 VanDerWaalsContact O-N 3.09Å; L148-M152 HydrophobicContact CD1-CG 4.16Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 3.06Å
149	A	98.5	Very high	98	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.3	-44.9	175.1	0	0	0	0	0	111.4	L145 H146 K151 M152 N153 D154 T157 Q158	L145-A149 WeakPolarHBondContact O-CB 3.38Å; L145-A149 PolarHBondContact O-N 2.6Å; H146-A149 PolarHBondContact O-N 3.26Å; A149-K151 PolarHBondContact O-N 2.94Å; A149-M152 CarbonylContact O-C 3.5Å; A149-M152 PolarHBondContact O-N 2.98Å; A149-M152 VanDerWaalsContact O-N 3.16Å; A149-N153 PolarHBondContact O-N 3.5Å; A149-N153 VanDerWaalsContact O-N 3.1Å; A149-D154 HydrophobicContact CB-CB 4.26Å; A149-D154 PolarHBondContact O-N 2.9Å; A149-T157 HydrophobicContact CB-CG2 3.87Å; A149-Q158 HydrophobicContact CB-CG 3.8Å
150	S	98.2	Very high	98	Very high	57 Å²	57	59.2 Å²	59.2	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-45.7	174.5	-167.6	0	0	0	0	113.2	H146 K147 L148 M152 N153 Q158	H146-S150 PolarHBondContact O-N 3.13Å; K147-S150 PolarHBondContact O-N 2.86Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.15Å; S150-M152 PolarHBondContact O-N 3.36Å; S150-N153 PolarHBondContact O-N 3.44Å; S150-Q158 VanDerWaalsContact CA-OE1 3.25Å; S150-Q158 VanDerWaalsContact CB-CD 3.5Å; S150-Q158 PolarHBondContact OG-OE1 3.29Å
151	K	98.2	Very high	98.1	Very high	150 Å²	150	56.6 Å²	56.6	65%	0.652	31%	0.305	S	S	*	.	H	α-helix	trans	-60	-34.2	176.7	-178.4	-172.2	172.3	-166.2	0	112.2	K147 L148 A149 N153	K147-K151 PolarHBondContact O-N 3.41Å; L148-K151 WeakPolarHBondContact O-CB 3.28Å; L148-K151 PolarHBondContact O-N 3.2Å; L148-K151 VanDerWaalsContact O-N 3.09Å; A149-K151 PolarHBondContact O-N 2.94Å; K151-N153 VanDerWaalsContact C-N 3.3Å
152	M	96.2	Very high	98.1	Very high	53 Å²	53	56.2 Å²	56.2	26%	0.261	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.4	178.5	-52.7	-48.4	-86	0	0	112.9	D31 V34 L148 A149 S150 D154	D31-M152 HydrophobicContact CB-CB 4.47Å; D31-M152 HydrophobicContact CB-CE 4.19Å; D31-M152 VanDerWaalsContact OD1-CE 3.26Å; D31-M152 WeakPolarHBondContact OD1-CE 3.45Å; D31-M152 WeakPolarHBondContact OD2-CE 3.26Å; V34-M152 HydrophobicContact CG2-CB 4.13Å; V34-M152 HydrophobicContact CG2-CG 3.99Å; L148-M152 HydrophobicContact CD1-CG 4.16Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 3.06Å; A149-M152 CarbonylContact O-C 3.5Å; A149-M152 PolarHBondContact O-N 2.98Å; A149-M152 VanDerWaalsContact O-N 3.16Å; S150-M152 PolarHBondContact O-N 3.36Å; M152-D154 PolarHBondContact O-N 3.5Å
153	N	94.2	Very high	98	Very high	146 Å²	146	61.8 Å²	61.8	78%	0.781	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	28.1	-176.3	-51.4	-73.7	0	0	0	114.3	A149 S150 K151 A155	A149-N153 PolarHBondContact O-N 3.5Å; A149-N153 VanDerWaalsContact O-N 3.1Å; S150-N153 PolarHBondContact O-N 3.44Å; K151-N153 VanDerWaalsContact C-N 3.3Å; N153-A155 PolarHBondContact O-N 2.98Å
154	D	96.4	Very high	98	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.08	32%	0.321	C	S	.	.			trans	-89.9	76.5	179.2	-171.8	-8.2	0	0	0	111.1	L30 R94 A149 M152 T156 T157 Q158	L30-D154 WeakPolarHBondContact CD2-OD2 3.17Å; R94-D154 IonicContact CZ-OD1 3.88Å; R94-D154 IonicContact CZ-OD2 2.88Å; R94-D154 IonicContact NH1-OD1 3.95Å; R94-D154 PolarHBondContact NH1-OD1 2.88Å; R94-D154 IonicContact NH1-OD2 3.42Å; R94-D154 VanDerWaalsContact NH2-CG 3.3Å; R94-D154 IonicContact NH2-OD1 3.62Å; R94-D154 PolarHBondContact NH2-OD1 2.86Å; R94-D154 IonicContact NH2-OD2 3.63Å; R94-D154 PolarHBondContact NH2-OD2 3.46Å; A149-D154 HydrophobicContact CB-CB 4.26Å; A149-D154 PolarHBondContact O-N 2.9Å; M152-D154 PolarHBondContact O-N 3.5Å; D154-T156 PolarHBondContact O-N 3.13Å; D154-T156 PolarHBondContact OD1-N 3.4Å; D154-T157 VanDerWaalsContact CG-CB 3.43Å; D154-T157 PolarHBondContact O-N 2.94Å; D154-T157 PolarHBondContact OD1-N 3.16Å; D154-T157 PolarHBondContact OD1-OG1 3.05Å; D154-T157 VanDerWaalsContact OD2-CB 3.26Å; D154-T157 WeakPolarHBondContact OD2-CB 3.44Å; D154-T157 PolarHBondContact OD2-OG1 2.85Å; D154-Q158 PolarHBondContact O-N 3.45Å; D154-Q158 VanDerWaalsContact O-N 3.09Å
155	A	96.5	Very high	98	Very high	67 Å²	67	57.8 Å²	57.8	55%	0.554	31%	0.305	S	S	*	.	H	α-helix	trans	-60.3	-32.7	-179.3	0	0	0	0	0	112.9	N153 Q158 D159	N153-A155 PolarHBondContact O-N 2.98Å; A155-Q158 WeakPolarHBondContact O-CB 3.37Å; A155-Q158 PolarHBondContact O-N 3Å; A155-D159 WeakPolarHBondContact O-CB 3.18Å; A155-D159 PolarHBondContact O-N 3.42Å
156	T	97.9	Very high	98	Very high	75 Å²	75	63.2 Å²	63.2	46%	0.46	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-38.5	179.7	-54.6	0	0	0	0	111.6	F90 R94 D154 F160	F90-T156 HydrophobicContact CE2-CG2 4.33Å; F90-T156 HydrophobicContact CZ-CG2 4.29Å; R94-T156 VanDerWaalsContact NH1-CB 3.33Å; D154-T156 PolarHBondContact O-N 3.13Å; D154-T156 PolarHBondContact OD1-N 3.4Å; T156-F160 WeakPolarHBondContact O-CB 3.44Å; T156-F160 PolarHBondContact O-N 2.82Å
