A0A096N6T5_PAPAN Loading...

5-demethoxyubiquinone hydroxylase, mitochondrial

Catalyzes the hydroxylation of 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2) during ubiquinone biosynthesis. Has also a structural role in the COQ enzyme complex, stabilizing other COQ polypeptides. Involved in lifespan determination in a ubiquinone-independent manner.

AlphaFold DB , UniProt , Accession A0A096N6T5, Species PAPAN (Papio anubis, Olive baboon), Gene COQ7, Length 217 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	40	Very low	39.3	Very low	242 Å²	242	117.2 Å²	117.2	100%	1.192	85%	0.847	S	S	*	*				0	125.6	0	-74.8	164	74.5	0	0	107.7
2	S	39.9	Very low	39.3	Very low	107 Å²	107	122.3 Å²	122.3	75%	0.748	85%	0.854	S	S	*	*			trans	37.2	118.5	161.1	-76.5	0	0	0	0	121
3	C	36.1	Very low	38.9	Very low	127 Å²	127	131 Å²	131	86%	0.858	86%	0.857	S	S	*	*				75.5	138.3	93.9	-60.4	0	0	0	0	111.9
4	A	40.6	Very low	38.9	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	86%	0.862	S	S	*	*			cis	-150.9	157.6	20.4	0	0	0	0	0	107
5	G	34.8	Very low	38.8	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	86%	0.861	S	S	*	*				107.6	103	56.8	0	0	0	0	0	108.8
6	A	40.5	Very low	38.8	Very low	105 Å²	105	146.3 Å²	146.3	87%	0.868	86%	0.862	S	S	*	*			trans	-147.8	113.5	161.9	0	0	0	0	0	108.6
7	A	38.8	Very low	39	Very low	109 Å²	109	144.9 Å²	144.9	90%	0.901	86%	0.858	S	S	*	*			trans	-82.5	138.8	177.1	0	0	0	0	0	110.5
8	A	40.5	Very low	38.8	Very low	98 Å²	98	140.8 Å²	140.8	81%	0.81	85%	0.851	S	S	*	*			trans	-144	116.8	159.6	0	0	0	0	0	108.4
9	A	40.9	Very low	38.7	Very low	96 Å²	96	139 Å²	139	79%	0.793	85%	0.853	S	S	*	*			trans	-70.8	157	163.6	0	0	0	0	0	108.7
10	P	42.9	Very low	38.7	Very low	120 Å²	120	143.8 Å²	143.8	78%	0.779	85%	0.854	S	S	*	*				-155.9	-177.9	79	38.4	-17.1	0	0	0	116.3
11	C	36.9	Very low	38.7	Very low	103 Å²	103	148 Å²	148	70%	0.696	86%	0.856	S	S	*	*			trans	83.7	84.7	150.7	-98.5	0	0	0	0	118.3	W13	C11-W13 PolarHBondContact O-N 3.27Å
12	L	40.2	Very low	38.4	Very low	179 Å²	179	142.2 Å²	142.2	94%	0.937	84%	0.839	S	S	*	*			trans	-47.8	113.8	145.7	-72.1	155.4	0	0	0	110.9
13	W	33.9	Very low	38.3	Very low	235 Å²	235	144.3 Å²	144.3	89%	0.89	84%	0.841	S	S	*	*			trans	-122.4	118.9	156.8	-91.9	77.3	0	0	0	110.2	C11	C11-W13 PolarHBondContact O-N 3.27Å
14	R	38.6	Very low	38.5	Very low	244 Å²	244	143.1 Å²	143.1	92%	0.921	83%	0.834	S	S	*	*			trans	-55.6	147.7	178.7	-83.9	171.1	166.5	-120.2	-0.3	112.8
15	L	37.9	Very low	38.6	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	83%	0.832	S	S	*	*			trans	-62.6	126.7	163.5	-70.7	158	0	0	0	111.6
16	R	38.4	Very low	38.9	Very low	229 Å²	229	149.8 Å²	149.8	86%	0.864	83%	0.834	S	S	*	*			trans	47.5	147.4	137.7	-80.3	-170.5	177.4	-156.3	0.8	120.1
17	P	41.5	Very low	39	Very low	123 Å²	123	148.2 Å²	148.2	80%	0.799	83%	0.829	S	S	*	*			cis	-145.6	154	44.1	36.2	-14.5	0	0	0	118.8
18	G	35.7	Very low	39.1	Very low	71 Å²	71	154.2 Å²	154.2	73%	0.732	83%	0.828	S	S	*	*			trans	49.9	87.3	132.4	0	0	0	0	0	119.2	R20	G18-R20 PolarHBondContact O-N 2.91Å
19	A	37.2	Very low	39.3	Very low	107 Å²	107	161.1 Å²	161.1	88%	0.884	83%	0.833	S	S	*	*			trans	-68.4	97.7	155.6	0	0	0	0	0	109.3	R21	A19-R21 PolarHBondContact O-N 3.01Å
20	R	37.8	Very low	39.3	Very low	234 Å²	234	162 Å²	162	88%	0.883	82%	0.823	S	S	*	*			trans	-76.9	113.4	162.6	-104.2	-177.5	-170	-118.9	1.5	108	G18	G18-R20 PolarHBondContact O-N 2.91Å
21	R	39.4	Very low	39	Very low	234 Å²	234	163.3 Å²	163.3	88%	0.883	82%	0.822	S	S	*	*			trans	-51.7	139.1	168.6	-73.2	176.1	165.6	-168.4	-5.6	110.3	A19 L23	A19-R21 PolarHBondContact O-N 3.01Å; R21-L23 PolarHBondContact O-N 3.4Å
22	S	34.7	Very low	39.1	Very low	120 Å²	120	162.5 Å²	162.5	84%	0.839	81%	0.814	S	S	*	*			trans	-41.5	117.5	168.4	178.7	0	0	0	0	110.8	S24	S22-S24 PolarHBondContact O-N 3.08Å
23	L	37.8	Very low	38.9	Very low	151 Å²	151	164.6 Å²	164.6	79%	0.791	81%	0.809	S	S	*	*			trans	-78.2	117.9	167.4	-78.8	165.1	0	0	0	107.4	R21 A25	R21-L23 PolarHBondContact O-N 3.4Å; L23-A25 PolarHBondContact O-N 3.12Å
24	S	39.7	Very low	39.3	Very low	101 Å²	101	158 Å²	158	71%	0.706	79%	0.787	S	S	*	*			trans	-43.5	115.8	170.1	-178.9	0	0	0	0	110.9	S22 Y26	S22-S24 PolarHBondContact O-N 3.08Å; S24-Y26 VanDerWaalsContact C-N 3.27Å; S24-Y26 PolarHBondContact O-N 3.31Å
25	A	41.8	Very low	39.4	Very low	96 Å²	96	156.6 Å²	156.6	79%	0.793	78%	0.781	S	S	*	*			trans	-86	67.6	173.1	0	0	0	0	0	109.5	L23	L23-A25 PolarHBondContact O-N 3.12Å
26	Y	42.6	Very low	39.6	Very low	226 Å²	226	154.9 Å²	154.9	89%	0.886	78%	0.783	S	S	*	*			trans	-125.1	95.5	168.3	-100.1	-90.3	0	0	0	109.1	S24	S24-Y26 VanDerWaalsContact C-N 3.27Å; S24-Y26 PolarHBondContact O-N 3.31Å
27	G	41.5	Very low	39.9	Very low	73 Å²	73	148.2 Å²	148.2	75%	0.753	77%	0.772	S	S	*	*			trans	173.2	44.5	-175.1	0	0	0	0	0	110.5	R29	G27-R29 VanDerWaalsContact C-N 3.29Å; G27-R29 PolarHBondContact O-N 3.49Å
28	R	40.9	Very low	40	Very low	234 Å²	234	144.9 Å²	144.9	88%	0.883	76%	0.76	S	S	*	*			trans	-73.1	91	166.3	-102.7	-174.6	-83.2	-117.9	-0.2	107	I30	R28-I30 PolarHBondContact O-N 3.26Å
29	R	44.6	Very low	40.7	Very low	243 Å²	243	144 Å²	144	92%	0.917	74%	0.737	S	S	*	*			trans	-58.2	105.1	157	-95.8	-176.5	-167.4	-172.4	3.7	106.8	G27 I31	G27-R29 VanDerWaalsContact C-N 3.29Å; G27-R29 PolarHBondContact O-N 3.49Å; R29-I31 PolarHBondContact O-N 3.38Å
30	I	41.7	Very low	41.3	Very low	115 Å²	115	143 Å²	143	59%	0.59	72%	0.721	S	S	*	*			trans	-77.9	104.6	173.3	-60	-179.2	0	0	0	106.8	R28 V32	R28-I30 PolarHBondContact O-N 3.26Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 HydrophobicContact CG2-CB 4.49Å; I30-V32 HydrophobicContact CG2-CG2 3.55Å; I30-V32 PolarHBondContact O-N 3.43Å
31	I	36.1	Very low	42.2	Very low	148 Å²	148	135 Å²	135	76%	0.759	70%	0.695	S	S	*	*			trans	-73.4	98.4	152.7	-61.4	174.5	0	0	0	104.4	R29 R33	R29-I31 PolarHBondContact O-N 3.38Å; I31-R33 PolarHBondContact O-N 2.99Å
32	V	38.8	Very low	43.2	Very low	85 Å²	85	130.9 Å²	130.9	52%	0.515	69%	0.69	S	S	.	*			trans	-67.7	91.2	164.4	-177.9	0	0	0	0	104.8	I30 F34	I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 HydrophobicContact CG2-CB 4.49Å; I30-V32 HydrophobicContact CG2-CG2 3.55Å; I30-V32 PolarHBondContact O-N 3.43Å; V32-F34 VanDerWaalsContact C-N 3.31Å; V32-F34 PolarHBondContact O-N 2.8Å
33	R	37.1	Very low	44.9	Very low	224 Å²	224	130.9 Å²	130.9	85%	0.845	68%	0.681	S	S	*	*			trans	-67.7	101.4	169.2	-148.8	176.3	-171.8	177.1	1.2	103.6	I31 R35	I31-R33 PolarHBondContact O-N 2.99Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 2.84Å
34	F	40.5	Very low	46.9	Very low	97 Å²	97	124.5 Å²	124.5	43%	0.425	65%	0.647	S	S	.	*			trans	-46.7	104.7	163.2	-95	-87.4	0	0	0	105.1	V32 S36 M39 T103 E166	V32-F34 VanDerWaalsContact C-N 3.31Å; V32-F34 PolarHBondContact O-N 2.8Å; F34-S36 PolarHBondContact O-N 2.83Å; F34-M39 HydrophobicContact CE1-CE 4.11Å; F34-T103 HydrophobicContact CZ-CG2 4.4Å; F34-E166 VanDerWaalsContact CE1-OE2 3.28Å; F34-E166 WeakPolarHBondContact CE1-OE2 3.34Å
35	R	42.1	Very low	49.3	Very low	213 Å²	213	122.7 Å²	122.7	80%	0.804	63%	0.63	S	S	*	*			trans	-60.1	128.9	162.5	-94.1	-173.7	170.4	-160.3	-1.3	102.7	R33 S37	R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 2.84Å; R35-S37 PolarHBondContact O-N 2.78Å
36	S	41.4	Very low	51.6	Low	128 Å²	128	125.3 Å²	125.3	90%	0.895	62%	0.619	S	S	*	*	S	Bend	trans	-65.7	53.8	165.4	174.1	0	0	0	0	109.6	F34	F34-S36 PolarHBondContact O-N 2.83Å
37	S	45.3	Very low	53.9	Low	89 Å²	89	117 Å²	117	62%	0.622	60%	0.597	S	S	*	*			trans	-92	96.8	147.2	-178.2	0	0	0	0	102.2	R35 M39	R35-S37 PolarHBondContact O-N 2.78Å; S37-M39 PolarHBondContact O-N 3.38Å
38	G	43.4	Very low	56.4	Low	54 Å²	54	113.7 Å²	113.7	56%	0.557	56%	0.562	S	S	*	*			trans	-49.6	120.4	176	0	0	0	0	0	107.5	T40	G38-T40 PolarHBondContact O-N 3.36Å
39	M	49.5	Very low	58.9	Low	52 Å²	52	102.6 Å²	102.6	26%	0.256	52%	0.521	S	S	.	.			trans	-47.5	105.4	142.6	-98.2	-176.5	-77.1	0	0	104.3	F34 S37 L41 I44 F104 E166	F34-M39 HydrophobicContact CE1-CE 4.11Å; S37-M39 PolarHBondContact O-N 3.38Å; M39-L41 PolarHBondContact O-N 2.89Å; M39-I44 HydrophobicContact CB-CD1 4.12Å; M39-I44 HydrophobicContact CG-CD1 3.76Å; M39-I44 HydrophobicContact SD-CD1 3.53Å; M39-I44 VanDerWaalsContact SD-CD1 3.53Å; M39-F104 HydrophobicContact CE-CE1 4.04Å; M39-F104 HydrophobicContact CE-CE2 4.02Å; M39-F104 HydrophobicContact CE-CZ 3.37Å; M39-F104 HydrophobicContact SD-CE1 3.49Å; M39-F104 WeakPolarHBondContact SD-CE1 3.25Å; M39-F104 HydrophobicContact SD-CE2 4.42Å; M39-F104 HydrophobicContact SD-CZ 3.27Å; M39-F104 WeakPolarHBondContact SD-CZ 3.43Å; M39-E166 WeakPolarHBondContact CE-OE2 3.44Å
40	T	51	Low	61.3	Low	86 Å²	86	93.2 Å²	93.2	53%	0.528	49%	0.489	S	S	.	.			trans	-66.9	87.6	164.7	47.6	0	0	0	0	103.8	G38 D42 N43	G38-T40 PolarHBondContact O-N 3.36Å; T40-D42 PolarHBondContact O-N 3.17Å; T40-N43 PolarHBondContact O-N 2.67Å
41	L	56.6	Low	63.8	Low	66 Å²	66	92.5 Å²	92.5	35%	0.346	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-48.6	-22.2	174.9	-72.7	170.7	0	0	0	110.7	M39 N43 I44 F104	M39-L41 PolarHBondContact O-N 2.89Å; L41-N43 PolarHBondContact O-N 3.46Å; L41-I44 HydrophobicContact CD2-CD1 4.46Å; L41-I44 PolarHBondContact O-N 3.22Å; L41-F104 HydrophobicContact CD2-CD1 3.79Å; L41-F104 HydrophobicContact CD2-CE1 3.87Å
42	D	59	Low	66.7	Low	147 Å²	147	85.9 Å²	85.9	79%	0.786	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-56.6	-26.5	176.2	-57.3	-22.4	0	0	0	114.2	T40	T40-D42 PolarHBondContact O-N 3.17Å
43	N	70.8	Confident	69.5	Low	120 Å²	120	81.8 Å²	81.8	64%	0.642	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-110.4	-6	-179.4	-73.5	-23.8	0	0	0	114.4	T40 L41 K163	T40-N43 PolarHBondContact O-N 2.67Å; L41-N43 PolarHBondContact O-N 3.46Å; N43-K163 VanDerWaalsContact C-CE 3.5Å; N43-K163 WeakPolarHBondContact O-CE 3.38Å; N43-K163 PolarHBondContact O-NZ 3.31Å
44	I	81.3	Confident	72.4	Confident	17 Å²	17	73.2 Å²	73.2	9%	0.087	39%	0.388	C	S	.	.	S	Bend	trans	-74.8	139.3	-176.2	-75.2	173.1	0	0	0	112.1	M39 L41 R46 V49 F104 K163 Y164	M39-I44 HydrophobicContact CB-CD1 4.12Å; M39-I44 HydrophobicContact CG-CD1 3.76Å; M39-I44 HydrophobicContact SD-CD1 3.53Å; M39-I44 VanDerWaalsContact SD-CD1 3.53Å; L41-I44 HydrophobicContact CD2-CD1 4.46Å; L41-I44 PolarHBondContact O-N 3.22Å; I44-R46 PolarHBondContact O-N 3.2Å; I44-V49 HydrophobicContact CG2-CB 4.15Å; I44-V49 HydrophobicContact CG2-CG2 3.43Å; I44-V49 VanDerWaalsContact CG2-CG2 3.43Å; I44-F104 HydrophobicContact CD1-CE1 4.37Å; I44-K163 VanDerWaalsContact CA-CE 3.45Å; I44-K163 HydrophobicContact CG1-CG 4.33Å; I44-Y164 HydrophobicContact CG1-CE1 4.38Å; I44-Y164 HydrophobicContact CG2-CE1 4.07Å
45	N	89.3	Confident	75.1	Confident	63 Å²	63	68.9 Å²	68.9	34%	0.337	37%	0.369	S	S	.	.			trans	-69.7	84.6	170.4	-172.6	-13.6	0	0	0	109.4	A47 V48 V49 E159 Y164	N45-A47 PolarHBondContact O-N 3.49Å; N45-V48 HydrophobicContact CB-CB 4.18Å; N45-V48 HydrophobicContact CB-CG2 4.35Å; N45-V48 VanDerWaalsContact ND2-CG2 3.27Å; N45-V48 WeakPolarHBondContact ND2-CG2 3.27Å; N45-V48 PolarHBondContact O-N 2.69Å; N45-V48 PolarHBondContact OD1-N 3.35Å; N45-V49 PolarHBondContact O-N 3.02Å; N45-V49 VanDerWaalsContact O-N 3.09Å; N45-E159 PolarHBondContact ND2-OE1 3.06Å; N45-Y164 WeakPolarHBondContact CB-OH 3.21Å; N45-Y164 PolarHBondContact N-OH 2.9Å
46	R	90.2	Very high	77.8	Confident	152 Å²	152	58.9 Å²	58.9	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-55.2	-38.4	-174.8	-72.9	-130.1	-81.7	-127.6	-5.1	112.7	I44 V48 V49 D50	I44-R46 PolarHBondContact O-N 3.2Å; R46-V48 PolarHBondContact O-N 3.35Å; R46-V49 PolarHBondContact O-N 2.92Å; R46-D50 WeakPolarHBondContact O-CB 3.24Å; R46-D50 PolarHBondContact O-N 3.49Å
47	A	91.8	Very high	80.5	Confident	51 Å²	51	53.4 Å²	53.4	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-31.1	177.9	0	0	0	0	0	112.9	N45 R51	N45-A47 PolarHBondContact O-N 3.49Å; A47-R51 WeakPolarHBondContact O-CG 3.33Å; A47-R51 PolarHBondContact O-NE 3.43Å; A47-R51 PolarHBondContact O-NH2 3.44Å
48	V	92.1	Very high	83	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-77.2	-47.6	176.1	169.3	0	0	0	0	110.9	N45 R46 D50 R51 I52 K155 L156 E159	N45-V48 HydrophobicContact CB-CB 4.18Å; N45-V48 HydrophobicContact CB-CG2 4.35Å; N45-V48 VanDerWaalsContact ND2-CG2 3.27Å; N45-V48 WeakPolarHBondContact ND2-CG2 3.27Å; N45-V48 PolarHBondContact O-N 2.69Å; N45-V48 PolarHBondContact OD1-N 3.35Å; R46-V48 PolarHBondContact O-N 3.35Å; V48-D50 PolarHBondContact O-N 3.47Å; V48-R51 PolarHBondContact O-N 2.87Å; V48-I52 HydrophobicContact CG1-CD1 3.79Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 2.82Å; V48-K155 HydrophobicContact CG1-CD 4.43Å; V48-L156 HydrophobicContact CG1-CD2 4.29Å; V48-E159 WeakPolarHBondContact CG2-OE1 3.38Å
49	V	93.9	Very high	85.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-41.9	179.1	172.8	0	0	0	0	112	I44 N45 R46 R51 I52 I53 F104 Y164 L167	I44-V49 HydrophobicContact CG2-CB 4.15Å; I44-V49 HydrophobicContact CG2-CG2 3.43Å; I44-V49 VanDerWaalsContact CG2-CG2 3.43Å; N45-V49 PolarHBondContact O-N 3.02Å; N45-V49 VanDerWaalsContact O-N 3.09Å; R46-V49 PolarHBondContact O-N 2.92Å; V49-R51 VanDerWaalsContact C-N 3.26Å; V49-R51 PolarHBondContact O-N 3.37Å; V49-I52 PolarHBondContact O-N 3.41Å; V49-I53 HydrophobicContact CG1-CD1 3.46Å; V49-I53 VanDerWaalsContact CG1-CD1 3.46Å; V49-I53 HydrophobicContact CG1-CG1 4.18Å; V49-I53 WeakPolarHBondContact O-CB 3.38Å; V49-I53 WeakPolarHBondContact O-CG1 3.38Å; V49-I53 PolarHBondContact O-N 3.31Å; V49-F104 HydrophobicContact CG1-CD1 3.61Å; V49-F104 HydrophobicContact CG1-CE1 3.8Å; V49-F104 HydrophobicContact CG1-CG 4.02Å; V49-F104 HydrophobicContact CG1-CZ 4.35Å; V49-Y164 HydrophobicContact CG2-CD1 4.4Å; V49-Y164 HydrophobicContact CG2-CE1 3.95Å; V49-L167 HydrophobicContact CG2-CD2 4.33Å
50	D	94.7	Very high	87.9	Confident	46 Å²	46	45.7 Å²	45.7	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-35.1	176.8	-76.7	14.7	0	0	0	112.5	R46 V48 R54 V106	R46-D50 WeakPolarHBondContact O-CB 3.24Å; R46-D50 PolarHBondContact O-N 3.49Å; V48-D50 PolarHBondContact O-N 3.47Å; D50-R54 WeakPolarHBondContact O-CB 3.27Å; D50-R54 PolarHBondContact O-N 3.4Å; D50-V106 HydrophobicContact CB-CG2 4.37Å; D50-V106 WeakPolarHBondContact O-CG1 3.34Å