157	T	98.6	Very high	98	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-71.3	-35.2	173.5	-61.7	0	0	0	0	111.4	V34 L38 F90 R94 A149 D154 F160 L161	V34-T157 HydrophobicContact CG1-CG2 3.79Å; L38-T157 HydrophobicContact CD1-CG2 4.38Å; L38-T157 HydrophobicContact CD2-CG2 4.44Å; F90-T157 HydrophobicContact CE1-CG2 4.22Å; F90-T157 WeakPolarHBondContact CE1-OG1 3.4Å; R94-T157 PolarHBondContact NH1-OG1 2.52Å; A149-T157 HydrophobicContact CB-CG2 3.87Å; D154-T157 VanDerWaalsContact CG-CB 3.43Å; D154-T157 PolarHBondContact O-N 2.94Å; D154-T157 PolarHBondContact OD1-N 3.16Å; D154-T157 PolarHBondContact OD1-OG1 3.05Å; D154-T157 VanDerWaalsContact OD2-CB 3.26Å; D154-T157 WeakPolarHBondContact OD2-CB 3.44Å; D154-T157 PolarHBondContact OD2-OG1 2.85Å; T157-F160 PolarHBondContact O-N 2.97Å; T157-L161 HydrophobicContact CG2-CD1 3.87Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CD1 3.44Å; T157-L161 WeakPolarHBondContact O-CG 3.42Å; T157-L161 PolarHBondContact O-N 3.46Å; T157-L161 VanDerWaalsContact O-N 3.16Å
158	Q	98.6	Very high	97.9	Very high	42 Å²	42	57.5 Å²	57.5	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-52.2	172.2	-70.2	-165.7	-102	0	0	111.8	H146 A149 S150 D154 A155 F160 L161 D162	H146-Q158 PolarHBondContact CE1-NE2 3.29Å; H146-Q158 WeakPolarHBondContact NE2-CB 3.49Å; H146-Q158 PolarHBondContact NE2-NE2 3.16Å; H146-Q158 VanDerWaalsContact NE2-NE2 3.16Å; A149-Q158 HydrophobicContact CB-CG 3.8Å; S150-Q158 VanDerWaalsContact CA-OE1 3.25Å; S150-Q158 VanDerWaalsContact CB-CD 3.5Å; S150-Q158 PolarHBondContact OG-OE1 3.29Å; D154-Q158 PolarHBondContact O-N 3.45Å; D154-Q158 VanDerWaalsContact O-N 3.09Å; A155-Q158 WeakPolarHBondContact O-CB 3.37Å; A155-Q158 PolarHBondContact O-N 3Å; Q158-F160 VanDerWaalsContact C-N 3.33Å; Q158-F160 PolarHBondContact O-N 2.96Å; Q158-L161 PolarHBondContact O-N 3.29Å; Q158-D162 PolarHBondContact O-N 3.43Å; Q158-D162 VanDerWaalsContact O-N 3.13Å
159	D	98.6	Very high	97.9	Very high	117 Å²	117	59.8 Å²	59.8	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-56.3	-44.8	178.1	-178.9	78.5	0	0	0	112.1	A155 L161 D162	A155-D159 WeakPolarHBondContact O-CB 3.18Å; A155-D159 PolarHBondContact O-N 3.42Å; D159-L161 VanDerWaalsContact C-N 3.27Å; D159-L161 PolarHBondContact O-N 3.19Å; D159-D162 PolarHBondContact O-N 3.38Å
160	F	98.7	Very high	97.9	Very high	38 Å²	38	64.9 Å²	64.9	17%	0.167	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-36.5	175.7	171.7	-104.7	0	0	0	113.4	L38 F87 F90 T156 T157 Q158 F164	L38-F160 HydrophobicContact CD2-CE1 4.45Å; F87-F160 AromaticContact CD1-CE1 3.7Å; F87-F160 HydrophobicContact CD1-CE1 3.7Å; F87-F160 HydrophobicContact CD1-CZ 4.26Å; F87-F160 AromaticContact CE1-CE1 3.7Å; F87-F160 HydrophobicContact CE1-CE1 3.7Å; F87-F160 HydrophobicContact CE1-CZ 4.5Å; F87-F160 HydrophobicContact CG-CE1 4.17Å; F87-F160 HydrophobicContact CG-CZ 4.28Å; F87-F160 HydrophobicContact CZ-CE1 4.17Å; F90-F160 HydrophobicContact CB-CD1 4.39Å; F90-F160 HydrophobicContact CB-CD2 4.22Å; F90-F160 HydrophobicContact CB-CE1 3.96Å; F90-F160 HydrophobicContact CB-CE2 3.75Å; F90-F160 HydrophobicContact CB-CZ 3.61Å; F90-F160 AromaticContact CD1-CD1 3.69Å; F90-F160 HydrophobicContact CD1-CD1 3.69Å; F90-F160 AromaticContact CD1-CE1 3.89Å; F90-F160 HydrophobicContact CD1-CE1 3.89Å; F90-F160 HydrophobicContact CD1-CG 4.04Å; F90-F160 HydrophobicContact CD1-CZ 4.4Å; F90-F160 HydrophobicContact CD2-CB 3.99Å; F90-F160 HydrophobicContact CD2-CD1 4.03Å; F90-F160 AromaticContact CD2-CD2 3.44Å; F90-F160 HydrophobicContact CD2-CD2 3.44Å; F90-F160 VanDerWaalsContact CD2-CD2 3.44Å; F90-F160 HydrophobicContact CD2-CE1 4.41Å; F90-F160 AromaticContact CD2-CE2 3.87Å; F90-F160 HydrophobicContact CD2-CE2 3.87Å; F90-F160 AromaticContact CD2-CG 3.53Å; F90-F160 HydrophobicContact CD2-CG 3.53Å; F90-F160 HydrophobicContact CD2-CZ 4.34Å; F90-F160 HydrophobicContact CE1-CB 4.21Å; F90-F160 AromaticContact CE1-CD1 3.85Å; F90-F160 HydrophobicContact CE1-CD1 3.85Å; F90-F160 HydrophobicContact CE1-CE1 4.49Å; F90-F160 HydrophobicContact CE1-CG 4.06Å; F90-F160 HydrophobicContact CE2-CB 3.47Å; F90-F160 VanDerWaalsContact CE2-CB 3.47Å; F90-F160 HydrophobicContact CE2-CD1 4.19Å; F90-F160 AromaticContact CE2-CD2 3.84Å; F90-F160 HydrophobicContact CE2-CD2 3.84Å; F90-F160 AromaticContact CE2-CG 3.55Å; F90-F160 HydrophobicContact CE2-CG 3.55Å; F90-F160 AromaticContact CG-CD1 3.77Å; F90-F160 HydrophobicContact CG-CD1 3.77Å; F90-F160 AromaticContact CG-CD2 3.82Å; F90-F160 HydrophobicContact CG-CD2 3.82Å; F90-F160 AromaticContact CG-CE1 3.83Å; F90-F160 HydrophobicContact CG-CE1 3.83Å; F90-F160 AromaticContact CG-CE2 3.87Å; F90-F160 HydrophobicContact CG-CE2 3.87Å; F90-F160 AromaticContact