51	R	95.4	Very high	90.2	Very high	100 Å²	100	44.6 Å²	44.6	38%	0.377	23%	0.225	S	C	.	.	H	α-helix	trans	-72.4	-49.4	177.1	-78.8	-175.1	-68.8	-117.3	-5.4	111.2	A47 V48 V49 R54 V55 E215	A47-R51 WeakPolarHBondContact O-CG 3.33Å; A47-R51 PolarHBondContact O-NE 3.43Å; A47-R51 PolarHBondContact O-NH2 3.44Å; V48-R51 PolarHBondContact O-N 2.87Å; V49-R51 VanDerWaalsContact C-N 3.26Å; V49-R51 PolarHBondContact O-N 3.37Å; R51-R54 PolarHBondContact O-N 3.01Å; R51-V55 VanDerWaalsContact O-CG1 3.28Å; R51-V55 WeakPolarHBondContact O-CG1 3.38Å; R51-V55 PolarHBondContact O-N 3.39Å; R51-E215 WeakPolarHBondContact CG-O 3.27Å
52	I	96.6	Very high	92.2	Very high	8 Å²	8	42 Å²	42	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-58.5	179.5	-72.7	173.3	0	0	0	110.1	V48 V49 R54 V55 D56 Q152 L156 L167 I171	V48-I52 HydrophobicContact CG1-CD1 3.79Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 2.82Å; V49-I52 PolarHBondContact O-N 3.41Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 2.99Å; I52-V55 WeakPolarHBondContact O-CG1 3.19Å; I52-V55 PolarHBondContact O-N 3.34Å; I52-D56 VanDerWaalsContact CG2-OD2 3.3Å; I52-D56 WeakPolarHBondContact CG2-OD2 3.48Å; I52-D56 WeakPolarHBondContact O-CB 3.32Å; I52-D56 PolarHBondContact O-N 2.87Å; I52-Q152 HydrophobicContact CD1-CB 4.48Å; I52-Q152 HydrophobicContact CG1-CG 4.17Å; I52-L156 HydrophobicContact CD1-CD1 4.07Å; I52-L156 HydrophobicContact CD1-CD2 3.79Å; I52-L156 HydrophobicContact CD1-CG 3.97Å; I52-L167 HydrophobicContact CG2-CD2 4.24Å; I52-I171 HydrophobicContact CG2-CD1 3.83Å
53	I	97.4	Very high	94	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-37.2	-176.5	-67.4	174	0	0	0	111.6	V49 H57 L100 M101 F104 V106	V49-I53 HydrophobicContact CG1-CD1 3.46Å; V49-I53 VanDerWaalsContact CG1-CD1 3.46Å; V49-I53 HydrophobicContact CG1-CG1 4.18Å; V49-I53 WeakPolarHBondContact O-CB 3.38Å; V49-I53 WeakPolarHBondContact O-CG1 3.38Å; V49-I53 PolarHBondContact O-N 3.31Å; I53-H57 WeakPolarHBondContact O-CB 3.44Å; I53-H57 PolarHBondContact O-N 3.06Å; I53-L100 HydrophobicContact CD1-CB 4.15Å; I53-L100 HydrophobicContact CG1-CB 4.41Å; I53-L100 HydrophobicContact CG2-CB 4.16Å; I53-M101 HydrophobicContact CG2-CB 4.39Å; I53-M101 HydrophobicContact CG2-CG 3.68Å; I53-F104 HydrophobicContact CD1-CB 3.78Å; I53-F104 HydrophobicContact CD1-CD1 4.35Å; I53-F104 HydrophobicContact CD1-CD2 3.31Å; I53-F104 HydrophobicContact CD1-CE2 3.86Å; I53-F104 HydrophobicContact CD1-CG 3.56Å; I53-V106 HydrophobicContact CB-CB 4.5Å; I53-V106 HydrophobicContact CB-CG1 4.4Å; I53-V106 HydrophobicContact CB-CG2 4.1Å; I53-V106 HydrophobicContact CD1-CG2 4.16Å; I53-V106 HydrophobicContact CG2-CB 4.07Å; I53-V106 HydrophobicContact CG2-CG1 4.24Å; I53-V106 HydrophobicContact CG2-CG2 4.05Å
54	R	97.8	Very high	95.3	Very high	44 Å²	44	30.1 Å²	30.1	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-68.6	-48.1	-179.6	-178.8	-169.8	-47.6	-118.1	-4.8	112.4	D50 R51 I52 A58 V106 R107 S214	D50-R54 WeakPolarHBondContact O-CB 3.27Å; D50-R54 PolarHBondContact O-N 3.4Å; R51-R54 PolarHBondContact O-N 3.01Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 2.99Å; R54-A58 WeakPolarHBondContact O-CB 3.43Å; R54-A58 PolarHBondContact O-N 3.28Å; R54-A58 VanDerWaalsContact O-N 3.08Å; R54-V106 HydrophobicContact CB-CG1 3.88Å; R54-R107 PolarHBondContact NE-O 3.01Å; R54-R107 PolarHBondContact NH1-O 3.18Å; R54-S214 VanDerWaalsContact CD-O 3.25Å; R54-S214 WeakPolarHBondContact CD-O 3.44Å
55	V	98.1	Very high	96.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-38.9	-178.5	67.5	0	0	0	0	110.7	R51 I52 A58 G59 H148 I211 E215	R51-V55 VanDerWaalsContact O-CG1 3.28Å; R51-V55 WeakPolarHBondContact O-CG1 3.38Å; R51-V55 PolarHBondContact O-N 3.39Å; I52-V55 WeakPolarHBondContact O-CG1 3.19Å; I52-V55 PolarHBondContact O-N 3.34Å; V55-A58 PolarHBondContact O-N 3.34Å; V55-G59 PolarHBondContact O-N 3.43Å; V55-H148 WeakPolarHBondContact CG1-NE2 3.41Å; V55-I211 HydrophobicContact CG2-CB 4.27Å; V55-I211 HydrophobicContact CG2-CG1 4.37Å; V55-I211 HydrophobicContact CG2-CG2 4.04Å; V55-E215 HydrophobicContact CB-CG 3.96Å; V55-E215 HydrophobicContact CG1-CG 4.12Å; V55-E215 HydrophobicContact CG2-CG 4.03Å
56	D	98.1	Very high	96.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-47.8	177.7	-62.5	-17.4	0	0	0	110.7	I52 A58 G59 E60 F97 H148 Y149 Q152	I52-D56 VanDerWaalsContact CG2-OD2 3.3Å; I52-D56 WeakPolarHBondContact CG2-OD2 3.48Å; I52-D56 WeakPolarHBondContact O-CB 3.32Å; I52-D56 PolarHBondContact O-N 2.87Å; D56-A58 PolarHBondContact O-N 3.08Å; D56-G59 CarbonylContact O-C 3.59Å; D56-G59 WeakPolarHBondContact O-CA 3.17Å; D56-G59 PolarHBondContact O-N 3Å; D56-E60 WeakPolarHBondContact O-CG 3.31Å; D56-E60 PolarHBondContact O-N 3.38Å; D56-F97 HydrophobicContact CB-CD1 3.7Å; D56-F97 HydrophobicContact CB-CD2 4.13Å; D56-F97 HydrophobicContact CB-CE1 3.32Å; D56-F97 HydrophobicContact CB-CE2 3.73Å; D56-F97 HydrophobicContact CB-CG 4.1Å; D56-F97 HydrophobicContact CB-CZ 3.33Å; D56-F97 WeakPolarHBondContact OD2-CE1 3.34Å; D56-F97 WeakPolarHBondContact OD2-CZ 3.45Å; D56-H148 IonicContact OD1-CD2 3.97Å; D56-H148 IonicContact OD1-NE2 3.93Å; D56-Y149 HydrophobicContact CB-CE1 4.28Å; D56-Q152 PolarHBondContact OD1-NE2 2.97Å; D56-Q152 PolarHBondContact OD1-OE1 3.32Å; D56-Q152 PolarHBondContact OD2-NE2 3.49Å; D56-Q152 PolarHBondContact OD2-OE1 3.16Å
57	H	98.3	Very high	97	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-55.5	-40.3	174	177.5	-86	0	0	0	112.4	I53 Y61 F97 S98 M101	I53-H57 WeakPolarHBondContact O-CB 3.44Å; I53-H57 PolarHBondContact O-N 3.06Å; H57-Y61 VanDerWaalsContact O-CB 3.22Å; H57-Y61 WeakPolarHBondContact O-CB 3.31Å; H57-Y61 PolarHBondContact O-N 3.25Å; H57-F97 HydrophobicContact CB-CB 4.01Å; H57-S98 PolarHBondContact NE2-OG 2.95Å; H57-M101 HydrophobicContact CB-CG 4.24Å; H57-M101 HydrophobicContact CB-SD 3.99Å; H57-M101 WeakPolarHBondContact CD2-CE 3.45Å; H57-M101 VanDerWaalsContact CE1-CE 3.49Å; H57-M101 WeakPolarHBondContact CE1-CE 3.48Å; H57-M101 VanDerWaalsContact CG-SD 3.55Å; H57-M101 WeakPolarHBondContact NE2-CE 3.42Å
58	A	98.1	Very high	97.4	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-68.1	-37.9	176.3	0	0	0	0	0	112.3	R54 V55 D56 G62 T109 M112	R54-A58 WeakPolarHBondContact O-CB 3.43Å; R54-A58 PolarHBondContact O-N 3.28Å; R54-A58 VanDerWaalsContact O-N 3.08Å; V55-A58 PolarHBondContact O-N 3.34Å; D56-A58 PolarHBondContact O-N 3.08Å; A58-G62 PolarHBondContact O-N 2.89Å; A58-T109 HydrophobicContact CB-CG2 3.78Å; A58-M112 HydrophobicContact CB-SD 4.17Å
59	G	97.8	Very high	97.7	Very high	27 Å²	27	20.7 Å²	20.7	28%	0.278	10%	0.103	S	C	.	.	H	α-helix	trans	-60.4	-57.6	174.3	0	0	0	0	0	111.9	V55 D56 Y61 G62 A63	V55-G59 PolarHBondContact O-N 3.43Å; D56-G59 CarbonylContact O-C 3.59Å; D56-G59 WeakPolarHBondContact O-CA 3.17Å; D56-G59 PolarHBondContact O-N 3Å; G59-Y61 VanDerWaalsContact C-N 3.26Å; G59-Y61 PolarHBondContact O-N 3.29Å; G59-G62 CarbonylContact O-C 3.56Å; G59-G62 WeakPolarHBondContact O-CA 3.33Å; G59-G62 PolarHBondContact O-N 3.2Å; G59-A63 PolarHBondContact O-N 3.11Å
60	E	98.1	Very high	97.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-37.6	179.2	-56.6	-40.9	112.6	0	0	111.8	D56 A63 N64 E90 H93 L94 F97 Y149	D56-E60 WeakPolarHBondContact O-CG 3.31Å; D56-E60 PolarHBondContact O-N 3.38Å; E60-A63 PolarHBondContact O-N 3.36Å; E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 3.48Å; E60-N64 PolarHBondContact O-ND2 3.31Å; E60-E90 WeakPolarHBondContact CA-OE1 3.37Å; E60-E90 WeakPolarHBondContact CB-OE1 3.43Å; E60-H93 HydrophobicContact CG-CB 4Å; E60-H93 WeakPolarHBondContact OE2-CB 3.2Å; E60-H93 IonicContact OE2-CG 2.67Å; E60-H93 IonicContact OE2-ND1 3.96Å; E60-H93 PolarHBondContact OE2-ND1 2.94Å; E60-L94 HydrophobicContact CB-CB 3.95Å; E60-L94 HydrophobicContact CB-CD1 4.28Å; E60-F97 HydrophobicContact CG-CD2 3.57Å; E60-F97 HydrophobicContact CG-CE2 3.94Å; E60-Y149 VanDerWaalsContact CD-OH 3.27Å; E60-Y149 PolarHBondContact OE1-OH 3.38Å
61	Y	98.4	Very high	98.1	Very high	62 Å²	62	20.1 Å²	20.1	24%	0.243	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-43.2	173.8	-175.2	-95.6	0	0	0	111.3	H57 G59 N64 R65 L94 M112 N116	H57-Y61 VanDerWaalsContact O-CB 3.22Å; H57-Y61 WeakPolarHBondContact O-CB 3.31Å; H57-Y61 PolarHBondContact O-N 3.25Å; G59-Y61 VanDerWaalsContact C-N 3.26Å; G59-Y61 PolarHBondContact O-N 3.29Å; Y61-N64 PolarHBondContact O-N 3.04Å; Y61-R65 HydrophobicContact CD1-CG 4.22Å; Y61-R65 HydrophobicContact CE1-CG 3.93Å; Y61-R65 WeakPolarHBondContact O-CG 3.31Å; Y61-R65 PolarHBondContact O-N 2.99Å; Y61-R65 VanDerWaalsContact O-N 3.11Å; Y61-L94 HydrophobicContact CD2-CD1 4.33Å; Y61-L94 HydrophobicContact CD2-CD2 4.04Å; Y61-M112 HydrophobicContact CD1-CE 3.35Å; Y61-M112 HydrophobicContact CD1-SD 4.17Å; Y61-M112 HydrophobicContact CD2-CE 3.62Å; Y61-M112 HydrophobicContact CE1-CE 3.78Å; Y61-M112 HydrophobicContact CE2-CE 4.04Å; Y61-M112 HydrophobicContact CG-CE 3.24Å; Y61-M112 HydrophobicContact CG-SD 4.33Å; Y61-N116 HydrophobicContact CE1-CB 3.77Å; Y61-N116 PolarHBondContact OH-OD1 2.92Å
62	G	98.3	Very high	98.3	Very high	12 Å²	12	18.7 Å²	18.7	12%	0.124	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-48.5	174.1	0	0	0	0	0	112.6	A58 G59 R65 I66	A58-G62 PolarHBondContact O-N 2.89Å; G59-G62 CarbonylContact O-C 3.56Å; G59-G62 WeakPolarHBondContact O-CA 3.33Å; G59-G62 PolarHBondContact O-N 3.2Å; G62-R65 WeakPolarHBondContact O-CA 3.27Å; G62-R65 WeakPolarHBondContact O-CB 3.36Å; G62-R65 PolarHBondContact O-N 3.36Å; G62-I66 WeakPolarHBondContact O-CG1 3.31Å; G62-I66 PolarHBondContact O-N 3.38Å
63	A	98.2	Very high	98.4	Very high	2 Å²	2	21 Å²	21	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.7	0	0	0	0	0	111.7	G59 E60 R65 I66 Y67 E90 I145	G59-A63 PolarHBondContact O-N 3.11Å; E60-A63 PolarHBondContact O-N 3.36Å; A63-R65 PolarHBondContact O-N 3.4Å; A63-I66 WeakPolarHBondContact O-CB 3.46Å; A63-I66 PolarHBondContact O-N 3.41Å; A63-Y67 WeakPolarHBondContact O-CD2 3.28Å; A63-Y67 PolarHBondContact O-N 3.12Å; A63-E90 HydrophobicContact CB-CG 3.79Å; A63-I145 HydrophobicContact CB-CD1 4.3Å
64	N	98.6	Very high	98.4	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.08	13%	0.126	C	C	.	.	H	α-helix	trans	-54.7	-36.9	171.9	-92.4	-89.5	0	0	0	113.1	E60 Y61 A68 W87 E90 K91 L94	E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 3.48Å; E60-N64 PolarHBondContact O-ND2 3.31Å; Y61-N64 PolarHBondContact O-N 3.04Å; N64-A68 WeakPolarHBondContact O-CB 3.2Å; N64-A68 PolarHBondContact O-N 3.27Å; N64-W87 PolarHBondContact O-NE1 3.11Å; N64-W87 PolarHBondContact OD1-NE1 2.89Å; N64-E90 WeakPolarHBondContact ND2-CG 3.12Å; N64-E90 PolarHBondContact ND2-O 2.9Å; N64-E90 PolarHBondContact ND2-OE1 3.25Å; N64-E90 VanDerWaalsContact ND2-OE1 3.11Å; N64-K91 WeakPolarHBondContact OD1-CG 3.42Å; N64-L94 HydrophobicContact CB-CD2 4.26Å; N64-L94 WeakPolarHBondContact ND2-CB 3.38Å
65	R	98.8	Very high	98.4	Very high	60 Å²	60	20.8 Å²	20.8	23%	0.226	13%	0.131	C	C	.	.	H	α-helix	trans	-75.2	-36	178.2	-66.2	-63.8	-57.3	142.4	-9.9	112.1	Y61 G62 A63 A68 G69 N116 F120	Y61-R65 HydrophobicContact CD1-CG 4.22Å; Y61-R65 HydrophobicContact CE1-CG 3.93Å; Y61-R65 WeakPolarHBondContact O-CG 3.31Å; Y61-R65 PolarHBondContact O-N 2.99Å; Y61-R65 VanDerWaalsContact O-N 3.11Å; G62-R65 WeakPolarHBondContact O-CA 3.27Å; G62-R65 WeakPolarHBondContact O-CB 3.36Å; G62-R65 PolarHBondContact O-N 3.36Å; A63-R65 PolarHBondContact O-N 3.4Å; R65-A68 PolarHBondContact O-N 2.91Å; R65-G69 PolarHBondContact O-N 2.62Å; R65-N116 VanDerWaalsContact CD-OD1 3.24Å; R65-N116 WeakPolarHBondContact CD-OD1 3.49Å; R65-N116 PolarHBondContact NE-O 3Å; R65-N116 PolarHBondContact NE-OD1 3.45Å; R65-N116 PolarHBondContact NH2-O 2.81Å; R65-N116 PolarHBondContact NH2-OD1 3.22Å; R65-F120 VanDerWaalsContact NH2-CB 3.26Å; R65-F120 VanDerWaalsContact O-CA 3.27Å; R65-F120 WeakPolarHBondContact O-CA 3.15Å
66	I	98.8	Very high	98.4	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-52.1	171.9	-68	166.9	0	0	0	109.9	G62 A63 A68 G69 Q70 G119 L122 G123 V141	G62-I66 WeakPolarHBondContact O-CG1 3.31Å; G62-I66 PolarHBondContact O-N 3.38Å; A63-I66 WeakPolarHBondContact O-CB 3.46Å; A63-I66 PolarHBondContact O-N 3.41Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 3.4Å; I66-G69 WeakPolarHBondContact O-CA 3.49Å; I66-G69 PolarHBondContact O-N 3.22Å; I66-Q70 HydrophobicContact CG2-CG 4.49Å; I66-Q70 WeakPolarHBondContact O-CG 3.44Å; I66-Q70 PolarHBondContact O-N 3.43Å; I66-G119 VanDerWaalsContact CA-O 3.27Å; I66-G119 WeakPolarHBondContact CA-O 3.33Å; I66-G119 WeakPolarHBondContact CG1-O 3.34Å; I66-L122 HydrophobicContact CD1-CD2 3.98Å; I66-L122 HydrophobicContact CG1-CD2 4.36Å; I66-G123 WeakPolarHBondContact O-CA 3.18Å; I66-V141 HydrophobicContact CD1-CG1 4.23Å; I66-V141 HydrophobicContact CD1-CG2 3.86Å
67	Y	98.8	Very high	98.4	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-39	177	-77.8	-57.6	0	0	0	113	A63 G69 Q70 M71 I83 M86 W87 E90 E142	A63-Y67 WeakPolarHBondContact O-CD2 3.28Å; A63-Y67 PolarHBondContact O-N 3.12Å; Y67-G69 VanDerWaalsContact C-N 3.29Å; Y67-G69 PolarHBondContact O-N 3.33Å; Y67-Q70 VanDerWaalsContact CD1-OE1 3.25Å; Y67-Q70 PolarHBondContact O-N 3.19Å; Y67-M71 WeakPolarHBondContact O-CB 3.38Å; Y67-M71 WeakPolarHBondContact O-CG 3.21Å; Y67-M71 PolarHBondContact O-N 3.49Å; Y67-I83 HydrophobicContact CD1-CG2 3.82Å; Y67-I83 HydrophobicContact CE1-CG2 4.43Å; Y67-M86 HydrophobicContact CE1-CB 3.92Å; Y67-M86 HydrophobicContact CE1-CE 4.03Å; Y67-M86 HydrophobicContact CE2-CB 4.47Å; Y67-M86 WeakPolarHBondContact OH-CB 3.5Å; Y67-W87 HydrophobicContact CD1-CB 4.23Å; Y67-W87 HydrophobicContact CD2-CB 4.19Å; Y67-W87 HydrophobicContact CD2-CG 4.37Å; Y67-W87 HydrophobicContact CG-CB 3.79Å; Y67-W87 AromaticContact CG-CD1 4Å; Y67-W87 AromaticContact CG-CG 3.98Å; Y67-W87 HydrophobicContact CG-CG 3.98Å; Y67-E90 HydrophobicContact CD2-CB 4.04Å; Y67-E90 HydrophobicContact CD2-CG 3.81Å; Y67-E90 HydrophobicContact CE2-CB 4Å; Y67-E90 HydrophobicContact CE2-CG 3.9Å; Y67-E142 PolarHBondContact OH-OE1 3.11Å
68	A	98.9	Very high	98.4	Very high	14 Å²	14	40.6 Å²	40.6	12%	0.116	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-39.7	173.3	0	0	0	0	0	112.3	N64 R65 I66 A72 W87 F120	N64-A68 WeakPolarHBondContact O-CB 3.2Å; N64-A68 PolarHBondContact O-N 3.27Å; R65-A68 PolarHBondContact O-N 2.91Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 3.4Å; A68-A72 PolarHBondContact O-N 2.97Å; A68-A72 VanDerWaalsContact O-N 3.08Å; A68-W87 HydrophobicContact CB-CH2 4.01Å; A68-W87 HydrophobicContact CB-CZ2 3.7Å; A68-F120 HydrophobicContact CB-CD2 4.19Å; A68-F120 HydrophobicContact CB-CE2 4.5Å