CG-CG 3.77Å; F90-F160 HydrophobicContact CG-CG 3.77Å; F90-F160 AromaticContact CG-CZ 3.88Å; F90-F160 HydrophobicContact CG-CZ 3.88Å; F90-F160 HydrophobicContact CZ-CB 3.57Å; F90-F160 HydrophobicContact CZ-CD1 4.08Å; F90-F160 AromaticContact CZ-CG 3.81Å; F90-F160 HydrophobicContact CZ-CG 3.81Å; T156-F160 WeakPolarHBondContact O-CB 3.44Å; T156-F160 PolarHBondContact O-N 2.82Å; T157-F160 PolarHBondContact O-N 2.97Å; Q158-F160 VanDerWaalsContact C-N 3.33Å; Q158-F160 PolarHBondContact O-N 2.96Å; F160-F164 HydrophobicContact CD1-CE2 4.43Å; F160-F164 HydrophobicContact CD2-CE2 4.27Å; F160-F164 AromaticContact CE1-CE2 3.86Å; F160-F164 HydrophobicContact CE1-CE2 3.86Å; F160-F164 AromaticContact CE2-CE2 3.68Å; F160-F164 HydrophobicContact CE2-CE2 3.68Å; F160-F164 HydrophobicContact CE2-CZ 4.23Å; F160-F164 HydrophobicContact CZ-CD2 4.47Å; F160-F164 AromaticContact CZ-CE2 3.44Å; F160-F164 HydrophobicContact CZ-CE2 3.44Å; F160-F164 VanDerWaalsContact CZ-CE2 3.44Å; F160-F164 AromaticContact CZ-CZ 3.85Å; F160-F164 HydrophobicContact CZ-CZ 3.85Å; F160-F164 VanDerWaalsContact O-CD2 3.26Å; F160-F164 WeakPolarHBondContact O-CD2 3.3Å
161	L	98.9	Very high	97.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-82.1	-18.7	-177.7	-64.7	168.4	0	0	0	113.2	F87 I142 L145 H146 T157 Q158 D159 D163 F164 L165	F87-L161 HydrophobicContact CE1-CD2 3.53Å; F87-L161 HydrophobicContact CZ-CD2 3.74Å; I142-L161 HydrophobicContact CG2-CB 4.31Å; I142-L161 HydrophobicContact CG2-CD2 4.28Å; L145-L161 HydrophobicContact CB-CD1 4.24Å; L145-L161 HydrophobicContact CD2-CD1 4.11Å; L145-L161 HydrophobicContact CD2-CD2 4.09Å; L145-L161 HydrophobicContact CG-CD1 3.82Å; H146-L161 HydrophobicContact CB-CD1 3.99Å; T157-L161 HydrophobicContact CG2-CD1 3.87Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CD1 3.44Å; T157-L161 WeakPolarHBondContact O-CG 3.42Å; T157-L161 PolarHBondContact O-N 3.46Å; T157-L161 VanDerWaalsContact O-N 3.16Å; Q158-L161 PolarHBondContact O-N 3.29Å; D159-L161 VanDerWaalsContact C-N 3.27Å; D159-L161 PolarHBondContact O-N 3.19Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 3.05Å; L161-F164 PolarHBondContact O-N 3.22Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.91Å
162	D	98.7	Very high	97.9	Very high	73 Å²	73	56.6 Å²	56.6	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-39.1	-177	-80.9	-22.5	0	0	0	112.5	H146 Q158 D159 L165 Q166	H146-D162 IonicContact CD2-OD1 2.8Å; H146-D162 IonicContact NE2-OD1 3.19Å; H146-D162 PolarHBondContact NE2-OD1 2.98Å; Q158-D162 PolarHBondContact O-N 3.43Å; Q158-D162 VanDerWaalsContact O-N 3.13Å; D159-D162 PolarHBondContact O-N 3.38Å; D162-L165 PolarHBondContact O-N 3.42Å; D162-Q166 PolarHBondContact O-N 3.16Å
163	D	97.8	Very high	98.1	Very high	118 Å²	118	57.4 Å²	57.4	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-62	-46.6	175.6	-77.7	-15.5	0	0	0	111	L161 L165 Q166 E167	L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 3.05Å; D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 3.19Å; D163-Q166 PolarHBondContact O-N 2.93Å; D163-Q166 VanDerWaalsContact O-N 3.15Å; D163-E167 WeakPolarHBondContact O-CG 3.34Å; D163-E167 PolarHBondContact O-N 3.37Å
164	F	98.7	Very high	98.3	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-37.7	177.4	-65.2	-90.3	0	0	0	111.8	H83 K86 F87 I142 F160 L161 Q166 E167 Q168	H83-F164 HydrophobicContact CB-CE1 4.14Å; H83-F164 AromaticContact CD2-CE1 3.83Å; K86-F164 HydrophobicContact CB-CZ 3.95Å; K86-F164 HydrophobicContact CD-CE1 4.2Å; K86-F164 HydrophobicContact CD-CZ 3.84Å; F87-F164 HydrophobicContact CD2-CE1 4.05Å; F87-F164 HydrophobicContact CD2-CZ 4.05Å; F87-F164 AromaticContact CE2-CD1 3.73Å; F87-F164 HydrophobicContact CE2-CD1 3.73Å; F87-F164 HydrophobicContact CE2-CD2 4.29Å; F87-F164 AromaticContact CE2-CE1 3.51Å; F87-F164 HydrophobicContact CE2-CE1 3.51Å; F87-F164 HydrophobicContact CE2-CE2 4.13Å; F87-F164 HydrophobicContact CE2-CG 4.1Å; F87-F164 AromaticContact CE2-CZ 3.72Å; F87-F164 HydrophobicContact CE2-CZ 3.72Å; F87-F164 HydrophobicContact CZ-CD1 4.3Å; F87-F164 HydrophobicContact CZ-CD2 4.25Å; F87-F164 HydrophobicContact CZ-CE1 4.37Å; F87-F164 HydrophobicContact CZ-CE2 4.34Å; F87-F164 HydrophobicContact CZ-CG 4.23Å; F87-F164 HydrophobicContact CZ-CZ 4.38Å; I142-F164 HydrophobicContact CD1-CB 4.05Å; F160-F164 HydrophobicContact CD1-CE2 4.43Å; F160-F164 HydrophobicContact CD2-CE2 4.27Å; F160-F164 AromaticContact CE1-CE2 3.86Å; F160-F164 HydrophobicContact CE1-CE2 3.86Å; F160-F164 AromaticContact CE2-CE2 3.68Å; F160-F164 HydrophobicContact CE2-CE2 3.68Å; F160-F164 HydrophobicContact CE2-CZ 4.23Å; F160-F164 HydrophobicContact CZ-CD2 4.47Å; F160-F164 AromaticContact CZ-CE2 3.44Å; F160-F164 HydrophobicContact CZ-CE2 3.44Å; F160-F164 VanDerWaalsContact CZ-CE2 3.44Å; F160-F164 AromaticContact CZ-CZ 3.85Å; F160-F164 HydrophobicContact CZ-CZ 3.85Å; F160-F164 VanDerWaalsContact O-CD2 3.26Å; F160-F164 WeakPolarHBondContact O-CD2 3.3Å; L161-F164 PolarHBondContact O-N 3.22Å; F164-Q166 PolarHBondContact O-N 2.92Å; F164-E167 PolarHBondContact O-N 2.85Å; F164-Q168 WeakPolarHBondContact O-CB 3.48Å; F164-Q168 VanDerWaalsContact O-CG 3.28Å; F164-Q168 WeakPolarHBondContact O-CG 3.45Å; F164-Q168 PolarHBondContact O-N 2.85Å