69	G	98.8	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-45.4	174.4	0	0	0	0	0	112.5	R65 I66 Y67 M71 A72 A124	R65-G69 PolarHBondContact O-N 2.62Å; I66-G69 WeakPolarHBondContact O-CA 3.49Å; I66-G69 PolarHBondContact O-N 3.22Å; Y67-G69 VanDerWaalsContact C-N 3.29Å; Y67-G69 PolarHBondContact O-N 3.33Å; G69-M71 PolarHBondContact O-N 3.21Å; G69-A72 WeakPolarHBondContact O-CB 3.27Å; G69-A72 PolarHBondContact O-N 3.06Å; G69-A124 WeakPolarHBondContact O-CA 3.22Å
70	Q	98.8	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-45.6	176.5	-69.1	179.7	-18.4	0	0	111.6	I66 Y67 A72 V73 L74 I83 G123 A127 A134 T138	I66-Q70 HydrophobicContact CG2-CG 4.49Å; I66-Q70 WeakPolarHBondContact O-CG 3.44Å; I66-Q70 PolarHBondContact O-N 3.43Å; Y67-Q70 VanDerWaalsContact CD1-OE1 3.25Å; Y67-Q70 PolarHBondContact O-N 3.19Å; Q70-A72 VanDerWaalsContact C-N 3.29Å; Q70-A72 PolarHBondContact O-N 2.93Å; Q70-V73 PolarHBondContact O-N 3.29Å; Q70-V73 VanDerWaalsContact O-N 3.12Å; Q70-L74 PolarHBondContact O-N 3.34Å; Q70-I83 HydrophobicContact CB-CD1 4.4Å; Q70-I83 HydrophobicContact CB-CG2 4.13Å; Q70-G123 WeakPolarHBondContact CG-O 3.46Å; Q70-A127 HydrophobicContact CB-CB 4.34Å; Q70-A127 HydrophobicContact CG-CB 4.32Å; Q70-A134 HydrophobicContact CG-CB 4.17Å; Q70-A134 PolarHBondContact NE2-O 3.08Å; Q70-T138 PolarHBondContact NE2-OG1 3.06Å
71	M	98.8	Very high	98.4	Very high	35 Å²	35	43.9 Å²	43.9	17%	0.172	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-30.4	178	-76.2	-60.4	-63.7	0	0	113.2	Y67 G69 V73 G75 I83 Q84 W87	Y67-M71 WeakPolarHBondContact O-CB 3.38Å; Y67-M71 WeakPolarHBondContact O-CG 3.21Å; Y67-M71 PolarHBondContact O-N 3.49Å; G69-M71 PolarHBondContact O-N 3.21Å; M71-V73 PolarHBondContact O-N 3.04Å; M71-G75 VanDerWaalsContact O-CA 3.27Å; M71-G75 WeakPolarHBondContact O-CA 3.35Å; M71-G75 PolarHBondContact O-N 2.96Å; M71-I83 HydrophobicContact CG-CG2 3.72Å; M71-I83 HydrophobicContact SD-CB 3.79Å; M71-I83 HydrophobicContact SD-CG2 3.58Å; M71-I83 VanDerWaalsContact SD-CG2 3.58Å; M71-Q84 HydrophobicContact CE-CB 4.28Å; M71-Q84 HydrophobicContact SD-CB 4.4Å; M71-W87 HydrophobicContact CB-CE3 4.35Å; M71-W87 HydrophobicContact CB-CZ3 4.05Å; M71-W87 HydrophobicContact CG-CE3 3.66Å; M71-W87 HydrophobicContact CG-CZ3 3.85Å
72	A	98.7	Very high	98.4	Very high	71 Å²	71	42.6 Å²	42.6	59%	0.587	25%	0.245	S	C	*	.	H	α-helix	trans	-62.7	-28.8	174.6	0	0	0	0	0	112.5	A68 G69 Q70 F120	A68-A72 PolarHBondContact O-N 2.97Å; A68-A72 VanDerWaalsContact O-N 3.08Å; G69-A72 WeakPolarHBondContact O-CB 3.27Å; G69-A72 PolarHBondContact O-N 3.06Å; Q70-A72 VanDerWaalsContact C-N 3.29Å; Q70-A72 PolarHBondContact O-N 2.93Å; A72-F120 HydrophobicContact CB-CE2 4.26Å; A72-F120 HydrophobicContact CB-CZ 4.03Å
73	V	98.7	Very high	98.4	Very high	55 Å²	55	42 Å²	42	33%	0.333	24%	0.239	S	C	.	.	H	α-helix	trans	-99.7	-50.3	-178.5	-178.8	0	0	0	0	111.8	Q70 M71 A124 A127 L128	Q70-V73 PolarHBondContact O-N 3.29Å; Q70-V73 VanDerWaalsContact O-N 3.12Å; M71-V73 PolarHBondContact O-N 3.04Å; V73-A124 HydrophobicContact CG2-CB 4.16Å; V73-A127 HydrophobicContact CB-CB 3.77Å; V73-A127 HydrophobicContact CG1-CB 4.07Å; V73-A127 HydrophobicContact CG2-CB 4.21Å; V73-L128 HydrophobicContact CG1-CD2 3.95Å; V73-L128 HydrophobicContact CG1-CG 4.33Å; V73-L128 HydrophobicContact CG2-CD2 4.33Å; V73-L128 HydrophobicContact CG2-CG 4.29Å
74	L	98.6	Very high	98.4	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-102.2	-3.4	-170.5	-66.7	172.1	0	0	0	113.9	Q70 R76 T77 V79 I83 A127 A134	Q70-L74 PolarHBondContact O-N 3.34Å; L74-R76 PolarHBondContact O-N 2.94Å; L74-T77 HydrophobicContact CD2-CG2 3.99Å; L74-T77 WeakPolarHBondContact O-CB 3.43Å; L74-T77 PolarHBondContact O-N 3.31Å; L74-T77 PolarHBondContact O-OG1 3.17Å; L74-V79 HydrophobicContact CB-CG1 4.15Å; L74-V79 HydrophobicContact CD1-CG1 4.22Å; L74-I83 HydrophobicContact CB-CD1 4Å; L74-I83 HydrophobicContact CD1-CD1 4.13Å; L74-A127 HydrophobicContact CD1-CB 3.72Å; L74-A127 HydrophobicContact CG-CB 3.96Å; L74-A134 HydrophobicContact CD1-CB 3.57Å
75	G	97.8	Very high	98.4	Very high	26 Å²	26	49.3 Å²	49.3	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.8	-171.5	0	0	0	0	0	115.4	M71	M71-G75 VanDerWaalsContact O-CA 3.27Å; M71-G75 WeakPolarHBondContact O-CA 3.35Å; M71-G75 PolarHBondContact O-N 2.96Å
76	R	97.8	Very high	98.4	Very high	255 Å²	255	46.6 Å²	46.6	96%	0.962	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	4.9	176.5	-61.9	-176.4	-178.7	173.7	0.9	114.1	L74	L74-R76 PolarHBondContact O-N 2.94Å
77	T	98.1	Very high	98.4	Very high	61 Å²	61	48.2 Å²	48.2	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	-93.2	177	178.1	72.4	0	0	0	0	110.9	L74 V79 G80	L74-T77 HydrophobicContact CD2-CG2 3.99Å; L74-T77 WeakPolarHBondContact O-CB 3.43Å; L74-T77 PolarHBondContact O-N 3.31Å; L74-T77 PolarHBondContact O-OG1 3.17Å; T77-V79 PolarHBondContact O-N 2.88Å; T77-V79 WeakPolarHBondContact OG1-CG1 3.4Å; T77-V79 PolarHBondContact OG1-N 2.85Å; T77-G80 PolarHBondContact O-N 3.48Å
78	S	96.7	Very high	98.4	Very high	122 Å²	122	51.8 Å²	51.8	85%	0.853	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	176.8	51.7	0	0	0	0	114.1
79	V	97.8	Very high	98.3	Very high	5 Å²	5	53 Å²	53	3%	0.03	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.9	176.6	72.9	0	0	0	0	113	L74 T77 V82 I83 K131 M135	L74-V79 HydrophobicContact CB-CG1 4.15Å; L74-V79 HydrophobicContact CD1-CG1 4.22Å; T77-V79 PolarHBondContact O-N 2.88Å; T77-V79 WeakPolarHBondContact OG1-CG1 3.4Å; T77-V79 PolarHBondContact OG1-N 2.85Å; V79-V82 HydrophobicContact CG2-CB 4.14Å; V79-V82 WeakPolarHBondContact O-CB 3.28Å; V79-V82 PolarHBondContact O-N 3.38Å; V79-I83 HydrophobicContact CG1-CD1 3.85Å; V79-I83 HydrophobicContact CG2-CD1 4.36Å; V79-I83 HydrophobicContact CG2-CG1 4.23Å; V79-I83 PolarHBondContact O-N 3.11Å; V79-I83 VanDerWaalsContact O-N 3.12Å; V79-K131 HydrophobicContact CB-CD 4.31Å; V79-K131 HydrophobicContact CB-CG 3.94Å; V79-K131 HydrophobicContact CG1-CB 4.3Å; V79-K131 HydrophobicContact CG1-CG 3.99Å; V79-K131 HydrophobicContact CG2-CD 4.3Å; V79-K131 HydrophobicContact CG2-CG 3.87Å; V79-M135 HydrophobicContact CG2-CE 4.38Å
80	G	98.4	Very high	98.3	Very high	2 Å²	2	53 Å²	53	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-50	-46.5	-179.4	0	0	0	0	0	114.4	T77 V82 I83 Q84	T77-G80 PolarHBondContact O-N 3.48Å; G80-V82 VanDerWaalsContact C-N 3.31Å; G80-V82 PolarHBondContact O-N 3.05Å; G80-I83 PolarHBondContact O-N 3.29Å; G80-Q84 WeakPolarHBondContact O-CB 3.32Å; G80-Q84 PolarHBondContact O-N 3.05Å
81	P	98.6	Very high	98.3	Very high	94 Å²	94	56.6 Å²	56.6	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-61.5	-33.1	176.3	-26.2	36.1	0	0	0	114.7	K85	P81-K85 PolarHBondContact O-N 2.95Å
82	V	98.4	Very high	98.3	Very high	35 Å²	35	59.9 Å²	59.9	21%	0.212	32%	0.322	C	S	.	.	H	α-helix	trans	-70.3	-47.9	178.6	179.8	0	0	0	0	109.8	V79 G80 Q84 K85 M86 T184	V79-V82 HydrophobicContact CG2-CB 4.14Å; V79-V82 WeakPolarHBondContact O-CB 3.28Å; V79-V82 PolarHBondContact O-N 3.38Å; G80-V82 VanDerWaalsContact C-N 3.31Å; G80-V82 PolarHBondContact O-N 3.05Å; V82-Q84 VanDerWaalsContact C-N 3.3Å; V82-Q84 PolarHBondContact O-N 3.46Å; V82-K85 PolarHBondContact O-N 2.93Å; V82-M86 HydrophobicContact CG1-CE 4.29Å; V82-M86 PolarHBondContact O-N 2.78Å; V82-T184 HydrophobicContact CG1-CG2 3.79Å
83	I	98.6	Very high	98.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-43	175.3	-61.9	172	0	0	0	110.2	Y67 Q70 M71 L74 V79 G80 K85 M86 W87 M135	Y67-I83 HydrophobicContact CD1-CG2 3.82Å; Y67-I83 HydrophobicContact CE1-CG2 4.43Å; Q70-I83 HydrophobicContact CB-CD1 4.4Å; Q70-I83 HydrophobicContact CB-CG2 4.13Å; M71-I83 HydrophobicContact CG-CG2 3.72Å; M71-I83 HydrophobicContact SD-CB 3.79Å; M71-I83 HydrophobicContact SD-CG2 3.58Å; M71-I83 VanDerWaalsContact SD-CG2 3.58Å; L74-I83 HydrophobicContact CB-CD1 4Å; L74-I83 HydrophobicContact CD1-CD1 4.13Å; V79-I83 HydrophobicContact CG1-CD1 3.85Å; V79-I83 HydrophobicContact CG2-CD1 4.36Å; V79-I83 HydrophobicContact CG2-CG1 4.23Å; V79-I83 PolarHBondContact O-N 3.11Å; V79-I83 VanDerWaalsContact O-N 3.12Å; G80-I83 PolarHBondContact O-N 3.29Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.17Å; I83-M86 PolarHBondContact O-N 2.86Å; I83-W87 VanDerWaalsContact O-CB 3.31Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 2.78Å; I83-M135 HydrophobicContact CD1-CE 4.08Å; I83-M135 HydrophobicContact CG1-CE 3.68Å
84	Q	98.7	Very high	98.2	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-40.2	178.4	-172.4	62.3	68	0	0	112.3	M71 G80 V82 W87 D88	M71-Q84 HydrophobicContact CE-CB 4.28Å; M71-Q84 HydrophobicContact SD-CB 4.4Å; G80-Q84 WeakPolarHBondContact O-CB 3.32Å; G80-Q84 PolarHBondContact O-N 3.05Å; V82-Q84 VanDerWaalsContact C-N 3.3Å; V82-Q84 PolarHBondContact O-N 3.46Å; Q84-W87 PolarHBondContact O-N 2.9Å; Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 WeakPolarHBondContact O-CB 3.42Å; Q84-D88 PolarHBondContact O-N 2.9Å
85	K	98.5	Very high	98.2	Very high	115 Å²	115	60.2 Å²	60.2	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-50.7	177.5	-176.2	-163.1	168.5	-145.8	0	111.1	P81 V82 I83 W87 D88 Q89 E180	P81-K85 PolarHBondContact O-N 2.95Å; V82-K85 PolarHBondContact O-N 2.93Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.17Å; K85-W87 VanDerWaalsContact C-N 3.34Å; K85-D88 PolarHBondContact O-N 2.92Å; K85-Q89 PolarHBondContact O-N 3.49Å; K85-E180 IonicContact NZ-OE1 3.32Å; K85-E180 PolarHBondContact NZ-OE1 3.07Å
86	M	98.4	Very high	98.3	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178.3	-63.3	-177.1	-69.6	0	0	110.7	Y67 V82 I83 D88 Q89 E90 M135 T138 H181 T184	Y67-M86 HydrophobicContact CE1-CB 3.92Å; Y67-M86 HydrophobicContact CE1-CE 4.03Å; Y67-M86 HydrophobicContact CE2-CB 4.47Å; Y67-M86 WeakPolarHBondContact OH-CB 3.5Å; V82-M86 HydrophobicContact CG1-CE 4.29Å; V82-M86 PolarHBondContact O-N 2.78Å; I83-M86 PolarHBondContact O-N 2.86Å; M86-D88 VanDerWaalsContact C-N 3.28Å; M86-D88 PolarHBondContact O-N 3.37Å; M86-Q89 WeakPolarHBondContact O-CB 3.4Å; M86-Q89 PolarHBondContact O-N 3.27Å; M86-Q89 VanDerWaalsContact O-N 3.09Å; M86-E90 PolarHBondContact O-N 3.01Å; M86-M135 HydrophobicContact CE-CE 4.12Å; M86-M135 HydrophobicContact CE-SD 4.3Å; M86-T138 HydrophobicContact CE-CG2 4.39Å; M86-T138 HydrophobicContact SD-CG2 4.2Å; M86-H181 HydrophobicContact SD-CB 4.13Å; M86-T184 HydrophobicContact CE-CG2 4.46Å; M86-T184 HydrophobicContact SD-CG2 3.83Å
87	W	98.7	Very high	98.3	Very high	49 Å²	49	48.2 Å²	48.2	19%	0.186	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-34.2	178.5	-171.5	22.2	0	0	0	113.4	N64 Y67 A68 M71 I83 Q84 K85 Q89 E90 K91	N64-W87 PolarHBondContact O-NE1 3.11Å; N64-W87 PolarHBondContact OD1-NE1 2.89Å; Y67-W87 HydrophobicContact CD1-CB 4.23Å; Y67-W87 HydrophobicContact CD2-CB 4.19Å; Y67-W87 HydrophobicContact CD2-CG 4.37Å; Y67-W87 HydrophobicContact CG-CB 3.79Å; Y67-W87 AromaticContact CG-CD1 4Å; Y67-W87 AromaticContact CG-CG 3.98Å; Y67-W87 HydrophobicContact CG-CG 3.98Å; A68-W87 HydrophobicContact CB-CH2 4.01Å; A68-W87 HydrophobicContact CB-CZ2 3.7Å; M71-W87 HydrophobicContact CB-CE3 4.35Å; M71-W87 HydrophobicContact CB-CZ3 4.05Å; M71-W87 HydrophobicContact CG-CE3 3.66Å; M71-W87 HydrophobicContact CG-CZ3 3.85Å; I83-W87 VanDerWaalsContact O-CB 3.31Å; I83-W87 WeakPolarHBondContact O-CB 3.37Å; I83-W87 PolarHBondContact O-N 2.78Å; Q84-W87 PolarHBondContact O-N 2.9Å; K85-W87 VanDerWaalsContact C-N 3.34Å; W87-Q89 VanDerWaalsContact C-N 3.35Å; W87-E90 PolarHBondContact O-N 3.41Å; W87-K91 WeakPolarHBondContact O-CG 3.34Å; W87-K91 PolarHBondContact O-N 3.45Å
88	D	98.6	Very high	98.3	Very high	75 Å²	75	47.3 Å²	47.3	40%	0.401	25%	0.25	S	C	.	.	H	α-helix	trans	-69.1	-33.6	176.8	-71.7	-20.8	0	0	0	112.3	Q84 K85 M86 K91	Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 WeakPolarHBondContact O-CB 3.42Å; Q84-D88 PolarHBondContact O-N 2.9Å; K85-D88 PolarHBondContact O-N 2.92Å; M86-D88 VanDerWaalsContact C-N 3.28Å; M86-D88 PolarHBondContact O-N 3.37Å; D88-K91 IonicContact OD1-NZ 2.78Å; D88-K91 PolarHBondContact OD1-NZ 3.14Å
89	Q	97.6	Very high	98.3	Very high	41 Å²	41	45.6 Å²	45.6	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-43.4	170.5	-68.1	173.5	-67.9	0	0	110.8	K85 M86 W87 K91 D92 H93 H181	K85-Q89 PolarHBondContact O-N 3.49Å; M86-Q89 WeakPolarHBondContact O-CB 3.4Å; M86-Q89 PolarHBondContact O-N 3.27Å; M86-Q89 VanDerWaalsContact O-N 3.09Å; W87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 2.91Å; Q89-D92 WeakPolarHBondContact O-CA 3.38Å; Q89-D92 WeakPolarHBondContact O-CB 3.39Å; Q89-D92 PolarHBondContact O-N 3.46Å; Q89-H93 PolarHBondContact O-CD2 3.22Å; Q89-H93 PolarHBondContact O-N 3.44Å; Q89-H93 VanDerWaalsContact O-N 3.1Å; Q89-H181 PolarHBondContact OE1-NE2 3.27Å
90	E	98	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-32.2	179.8	-172.5	38.5	-128.1	0	0	112.6	E60 A63 N64 Y67 M86 W87 D92 H93 L94	E60-E90 WeakPolarHBondContact CA-OE1 3.37Å; E60-E90 WeakPolarHBondContact CB-OE1 3.43Å; A63-E90 HydrophobicContact CB-CG 3.79Å; N64-E90 WeakPolarHBondContact ND2-CG 3.12Å; N64-E90 PolarHBondContact ND2-O 2.9Å; N64-E90 PolarHBondContact ND2-OE1 3.25Å; N64-E90 VanDerWaalsContact ND2-OE1 3.11Å; Y67-E90 HydrophobicContact CD2-CB 4.04Å; Y67-E90 HydrophobicContact CD2-CG 3.81Å; Y67-E90 HydrophobicContact CE2-CB 4Å; Y67-E90 HydrophobicContact CE2-CG 3.9Å; M86-E90 PolarHBondContact O-N 3.01Å; W87-E90 PolarHBondContact O-N 3.41Å; E90-D92 VanDerWaalsContact C-N 3.31Å; E90-D92 PolarHBondContact O-N 3.06Å; E90-H93 PolarHBondContact O-N 3.45Å; E90-H93 IonicContact OE2-CG 3.85Å; E90-H93 IonicContact OE2-ND1 3.92Å; E90-H93 PolarHBondContact OE2-ND1 2.84Å; E90-L94 PolarHBondContact O-N 3.08Å
91	K	98.7	Very high	98.1	Very high	74 Å²	74	46.9 Å²	46.9	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-35.9	170.9	-72.2	167.2	-163.1	160.7	0	112.5	N64 W87 D88 Q89 K95	N64-K91 WeakPolarHBondContact OD1-CG 3.42Å; W87-K91 WeakPolarHBondContact O-CG 3.34Å; W87-K91 PolarHBondContact O-N 3.45Å; D88-K91 IonicContact OD1-NZ 2.78Å; D88-K91 PolarHBondContact OD1-NZ 3.14Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 2.91Å; K91-K95 VanDerWaalsContact O-CB 3.28Å; K91-K95 WeakPolarHBondContact O-CB 3.45Å; K91-K95 PolarHBondContact O-N 3.28Å
92	D	98.4	Very high	98	Very high	104 Å²	104	48 Å²	48	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-70.4	-34.7	176.8	-77.4	-25.4	0	0	0	111.1	Q89 E90 K95 K96	Q89-D92 WeakPolarHBondContact O-CA 3.38Å; Q89-D92 WeakPolarHBondContact O-CB 3.39Å; Q89-D92 PolarHBondContact O-N 3.46Å; E90-D92 VanDerWaalsContact C-N 3.31Å; E90-D92 PolarHBondContact O-N 3.06Å; D92-K95 PolarHBondContact O-N 3.49Å; D92-K96 WeakPolarHBondContact O-CB 3.3Å; D92-K96 PolarHBondContact O-N 3.06Å