165	L	98.6	Very high	98.4	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-37.9	175.4	-75.7	171.5	0	0	0	112	I142 N143 H146 L161 D162 D163 V169	I142-L165 HydrophobicContact CB-CD2 4.32Å; I142-L165 HydrophobicContact CG2-CD2 3.57Å; I142-L165 HydrophobicContact CG2-CG 3.74Å; N143-L165 WeakPolarHBondContact ND2-CD2 3.45Å; H146-L165 HydrophobicContact CB-CD1 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.91Å; D162-L165 PolarHBondContact O-N 3.42Å; D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 3.19Å; L165-V169 WeakPolarHBondContact O-CG2 3.26Å; L165-V169 PolarHBondContact O-N 3.33Å
166	Q	98.3	Very high	98.5	Very high	123 Å²	123	58.7 Å²	58.7	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-75.4	-39.9	176.5	-63.1	-61.8	-4	0	0	112.6	D162 D163 F164 Q168 V169 N170	D162-Q166 PolarHBondContact O-N 3.16Å; D163-Q166 PolarHBondContact O-N 2.93Å; D163-Q166 VanDerWaalsContact O-N 3.15Å; F164-Q166 PolarHBondContact O-N 2.92Å; Q166-Q168 VanDerWaalsContact C-N 3.32Å; Q166-Q168 PolarHBondContact O-N 3.46Å; Q166-V169 PolarHBondContact O-N 2.58Å; Q166-N170 PolarHBondContact O-N 3.19Å; Q166-N170 PolarHBondContact O-ND2 3.26Å
167	E	98.3	Very high	98.5	Very high	59 Å²	59	60.7 Å²	60.7	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-47.3	173	-71.6	177.6	174.8	0	0	110.5	H83 D163 F164 V169 N170 S171	H83-E167 IonicContact CE1-OE2 3.7Å; H83-E167 IonicContact NE2-OE2 3.79Å; H83-E167 PolarHBondContact NE2-OE2 3.45Å; D163-E167 WeakPolarHBondContact O-CG 3.34Å; D163-E167 PolarHBondContact O-N 3.37Å; F164-E167 PolarHBondContact O-N 2.85Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 3.19Å; E167-N170 WeakPolarHBondContact O-CB 3.41Å; E167-N170 PolarHBondContact O-N 2.98Å; E167-S171 PolarHBondContact O-N 3.45Å; E167-S171 PolarHBondContact O-OG 3.49Å
168	Q	98.1	Very high	98.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-40.7	176.9	-73.5	-42.8	112.6	0	0	113.6	E135 T139 I142 F164 Q166 N170 S171 V172	E135-Q168 PolarHBondContact O-NE2 3.3Å; E135-Q168 PolarHBondContact OE2-NE2 2.76Å; T139-Q168 HydrophobicContact CG2-CB 4.08Å; T139-Q168 HydrophobicContact CG2-CG 4.47Å; T139-Q168 WeakPolarHBondContact OG1-CB 3.26Å; T139-Q168 PolarHBondContact OG1-NE2 3.09Å; T139-Q168 VanDerWaalsContact OG1-NE2 3.17Å; I142-Q168 HydrophobicContact CD1-CG 3.81Å; F164-Q168 WeakPolarHBondContact O-CB 3.48Å; F164-Q168 VanDerWaalsContact O-CG 3.28Å; F164-Q168 WeakPolarHBondContact O-CG 3.45Å; F164-Q168 PolarHBondContact O-N 2.85Å; Q166-Q168 VanDerWaalsContact C-N 3.32Å; Q166-Q168 PolarHBondContact O-N 3.46Å; Q168-N170 VanDerWaalsContact C-N 3.31Å; Q168-N170 PolarHBondContact O-N 2.97Å; Q168-S171 PolarHBondContact O-N 3.44Å; Q168-V172 WeakPolarHBondContact O-CB 3.49Å; Q168-V172 VanDerWaalsContact O-CG2 3.29Å; Q168-V172 WeakPolarHBondContact O-CG2 3.37Å; Q168-V172 PolarHBondContact O-N 3.45Å
169	V	98.6	Very high	98.5	Very high	86 Å²	86	64.1 Å²	64.1	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-43.8	176.1	169.9	0	0	0	0	110.5	L165 Q166 E167 S173	L165-V169 WeakPolarHBondContact O-CG2 3.26Å; L165-V169 PolarHBondContact O-N 3.33Å; Q166-V169 PolarHBondContact O-N 2.58Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 3.19Å; V169-S173 VanDerWaalsContact O-CB 3.23Å; V169-S173 WeakPolarHBondContact O-CB 3.44Å; V169-S173 PolarHBondContact O-N 2.82Å
170	N	98.5	Very high	98.5	Very high	108 Å²	108	61.5 Å²	61.5	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-67.7	-45.6	179.4	-67	-35.4	0	0	0	111.8	Q166 E167 Q168 S173 K174	Q166-N170 PolarHBondContact O-N 3.19Å; Q166-N170 PolarHBondContact O-ND2 3.26Å; E167-N170 WeakPolarHBondContact O-CB 3.41Å; E167-N170 PolarHBondContact O-N 2.98Å; Q168-N170 VanDerWaalsContact C-N 3.31Å; Q168-N170 PolarHBondContact O-N 2.97Å; N170-S173 PolarHBondContact O-N 3.16Å; N170-K174 WeakPolarHBondContact O-CB 3.49Å; N170-K174 PolarHBondContact O-N 2.75Å
171	S	98.2	Very high	98.5	Very high	24 Å²	24	63.2 Å²	63.2	17%	0.168	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-49.4	178.8	-65	0	0	0	0	111.9	E167 Q168 S173 K174 L175	E167-S171 PolarHBondContact O-N 3.45Å; E167-S171 PolarHBondContact O-OG 3.49Å; Q168-S171 PolarHBondContact O-N 3.44Å; S171-S173 VanDerWaalsContact C-N 3.34Å; S171-S173 PolarHBondContact O-N 3.36Å; S171-K174 PolarHBondContact O-N 3.13Å; S171-L175 WeakPolarHBondContact O-CG 3.44Å; S171-L175 PolarHBondContact O-N 3.01Å
172	V	98.5	Very high	98.4	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-40.2	177.3	173.8	0	0	0	0	111.5	E135 L136 Q168 L175 R176	E135-V172 HydrophobicContact CB-CG2 3.6Å; L136-V172 HydrophobicContact CD2-CG1 4.06Å; L136-V172 HydrophobicContact CD2-CG2 4.23Å; Q168-V172 WeakPolarHBondContact O-CB 3.49Å; Q168-V172 VanDerWaalsContact O-CG2 3.29Å; Q168-V172 WeakPolarHBondContact O-CG2 3.37Å; Q168-V172 PolarHBondContact O-N 3.45Å; V172-L175 PolarHBondContact O-N 3.34Å; V172-R176 HydrophobicContact CG1-CG 4.38Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 VanDerWaalsContact O-CG 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.26Å; V172-R176 PolarHBondContact O-N 3.26Å
173	S	98.7	Very high	98.3	Very high	70 Å²	70	65.2 Å²	65.2	49%	0.49	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-47.2	177.9	-169.1	0	0	0	0	111.4	V169 N170 S171 L175 R176 E177	V169-S173 VanDerWaalsContact O-CB 3.23Å; V169-S173 WeakPolarHBondContact O-CB 3.44Å; V169-S173 PolarHBondContact O-N 2.82Å; N170-S173 PolarHBondContact O-N 3.16Å; S171-S173 VanDerWaalsContact C-N 3.34Å; S171-S173 PolarHBondContact O-N 3.36Å; S173-L175 PolarHBondContact O-N 2.96Å; S173-R176 PolarHBondContact O-N 3.19Å; S173-E177 PolarHBondContact O-N 3.34Å
174	K	98.7	Very high	98.3	Very high	110 Å²	110	65.7 Å²	65.7	48%	0.478	33%	0.327	S	S	.	.	H	α-helix	trans	-59.3	-46.2	177.5	-175.1	179.9	-178.1	177.5	0	111.7	F72 N170 S171 E177 M178	F72-K174 HydrophobicContact CE2-CD 4.45Å; N170-K174 WeakPolarHBondContact O-CB 3.49Å; N170-K174 PolarHBondContact O-N 2.75Å; S171-K174 PolarHBondContact O-N 3.13Å; K174-E177 WeakPolarHBondContact O-CB 3.49Å; K174-E177 PolarHBondContact O-N 2.53Å; K174-M178 HydrophobicContact CD-CE 4.2Å; K174-M178 HydrophobicContact CG-CE 3.83Å; K174-M178 WeakPolarHBondContact O-CG 3.44Å; K174-M178 PolarHBondContact O-N 3.19Å
175	L	98.7	Very high	98.1	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-38.2	177.7	-69.8	172.6	0	0	0	112.5	F72 I128 A131 I132 E135 S171 V172 S173 E177 M178 R179	F72-L175 HydrophobicContact CE1-CD2 4.3Å; F72-L175 HydrophobicContact CZ-CD2 4.49Å; I128-L175 HydrophobicContact CD1-CD2 4.46Å; A131-L175 HydrophobicContact CB-CD1 3.92Å; A131-L175 HydrophobicContact CB-CD2 4.13Å; I132-L175 HydrophobicContact CD1-CB 4.23Å; I132-L175 HydrophobicContact CG1-CB 3.55Å; I132-L175 HydrophobicContact CG1-CD1 4.25Å; E135-L175 HydrophobicContact CB-CD1 4.41Å; E135-L175 HydrophobicContact CG-CD1 3.48Å; E135-L175 VanDerWaalsContact CG-CD1 3.48Å; S171-L175 WeakPolarHBondContact O-CG 3.44Å; S171-L175 PolarHBondContact O-N 3.01Å; V172-L175 PolarHBondContact O-N 3.34Å; S173-L175 PolarHBondContact O-N 2.96Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-M178 HydrophobicContact CD2-SD 4.24Å; L175-M178 WeakPolarHBondContact O-CB 3.48Å; L175-M178 PolarHBondContact O-N 2.8Å; L175-R179 WeakPolarHBondContact O-CB 3.36Å; L175-R179 PolarHBondContact O-N 3.18Å
176	R	98.7	Very high	97.6	Very high	137 Å²	137	76.1 Å²	76.1	52%	0.517	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-36.9	174.6	-76.2	174.7	176.5	164.5	0.9	112.3	I132 V172 S173 R179 A180	I132-R176 HydrophobicContact CD1-CG 4.31Å; V172-R176 HydrophobicContact CG1-CG 4.38Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 VanDerWaalsContact O-CG 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.26Å; V172-R176 PolarHBondContact O-N 3.26Å; S173-R176 PolarHBondContact O-N 3.19Å; R176-R179 WeakPolarHBondContact O-CB 3.44Å; R176-R179 PolarHBondContact O-N 3.16Å; R176-A180 PolarHBondContact O-N 3.09Å
177	E	98.6	Very high	97.6	Very high	117 Å²	117	72.7 Å²	72.7	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-49.3	172.5	-171.7	-170.9	146	0	0	110.8	S173 K174 L175 R179 A180 R181	S173-E177 PolarHBondContact O-N 3.34Å; K174-E177 WeakPolarHBondContact O-CB 3.49Å; K174-E177 PolarHBondContact O-N 2.53Å; L175-E177 VanDerWaalsContact C-N 3.34Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.89Å; E177-A180 PolarHBondContact O-N 2.56Å; E177-A180 VanDerWaalsContact O-N 3.11Å; E177-R181 HydrophobicContact CG-CG 4.42Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 2.78Å