93	H	98.4	Very high	97.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-53.8	173.2	-59	178	0	0	0	111.7	E60 Q89 E90 K95 K96 F97 F174 E177 E178	E60-H93 HydrophobicContact CG-CB 4Å; E60-H93 WeakPolarHBondContact OE2-CB 3.2Å; E60-H93 IonicContact OE2-CG 2.67Å; E60-H93 IonicContact OE2-ND1 3.96Å; E60-H93 PolarHBondContact OE2-ND1 2.94Å; Q89-H93 PolarHBondContact O-CD2 3.22Å; Q89-H93 PolarHBondContact O-N 3.44Å; Q89-H93 VanDerWaalsContact O-N 3.1Å; E90-H93 PolarHBondContact O-N 3.45Å; E90-H93 IonicContact OE2-CG 3.85Å; E90-H93 IonicContact OE2-ND1 3.92Å; E90-H93 PolarHBondContact OE2-ND1 2.84Å; H93-K95 VanDerWaalsContact C-N 3.27Å; H93-K95 PolarHBondContact O-N 3Å; H93-K96 WeakPolarHBondContact O-CA 3.28Å; H93-K96 WeakPolarHBondContact O-CB 3.5Å; H93-K96 PolarHBondContact O-N 3.31Å; H93-F97 PolarHBondContact O-N 3.1Å; H93-F174 HydrophobicContact CB-CD2 4.22Å; H93-F174 HydrophobicContact CB-CE2 3.98Å; H93-F174 HydrophobicContact CB-CZ 4.15Å; H93-F174 AromaticContact CD2-CD1 3.46Å; H93-F174 VanDerWaalsContact CD2-CD1 3.46Å; H93-F174 WeakPolarHBondContact CD2-CD1 3.21Å; H93-F174 AromaticContact CD2-CE1 3.41Å; H93-F174 VanDerWaalsContact CD2-CE1 3.41Å; H93-F174 WeakPolarHBondContact CD2-CE1 3.44Å; H93-F174 AromaticContact CD2-CG 3.97Å; H93-F174 AromaticContact CD2-CZ 3.87Å; H93-F174 AromaticContact NE2-CD1 3.65Å; H93-E177 IonicContact CD2-OE2 3.19Å; H93-E177 IonicContact NE2-OE2 3.48Å; H93-E177 PolarHBondContact NE2-OE2 3.38Å; H93-E177 VanDerWaalsContact NE2-OE2 3.1Å; H93-E178 IonicContact CE1-OE1 3.56Å; H93-E178 PolarHBondContact CE1-OE1 2.69Å; H93-E178 IonicContact ND1-OE1 2.64Å; H93-E178 PolarHBondContact ND1-OE1 3.21Å
94	L	98.5	Very high	97.3	Very high	28 Å²	28	50.1 Å²	50.1	15%	0.147	25%	0.25	C	S	.	.	H	α-helix	trans	-56.5	-42.3	176.8	174	60	0	0	0	111.9	E60 Y61 N64 E90 K96 F97 S98	E60-L94 HydrophobicContact CB-CB 3.95Å; E60-L94 HydrophobicContact CB-CD1 4.28Å; Y61-L94 HydrophobicContact CD2-CD1 4.33Å; Y61-L94 HydrophobicContact CD2-CD2 4.04Å; N64-L94 HydrophobicContact CB-CD2 4.26Å; N64-L94 WeakPolarHBondContact ND2-CB 3.38Å; E90-L94 PolarHBondContact O-N 3.08Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.49Å; L94-F97 PolarHBondContact O-N 2.98Å; L94-S98 WeakPolarHBondContact O-CB 3.37Å; L94-S98 PolarHBondContact O-N 2.98Å; L94-S98 PolarHBondContact O-OG 3.29Å
95	K	98.6	Very high	97.1	Very high	120 Å²	120	58.1 Å²	58.1	52%	0.522	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-45.2	175.5	-179.8	-175.6	172.5	-168.5	0	110.8	K91 D92 H93 S98 E99	K91-K95 VanDerWaalsContact O-CB 3.28Å; K91-K95 WeakPolarHBondContact O-CB 3.45Å; K91-K95 PolarHBondContact O-N 3.28Å; D92-K95 PolarHBondContact O-N 3.49Å; H93-K95 VanDerWaalsContact C-N 3.27Å; H93-K95 PolarHBondContact O-N 3Å; K95-S98 WeakPolarHBondContact O-CB 3.19Å; K95-S98 PolarHBondContact O-N 3.45Å; K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CG 3.24Å; K95-E99 PolarHBondContact O-N 2.98Å
96	K	98.2	Very high	96.9	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-44.7	-180	-177.2	56.6	178.5	171.5	0	111.9	D92 H93 L94 S98 E99 L100 V170 F174	D92-K96 WeakPolarHBondContact O-CB 3.3Å; D92-K96 PolarHBondContact O-N 3.06Å; H93-K96 WeakPolarHBondContact O-CA 3.28Å; H93-K96 WeakPolarHBondContact O-CB 3.5Å; H93-K96 PolarHBondContact O-N 3.31Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.49Å; K96-S98 VanDerWaalsContact C-N 3.3Å; K96-S98 PolarHBondContact O-N 2.92Å; K96-E99 IonicContact NZ-OE2 2.67Å; K96-E99 WeakPolarHBondContact O-CB 3.46Å; K96-E99 PolarHBondContact O-N 3.33Å; K96-L100 HydrophobicContact CG-CD1 4.43Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.23Å; K96-V170 HydrophobicContact CG-CG1 3.99Å; K96-F174 HydrophobicContact CB-CE2 3.88Å; K96-F174 HydrophobicContact CB-CZ 3.56Å; K96-F174 HydrophobicContact CG-CE2 3.98Å; K96-F174 HydrophobicContact CG-CZ 3.73Å
97	F	98.1	Very high	96.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69	-28.6	176	-79	-72.3	0	0	0	113.4	D56 H57 E60 H93 L94 E99 L100 M101 Y149 F174	D56-F97 HydrophobicContact CB-CD1 3.7Å; D56-F97 HydrophobicContact CB-CD2 4.13Å; D56-F97 HydrophobicContact CB-CE1 3.32Å; D56-F97 HydrophobicContact CB-CE2 3.73Å; D56-F97 HydrophobicContact CB-CG 4.1Å; D56-F97 HydrophobicContact CB-CZ 3.33Å; D56-F97 WeakPolarHBondContact OD2-CE1 3.34Å; D56-F97 WeakPolarHBondContact OD2-CZ 3.45Å; H57-F97 HydrophobicContact CB-CB 4.01Å; E60-F97 HydrophobicContact CG-CD2 3.57Å; E60-F97 HydrophobicContact CG-CE2 3.94Å; H93-F97 PolarHBondContact O-N 3.1Å; L94-F97 PolarHBondContact O-N 2.98Å; F97-E99 VanDerWaalsContact C-N 3.34Å; F97-L100 HydrophobicContact CD1-CD1 3.76Å; F97-L100 HydrophobicContact CE1-CD1 3.97Å; F97-L100 HydrophobicContact CG-CD1 4.49Å; F97-L100 PolarHBondContact O-N 3.18Å; F97-M101 WeakPolarHBondContact O-CG 3.18Å; F97-M101 PolarHBondContact O-N 3.48Å; F97-Y149 HydrophobicContact CE2-CE1 4.43Å; F97-Y149 WeakPolarHBondContact CE2-OH 3.48Å; F97-Y149 HydrophobicContact CZ-CE1 4.09Å; F97-F174 HydrophobicContact CD2-CD2 4.22Å; F97-F174 AromaticContact CD2-CE2 3.93Å; F97-F174 HydrophobicContact CD2-CE2 3.93Å; F97-F174 AromaticContact CE2-CD2 3.45Å; F97-F174 HydrophobicContact CE2-CD2 3.45Å; F97-F174 VanDerWaalsContact CE2-CD2 3.45Å; F97-F174 AromaticContact CE2-CE2 3.6Å; F97-F174 HydrophobicContact CE2-CE2 3.6Å; F97-F174 HydrophobicContact CZ-CD2 4.08Å; F97-F174 HydrophobicContact CZ-CE2 4.34Å
98	S	97.9	Very high	96.7	Very high	42 Å²	42	63 Å²	63	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-42.9	170.6	-59.8	0	0	0	0	111.4	H57 L94 K95 K96 M101 V102	H57-S98 PolarHBondContact NE2-OG 2.95Å; L94-S98 WeakPolarHBondContact O-CB 3.37Å; L94-S98 PolarHBondContact O-N 2.98Å; L94-S98 PolarHBondContact O-OG 3.29Å; K95-S98 WeakPolarHBondContact O-CB 3.19Å; K95-S98 PolarHBondContact O-N 3.45Å; K96-S98 VanDerWaalsContact C-N 3.3Å; K96-S98 PolarHBondContact O-N 2.92Å; S98-M101 PolarHBondContact O-N 3.12Å; S98-V102 WeakPolarHBondContact O-CG2 3.42Å; S98-V102 PolarHBondContact O-N 2.76Å
99	E	97.4	Very high	96.6	Very high	85 Å²	85	59.6 Å²	59.6	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-41.3	173.8	-67.3	170.3	-177.3	0	0	111.6	K95 K96 F97 V102 T103	K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CG 3.24Å; K95-E99 PolarHBondContact O-N 2.98Å; K96-E99 IonicContact NZ-OE2 2.67Å; K96-E99 WeakPolarHBondContact O-CB 3.46Å; K96-E99 PolarHBondContact O-N 3.33Å; F97-E99 VanDerWaalsContact C-N 3.34Å; E99-V102 PolarHBondContact O-N 2.77Å; E99-T103 WeakPolarHBondContact O-CB 3.36Å; E99-T103 PolarHBondContact O-N 3.36Å; E99-T103 PolarHBondContact O-OG1 3.09Å
100	L	96	Very high	96.6	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-41.5	176.5	-67.1	172.3	0	0	0	111.6	I53 K96 F97 V102 T103 F104 L167 V170	I53-L100 HydrophobicContact CD1-CB 4.15Å; I53-L100 HydrophobicContact CG1-CB 4.41Å; I53-L100 HydrophobicContact CG2-CB 4.16Å; K96-L100 HydrophobicContact CG-CD1 4.43Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.23Å; F97-L100 HydrophobicContact CD1-CD1 3.76Å; F97-L100 HydrophobicContact CE1-CD1 3.97Å; F97-L100 HydrophobicContact CG-CD1 4.49Å; F97-L100 PolarHBondContact O-N 3.18Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.09Å; L100-T103 PolarHBondContact O-N 3.18Å; L100-F104 HydrophobicContact CB-CD2 4.44Å; L100-F104 HydrophobicContact CD2-CD2 4.33Å; L100-F104 HydrophobicContact CD2-CE2 3.83Å; L100-F104 WeakPolarHBondContact O-CD2 3.31Å; L100-F104 PolarHBondContact O-N 3.21Å; L100-L167 HydrophobicContact CD1-CD1 4.38Å; L100-V170 HydrophobicContact CD1-CG1 4.3Å
101	M	95.8	Very high	96.5	Very high	25 Å²	25	64.4 Å²	64.4	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-55.7	-45	174.6	-78.9	-156.8	-50.4	0	0	111.8	I53 H57 F97 S98 R105 V106 P108	I53-M101 HydrophobicContact CG2-CB 4.39Å; I53-M101 HydrophobicContact CG2-CG 3.68Å; H57-M101 HydrophobicContact CB-CG 4.24Å; H57-M101 HydrophobicContact CB-SD 3.99Å; H57-M101 WeakPolarHBondContact CD2-CE 3.45Å; H57-M101 VanDerWaalsContact CE1-CE 3.49Å; H57-M101 WeakPolarHBondContact CE1-CE 3.48Å; H57-M101 VanDerWaalsContact CG-SD 3.55Å; H57-M101 WeakPolarHBondContact NE2-CE 3.42Å; F97-M101 WeakPolarHBondContact O-CG 3.18Å; F97-M101 PolarHBondContact O-N 3.48Å; S98-M101 PolarHBondContact O-N 3.12Å; M101-R105 CarbonylContact O-C 3.51Å; M101-R105 VanDerWaalsContact O-CA 3.24Å; M101-R105 WeakPolarHBondContact O-CA 3.44Å; M101-R105 PolarHBondContact O-N 3.15Å; M101-V106 HydrophobicContact CG-CB 4.4Å; M101-V106 PolarHBondContact O-N 2.87Å; M101-P108 HydrophobicContact CE-CB 4.38Å; M101-P108 HydrophobicContact SD-CB 3.95Å
102	V	95.7	Very high	96.4	Very high	117 Å²	117	62.2 Å²	62.2	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-45.5	177.4	176.1	0	0	0	0	111.1	S98 E99 L100 F104 R105	S98-V102 WeakPolarHBondContact O-CG2 3.42Å; S98-V102 PolarHBondContact O-N 2.76Å; E99-V102 PolarHBondContact O-N 2.77Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.09Å; V102-F104 PolarHBondContact O-N 3.18Å; V102-R105 PolarHBondContact O-N 3.32Å
103	T	91.5	Very high	96.3	Very high	61 Å²	61	61.7 Å²	61.7	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-45.8	-177.7	-59.3	0	0	0	0	111.7	F34 E99 L100	F34-T103 HydrophobicContact CZ-CG2 4.4Å; E99-T103 WeakPolarHBondContact O-CB 3.36Å; E99-T103 PolarHBondContact O-N 3.36Å; E99-T103 PolarHBondContact O-OG1 3.09Å; L100-T103 PolarHBondContact O-N 3.18Å
104	F	91.3	Very high	96.2	Very high	19 Å²	19	66.9 Å²	66.9	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-93.1	-0.9	-177.9	-70.1	-89.1	0	0	0	113.6	M39 L41 I44 V49 I53 L100 V102 V106	M39-F104 HydrophobicContact CE-CE1 4.04Å; M39-F104 HydrophobicContact CE-CE2 4.02Å; M39-F104 HydrophobicContact CE-CZ 3.37Å; M39-F104 HydrophobicContact SD-CE1 3.49Å; M39-F104 WeakPolarHBondContact SD-CE1 3.25Å; M39-F104 HydrophobicContact SD-CE2 4.42Å; M39-F104 HydrophobicContact SD-CZ 3.27Å; M39-F104 WeakPolarHBondContact SD-CZ 3.43Å; L41-F104 HydrophobicContact CD2-CD1 3.79Å; L41-F104 HydrophobicContact CD2-CE1 3.87Å; I44-F104 HydrophobicContact CD1-CE1 4.37Å; V49-F104 HydrophobicContact CG1-CD1 3.61Å; V49-F104 HydrophobicContact CG1-CE1 3.8Å; V49-F104 HydrophobicContact CG1-CG 4.02Å; V49-F104 HydrophobicContact CG1-CZ 4.35Å; I53-F104 HydrophobicContact CD1-CB 3.78Å; I53-F104 HydrophobicContact CD1-CD1 4.35Å; I53-F104 HydrophobicContact CD1-CD2 3.31Å; I53-F104 HydrophobicContact CD1-CE2 3.86Å; I53-F104 HydrophobicContact CD1-CG 3.56Å; L100-F104 HydrophobicContact CB-CD2 4.44Å; L100-F104 HydrophobicContact CD2-CD2 4.33Å; L100-F104 HydrophobicContact CD2-CE2 3.83Å; L100-F104 WeakPolarHBondContact O-CD2 3.31Å; L100-F104 PolarHBondContact O-N 3.21Å; V102-F104 PolarHBondContact O-N 3.18Å; F104-V106 HydrophobicContact CB-CG2 3.73Å; F104-V106 PolarHBondContact O-N 2.99Å
105	R	94.1	Very high	96	Very high	224 Å²	224	66.7 Å²	66.7	85%	0.845	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	35.8	-175.7	-55.5	-177.9	176.9	-178.3	-0.8	113.1	M101 V102	M101-R105 CarbonylContact O-C 3.51Å; M101-R105 VanDerWaalsContact O-CA 3.24Å; M101-R105 WeakPolarHBondContact O-CA 3.44Å; M101-R105 PolarHBondContact O-N 3.15Å; V102-R105 PolarHBondContact O-N 3.32Å
106	V	95.9	Very high	95.9	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-76.7	133.3	177.3	-178.8	0	0	0	0	108.9	D50 I53 R54 M101 F104	D50-V106 HydrophobicContact CB-CG2 4.37Å; D50-V106 WeakPolarHBondContact O-CG1 3.34Å; I53-V106 HydrophobicContact CB-CB 4.5Å; I53-V106 HydrophobicContact CB-CG1 4.4Å; I53-V106 HydrophobicContact CB-CG2 4.1Å; I53-V106 HydrophobicContact CD1-CG2 4.16Å; I53-V106 HydrophobicContact CG2-CB 4.07Å; I53-V106 HydrophobicContact CG2-CG1 4.24Å; I53-V106 HydrophobicContact CG2-CG2 4.05Å; R54-V106 HydrophobicContact CB-CG1 3.88Å; M101-V106 HydrophobicContact CG-CB 4.4Å; M101-V106 PolarHBondContact O-N 2.87Å; F104-V106 HydrophobicContact CB-CG2 3.73Å; F104-V106 PolarHBondContact O-N 2.99Å
107	R	95.9	Very high	96	Very high	196 Å²	196	66.2 Å²	66.2	74%	0.74	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-82.1	136.3	172.9	-66.7	-177.5	178.4	173.6	-0.8	109.4	R54	R54-R107 PolarHBondContact NE-O 3.01Å; R54-R107 PolarHBondContact NH1-O 3.18Å
108	P	96.3	Very high	95.9	Very high	63 Å²	63	69.9 Å²	69.9	41%	0.409	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-62.7	158.1	171.6	28.6	-34.7	0	0	0	110.2	M101 M112	M101-P108 HydrophobicContact CE-CB 4.38Å; M101-P108 HydrophobicContact SD-CB 3.95Å; P108-M112 HydrophobicContact CB-CG 4.21Å
109	T	96.7	Very high	96	Very high	4 Å²	4	68.2 Å²	68.2	3%	0.025	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-63.4	144.9	173.9	-175.3	0	0	0	0	111.2	A58 L111 M112 L217	A58-T109 HydrophobicContact CB-CG2 3.78Å; T109-L111 HydrophobicContact CG2-CB 4.24Å; T109-L111 PolarHBondContact O-N 3.41Å; T109-L111 PolarHBondContact OG1-N 3.36Å; T109-M112 HydrophobicContact CG2-CG 3.81Å; T109-M112 HydrophobicContact CG2-SD 4.12Å; T109-M112 WeakPolarHBondContact O-CG 3.39Å; T109-M112 PolarHBondContact O-N 3.4Å; T109-L217 VanDerWaalsContact CA-O 3.22Å; T109-L217 WeakPolarHBondContact CA-O 3.49Å; T109-L217 WeakPolarHBondContact CB-O 3.34Å; T109-L217 PolarHBondContact OG1-O 3.22Å
110	V	96.8	Very high	96	Very high	104 Å²	104	67.7 Å²	67.7	63%	0.63	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.1	174.3	-62.1	0	0	0	0	112.8	M112 P113 L217	V110-M112 VanDerWaalsContact C-N 3.27Å; V110-M112 PolarHBondContact O-N 3.2Å; V110-P113 WeakPolarHBondContact O-CD 3Å; V110-L217 HydrophobicContact CG2-CB 4.02Å
111	L	96.8	Very high	96.2	Very high	38 Å²	38	69.8 Å²	69.8	20%	0.199	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.9	-179.7	-62.2	-176.9	0	0	0	114.2	T109 P113 F114 W115 L213 L217	T109-L111 HydrophobicContact CG2-CB 4.24Å; T109-L111 PolarHBondContact O-N 3.41Å; T109-L111 PolarHBondContact OG1-N 3.36Å; L111-P113 VanDerWaalsContact C-CD 3.48Å; L111-F114 WeakPolarHBondContact O-CA 3.24Å; L111-F114 VanDerWaalsContact O-CB 3.31Å; L111-F114 WeakPolarHBondContact O-CB 3.49Å; L111-F114 PolarHBondContact O-N 2.91Å; L111-W115 HydrophobicContact CB-CD2 4.43Å; L111-W115 HydrophobicContact CB-CZ2 3.93Å; L111-W115 HydrophobicContact CD1-CH2 4.28Å; L111-W115 HydrophobicContact CD1-CZ2 3.49Å; L111-W115 VanDerWaalsContact CD1-CZ2 3.49Å; L111-W115 HydrophobicContact CG-CZ2 4.36Å; L111-W115 PolarHBondContact O-N 2.92Å; L111-L213 HydrophobicContact CD1-CB 3.63Å; L111-L213 HydrophobicContact CD1-CD1 4.3Å; L111-L217 HydrophobicContact CD1-CB 4.49Å; L111-L217 HydrophobicContact CD1-CD1 3.74Å; L111-L217 HydrophobicContact CD2-CD1 4.4Å; L111-L217 HydrophobicContact CG-CB 4.45Å; L111-L217 HydrophobicContact CG-CD1 4.15Å