178	M	98.5	Very high	97.5	Very high	8 Å²	8	70.4 Å²	70.4	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-54.4	-47.6	174.5	-70.7	-178.3	-169.5	0	0	111.2	F72 I128 K174 L175 A180 R181 L182 M192 F196	F72-M178 HydrophobicContact CD1-CE 4.27Å; F72-M178 HydrophobicContact CD2-CE 4.02Å; F72-M178 HydrophobicContact CE1-CE 3.73Å; F72-M178 HydrophobicContact CE1-SD 3.99Å; F72-M178 HydrophobicContact CE2-CE 3.46Å; F72-M178 VanDerWaalsContact CE2-CE 3.46Å; F72-M178 HydrophobicContact CG-CE 4.41Å; F72-M178 HydrophobicContact CZ-CE 3.29Å; F72-M178 HydrophobicContact CZ-SD 4.1Å; I128-M178 HydrophobicContact CD1-CB 4.37Å; I128-M178 HydrophobicContact CD1-SD 4.18Å; K174-M178 HydrophobicContact CD-CE 4.2Å; K174-M178 HydrophobicContact CG-CE 3.83Å; K174-M178 WeakPolarHBondContact O-CG 3.44Å; K174-M178 PolarHBondContact O-N 3.19Å; L175-M178 HydrophobicContact CD2-SD 4.24Å; L175-M178 WeakPolarHBondContact O-CB 3.48Å; L175-M178 PolarHBondContact O-N 2.8Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 2.88Å; M178-R181 PolarHBondContact O-N 3.01Å; M178-L182 WeakPolarHBondContact O-CG 3.14Å; M178-L182 PolarHBondContact O-N 2.95Å; M178-M192 HydrophobicContact CB-CE 3.79Å; M178-M192 HydrophobicContact CB-SD 4.23Å; M178-M192 HydrophobicContact CG-CE 4.09Å; M178-M192 HydrophobicContact CG-SD 4.1Å; M178-F196 HydrophobicContact CE-CE1 3.81Å; M178-F196 HydrophobicContact CE-CE2 4.4Å; M178-F196 HydrophobicContact CE-CZ 3.37Å; M178-F196 HydrophobicContact CG-CZ 4.43Å; M178-F196 HydrophobicContact SD-CE2 4.48Å; M178-F196 HydrophobicContact SD-CZ 3.9Å
179	R	98.4	Very high	97.5	Very high	105 Å²	105	72 Å²	72	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-55.8	-48.4	176.3	-170.6	-173.9	-171.2	-91.8	-5.8	111.3	I128 D129 I132 L175 R176 E177 L182 H183	I128-R179 HydrophobicContact CG2-CB 3.73Å; I128-R179 HydrophobicContact CG2-CG 4.25Å; D129-R179 WeakPolarHBondContact OD1-CD 3.3Å; D129-R179 IonicContact OD1-CZ 2.76Å; D129-R179 IonicContact OD1-NE 3.35Å; D129-R179 PolarHBondContact OD1-NE 3.49Å; D129-R179 IonicContact OD1-NH2 3.99Å; D129-R179 IonicContact OD2-NE 3.02Å; D129-R179 IonicContact OD2-NH2 2.82Å; I132-R179 HydrophobicContact CD1-CB 3.97Å; I132-R179 HydrophobicContact CD1-CG 4.33Å; L175-R179 WeakPolarHBondContact O-CB 3.36Å; L175-R179 PolarHBondContact O-N 3.18Å; R176-R179 WeakPolarHBondContact O-CB 3.44Å; R176-R179 PolarHBondContact O-N 3.16Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.89Å; R179-L182 PolarHBondContact O-N 3.2Å; R179-H183 PolarHBondContact O-ND1 3.32Å
180	A	98.5	Very high	97.4	Very high	63 Å²	63	74.8 Å²	74.8	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-43.7	179.1	0	0	0	0	0	111.8	R176 E177 M178 L182 H183	R176-A180 PolarHBondContact O-N 3.09Å; E177-A180 PolarHBondContact O-N 2.56Å; E177-A180 VanDerWaalsContact O-N 3.11Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 2.88Å; A180-L182 PolarHBondContact O-N 2.85Å; A180-H183 PolarHBondContact O-N 3.32Å; A180-H183 VanDerWaalsContact O-N 3.12Å
181	R	98.2	Very high	97.3	Very high	73 Å²	73	73.7 Å²	73.7	28%	0.275	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-39.9	179.6	-71.2	178	65.7	-164.3	-4.2	112.6	E177 M178 H183 L184 A188 M192 E195	E177-R181 HydrophobicContact CG-CG 4.42Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 2.78Å; M178-R181 PolarHBondContact O-N 3.01Å; R181-H183 PolarHBondContact O-N 3.1Å; R181-H183 VanDerWaalsContact O-N 3.13Å; R181-L184 HydrophobicContact CB-CD1 4.33Å; R181-L184 HydrophobicContact CG-CD1 4.36Å; R181-L184 WeakPolarHBondContact O-CB 3.45Å; R181-L184 WeakPolarHBondContact O-CG 3.47Å; R181-L184 PolarHBondContact O-N 3.46Å; R181-A188 VanDerWaalsContact O-CB 3.3Å; R181-A188 WeakPolarHBondContact O-CB 3.35Å; R181-M192 HydrophobicContact CB-SD 4.27Å; R181-E195 IonicContact CZ-OE1 3.82Å; R181-E195 IonicContact CZ-OE2 3.84Å; R181-E195 IonicContact NH1-OE2 2.78Å; R181-E195 PolarHBondContact NH1-OE2 3.3Å; R181-E195 IonicContact NH2-OE1 3.17Å; R181-E195 PolarHBondContact NH2-OE1 3.29Å; R181-E195 IonicContact NH2-OE2 3.61Å; R181-E195 PolarHBondContact NH2-OE2 3.18Å
182	L	97.7	Very high	97.3	Very high	7 Å²	7	72.6 Å²	72.6	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-22	176.3	-74.7	175.1	0	0	0	113.7	F69 I124 I128 M178 R179 A180 V189 M192	F69-L182 HydrophobicContact CZ-CD2 4.15Å; I124-L182 HydrophobicContact CG1-CD1 3.96Å; I124-L182 HydrophobicContact CG1-CD2 4.48Å; I124-L182 HydrophobicContact CG2-CD1 4.24Å; I124-L182 HydrophobicContact CG2-CD2 4.14Å; I128-L182 HydrophobicContact CB-CD1 4.43Å; I128-L182 HydrophobicContact CG1-CD1 3.69Å; M178-L182 WeakPolarHBondContact O-CG 3.14Å; M178-L182 PolarHBondContact O-N 2.95Å; R179-L182 PolarHBondContact O-N 3.2Å; A180-L182 PolarHBondContact O-N 2.85Å; L182-V189 HydrophobicContact CD2-CB 4.43Å; L182-V189 HydrophobicContact CD2-CG2 3.88Å; L182-M192 HydrophobicContact CD1-CE 4.09Å; L182-M192 HydrophobicContact CD2-CE 3.64Å; L182-M192 HydrophobicContact CG-CE 3.56Å
183	H	96.3	Very high	97.3	Very high	109 Å²	109	72.4 Å²	72.4	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.9	178.8	-65.2	85	0	0	0	113.5	H125 R179 A180 R181	H125-H183 AromaticContact ND1-CE1 3.45Å; H125-H183 PolarHBondContact ND1-CE1 3.16Å; H125-H183 AromaticContact ND1-NE2 3.57Å; R179-H183 PolarHBondContact O-ND1 3.32Å; A180-H183 PolarHBondContact O-N 3.32Å; A180-H183 VanDerWaalsContact O-N 3.12Å; R181-H183 PolarHBondContact O-N 3.1Å; R181-H183 VanDerWaalsContact O-N 3.13Å