112	M	95.6	Very high	96.3	Very high	28 Å²	28	71.3 Å²	71.3	14%	0.138	37%	0.368	C	S	.	.	H	α-helix	trans	-50.7	-44.6	-179.5	-74.4	-68.3	-65.4	0	0	114.6	A58 Y61 P108 T109 V110 F114 W115 N116	A58-M112 HydrophobicContact CB-SD 4.17Å; Y61-M112 HydrophobicContact CD1-CE 3.35Å; Y61-M112 HydrophobicContact CD1-SD 4.17Å; Y61-M112 HydrophobicContact CD2-CE 3.62Å; Y61-M112 HydrophobicContact CE1-CE 3.78Å; Y61-M112 HydrophobicContact CE2-CE 4.04Å; Y61-M112 HydrophobicContact CG-CE 3.24Å; Y61-M112 HydrophobicContact CG-SD 4.33Å; P108-M112 HydrophobicContact CB-CG 4.21Å; T109-M112 HydrophobicContact CG2-CG 3.81Å; T109-M112 HydrophobicContact CG2-SD 4.12Å; T109-M112 WeakPolarHBondContact O-CG 3.39Å; T109-M112 PolarHBondContact O-N 3.4Å; V110-M112 VanDerWaalsContact C-N 3.27Å; V110-M112 PolarHBondContact O-N 3.2Å; M112-F114 PolarHBondContact O-N 2.91Å; M112-W115 PolarHBondContact O-N 3.27Å; M112-N116 PolarHBondContact O-N 3.02Å
113	P	96.6	Very high	96.4	Very high	93 Å²	93	65.8 Å²	65.8	60%	0.604	34%	0.335	S	S	*	.	H	α-helix	trans	-63.2	-29.9	177.4	-22.4	34.8	0	0	0	113.3	V110 L111 N116	V110-P113 WeakPolarHBondContact O-CD 3Å; L111-P113 VanDerWaalsContact C-CD 3.48Å; P113-N116 WeakPolarHBondContact O-CB 3.35Å
114	F	96.1	Very high	96.8	Very high	110 Å²	110	63.6 Å²	63.6	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-74	-45.4	177.3	-177.5	-112.9	0	0	0	110.9	L111 M112 N116 V117 L118	L111-F114 WeakPolarHBondContact O-CA 3.24Å; L111-F114 VanDerWaalsContact O-CB 3.31Å; L111-F114 WeakPolarHBondContact O-CB 3.49Å; L111-F114 PolarHBondContact O-N 2.91Å; M112-F114 PolarHBondContact O-N 2.91Å; F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 2.83Å; F114-V117 PolarHBondContact O-N 2.99Å; F114-V117 VanDerWaalsContact O-N 3.17Å; F114-L118 HydrophobicContact CD1-CD1 3.83Å; F114-L118 HydrophobicContact CD1-CG 4.38Å; F114-L118 HydrophobicContact CD2-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.17Å; F114-L118 HydrophobicContact CE1-CG 4.03Å; F114-L118 HydrophobicContact CE2-CD1 4Å; F114-L118 HydrophobicContact CE2-CD2 4.5Å; F114-L118 HydrophobicContact CE2-CG 4.08Å; F114-L118 HydrophobicContact CG-CD1 4.48Å; F114-L118 HydrophobicContact CZ-CD1 3.28Å; F114-L118 HydrophobicContact CZ-CD2 4.39Å; F114-L118 HydrophobicContact CZ-CG 3.88Å; F114-L118 PolarHBondContact O-N 3.23Å
115	W	95.3	Very high	97.1	Very high	24 Å²	24	64.3 Å²	64.3	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-33.5	174.5	-54.2	149.2	0	0	0	113	L111 M112 V117 L118 G119 A210 L213 S214	L111-W115 HydrophobicContact CB-CD2 4.43Å; L111-W115 HydrophobicContact CB-CZ2 3.93Å; L111-W115 HydrophobicContact CD1-CH2 4.28Å; L111-W115 HydrophobicContact CD1-CZ2 3.49Å; L111-W115 VanDerWaalsContact CD1-CZ2 3.49Å; L111-W115 HydrophobicContact CG-CZ2 4.36Å; L111-W115 PolarHBondContact O-N 2.92Å; M112-W115 PolarHBondContact O-N 3.27Å; W115-V117 VanDerWaalsContact C-N 3.3Å; W115-V117 PolarHBondContact O-N 3.01Å; W115-L118 HydrophobicContact CE3-CD1 4.12Å; W115-L118 HydrophobicContact CZ3-CD1 3.92Å; W115-G119 PolarHBondContact O-N 3.08Å; W115-A210 HydrophobicContact CH2-CB 3.88Å; W115-A210 HydrophobicContact CZ2-CB 4.08Å; W115-A210 HydrophobicContact CZ3-CB 4.13Å; W115-L213 HydrophobicContact CH2-CD1 4.22Å; W115-L213 HydrophobicContact CZ2-CB 4.37Å; W115-S214 PolarHBondContact NE1-OG 3.21Å
116	N	97.1	Very high	97.3	Very high	48 Å²	48	54 Å²	54	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-55.5	-43.6	173.7	178.7	47.5	0	0	0	113.2	Y61 R65 M112 P113 F114	Y61-N116 HydrophobicContact CE1-CB 3.77Å; Y61-N116 PolarHBondContact OH-OD1 2.92Å; R65-N116 VanDerWaalsContact CD-OD1 3.24Å; R65-N116 WeakPolarHBondContact CD-OD1 3.49Å; R65-N116 PolarHBondContact NE-O 3Å; R65-N116 PolarHBondContact NE-OD1 3.45Å; R65-N116 PolarHBondContact NH2-O 2.81Å; R65-N116 PolarHBondContact NH2-OD1 3.22Å; M112-N116 PolarHBondContact O-N 3.02Å; P113-N116 WeakPolarHBondContact O-CB 3.35Å; F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 2.83Å
117	V	98.3	Very high	97.5	Very high	91 Å²	91	53.6 Å²	53.6	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-81.4	-48.2	-177.3	177.4	0	0	0	0	110.1	F114 W115 F120 A121	F114-V117 PolarHBondContact O-N 2.99Å; F114-V117 VanDerWaalsContact O-N 3.17Å; W115-V117 VanDerWaalsContact C-N 3.3Å; W115-V117 PolarHBondContact O-N 3.01Å; V117-F120 PolarHBondContact O-N 3.02Å; V117-A121 WeakPolarHBondContact O-CB 3.38Å; V117-A121 PolarHBondContact O-N 2.94Å
118	L	97.9	Very high	97.6	Very high	78 Å²	78	50.5 Å²	50.5	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-44.2	-178.2	-77.5	-167.1	0	0	0	112.9	F114 W115 F120 A121 L122	F114-L118 HydrophobicContact CD1-CD1 3.83Å; F114-L118 HydrophobicContact CD1-CG 4.38Å; F114-L118 HydrophobicContact CD2-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.17Å; F114-L118 HydrophobicContact CE1-CG 4.03Å; F114-L118 HydrophobicContact CE2-CD1 4Å; F114-L118 HydrophobicContact CE2-CD2 4.5Å; F114-L118 HydrophobicContact CE2-CG 4.08Å; F114-L118 HydrophobicContact CG-CD1 4.48Å; F114-L118 HydrophobicContact CZ-CD1 3.28Å; F114-L118 HydrophobicContact CZ-CD2 4.39Å; F114-L118 HydrophobicContact CZ-CG 3.88Å; F114-L118 PolarHBondContact O-N 3.23Å; W115-L118 HydrophobicContact CE3-CD1 4.12Å; W115-L118 HydrophobicContact CZ3-CD1 3.92Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 2.89Å; L118-A121 PolarHBondContact O-N 3.45Å; L118-L122 VanDerWaalsContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CB 3.27Å; L118-L122 PolarHBondContact O-N 3.28Å
119	G	98.4	Very high	97.6	Very high	7 Å²	7	51.9 Å²	51.9	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-47.8	178.6	0	0	0	0	0	111	I66 W115 A121 L122 G123	I66-G119 VanDerWaalsContact CA-O 3.27Å; I66-G119 WeakPolarHBondContact CA-O 3.33Å; I66-G119 WeakPolarHBondContact CG1-O 3.34Å; W115-G119 PolarHBondContact O-N 3.08Å; G119-A121 PolarHBondContact O-N 3.37Å; G119-L122 PolarHBondContact O-N 3.23Å; G119-G123 PolarHBondContact O-N 3.32Å
120	F	98.8	Very high	97.7	Very high	73 Å²	73	52.8 Å²	52.8	32%	0.32	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-45.3	177	-176.1	-87.5	0	0	0	113.1	R65 A68 A72 V117 L118 L122 G123 A124	R65-F120 VanDerWaalsContact NH2-CB 3.26Å; R65-F120 VanDerWaalsContact O-CA 3.27Å; R65-F120 WeakPolarHBondContact O-CA 3.15Å; A68-F120 HydrophobicContact CB-CD2 4.19Å; A68-F120 HydrophobicContact CB-CE2 4.5Å; A72-F120 HydrophobicContact CB-CE2 4.26Å; A72-F120 HydrophobicContact CB-CZ 4.03Å; V117-F120 PolarHBondContact O-N 3.02Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 2.89Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.1Å; F120-G123 PolarHBondContact O-N 3.13Å; F120-A124 HydrophobicContact CE1-CB 4.29Å; F120-A124 VanDerWaalsContact O-CB 3.32Å; F120-A124 WeakPolarHBondContact O-CB 3.42Å; F120-A124 PolarHBondContact O-N 3.17Å
121	A	98.8	Very high	97.7	Very high	53 Å²	53	50.4 Å²	50.4	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-41	179	0	0	0	0	0	111.7	V117 L118 G119 G125	V117-A121 WeakPolarHBondContact O-CB 3.38Å; V117-A121 PolarHBondContact O-N 2.94Å; L118-A121 PolarHBondContact O-N 3.45Å; G119-A121 PolarHBondContact O-N 3.37Å; A121-G125 WeakPolarHBondContact O-CA 3.41Å; A121-G125 PolarHBondContact O-N 3.22Å
122	L	98.7	Very high	97.8	Very high	58 Å²	58	51.2 Å²	51.2	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-49.4	175.3	176.3	61.8	0	0	0	111.3	I66 L118 G119 F120 G125 T126 I203	I66-L122 HydrophobicContact CD1-CD2 3.98Å; I66-L122 HydrophobicContact CG1-CD2 4.36Å; L118-L122 VanDerWaalsContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CB 3.27Å; L118-L122 PolarHBondContact O-N 3.28Å; G119-L122 PolarHBondContact O-N 3.23Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.1Å; L122-G125 PolarHBondContact O-N 3.03Å; L122-T126 HydrophobicContact CD1-CG2 3.92Å; L122-T126 WeakPolarHBondContact O-CB 3.49Å; L122-T126 WeakPolarHBondContact O-CG2 3.41Å; L122-T126 PolarHBondContact O-N 3.24Å; L122-T126 PolarHBondContact O-OG1 3.19Å; L122-I203 HydrophobicContact CD1-CD1 4.13Å; L122-I203 HydrophobicContact CD1-CG1 4.04Å; L122-I203 HydrophobicContact CD2-CG2 4.31Å
123	G	98.7	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-46.1	179.4	0	0	0	0	0	113.2	I66 Q70 G119 F120 T126 A127	I66-G123 WeakPolarHBondContact O-CA 3.18Å; Q70-G123 WeakPolarHBondContact CG-O 3.46Å; G119-G123 PolarHBondContact O-N 3.32Å; F120-G123 PolarHBondContact O-N 3.13Å; G123-T126 PolarHBondContact O-OG1 3.4Å; G123-A127 WeakPolarHBondContact O-CB 3.4Å; G123-A127 PolarHBondContact O-N 2.81Å
124	A	98.8	Very high	98	Very high	15 Å²	15	45.5 Å²	45.5	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-43.6	176.1	0	0	0	0	0	111.6	G69 V73 F120 T126 A127 L128	G69-A124 WeakPolarHBondContact O-CA 3.22Å; V73-A124 HydrophobicContact CG2-CB 4.16Å; F120-A124 HydrophobicContact CE1-CB 4.29Å; F120-A124 VanDerWaalsContact O-CB 3.32Å; F120-A124 WeakPolarHBondContact O-CB 3.42Å; F120-A124 PolarHBondContact O-N 3.17Å; A124-T126 PolarHBondContact O-N 2.98Å; A124-A127 PolarHBondContact O-N 3.28Å; A124-L128 WeakPolarHBondContact O-CG 3.48Å; A124-L128 PolarHBondContact O-N 2.75Å
125	G	98.5	Very high	98.2	Very high	35 Å²	35	40.2 Å²	40.2	36%	0.361	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-43.4	-179.1	0	0	0	0	0	112.9	A121 L122 L128	A121-G125 WeakPolarHBondContact O-CA 3.41Å; A121-G125 PolarHBondContact O-N 3.22Å; L122-G125 PolarHBondContact O-N 3.03Å; G125-L128 PolarHBondContact O-N 3.44Å
126	T	98.5	Very high	98.3	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-71.4	-35.2	176.9	53.2	0	0	0	0	112	L122 G123 A124 L128 L129 G133 A134 C137 L199 I203	L122-T126 HydrophobicContact CD1-CG2 3.92Å; L122-T126 WeakPolarHBondContact O-CB 3.49Å; L122-T126 WeakPolarHBondContact O-CG2 3.41Å; L122-T126 PolarHBondContact O-N 3.24Å; L122-T126 PolarHBondContact O-OG1 3.19Å; G123-T126 PolarHBondContact O-OG1 3.4Å; A124-T126 PolarHBondContact O-N 2.98Å; T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 3.19Å; T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.38Å; T126-L129 PolarHBondContact O-N 3.1Å; T126-L129 VanDerWaalsContact O-N 3.08Å; T126-G133 CarbonylContact O-C 3.41Å; T126-A134 PolarHBondContact O-N 2.85Å; T126-C137 HydrophobicContact CG2-CB 3.79Å; T126-C137 WeakPolarHBondContact OG1-CB 3.36Å; T126-L199 HydrophobicContact CG2-CD1 4.41Å; T126-I203 HydrophobicContact CG2-CD1 4.27Å
127	A	98.4	Very high	98.4	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-26.9	174	0	0	0	0	0	114	Q70 V73 L74 G123 A124 L129 G130 A134	Q70-A127 HydrophobicContact CB-CB 4.34Å; Q70-A127 HydrophobicContact CG-CB 4.32Å; V73-A127 HydrophobicContact CB-CB 3.77Å; V73-A127 HydrophobicContact CG1-CB 4.07Å; V73-A127 HydrophobicContact CG2-CB 4.21Å; L74-A127 HydrophobicContact CD1-CB 3.72Å; L74-A127 HydrophobicContact CG-CB 3.96Å; G123-A127 WeakPolarHBondContact O-CB 3.4Å; G123-A127 PolarHBondContact O-N 2.81Å; A124-A127 PolarHBondContact O-N 3.28Å; A127-L129 PolarHBondContact O-N 3Å; A127-G130 PolarHBondContact O-N 2.61Å; A127-A134 HydrophobicContact CB-CB 4.16Å
128	L	98.3	Very high	98.4	Very high	130 Å²	130	32.5 Å²	32.5	68%	0.681	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.5	170.6	-73.3	169.9	0	0	0	112.7	V73 A124 G125 T126 G130	V73-L128 HydrophobicContact CG1-CD2 3.95Å; V73-L128 HydrophobicContact CG1-CG 4.33Å; V73-L128 HydrophobicContact CG2-CD2 4.33Å; V73-L128 HydrophobicContact CG2-CG 4.29Å; A124-L128 WeakPolarHBondContact O-CG 3.48Å; A124-L128 PolarHBondContact O-N 2.75Å; G125-L128 PolarHBondContact O-N 3.44Å; T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 3.19Å; L128-G130 PolarHBondContact O-N 2.85Å
129	L	96.8	Very high	98.5	Very high	93 Å²	93	28.8 Å²	28.8	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.7	171.1	-54.6	176.4	0	0	0	112.7	T126 A127	T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.38Å; T126-L129 PolarHBondContact O-N 3.1Å; T126-L129 VanDerWaalsContact O-N 3.08Å; A127-L129 PolarHBondContact O-N 3Å
130	G	97.9	Very high	98.5	Very high	23 Å²	23	28.5 Å²	28.5	24%	0.237	17%	0.167	C	C	.	.			trans	99.7	-173.9	-179.3	0	0	0	0	0	113.4	A127 L128 E132 G133 A134	A127-G130 PolarHBondContact O-N 2.61Å; L128-G130 PolarHBondContact O-N 2.85Å; G130-E132 VanDerWaalsContact C-N 3.34Å; G130-E132 PolarHBondContact O-N 3.21Å; G130-G133 PolarHBondContact O-N 3.29Å; G130-A134 PolarHBondContact O-N 3.05Å; G130-A134 VanDerWaalsContact O-N 3.11Å
131	K	98.1	Very high	98.5	Very high	53 Å²	53	25.2 Å²	25.2	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-48.8	179.6	177.1	-159.3	67.3	-179.2	0	110.4	V79 G133 A134 M135 H188 D189	V79-K131 HydrophobicContact CB-CD 4.31Å; V79-K131 HydrophobicContact CB-CG 3.94Å; V79-K131 HydrophobicContact CG1-CB 4.3Å; V79-K131 HydrophobicContact CG1-CG 3.99Å; V79-K131 HydrophobicContact CG2-CD 4.3Å; V79-K131 HydrophobicContact CG2-CG 3.87Å; K131-G133 VanDerWaalsContact C-N 3.31Å; K131-G133 PolarHBondContact O-N 2.88Å; K131-A134 PolarHBondContact O-N 3.22Å; K131-M135 HydrophobicContact CG-CG 4.32Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.45Å; K131-M135 PolarHBondContact O-N 2.98Å; K131-H188 VanDerWaalsContact CE-O 3.27Å; K131-H188 WeakPolarHBondContact CE-O 3.46Å; K131-D189 IonicContact NZ-OD2 2.62Å; K131-D189 PolarHBondContact NZ-OD2 2.99Å
132	E	98.4	Very high	98.4	Very high	56 Å²	56	22.8 Å²	22.8	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-59.3	-43.4	-177.8	-62.9	69.8	-158.1	0	0	110.4	G130 M135 A136 D189 L192 A193	G130-E132 VanDerWaalsContact C-N 3.34Å; G130-E132 PolarHBondContact O-N 3.21Å; E132-M135 PolarHBondContact O-N 3.19Å; E132-A136 VanDerWaalsContact O-CB 3.3Å; E132-A136 WeakPolarHBondContact O-CB 3.48Å; E132-A136 PolarHBondContact O-N 3.28Å; E132-D189 HydrophobicContact CG-CB 4.1Å; E132-D189 WeakPolarHBondContact CG-O 3.31Å; E132-L192 HydrophobicContact CG-CB 3.87Å; E132-A193 HydrophobicContact CB-CB 4.18Å
133	G	98.6	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.9	0	0	0	0	0	113.6	T126 G130 K131 A136 C137	T126-G133 CarbonylContact O-C 3.41Å; G130-G133 PolarHBondContact O-N 3.29Å; K131-G133 VanDerWaalsContact C-N 3.31Å; K131-G133 PolarHBondContact O-N 2.88Å; G133-A136 PolarHBondContact O-N 2.85Å; G133-C137 PolarHBondContact O-N 3.44Å
134	A	98.6	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-46.7	173.9	0	0	0	0	0	111.6	Q70 L74 T126 A127 G130 K131 A136 C137 T138	Q70-A134 HydrophobicContact CG-CB 4.17Å; Q70-A134 PolarHBondContact NE2-O 3.08Å; L74-A134 HydrophobicContact CD1-CB 3.57Å; T126-A134 PolarHBondContact O-N 2.85Å; A127-A134 HydrophobicContact CB-CB 4.16Å; G130-A134 PolarHBondContact O-N 3.05Å; G130-A134 VanDerWaalsContact O-N 3.11Å; K131-A134 PolarHBondContact O-N 3.22Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 2.99Å; A134-C137 VanDerWaalsContact O-CB 3.28Å; A134-C137 WeakPolarHBondContact O-CB 3.41Å; A134-C137 PolarHBondContact O-N 3.1Å; A134-C137 VanDerWaalsContact O-N 3.14Å; A134-T138 PolarHBondContact O-N 3.43Å; A134-T138 PolarHBondContact O-OG1 3.46Å
135	M	98.6	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-36	179.8	-64.2	-60.7	99.7	0	0	111.9	V79 I83 M86 K131 E132 C137 T138 V139 H188 A190	V79-M135 HydrophobicContact CG2-CE 4.38Å; I83-M135 HydrophobicContact CD1-CE 4.08Å; I83-M135 HydrophobicContact CG1-CE 3.68Å; M86-M135 HydrophobicContact CE-CE 4.12Å; M86-M135 HydrophobicContact CE-SD 4.3Å; K131-M135 HydrophobicContact CG-CG 4.32Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.45Å; K131-M135 PolarHBondContact O-N 2.98Å; E132-M135 PolarHBondContact O-N 3.19Å; M135-C137 VanDerWaalsContact C-N 3.3Å; M135-C137 PolarHBondContact O-N 2.78Å; M135-T138 PolarHBondContact O-N 3.08Å; M135-V139 WeakPolarHBondContact O-CG2 3.47Å; M135-V139 PolarHBondContact O-N 3.36Å; M135-H188 HydrophobicContact CG-CB 3.68Å; M135-H188 HydrophobicContact SD-CB 3.79Å; M135-A190 HydrophobicContact CB-CB 3.84Å
136	A	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-37.5	171.9	0	0	0	0	0	112.7	E132 G133 A134 A140 A190 A193 Y196 L199	E132-A136 VanDerWaalsContact O-CB 3.3Å; E132-A136 WeakPolarHBondContact O-CB 3.48Å; E132-A136 PolarHBondContact O-N 3.28Å; G133-A136 PolarHBondContact O-N 2.85Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 2.99Å; A136-A140 WeakPolarHBondContact O-CB 3.14Å; A136-A140 PolarHBondContact O-N 2.94Å; A136-A190 HydrophobicContact CB-CB 4.44Å; A136-A193 HydrophobicContact CB-CB 3.61Å; A136-Y196 HydrophobicContact CB-CD2 3.65Å; A136-Y196 HydrophobicContact CB-CE2 3.86Å; A136-L199 HydrophobicContact CB-CD2 4.01Å
137	C	98.7	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-48.6	172.7	-173.9	0	0	0	0	111.3	T126 G133 A134 M135 A140 V141 I203	T126-C137 HydrophobicContact CG2-CB 3.79Å; T126-C137 WeakPolarHBondContact OG1-CB 3.36Å; G133-C137 PolarHBondContact O-N 3.44Å; A134-C137 VanDerWaalsContact O-CB 3.28Å; A134-C137 WeakPolarHBondContact O-CB 3.41Å; A134-C137 PolarHBondContact O-N 3.1Å; A134-C137 VanDerWaalsContact O-N 3.14Å; M135-C137 VanDerWaalsContact C-N 3.3Å; M135-C137 PolarHBondContact O-N 2.78Å; C137-A140 PolarHBondContact O-N 3.13Å; C137-V141 WeakPolarHBondContact O-CB 3.47Å; C137-V141 VanDerWaalsContact O-CG2 3.25Å; C137-V141 WeakPolarHBondContact O-CG2 3.32Å; C137-V141 PolarHBondContact O-N 2.67Å; C137-I203 HydrophobicContact CB-CD1 4.1Å
138	T	98.5	Very high	98.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-54.8	176.6	-64.4	0	0	0	0	110.2	Q70 M86 A134 M135 A140 V141 E142	Q70-T138 PolarHBondContact NE2-OG1 3.06Å; M86-T138 HydrophobicContact CE-CG2 4.39Å; M86-T138 HydrophobicContact SD-CG2 4.2Å; A134-T138 PolarHBondContact O-N 3.43Å; A134-T138 PolarHBondContact O-OG1 3.46Å; M135-T138 PolarHBondContact O-N 3.08Å; T138-A140 VanDerWaalsContact C-N 3.3Å; T138-A140 PolarHBondContact O-N 3.35Å; T138-V141 PolarHBondContact O-N 2.67Å; T138-V141 VanDerWaalsContact O-N 3.1Å; T138-E142 HydrophobicContact CG2-CG 3.84Å; T138-E142 VanDerWaalsContact O-CG 3.27Å; T138-E142 WeakPolarHBondContact O-CG 3.38Å; T138-E142 PolarHBondContact O-N 2.98Å
139	V	98.8	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-51.6	-47	177	167.4	0	0	0	0	112.6	M135 E143 H182 L186 A190 Y196	M135-V139 WeakPolarHBondContact O-CG2 3.47Å; M135-V139 PolarHBondContact O-N 3.36Å; V139-E143 VanDerWaalsContact O-CB 3.25Å; V139-E143 WeakPolarHBondContact O-CB 3.46Å; V139-E143 PolarHBondContact O-N 3.4Å; V139-E143 VanDerWaalsContact O-N 3.12Å; V139-H182 WeakPolarHBondContact CG2-O 3.37Å; V139-L186 HydrophobicContact CG1-CD2 4.15Å; V139-L186 HydrophobicContact CG2-CD2 3.97Å; V139-L186 HydrophobicContact CG2-CG 4.03Å; V139-A190 HydrophobicContact CB-CB 4.41Å; V139-A190 HydrophobicContact CG2-CB 3.66Å; V139-Y196 WeakPolarHBondContact CG1-OH 3.22Å
140	A	98.7	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.7	-39.4	-178.6	0	0	0	0	0	113.1	A136 C137 T138 S144 K200 I203 Q204	A136-A140 WeakPolarHBondContact O-CB 3.14Å; A136-A140 PolarHBondContact O-N 2.94Å; C137-A140 PolarHBondContact O-N 3.13Å; T138-A140 VanDerWaalsContact C-N 3.3Å; T138-A140 PolarHBondContact O-N 3.35Å; A140-S144 PolarHBondContact O-N 3.46Å; A140-S144 PolarHBondContact O-OG 2.98Å; A140-K200 HydrophobicContact CB-CB 4.31Å; A140-K200 HydrophobicContact CB-CG 3.87Å; A140-I203 HydrophobicContact CB-CB 3.81Å; A140-I203 HydrophobicContact CB-CD1 4.35Å; A140-I203 HydrophobicContact CB-CG2 3.64Å; A140-Q204 HydrophobicContact CB-CG 4.21Å; A140-Q204 WeakPolarHBondContact O-CG 3.46Å
141	V	98.5	Very high	98.4	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-73.5	-51.7	-179.3	173.6	0	0	0	0	110.1	I66 C137 T138 E143 S144 I145 I203	I66-V141 HydrophobicContact CD1-CG1 4.23Å; I66-V141 HydrophobicContact CD1-CG2 3.86Å; C137-V141 WeakPolarHBondContact O-CB 3.47Å; C137-V141 VanDerWaalsContact O-CG2 3.25Å; C137-V141 WeakPolarHBondContact O-CG2 3.32Å; C137-V141 PolarHBondContact O-N 2.67Å; T138-V141 PolarHBondContact O-N 2.67Å; T138-V141 VanDerWaalsContact O-N 3.1Å; V141-E143 VanDerWaalsContact C-N 3.32Å; V141-E143 PolarHBondContact O-N 3.36Å; V141-S144 CarbonylContact O-C 3.54Å; V141-S144 WeakPolarHBondContact O-CA 3.23Å; V141-S144 VanDerWaalsContact O-CB 3.25Å; V141-S144 WeakPolarHBondContact O-CB 3.5Å; V141-S144 PolarHBondContact O-N 2.93Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.39Å; V141-I145 PolarHBondContact O-N 2.83Å; V141-I203 HydrophobicContact CG2-CG2 3.7Å
142	E	98	Very high	98.3	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-67.4	-34.7	-174.9	-50.2	-32.7	159.5	0	0	111.9	Y67 T138 S144 I145 A146 E178 H181 H182	Y67-E142 PolarHBondContact OH-OE1 3.11Å; T138-E142 HydrophobicContact CG2-CG 3.84Å; T138-E142 VanDerWaalsContact O-CG 3.27Å; T138-E142 WeakPolarHBondContact O-CG 3.38Å; T138-E142 PolarHBondContact O-N 2.98Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 2.91Å; E142-I145 PolarHBondContact O-N 2.67Å; E142-A146 WeakPolarHBondContact O-CB 3.47Å; E142-A146 PolarHBondContact O-N 3.23Å; E142-E178 HydrophobicContact CB-CB 4.34Å; E142-E178 WeakPolarHBondContact CB-O 3.46Å; E142-E178 VanDerWaalsContact OE2-OE2 3.09Å; E142-H181 HydrophobicContact CG-CB 3.72Å; E142-H182 HydrophobicContact CB-CB 4.12Å
143	E	98.5	Very high	98.3	Very high	70 Å²	70	17.2 Å²	17.2	33%	0.327	9%	0.086	S	C	.	.	H	α-helix	trans	-62.3	-37.9	170.7	-171.4	-179.1	-179.7	0	0	111.6	V139 V141 H147 K200 Q204	V139-E143 VanDerWaalsContact O-CB 3.25Å; V139-E143 WeakPolarHBondContact O-CB 3.46Å; V139-E143 PolarHBondContact O-N 3.4Å; V139-E143 VanDerWaalsContact O-N 3.12Å; V141-E143 VanDerWaalsContact C-N 3.32Å; V141-E143 PolarHBondContact O-N 3.36Å; E143-H147 WeakPolarHBondContact O-CB 3.34Å; E143-H147 PolarHBondContact O-N 2.97Å; E143-K200 IonicContact OE1-NZ 3.19Å; E143-K200 WeakPolarHBondContact OE2-CE 3.25Å; E143-K200 IonicContact OE2-NZ 3.59Å; E143-K200 PolarHBondContact OE2-NZ 2.89Å; E143-Q204 PolarHBondContact OE2-NE2 3.43Å
144	S	98.4	Very high	98.3	Very high	12 Å²	12	24.1 Å²	24.1	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-68.4	-41.8	177.7	-59.1	0	0	0	0	111.9	A140 V141 E142 H148 Q204	A140-S144 PolarHBondContact O-N 3.46Å; A140-S144 PolarHBondContact O-OG 2.98Å; V141-S144 CarbonylContact O-C 3.54Å; V141-S144 WeakPolarHBondContact O-CA 3.23Å; V141-S144 VanDerWaalsContact O-CB 3.25Å; V141-S144 WeakPolarHBondContact O-CB 3.5Å; V141-S144 PolarHBondContact O-N 2.93Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 2.91Å; S144-H148 WeakPolarHBondContact O-CB 3.35Å; S144-H148 PolarHBondContact O-N 3.39Å; S144-Q204 WeakPolarHBondContact OG-CG 3.49Å
145	I	97.8	Very high	98.1	Very high	18 Å²	18	28 Å²	28	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-48.8	178	-62.8	178.2	0	0	0	109.9	A63 V141 E142 H147 H148 Y149 E178	A63-I145 HydrophobicContact CB-CD1 4.3Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.39Å; V141-I145 PolarHBondContact O-N 2.83Å; E142-I145 PolarHBondContact O-N 2.67Å; I145-H147 VanDerWaalsContact C-N 3.28Å; I145-H147 PolarHBondContact O-N 3.07Å; I145-H148 CarbonylContact O-C 3.49Å; I145-H148 WeakPolarHBondContact O-CA 3.27Å; I145-H148 VanDerWaalsContact O-CB 3.32Å; I145-H148 WeakPolarHBondContact O-CB 3.44Å; I145-H148 PolarHBondContact O-N 3.09Å; I145-Y149 HydrophobicContact CG2-CD2 3.77Å; I145-Y149 HydrophobicContact CG2-CE2 3.38Å; I145-Y149 PolarHBondContact O-N 3.41Å; I145-E178 HydrophobicContact CB-CG 4.26Å; I145-E178 HydrophobicContact CG2-CG 3.75Å
146	A	98	Very high	97.9	Very high	2 Å²	2	28 Å²	28	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-39.1	175.9	0	0	0	0	0	112.3	E142 N150 R175 E178 L179	E142-A146 WeakPolarHBondContact O-CB 3.47Å; E142-A146 PolarHBondContact O-N 3.23Å; A146-N150 WeakPolarHBondContact O-CB 3.4Å; A146-N150 PolarHBondContact O-N 3.18Å; A146-N150 PolarHBondContact O-ND2 2.88Å; A146-R175 HydrophobicContact CB-CG 4.27Å; A146-E178 HydrophobicContact CB-CB 4.08Å; A146-L179 HydrophobicContact CB-CD2 3.86Å; A146-L179 HydrophobicContact CB-CG 4.05Å
147	H	98.2	Very high	97.7	Very high	105 Å²	105	32.9 Å²	32.9	49%	0.486	15%	0.153	S	C	.	.	H	α-helix	trans	-64	-41.7	173	-175.5	80.9	0	0	0	111.8	E143 I145 N150 N151	E143-H147 WeakPolarHBondContact O-CB 3.34Å; E143-H147 PolarHBondContact O-N 2.97Å; I145-H147 VanDerWaalsContact C-N 3.28Å; I145-H147 PolarHBondContact O-N 3.07Å; H147-N150 PolarHBondContact O-N 3.35Å; H147-N151 PolarHBondContact CD2-ND2 2.75Å; H147-N151 VanDerWaalsContact CD2-ND2 3.31Å; H147-N151 PolarHBondContact NE2-ND2 3.36Å; H147-N151 VanDerWaalsContact NE2-ND2 3.12Å; H147-N151 PolarHBondContact O-N 3.42Å; H147-N151 VanDerWaalsContact O-N 3.14Å; H147-N151 PolarHBondContact O-ND2 2.97Å
148	H	98.1	Very high	97.4	Very high	21 Å²	21	40.6 Å²	40.6	10%	0.097	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-48.9	175.7	-171.7	64.1	0	0	0	111.8	V55 D56 S144 I145 N150 N151 Q152 I211 E215	V55-H148 WeakPolarHBondContact CG1-NE2 3.41Å; D56-H148 IonicContact OD1-CD2 3.97Å; D56-H148 IonicContact OD1-NE2 3.93Å; S144-H148 WeakPolarHBondContact O-CB 3.35Å; S144-H148 PolarHBondContact O-N 3.39Å; I145-H148 CarbonylContact O-C 3.49Å; I145-H148 WeakPolarHBondContact O-CA 3.27Å; I145-H148 VanDerWaalsContact O-CB 3.32Å; I145-H148 WeakPolarHBondContact O-CB 3.44Å; I145-H148 PolarHBondContact O-N 3.09Å; H148-N150 VanDerWaalsContact C-N 3.32Å; H148-N150 PolarHBondContact O-N 3.2Å; H148-N151 WeakPolarHBondContact O-CB 3.3Å; H148-N151 PolarHBondContact O-N 2.93Å; H148-Q152 PolarHBondContact CD2-NE2 3.04Å; H148-Q152 PolarHBondContact NE2-NE2 2.88Å; H148-Q152 WeakPolarHBondContact O-CG 3.34Å; H148-Q152 PolarHBondContact O-N 3.47Å; H148-I211 HydrophobicContact CB-CD1 4.02Å; H148-I211 VanDerWaalsContact CE1-CG2 3.44Å; H148-I211 WeakPolarHBondContact CE1-CG2 3.48Å; H148-I211 WeakPolarHBondContact ND1-CG2 3.34Å; H148-E215 IonicContact CE1-OE1 3.73Å
149	Y	98.4	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-41.1	175.8	-73.4	-35.9	0	0	0	112.8	D56 E60 F97 I145 N151 Q152 I153 I171 F174 R175 E178	D56-Y149 HydrophobicContact CB-CE1 4.28Å; E60-Y149 VanDerWaalsContact CD-OH 3.27Å; E60-Y149 PolarHBondContact OE1-OH 3.38Å; F97-Y149 HydrophobicContact CE2-CE1 4.43Å; F97-Y149 WeakPolarHBondContact CE2-OH 3.48Å; F97-Y149 HydrophobicContact CZ-CE1 4.09Å; I145-Y149 HydrophobicContact CG2-CD2 3.77Å; I145-Y149 HydrophobicContact CG2-CE2 3.38Å; I145-Y149 PolarHBondContact O-N 3.41Å; Y149-N151 VanDerWaalsContact C-N 3.29Å; Y149-N151 PolarHBondContact O-N 3.2Å; Y149-Q152 PolarHBondContact O-N 3.01Å; Y149-I153 WeakPolarHBondContact O-CB 3.45Å; Y149-I153 WeakPolarHBondContact O-CD1 3.25Å; Y149-I153 VanDerWaalsContact O-CG1 3.24Å; Y149-I153 WeakPolarHBondContact O-CG1 3.38Å; Y149-I153 PolarHBondContact O-N 3.3Å; Y149-I171 HydrophobicContact CD1-CB 4.49Å; Y149-I171 HydrophobicContact CD1-CG2 3.52Å; Y149-I171 HydrophobicContact CE1-CG2 4.31Å; Y149-I171 HydrophobicContact CG-CG2 3.83Å; Y149-F174 HydrophobicContact CD2-CB 4.49Å; Y149-F174 HydrophobicContact CE2-CB 3.79Å; Y149-R175 HydrophobicContact CD2-CB 3.97Å; Y149-R175 HydrophobicContact CG-CB 4.26Å; Y149-E178 HydrophobicContact CD2-CG 4.16Å; Y149-E178 HydrophobicContact CE2-CG 3.92Å
150	N	98.4	Very high	96.5	Very high	46 Å²	46	47.2 Å²	47.2	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-40	174.3	-83.4	-47.5	0	0	0	112.8	A146 H147 H148 I153 R154 R175	A146-N150 WeakPolarHBondContact O-CB 3.4Å; A146-N150 PolarHBondContact O-N 3.18Å; A146-N150 PolarHBondContact O-ND2 2.88Å; H147-N150 PolarHBondContact O-N 3.35Å; H148-N150 VanDerWaalsContact C-N 3.32Å; H148-N150 PolarHBondContact O-N 3.2Å; N150-I153 PolarHBondContact O-N 2.98Å; N150-R154 WeakPolarHBondContact O-CG 3.37Å; N150-R154 PolarHBondContact O-N 3.3Å; N150-R154 VanDerWaalsContact O-N 3.09Å; N150-R175 WeakPolarHBondContact OD1-CD 3.36Å; N150-R175 PolarHBondContact OD1-NH1 3.37Å
151	N	97.9	Very high	96	Very high	62 Å²	62	50 Å²	50	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-40.1	176.8	-67.1	-28.8	0	0	0	111.7	H147 H148 Y149 R154 K155	H147-N151 PolarHBondContact CD2-ND2 2.75Å; H147-N151 VanDerWaalsContact CD2-ND2 3.31Å; H147-N151 PolarHBondContact NE2-ND2 3.36Å; H147-N151 VanDerWaalsContact NE2-ND2 3.12Å; H147-N151 PolarHBondContact O-N 3.42Å; H147-N151 VanDerWaalsContact O-N 3.14Å; H147-N151 PolarHBondContact O-ND2 2.97Å; H148-N151 WeakPolarHBondContact O-CB 3.3Å; H148-N151 PolarHBondContact O-N 2.93Å; Y149-N151 VanDerWaalsContact C-N 3.29Å; Y149-N151 PolarHBondContact O-N 3.2Å; N151-R154 PolarHBondContact O-N 3.11Å; N151-K155 WeakPolarHBondContact O-CB 3.44Å; N151-K155 PolarHBondContact O-N 3.44Å; N151-K155 VanDerWaalsContact O-N 3.07Å