184	L	96.7	Very high	97.3	Very high	128 Å²	128	74.9 Å²	74.9	67%	0.67	36%	0.362	S	S	*	.	S	Bend	trans	-68.4	-49.5	-179.9	-68.9	173	0	0	0	111.8	R181	R181-L184 HydrophobicContact CB-CD1 4.33Å; R181-L184 HydrophobicContact CG-CD1 4.36Å; R181-L184 WeakPolarHBondContact O-CB 3.45Å; R181-L184 WeakPolarHBondContact O-CG 3.47Å; R181-L184 PolarHBondContact O-N 3.46Å
185	D	94.5	Very high	97.2	Very high	82 Å²	82	74.9 Å²	74.9	44%	0.439	36%	0.364	S	S	.	.			trans	-166.2	170.3	176.8	73.6	91.5	0	0	0	112.1	S187 A188	D185-S187 PolarHBondContact O-N 3.09Å; D185-S187 VanDerWaalsContact O-N 3.17Å; D185-S187 WeakPolarHBondContact OD1-CA 3.49Å; D185-S187 WeakPolarHBondContact OD1-CB 3.44Å; D185-S187 PolarHBondContact OD1-N 2.99Å; D185-S187 PolarHBondContact OD1-OG 3.34Å; D185-A188 WeakPolarHBondContact O-CB 3.4Å; D185-A188 PolarHBondContact O-N 3.44Å
186	N	89.9	Confident	97.1	Very high	171 Å²	171	76.2 Å²	76.2	91%	0.914	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	-176.2	-69.2	-19.8	0	0	0	114.4	A188	N186-A188 VanDerWaalsContact C-N 3.35Å
187	S	96.3	Very high	96.5	Very high	52 Å²	52	77.2 Å²	77.2	36%	0.364	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.4	176.6	77.9	0	0	0	0	113	D185 V189 Y190 L191	D185-S187 PolarHBondContact O-N 3.09Å; D185-S187 VanDerWaalsContact O-N 3.17Å; D185-S187 WeakPolarHBondContact OD1-CA 3.49Å; D185-S187 WeakPolarHBondContact OD1-CB 3.44Å; D185-S187 PolarHBondContact OD1-N 2.99Å; D185-S187 PolarHBondContact OD1-OG 3.34Å; S187-V189 VanDerWaalsContact C-N 3.3Å; S187-V189 PolarHBondContact O-N 2.99Å; S187-Y190 PolarHBondContact O-N 3.17Å; S187-L191 WeakPolarHBondContact O-CG 3.42Å; S187-L191 PolarHBondContact O-N 3.1Å
188	A	97.3	Very high	96.4	Very high	10 Å²	10	75.2 Å²	75.2	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-39.7	-175.7	0	0	0	0	0	112.8	R181 D185 N186 Y190 L191 M192	R181-A188 VanDerWaalsContact O-CB 3.3Å; R181-A188 WeakPolarHBondContact O-CB 3.35Å; D185-A188 WeakPolarHBondContact O-CB 3.4Å; D185-A188 PolarHBondContact O-N 3.44Å; N186-A188 VanDerWaalsContact C-N 3.35Å; A188-Y190 VanDerWaalsContact C-N 3.34Å; A188-Y190 PolarHBondContact O-N 3.01Å; A188-L191 PolarHBondContact O-N 3.1Å; A188-M192 VanDerWaalsContact O-CB 3.31Å; A188-M192 WeakPolarHBondContact O-CB 3.4Å; A188-M192 PolarHBondContact O-N 2.92Å
189	V	97.5	Very high	96.3	Very high	36 Å²	36	78.7 Å²	78.7	22%	0.218	38%	0.382	C	S	.	.	H	α-helix	trans	-56.4	-50	175.6	177.1	0	0	0	0	110.7	L66 I124 L182 S187 D193	L66-V189 HydrophobicContact CD1-CG1 4.27Å; L66-V189 HydrophobicContact CD2-CG1 3.65Å; I124-V189 HydrophobicContact CG2-CG1 3.98Å; I124-V189 HydrophobicContact CG2-CG2 3.88Å; L182-V189 HydrophobicContact CD2-CB 4.43Å; L182-V189 HydrophobicContact CD2-CG2 3.88Å; S187-V189 VanDerWaalsContact C-N 3.3Å; S187-V189 PolarHBondContact O-N 2.99Å; V189-D193 WeakPolarHBondContact O-CB 3.34Å; V189-D193 PolarHBondContact O-N 2.82Å
190	Y	96.5	Very high	96.2	Very high	143 Å²	143	77.3 Å²	77.3	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-68.1	-41.6	-178.5	176.3	-97.1	0	0	0	112.3	S187 A188 K194	S187-Y190 PolarHBondContact O-N 3.17Å; A188-Y190 VanDerWaalsContact C-N 3.34Å; A188-Y190 PolarHBondContact O-N 3.01Å; Y190-K194 WeakPolarHBondContact O-CB 3.49Å; Y190-K194 PolarHBondContact O-N 3.29Å
191	L	97.7	Very high	96.1	Very high	85 Å²	85	78.1 Å²	78.1	45%	0.445	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-45.6	179.1	-70.1	174.2	0	0	0	111.4	S187 A188 K194 E195	S187-L191 WeakPolarHBondContact O-CG 3.42Å; S187-L191 PolarHBondContact O-N 3.1Å; A188-L191 PolarHBondContact O-N 3.1Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.47Å; L191-E195 WeakPolarHBondContact O-CG 3.31Å; L191-E195 PolarHBondContact O-N 3.29Å
192	M	98	Very high	95.9	Very high	2 Å²	2	78.4 Å²	78.4	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-71.1	-36.9	-179.6	-162.3	160.2	74.8	0	0	111.9	F69 M178 R181 L182 A188 K194 E195 F196	F69-M192 HydrophobicContact CE1-CE 3.51Å; F69-M192 HydrophobicContact CE1-CG 4.5Å; F69-M192 HydrophobicContact CE2-CB 4.41Å; F69-M192 HydrophobicContact CZ-CB 3.99Å; F69-M192 HydrophobicContact CZ-CE 3.34Å; F69-M192 HydrophobicContact CZ-CG 4.02Å; M178-M192 HydrophobicContact CB-CE 3.79Å; M178-M192 HydrophobicContact CB-SD 4.23Å; M178-M192 HydrophobicContact CG-CE 4.09Å; M178-M192 HydrophobicContact CG-SD 4.1Å; R181-M192 HydrophobicContact CB-SD 4.27Å; L182-M192 HydrophobicContact CD1-CE 4.09Å; L182-M192 HydrophobicContact CD2-CE 3.64Å; L182-M192 HydrophobicContact CG-CE 3.56Å; A188-M192 VanDerWaalsContact O-CB 3.31Å; A188-M192 WeakPolarHBondContact O-CB 3.4Å; A188-M192 PolarHBondContact O-N 2.92Å; M192-K194 PolarHBondContact O-N 3.39Å; M192-E195 WeakPolarHBondContact O-CB 3.26Å; M192-E195 PolarHBondContact O-N 3.28Å; M192-E195 VanDerWaalsContact O-N 3.12Å; M192-F196 HydrophobicContact CE-CE2 4.48Å; M192-F196 HydrophobicContact CG-CD2 4.34Å; M192-F196 HydrophobicContact CG-CE2 3.6Å; M192-F196 HydrophobicContact CG-CZ 3.99Å; M192-F196 WeakPolarHBondContact O-CD2 3.4Å; M192-F196 PolarHBondContact O-N 3.33Å; M192-F196 HydrophobicContact SD-CE2 4.42Å; M192-F196 HydrophobicContact SD-CZ 4.49Å