152	Q	97.6	Very high	95.5	Very high	9 Å²	9	58 Å²	58	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-43.3	175.2	-66.2	-179.3	-16.1	0	0	112.2	I52 D56 H148 Y149 R154 K155 L156 I171	I52-Q152 HydrophobicContact CD1-CB 4.48Å; I52-Q152 HydrophobicContact CG1-CG 4.17Å; D56-Q152 PolarHBondContact OD1-NE2 2.97Å; D56-Q152 PolarHBondContact OD1-OE1 3.32Å; D56-Q152 PolarHBondContact OD2-NE2 3.49Å; D56-Q152 PolarHBondContact OD2-OE1 3.16Å; H148-Q152 PolarHBondContact CD2-NE2 3.04Å; H148-Q152 PolarHBondContact NE2-NE2 2.88Å; H148-Q152 WeakPolarHBondContact O-CG 3.34Å; H148-Q152 PolarHBondContact O-N 3.47Å; Y149-Q152 PolarHBondContact O-N 3.01Å; Q152-R154 PolarHBondContact O-N 3.4Å; Q152-K155 PolarHBondContact O-N 2.85Å; Q152-L156 WeakPolarHBondContact O-CG 3.07Å; Q152-L156 PolarHBondContact O-N 3.38Å; Q152-I171 HydrophobicContact CB-CD1 4.43Å
153	I	97.9	Very high	95.1	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-48.7	176.6	-70.9	161.7	0	0	0	110.3	Y149 N150 K155 L156 M157 L168 I171 K172	Y149-I153 WeakPolarHBondContact O-CB 3.45Å; Y149-I153 WeakPolarHBondContact O-CD1 3.25Å; Y149-I153 VanDerWaalsContact O-CG1 3.24Å; Y149-I153 WeakPolarHBondContact O-CG1 3.38Å; Y149-I153 PolarHBondContact O-N 3.3Å; N150-I153 PolarHBondContact O-N 2.98Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 2.95Å; I153-L156 PolarHBondContact O-N 3.32Å; I153-M157 HydrophobicContact CG2-CG 4.31Å; I153-M157 HydrophobicContact CG2-SD 3.89Å; I153-M157 WeakPolarHBondContact O-CB 3.28Å; I153-M157 VanDerWaalsContact O-CG 3.27Å; I153-M157 WeakPolarHBondContact O-CG 3.23Å; I153-M157 PolarHBondContact O-N 3.35Å; I153-L168 HydrophobicContact CB-CD2 4.32Å; I153-L168 HydrophobicContact CG1-CD2 4.32Å; I153-L168 HydrophobicContact CG2-CD2 4.07Å; I153-I171 HydrophobicContact CD1-CG2 3.9Å; I153-I171 HydrophobicContact CG1-CB 4.32Å; I153-I171 HydrophobicContact CG1-CG2 3.61Å; I153-K172 HydrophobicContact CD1-CB 4.38Å; I153-K172 HydrophobicContact CD1-CG 3.62Å; I153-K172 HydrophobicContact CG1-CG 4.08Å
154	R	97.5	Very high	94.8	Very high	144 Å²	144	57.8 Å²	57.8	54%	0.543	28%	0.275	S	S	.	.	H	α-helix	trans	-56.6	-48.8	177	-70.4	176.1	-151.3	173.9	6.2	111	N150 N151 Q152 L156 M157 E158	N150-R154 WeakPolarHBondContact O-CG 3.37Å; N150-R154 PolarHBondContact O-N 3.3Å; N150-R154 VanDerWaalsContact O-N 3.09Å; N151-R154 PolarHBondContact O-N 3.11Å; Q152-R154 PolarHBondContact O-N 3.4Å; R154-L156 PolarHBondContact O-N 3.26Å; R154-M157 PolarHBondContact O-N 3.45Å; R154-E158 WeakPolarHBondContact O-CB 3.28Å; R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 3.29Å
155	K	95.1	Very high	94.5	Very high	83 Å²	83	61 Å²	61	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-45.5	179.6	-176.9	176.8	-177.2	174.1	0	112.9	V48 N151 Q152 I153 E158 E159	V48-K155 HydrophobicContact CG1-CD 4.43Å; N151-K155 WeakPolarHBondContact O-CB 3.44Å; N151-K155 PolarHBondContact O-N 3.44Å; N151-K155 VanDerWaalsContact O-N 3.07Å; Q152-K155 PolarHBondContact O-N 2.85Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 2.95Å; K155-E158 PolarHBondContact O-N 3.36Å; K155-E159 PolarHBondContact O-N 2.97Å; K155-E159 VanDerWaalsContact O-N 3.13Å
156	L	94.4	Very high	94.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.8	-35.5	179.4	-68.9	176.3	0	0	0	111.9	V48 I52 Q152 I153 R154 E159 D160 Y164 L167 L168 I171	V48-L156 HydrophobicContact CG1-CD2 4.29Å; I52-L156 HydrophobicContact CD1-CD1 4.07Å; I52-L156 HydrophobicContact CD1-CD2 3.79Å; I52-L156 HydrophobicContact CD1-CG 3.97Å; Q152-L156 WeakPolarHBondContact O-CG 3.07Å; Q152-L156 PolarHBondContact O-N 3.38Å; I153-L156 PolarHBondContact O-N 3.32Å; R154-L156 PolarHBondContact O-N 3.26Å; L156-E159 PolarHBondContact O-N 3.35Å; L156-D160 PolarHBondContact O-N 3.31Å; L156-Y164 HydrophobicContact CB-CD2 4.29Å; L156-Y164 HydrophobicContact CB-CG 4.44Å; L156-Y164 HydrophobicContact CD2-CD1 3.93Å; L156-Y164 HydrophobicContact CD2-CD2 3.84Å; L156-Y164 HydrophobicContact CD2-CE1 4.25Å; L156-Y164 HydrophobicContact CD2-CE2 4.19Å; L156-Y164 HydrophobicContact CD2-CG 3.73Å; L156-L167 HydrophobicContact CD1-CD2 3.97Å; L156-L167 HydrophobicContact CD1-CG 4.09Å; L156-L168 HydrophobicContact CB-CD1 4.4Å; L156-L168 HydrophobicContact CB-CD2 3.71Å; L156-L168 HydrophobicContact CB-CG 4.01Å; L156-L168 HydrophobicContact CD1-CD2 4.1Å; L156-L168 HydrophobicContact CD1-CG 4.2Å; L156-I171 HydrophobicContact CD1-CD1 3.83Å
157	M	94.3	Very high	94	Very high	102 Å²	102	63.7 Å²	63.7	50%	0.502	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-34.8	173.9	-74.2	-173.8	63.2	0	0	113.1	I153 R154 L168	I153-M157 HydrophobicContact CG2-CG 4.31Å; I153-M157 HydrophobicContact CG2-SD 3.89Å; I153-M157 WeakPolarHBondContact O-CB 3.28Å; I153-M157 VanDerWaalsContact O-CG 3.27Å; I153-M157 WeakPolarHBondContact O-CG 3.23Å; I153-M157 PolarHBondContact O-N 3.35Å; R154-M157 PolarHBondContact O-N 3.45Å; M157-L168 HydrophobicContact CG-CD1 4.38Å; M157-L168 HydrophobicContact CG-CD2 4.19Å
158	E	93.5	Very high	93.9	Very high	162 Å²	162	58.8 Å²	58.8	76%	0.757	28%	0.278	S	S	*	.	H	α-helix	trans	-72.3	-29.8	176.1	-75.4	170	-171.3	0	0	112.8	R154 K155	R154-E158 WeakPolarHBondContact O-CB 3.28Å; R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 3.29Å; K155-E158 PolarHBondContact O-N 3.36Å
159	E	88.7	Confident	93.8	Very high	73 Å²	73	63 Å²	63	34%	0.341	30%	0.298	S	S	.	.	H	α-helix	trans	-75.5	-68	175.9	-76.3	-164.7	-168.4	0	0	112.3	N45 V48 K155 L156 Y164	N45-E159 PolarHBondContact ND2-OE1 3.06Å; V48-E159 WeakPolarHBondContact CG2-OE1 3.38Å; K155-E159 PolarHBondContact O-N 2.97Å; K155-E159 VanDerWaalsContact O-N 3.13Å; L156-E159 PolarHBondContact O-N 3.35Å; E159-Y164 HydrophobicContact CB-CD2 4.44Å; E159-Y164 HydrophobicContact CB-CE2 3.69Å; E159-Y164 WeakPolarHBondContact OE2-CE2 3.43Å; E159-Y164 PolarHBondContact OE2-OH 3.18Å
160	D	88.8	Confident	93.8	Very high	66 Å²	66	64 Å²	64	35%	0.353	30%	0.304	S	S	.	.			trans	-170.1	100.5	179.9	-176.7	-20.7	0	0	0	109.3	L156 E162 K163 Y164	L156-D160 PolarHBondContact O-N 3.31Å; D160-E162 VanDerWaalsContact C-N 3.35Å; D160-E162 PolarHBondContact O-N 3.37Å; D160-E162 PolarHBondContact OD1-N 2.95Å; D160-K163 HydrophobicContact CB-CB 3.81Å; D160-K163 HydrophobicContact CB-CD 3.98Å; D160-K163 VanDerWaalsContact CG-CB 3.43Å; D160-K163 PolarHBondContact O-N 3.19Å; D160-K163 PolarHBondContact OD1-N 3.28Å; D160-Y164 WeakPolarHBondContact O-CD2 3.32Å; D160-Y164 PolarHBondContact O-N 2.89Å
161	P	87.8	Confident	93.8	Very high	58 Å²	58	61.8 Å²	61.8	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.6	-172.9	25.5	-33.1	0	0	0	113.2	K163 Y164 E165 L168	P161-K163 VanDerWaalsContact C-N 3.3Å; P161-K163 PolarHBondContact O-N 2.99Å; P161-Y164 PolarHBondContact O-N 2.8Å; P161-E165 PolarHBondContact O-N 3.31Å; P161-E165 VanDerWaalsContact O-N 3.11Å; P161-L168 HydrophobicContact CB-CD1 4.26Å
162	E	88.9	Confident	93.8	Very high	173 Å²	173	62 Å²	62	81%	0.808	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.8	-178.6	-64.8	-174	175.9	0	0	110.9	D160 Y164	D160-E162 VanDerWaalsContact C-N 3.35Å; D160-E162 PolarHBondContact O-N 3.37Å; D160-E162 PolarHBondContact OD1-N 2.95Å; E162-Y164 PolarHBondContact O-N 2.71Å
163	K	88.9	Confident	93.9	Very high	63 Å²	63	65.6 Å²	65.6	27%	0.274	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-31.5	178.7	179.9	-175.7	175.5	-171.9	0	113.8	N43 I44 D160 P161	N43-K163 VanDerWaalsContact C-CE 3.5Å; N43-K163 WeakPolarHBondContact O-CE 3.38Å; N43-K163 PolarHBondContact O-NZ 3.31Å; I44-K163 VanDerWaalsContact CA-CE 3.45Å; I44-K163 HydrophobicContact CG1-CG 4.33Å; D160-K163 HydrophobicContact CB-CB 3.81Å; D160-K163 HydrophobicContact CB-CD 3.98Å; D160-K163 VanDerWaalsContact CG-CB 3.43Å; D160-K163 PolarHBondContact O-N 3.19Å; D160-K163 PolarHBondContact OD1-N 3.28Å; P161-K163 VanDerWaalsContact C-N 3.3Å; P161-K163 PolarHBondContact O-N 2.99Å
164	Y	91.5	Very high	93.9	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.02	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	12.7	-178.1	-59.5	-64.9	0	0	0	113.6	I44 N45 V49 L156 E159 D160 P161 E162 E166 L167 L168	I44-Y164 HydrophobicContact CG1-CE1 4.38Å; I44-Y164 HydrophobicContact CG2-CE1 4.07Å; N45-Y164 WeakPolarHBondContact CB-OH 3.21Å; N45-Y164 PolarHBondContact N-OH 2.9Å; V49-Y164 HydrophobicContact CG2-CD1 4.4Å; V49-Y164 HydrophobicContact CG2-CE1 3.95Å; L156-Y164 HydrophobicContact CB-CD2 4.29Å; L156-Y164 HydrophobicContact CB-CG 4.44Å; L156-Y164 HydrophobicContact CD2-CD1 3.93Å; L156-Y164 HydrophobicContact CD2-CD2 3.84Å; L156-Y164 HydrophobicContact CD2-CE1 4.25Å; L156-Y164 HydrophobicContact CD2-CE2 4.19Å; L156-Y164 HydrophobicContact CD2-CG 3.73Å; E159-Y164 HydrophobicContact CB-CD2 4.44Å; E159-Y164 HydrophobicContact CB-CE2 3.69Å; E159-Y164 WeakPolarHBondContact OE2-CE2 3.43Å; E159-Y164 PolarHBondContact OE2-OH 3.18Å; D160-Y164 WeakPolarHBondContact O-CD2 3.32Å; D160-Y164 PolarHBondContact O-N 2.89Å; P161-Y164 PolarHBondContact O-N 2.8Å; E162-Y164 PolarHBondContact O-N 2.71Å; Y164-E166 VanDerWaalsContact C-N 3.33Å; Y164-E166 PolarHBondContact O-N 3.06Å; Y164-L167 PolarHBondContact O-N 3.45Å; Y164-L168 WeakPolarHBondContact O-CB 3.33Å; Y164-L168 PolarHBondContact O-N 3.29Å
165	E	92	Very high	93.9	Very high	81 Å²	81	60.8 Å²	60.8	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-51.4	-46.6	-170.6	-179.3	57.9	-156.6	0	0	113.2	P161 L167 L168 Q169	P161-E165 PolarHBondContact O-N 3.31Å; P161-E165 VanDerWaalsContact O-N 3.11Å; E165-L167 PolarHBondContact O-N 2.71Å; E165-L168 PolarHBondContact O-N 2.8Å; E165-Q169 WeakPolarHBondContact O-CB 3.32Å; E165-Q169 VanDerWaalsContact O-CG 3.29Å; E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.34Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.41Å; E165-Q169 PolarHBondContact OE1-NE2 3.38Å
166	E	91	Very high	94.1	Very high	65 Å²	65	60.9 Å²	60.9	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-42.5	-179.7	-64.5	-171	166.7	0	0	112.7	F34 M39 Y164 Q169 V170	F34-E166 VanDerWaalsContact CE1-OE2 3.28Å; F34-E166 WeakPolarHBondContact CE1-OE2 3.34Å; M39-E166 WeakPolarHBondContact CE-OE2 3.44Å; Y164-E166 VanDerWaalsContact C-N 3.33Å; Y164-E166 PolarHBondContact O-N 3.06Å; E166-Q169 PolarHBondContact O-N 2.9Å; E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 2.91Å
167	L	94.3	Very high	94.3	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-41.1	178.5	-178.5	59.2	0	0	0	110.7	V49 I52 L100 L156 Y164 E165 Q169 V170 I171	V49-L167 HydrophobicContact CG2-CD2 4.33Å; I52-L167 HydrophobicContact CG2-CD2 4.24Å; L100-L167 HydrophobicContact CD1-CD1 4.38Å; L156-L167 HydrophobicContact CD1-CD2 3.97Å; L156-L167 HydrophobicContact CD1-CG 4.09Å; Y164-L167 PolarHBondContact O-N 3.45Å; E165-L167 PolarHBondContact O-N 2.71Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.85Å; L167-V170 PolarHBondContact O-N 2.98Å; L167-I171 HydrophobicContact CD1-CD1 3.87Å; L167-I171 HydrophobicContact CD1-CG1 4.19Å; L167-I171 HydrophobicContact CD2-CD1 4.42Å; L167-I171 HydrophobicContact CG-CD1 3.72Å; L167-I171 HydrophobicContact CG-CG1 4.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 2.87Å
168	L	96.6	Very high	94.5	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-42.5	173.9	-83.5	169.8	0	0	0	111.8	I153 L156 M157 P161 Y164 E165 K172	I153-L168 HydrophobicContact CB-CD2 4.32Å; I153-L168 HydrophobicContact CG1-CD2 4.32Å; I153-L168 HydrophobicContact CG2-CD2 4.07Å; L156-L168 HydrophobicContact CB-CD1 4.4Å; L156-L168 HydrophobicContact CB-CD2 3.71Å; L156-L168 HydrophobicContact CB-CG 4.01Å; L156-L168 HydrophobicContact CD1-CD2 4.1Å; L156-L168 HydrophobicContact CD1-CG 4.2Å; M157-L168 HydrophobicContact CG-CD1 4.38Å; M157-L168 HydrophobicContact CG-CD2 4.19Å; P161-L168 HydrophobicContact CB-CD1 4.26Å; Y164-L168 WeakPolarHBondContact O-CB 3.33Å; Y164-L168 PolarHBondContact O-N 3.29Å; E165-L168 PolarHBondContact O-N 2.8Å; L168-K172 VanDerWaalsContact O-CB 3.25Å; L168-K172 WeakPolarHBondContact O-CB 3.2Å; L168-K172 WeakPolarHBondContact O-CD 3.25Å; L168-K172 WeakPolarHBondContact O-CG 2.81Å; L168-K172 PolarHBondContact O-N 3.49Å
169	Q	97.3	Very high	94.7	Very high	109 Å²	109	53.3 Å²	53.3	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-43.4	177.2	-76.6	179.4	4	0	0	112	E165 E166 L167 K173	E165-Q169 WeakPolarHBondContact O-CB 3.32Å; E165-Q169 VanDerWaalsContact O-CG 3.29Å; E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.34Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.41Å; E165-Q169 PolarHBondContact OE1-NE2 3.38Å; E166-Q169 PolarHBondContact O-N 2.9Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.85Å; Q169-K173 WeakPolarHBondContact O-CB 3.29Å; Q169-K173 PolarHBondContact O-N 2.94Å
170	V	97.8	Very high	95.2	Very high	21 Å²	21	53.8 Å²	53.8	13%	0.127	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-51.8	176.8	173.4	0	0	0	0	110.6	K96 L100 E166 L167 K172 K173 F174	K96-V170 HydrophobicContact CG-CG1 3.99Å; L100-V170 HydrophobicContact CD1-CG1 4.3Å; E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 2.91Å; L167-V170 PolarHBondContact O-N 2.98Å; V170-K172 PolarHBondContact O-N 3.4Å; V170-K173 WeakPolarHBondContact O-CB 3.29Å; V170-K173 PolarHBondContact O-N 2.95Å; V170-F174 HydrophobicContact CG1-CD2 3.91Å; V170-F174 HydrophobicContact CG1-CE2 3.65Å; V170-F174 HydrophobicContact CG1-CZ 4.09Å; V170-F174 PolarHBondContact O-N 3.35Å
171	I	98	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-40.9	-177.5	-65.6	168	0	0	0	111.4	I52 Y149 Q152 I153 L156 L167 F174 R175	I52-I171 HydrophobicContact CG2-CD1 3.83Å; Y149-I171 HydrophobicContact CD1-CB 4.49Å; Y149-I171 HydrophobicContact CD1-CG2 3.52Å; Y149-I171 HydrophobicContact CE1-CG2 4.31Å; Y149-I171 HydrophobicContact CG-CG2 3.83Å; Q152-I171 HydrophobicContact CB-CD1 4.43Å; I153-I171 HydrophobicContact CD1-CG2 3.9Å; I153-I171 HydrophobicContact CG1-CB 4.32Å; I153-I171 HydrophobicContact CG1-CG2 3.61Å; L156-I171 HydrophobicContact CD1-CD1 3.83Å; L167-I171 HydrophobicContact CD1-CD1 3.87Å; L167-I171 HydrophobicContact CD1-CG1 4.19Å; L167-I171 HydrophobicContact CD2-CD1 4.42Å; L167-I171 HydrophobicContact CG-CD1 3.72Å; L167-I171 HydrophobicContact CG-CG1 4.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 2.87Å; I171-F174 PolarHBondContact O-N 2.64Å; I171-R175 VanDerWaalsContact O-CB 3.29Å; I171-R175 WeakPolarHBondContact O-CB 3.36Å; I171-R175 PolarHBondContact O-N 3.12Å
172	K	98.5	Very high	96.1	Very high	66 Å²	66	49.1 Å²	49.1	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-44.6	175.5	-76.3	169.8	-177	173.1	0	111.6	I153 L168 V170 D176	I153-K172 HydrophobicContact CD1-CB 4.38Å; I153-K172 HydrophobicContact CD1-CG 3.62Å; I153-K172 HydrophobicContact CG1-CG 4.08Å; L168-K172 VanDerWaalsContact O-CB 3.25Å; L168-K172 WeakPolarHBondContact O-CB 3.2Å; L168-K172 WeakPolarHBondContact O-CD 3.25Å; L168-K172 WeakPolarHBondContact O-CG 2.81Å; L168-K172 PolarHBondContact O-N 3.49Å; V170-K172 PolarHBondContact O-N 3.4Å; K172-D176 PolarHBondContact O-N 3.06Å; K172-D176 VanDerWaalsContact O-N 3.1Å