193	D	98.5	Very high	95.8	Very high	4 Å²	4	83.2 Å²	83.2	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-57.8	-39.8	169.8	-179.8	76.9	0	0	0	111.7	L66 S67 G68 F69 V189 E195 F196 R197	L66-D193 WeakPolarHBondContact CA-OD1 3.14Å; L66-D193 HydrophobicContact CD2-CB 4.13Å; S67-D193 PolarHBondContact N-OD1 3.03Å; G68-D193 WeakPolarHBondContact CA-O 3.48Å; G68-D193 WeakPolarHBondContact CA-OD1 3.41Å; G68-D193 PolarHBondContact N-OD1 3.45Å; F69-D193 HydrophobicContact CD2-CB 3.76Å; F69-D193 HydrophobicContact CE2-CB 3.83Å; F69-D193 PolarHBondContact N-OD1 3.37Å; V189-D193 WeakPolarHBondContact O-CB 3.34Å; V189-D193 PolarHBondContact O-N 2.82Å; D193-E195 VanDerWaalsContact C-N 3.34Å; D193-F196 PolarHBondContact O-N 3.29Å; D193-R197 IonicContact OD2-CZ 3.67Å; D193-R197 IonicContact OD2-NE 3.3Å; D193-R197 PolarHBondContact OD2-NE 3.21Å; D193-R197 IonicContact OD2-NH2 3.37Å; D193-R197 PolarHBondContact OD2-NH2 3.01Å
194	K	98	Very high	95.8	Very high	122 Å²	122	81.4 Å²	81.4	53%	0.53	40%	0.395	S	S	.	.	H	α-helix	trans	-67.7	-33	177.1	-170.4	-179.7	176.5	-175.4	0	112.7	Y190 L191 M192 F196	Y190-K194 WeakPolarHBondContact O-CB 3.49Å; Y190-K194 PolarHBondContact O-N 3.29Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.47Å; M192-K194 PolarHBondContact O-N 3.39Å; K194-F196 VanDerWaalsContact C-N 3.32Å
195	E	96.9	Very high	95.7	Very high	110 Å²	110	77.8 Å²	77.8	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-66.4	-31.4	176.8	-73.4	171.3	-164.4	0	0	113	R181 L191 M192 D193	R181-E195 IonicContact CZ-OE1 3.82Å; R181-E195 IonicContact CZ-OE2 3.84Å; R181-E195 IonicContact NH1-OE2 2.78Å; R181-E195 PolarHBondContact NH1-OE2 3.3Å; R181-E195 IonicContact NH2-OE1 3.17Å; R181-E195 PolarHBondContact NH2-OE1 3.29Å; R181-E195 IonicContact NH2-OE2 3.61Å; R181-E195 PolarHBondContact NH2-OE2 3.18Å; L191-E195 WeakPolarHBondContact O-CG 3.31Å; L191-E195 PolarHBondContact O-N 3.29Å; M192-E195 WeakPolarHBondContact O-CB 3.26Å; M192-E195 PolarHBondContact O-N 3.28Å; M192-E195 VanDerWaalsContact O-N 3.12Å; D193-E195 VanDerWaalsContact C-N 3.34Å
196	F	96.1	Very high	95.8	Very high	37 Å²	37	77.4 Å²	77.4	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-83.3	-14.4	-179.4	-65.3	-50.7	0	0	0	114.6	G68 F69 K71 F72 M178 M192 D193 K194	G68-F196 WeakPolarHBondContact O-CB 3.37Å; F69-F196 AromaticContact CD1-CD2 3.93Å; F69-F196 HydrophobicContact CD1-CD2 3.93Å; F69-F196 AromaticContact CD1-CE2 3.72Å; F69-F196 HydrophobicContact CD1-CE2 3.72Å; F69-F196 HydrophobicContact CE1-CD2 4.11Å; F69-F196 AromaticContact CE1-CE2 3.55Å; F69-F196 HydrophobicContact CE1-CE2 3.55Å; F69-F196 HydrophobicContact CG-CD2 4.19Å; F69-F196 HydrophobicContact CG-CE2 4.41Å; F69-F196 HydrophobicContact CZ-CD2 4.47Å; F69-F196 HydrophobicContact CZ-CE2 4.08Å; K71-F196 WeakPolarHBondContact CD-O 3.19Å; K71-F196 PolarHBondContact NZ-O 3.04Å; F72-F196 HydrophobicContact CB-CB 4.34Å; F72-F196 HydrophobicContact CB-CD1 4.01Å; F72-F196 HydrophobicContact CB-CD2 4.22Å; F72-F196 HydrophobicContact CB-CE1 4.4Å; F72-F196 HydrophobicContact CB-CG 3.95Å; F72-F196 HydrophobicContact CD2-CD1 4.14Å; F72-F196 AromaticContact CD2-CE1 3.9Å; F72-F196 HydrophobicContact CD2-CE1 3.9Å; F72-F196 HydrophobicContact CD2-CZ 4.39Å; F72-F196 HydrophobicContact CG-CD1 4.27Å; F72-F196 HydrophobicContact CG-CE1 4.18Å; F72-F196 HydrophobicContact CG-CZ 4.35Å; M178-F196 HydrophobicContact CE-CE1 3.81Å; M178-F196 HydrophobicContact CE-CE2 4.4Å; M178-F196 HydrophobicContact CE-CZ 3.37Å; M178-F196 HydrophobicContact CG-CZ 4.43Å; M178-F196 HydrophobicContact SD-CE2 4.48Å; M178-F196 HydrophobicContact SD-CZ 3.9Å; M192-F196 HydrophobicContact CE-CE2 4.48Å; M192-F196 HydrophobicContact CG-CD2 4.34Å; M192-F196 HydrophobicContact CG-CE2 3.6Å; M192-F196 HydrophobicContact CG-CZ 3.99Å; M192-F196 WeakPolarHBondContact O-CD2 3.4Å; M192-F196 PolarHBondContact O-N 3.33Å; M192-F196 HydrophobicContact SD-CE2 4.42Å; M192-F196 HydrophobicContact SD-CZ 4.49Å; D193-F196 PolarHBondContact O-N 3.29Å; K194-F196 VanDerWaalsContact C-N 3.32Å
197	R	86.9	Confident	96.3	Very high	157 Å²	157	68.9 Å²	68.9	59%	0.592	32%	0.318	S	S	*	.			trans	-73.7	0	178.5	-80.1	-174.4	-88.8	164.4	-6.5	112	K71 D193	K71-R197 PolarHBondContact NZ-O 3.45Å; D193-R197 IonicContact OD2-CZ 3.67Å; D193-R197 IonicContact OD2-NE 3.3Å; D193-R197 PolarHBondContact OD2-NE 3.21Å; D193-R197 IonicContact OD2-NH2 3.37Å; D193-R197 PolarHBondContact OD2-NH2 3.01Å

Retrieved 197 of 197 residues in 454.6 ms (Link to these results)

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