173	K	98.3	Very high	96.6	Very high	85 Å²	85	44.8 Å²	44.8	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-51.3	178.7	-175.3	-174.1	177	-83.4	0	110.7	Q169 V170 D176 E177	Q169-K173 WeakPolarHBondContact O-CB 3.29Å; Q169-K173 PolarHBondContact O-N 2.94Å; V170-K173 WeakPolarHBondContact O-CB 3.29Å; V170-K173 PolarHBondContact O-N 2.95Å; K173-D176 PolarHBondContact O-N 3.43Å; K173-D176 VanDerWaalsContact O-N 3.12Å; K173-E177 WeakPolarHBondContact CE-OE1 3.28Å; K173-E177 IonicContact NZ-OE1 3.1Å; K173-E177 PolarHBondContact NZ-OE1 3.05Å; K173-E177 IonicContact NZ-OE2 2.99Å; K173-E177 PolarHBondContact NZ-OE2 3.23Å; K173-E177 PolarHBondContact O-N 3.01Å
174	F	98.4	Very high	97	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-41.7	-176.8	-66.8	-10.5	0	0	0	111.6	H93 K96 F97 Y149 V170 I171 D176 E177 E178	H93-F174 HydrophobicContact CB-CD2 4.22Å; H93-F174 HydrophobicContact CB-CE2 3.98Å; H93-F174 HydrophobicContact CB-CZ 4.15Å; H93-F174 AromaticContact CD2-CD1 3.46Å; H93-F174 VanDerWaalsContact CD2-CD1 3.46Å; H93-F174 WeakPolarHBondContact CD2-CD1 3.21Å; H93-F174 AromaticContact CD2-CE1 3.41Å; H93-F174 VanDerWaalsContact CD2-CE1 3.41Å; H93-F174 WeakPolarHBondContact CD2-CE1 3.44Å; H93-F174 AromaticContact CD2-CG 3.97Å; H93-F174 AromaticContact CD2-CZ 3.87Å; H93-F174 AromaticContact NE2-CD1 3.65Å; K96-F174 HydrophobicContact CB-CE2 3.88Å; K96-F174 HydrophobicContact CB-CZ 3.56Å; K96-F174 HydrophobicContact CG-CE2 3.98Å; K96-F174 HydrophobicContact CG-CZ 3.73Å; F97-F174 HydrophobicContact CD2-CD2 4.22Å; F97-F174 AromaticContact CD2-CE2 3.93Å; F97-F174 HydrophobicContact CD2-CE2 3.93Å; F97-F174 AromaticContact CE2-CD2 3.45Å; F97-F174 HydrophobicContact CE2-CD2 3.45Å; F97-F174 VanDerWaalsContact CE2-CD2 3.45Å; F97-F174 AromaticContact CE2-CE2 3.6Å; F97-F174 HydrophobicContact CE2-CE2 3.6Å; F97-F174 HydrophobicContact CZ-CD2 4.08Å; F97-F174 HydrophobicContact CZ-CE2 4.34Å; Y149-F174 HydrophobicContact CD2-CB 4.49Å; Y149-F174 HydrophobicContact CE2-CB 3.79Å; V170-F174 HydrophobicContact CG1-CD2 3.91Å; V170-F174 HydrophobicContact CG1-CE2 3.65Å; V170-F174 HydrophobicContact CG1-CZ 4.09Å; V170-F174 PolarHBondContact O-N 3.35Å; I171-F174 PolarHBondContact O-N 2.64Å; F174-D176 VanDerWaalsContact C-N 3.26Å; F174-D176 PolarHBondContact O-N 3.21Å; F174-E177 VanDerWaalsContact CD1-OE2 3.31Å; F174-E177 WeakPolarHBondContact CD1-OE2 3.48Å; F174-E177 CarbonylContact O-C 3.59Å; F174-E177 WeakPolarHBondContact O-CA 3.49Å; F174-E177 PolarHBondContact O-N 3.21Å; F174-E178 VanDerWaalsContact O-CG 3.29Å; F174-E178 WeakPolarHBondContact O-CG 3.38Å; F174-E178 PolarHBondContact O-N 3.1Å
175	R	98.6	Very high	97.3	Very high	43 Å²	43	42.4 Å²	42.4	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-51.5	-44.4	169.3	179.3	-152.1	56.9	-158.4	-9.2	113	A146 Y149 N150 I171 E177 E178 L179	A146-R175 HydrophobicContact CB-CG 4.27Å; Y149-R175 HydrophobicContact CD2-CB 3.97Å; Y149-R175 HydrophobicContact CG-CB 4.26Å; N150-R175 WeakPolarHBondContact OD1-CD 3.36Å; N150-R175 PolarHBondContact OD1-NH1 3.37Å; I171-R175 VanDerWaalsContact O-CB 3.29Å; I171-R175 WeakPolarHBondContact O-CB 3.36Å; I171-R175 PolarHBondContact O-N 3.12Å; R175-E177 VanDerWaalsContact C-N 3.33Å; R175-E178 PolarHBondContact O-N 3.13Å; R175-L179 WeakPolarHBondContact O-CG 3.36Å; R175-L179 PolarHBondContact O-N 2.78Å; R175-L179 VanDerWaalsContact O-N 3.09Å
176	D	98.6	Very high	97.6	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-69.5	-34.8	-179	-62.9	-14	0	0	0	111.2	K172 K173 F174 L179 E180	K172-D176 PolarHBondContact O-N 3.06Å; K172-D176 VanDerWaalsContact O-N 3.1Å; K173-D176 PolarHBondContact O-N 3.43Å; K173-D176 VanDerWaalsContact O-N 3.12Å; F174-D176 VanDerWaalsContact C-N 3.26Å; F174-D176 PolarHBondContact O-N 3.21Å; D176-L179 PolarHBondContact O-N 2.85Å; D176-E180 PolarHBondContact O-N 3.02Å; D176-E180 VanDerWaalsContact O-N 3.13Å
177	E	98.3	Very high	98	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-38.8	173.3	-69.4	174.1	145.8	0	0	111.9	H93 K173 F174 R175 L179 E180 H181	H93-E177 IonicContact CD2-OE2 3.19Å; H93-E177 IonicContact NE2-OE2 3.48Å; H93-E177 PolarHBondContact NE2-OE2 3.38Å; H93-E177 VanDerWaalsContact NE2-OE2 3.1Å; K173-E177 WeakPolarHBondContact CE-OE1 3.28Å; K173-E177 IonicContact NZ-OE1 3.1Å; K173-E177 PolarHBondContact NZ-OE1 3.05Å; K173-E177 IonicContact NZ-OE2 2.99Å; K173-E177 PolarHBondContact NZ-OE2 3.23Å; K173-E177 PolarHBondContact O-N 3.01Å; F174-E177 VanDerWaalsContact CD1-OE2 3.31Å; F174-E177 WeakPolarHBondContact CD1-OE2 3.48Å; F174-E177 CarbonylContact O-C 3.59Å; F174-E177 WeakPolarHBondContact O-CA 3.49Å; F174-E177 PolarHBondContact O-N 3.21Å; R175-E177 VanDerWaalsContact C-N 3.33Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.02Å; E177-E180 WeakPolarHBondContact O-CB 3.49Å; E177-E180 PolarHBondContact O-N 3.12Å; E177-E180 VanDerWaalsContact O-N 3.11Å; E177-H181 PolarHBondContact O-CD2 3.09Å; E177-H181 PolarHBondContact O-N 2.81Å
178	E	98.3	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-39	172.5	-63.1	-37	137.6	0	0	111.8	H93 E142 I145 A146 Y149 F174 R175 E180 H181 H182	H93-E178 IonicContact CE1-OE1 3.56Å; H93-E178 PolarHBondContact CE1-OE1 2.69Å; H93-E178 IonicContact ND1-OE1 2.64Å; H93-E178 PolarHBondContact ND1-OE1 3.21Å; E142-E178 HydrophobicContact CB-CB 4.34Å; E142-E178 WeakPolarHBondContact CB-O 3.46Å; E142-E178 VanDerWaalsContact OE2-OE2 3.09Å; I145-E178 HydrophobicContact CB-CG 4.26Å; I145-E178 HydrophobicContact CG2-CG 3.75Å; A146-E178 HydrophobicContact CB-CB 4.08Å; Y149-E178 HydrophobicContact CD2-CG 4.16Å; Y149-E178 HydrophobicContact CE2-CG 3.92Å; F174-E178 VanDerWaalsContact O-CG 3.29Å; F174-E178 WeakPolarHBondContact O-CG 3.38Å; F174-E178 PolarHBondContact O-N 3.1Å; R175-E178 PolarHBondContact O-N 3.13Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E178-H181 PolarHBondContact O-N 3.45Å; E178-H181 IonicContact OE2-ND1 3.08Å; E178-H182 WeakPolarHBondContact O-CB 3.49Å; E178-H182 PolarHBondContact O-N 3.09Å
179	L	98.5	Very high	98.2	Very high	68 Å²	68	50.3 Å²	50.3	36%	0.356	24%	0.244	S	C	.	.	H	α-helix	trans	-67.7	-35.4	175.4	-69.5	173.4	0	0	0	111.6	A146 R175 D176 E177 H181 H182 D183	A146-L179 HydrophobicContact CB-CD2 3.86Å; A146-L179 HydrophobicContact CB-CG 4.05Å; R175-L179 WeakPolarHBondContact O-CG 3.36Å; R175-L179 PolarHBondContact O-N 2.78Å; R175-L179 VanDerWaalsContact O-N 3.09Å; D176-L179 PolarHBondContact O-N 2.85Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.02Å; L179-H181 VanDerWaalsContact C-N 3.35Å; L179-H182 WeakPolarHBondContact O-CB 3.38Å; L179-H182 PolarHBondContact O-N 3.33Å; L179-D183 WeakPolarHBondContact O-CB 3.2Å; L179-D183 PolarHBondContact O-N 2.94Å
180	E	98.4	Very high	98.2	Very high	83 Å²	83	45.1 Å²	45.1	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-41.7	171.2	-173.2	-170.5	159.2	0	0	111.3	K85 D176 E177 E178 D183 T184	K85-E180 IonicContact NZ-OE1 3.32Å; K85-E180 PolarHBondContact NZ-OE1 3.07Å; D176-E180 PolarHBondContact O-N 3.02Å; D176-E180 VanDerWaalsContact O-N 3.13Å; E177-E180 WeakPolarHBondContact O-CB 3.49Å; E177-E180 PolarHBondContact O-N 3.12Å; E177-E180 VanDerWaalsContact O-N 3.11Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E180-D183 PolarHBondContact O-N 2.89Å; E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 3.35Å; E180-T184 PolarHBondContact O-OG1 3.06Å
181	H	98.3	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-42.9	177.4	-67.7	-179.3	0	0	0	112	M86 Q89 E142 E177 E178 L179 T184 G185	M86-H181 HydrophobicContact SD-CB 4.13Å; Q89-H181 PolarHBondContact OE1-NE2 3.27Å; E142-H181 HydrophobicContact CG-CB 3.72Å; E177-H181 PolarHBondContact O-CD2 3.09Å; E177-H181 PolarHBondContact O-N 2.81Å; E178-H181 PolarHBondContact O-N 3.45Å; E178-H181 IonicContact OE2-ND1 3.08Å; L179-H181 VanDerWaalsContact C-N 3.35Å; H181-T184 WeakPolarHBondContact O-CB 3.48Å; H181-T184 PolarHBondContact O-N 3.48Å; H181-G185 PolarHBondContact O-N 3.34Å
182	H	98.3	Very high	98.2	Very high	26 Å²	26	56 Å²	56	12%	0.12	27%	0.273	C	S	.	.	H	α-helix	trans	-54.2	-53	171.3	166.6	-85.7	0	0	0	111.1	V139 E142 E178 L179 T184 G185 L186	V139-H182 WeakPolarHBondContact CG2-O 3.37Å; E142-H182 HydrophobicContact CB-CB 4.12Å; E178-H182 WeakPolarHBondContact O-CB 3.49Å; E178-H182 PolarHBondContact O-N 3.09Å; L179-H182 WeakPolarHBondContact O-CB 3.38Å; L179-H182 PolarHBondContact O-N 3.33Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.05Å; H182-G185 WeakPolarHBondContact O-CA 3.35Å; H182-G185 PolarHBondContact O-N 3.32Å; H182-L186 WeakPolarHBondContact CE1-CD1 3.44Å; H182-L186 PolarHBondContact O-N 3.23Å; H182-L186 VanDerWaalsContact O-N 3.08Å
183	D	98.6	Very high	98.1	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-39.3	-177.9	-69.2	-9.6	0	0	0	111	L179 E180 G185 L186 E187	L179-D183 WeakPolarHBondContact O-CB 3.2Å; L179-D183 PolarHBondContact O-N 2.94Å; E180-D183 PolarHBondContact O-N 2.89Å; D183-G185 VanDerWaalsContact C-N 3.28Å; D183-G185 PolarHBondContact O-N 3.37Å; D183-L186 WeakPolarHBondContact O-CB 3.42Å; D183-L186 PolarHBondContact O-N 3.31Å; D183-L186 VanDerWaalsContact O-N 3.13Å; D183-E187 WeakPolarHBondContact O-CG 3.47Å; D183-E187 PolarHBondContact O-N 3.14Å
184	T	98.3	Very high	97.7	Very high	19 Å²	19	53.1 Å²	53.1	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-42.4	172	-60.3	0	0	0	0	111.1	V82 M86 E180 H181 H182 E187 H188	V82-T184 HydrophobicContact CG1-CG2 3.79Å; M86-T184 HydrophobicContact CE-CG2 4.46Å; M86-T184 HydrophobicContact SD-CG2 3.83Å; E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 3.35Å; E180-T184 PolarHBondContact O-OG1 3.06Å; H181-T184 WeakPolarHBondContact O-CB 3.48Å; H181-T184 PolarHBondContact O-N 3.48Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.05Å; T184-E187 PolarHBondContact O-N 3.02Å; T184-H188 PolarHBondContact O-N 3.37Å; T184-H188 VanDerWaalsContact O-N 3.09Å; T184-H188 PolarHBondContact O-ND1 2.74Å
185	G	98.1	Very high	97.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-42.2	176.4	0	0	0	0	0	112.6	H181 H182 D183 H188 A190	H181-G185 PolarHBondContact O-N 3.34Å; H182-G185 WeakPolarHBondContact O-CA 3.35Å; H182-G185 PolarHBondContact O-N 3.32Å; D183-G185 VanDerWaalsContact C-N 3.28Å; D183-G185 PolarHBondContact O-N 3.37Å; G185-H188 CarbonylContact O-C 3.55Å; G185-H188 PolarHBondContact O-N 2.99Å; G185-A190 WeakPolarHBondContact O-CB 3.48Å; G185-A190 PolarHBondContact O-N 3.31Å
186	L	98.3	Very high	97.5	Very high	59 Å²	59	55.6 Å²	55.6	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.9	-66.6	178.6	0	0	0	112.1	V139 H182 D183 H188 D189 A190 E191	V139-L186 HydrophobicContact CG1-CD2 4.15Å; V139-L186 HydrophobicContact CG2-CD2 3.97Å; V139-L186 HydrophobicContact CG2-CG 4.03Å; H182-L186 WeakPolarHBondContact CE1-CD1 3.44Å; H182-L186 PolarHBondContact O-N 3.23Å; H182-L186 VanDerWaalsContact O-N 3.08Å; D183-L186 WeakPolarHBondContact O-CB 3.42Å; D183-L186 PolarHBondContact O-N 3.31Å; D183-L186 VanDerWaalsContact O-N 3.13Å; L186-H188 PolarHBondContact O-N 2.95Å; L186-D189 PolarHBondContact O-N 2.83Å; L186-D189 VanDerWaalsContact O-N 3.15Å; L186-A190 HydrophobicContact CD2-CB 4.46Å; L186-E191 HydrophobicContact CD2-CG 3.87Å
187	E	98.2	Very high	97.4	Very high	148 Å²	148	54.7 Å²	54.7	69%	0.692	30%	0.299	S	S	*	.	H	α-helix	trans	-61.3	-23.2	176.3	-71.2	177.6	175.9	0	0	113.1	D183 T184	D183-E187 WeakPolarHBondContact O-CG 3.47Å; D183-E187 PolarHBondContact O-N 3.14Å; T184-E187 PolarHBondContact O-N 3.02Å
188	H	97.6	Very high	97.4	Very high	51 Å²	51	57.5 Å²	57.5	24%	0.236	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	31.9	178	-68.4	78.1	0	0	0	113	K131 M135 T184 G185 L186 A190	K131-H188 VanDerWaalsContact CE-O 3.27Å; K131-H188 WeakPolarHBondContact CE-O 3.46Å; M135-H188 HydrophobicContact CG-CB 3.68Å; M135-H188 HydrophobicContact SD-CB 3.79Å; T184-H188 PolarHBondContact O-N 3.37Å; T184-H188 VanDerWaalsContact O-N 3.09Å; T184-H188 PolarHBondContact O-ND1 2.74Å; G185-H188 CarbonylContact O-C 3.55Å; G185-H188 PolarHBondContact O-N 2.99Å; L186-H188 PolarHBondContact O-N 2.95Å; H188-A190 PolarHBondContact O-N 3.43Å
189	D	97.8	Very high	97.3	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	29	169.6	-52.5	-60.3	0	0	0	115.1	K131 E132 L186 E191 L192	K131-D189 IonicContact NZ-OD2 2.62Å; K131-D189 PolarHBondContact NZ-OD2 2.99Å; E132-D189 HydrophobicContact CG-CB 4.1Å; E132-D189 WeakPolarHBondContact CG-O 3.31Å; L186-D189 PolarHBondContact O-N 2.83Å; L186-D189 VanDerWaalsContact O-N 3.15Å; D189-E191 PolarHBondContact O-N 3.39Å; D189-E191 VanDerWaalsContact O-N 3.12Å; D189-L192 HydrophobicContact CB-CB 4.31Å; D189-L192 HydrophobicContact CB-CD1 3.87Å; D189-L192 HydrophobicContact CB-CG 4.05Å; D189-L192 WeakPolarHBondContact O-CB 3.49Å; D189-L192 PolarHBondContact O-N 3.25Å
190	A	97	Very high	97.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-49.1	-39.4	174.5	0	0	0	0	0	113.1	M135 A136 V139 G185 L186 H188 L192 A193 Y196	M135-A190 HydrophobicContact CB-CB 3.84Å; A136-A190 HydrophobicContact CB-CB 4.44Å; V139-A190 HydrophobicContact CB-CB 4.41Å; V139-A190 HydrophobicContact CG2-CB 3.66Å; G185-A190 WeakPolarHBondContact O-CB 3.48Å; G185-A190 PolarHBondContact O-N 3.31Å; L186-A190 HydrophobicContact CD2-CB 4.46Å; H188-A190 PolarHBondContact O-N 3.43Å; A190-L192 PolarHBondContact O-N 3.06Å; A190-A193 WeakPolarHBondContact O-CB 3.49Å; A190-A193 PolarHBondContact O-N 3.47Å; A190-A193 VanDerWaalsContact O-N 3.08Å; A190-Y196 HydrophobicContact CB-CE2 4.28Å; A190-Y196 WeakPolarHBondContact O-CD2 3.21Å
191	E	97.6	Very high	97.3	Very high	129 Å²	129	57.2 Å²	57.2	60%	0.603	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-69	-16.1	-177.2	-56.5	-164.1	124.5	0	0	113.7	L186 D189 A193 Y196	L186-E191 HydrophobicContact CD2-CG 3.87Å; D189-E191 PolarHBondContact O-N 3.39Å; D189-E191 VanDerWaalsContact O-N 3.12Å; E191-A193 VanDerWaalsContact C-N 3.25Å; E191-A193 PolarHBondContact O-N 2.98Å; E191-Y196 HydrophobicContact CB-CD1 4.29Å; E191-Y196 HydrophobicContact CB-CE1 4.23Å; E191-Y196 HydrophobicContact CG-CD1 4.38Å; E191-Y196 HydrophobicContact CG-CE1 3.82Å
192	L	97.4	Very high	97.3	Very high	121 Å²	121	61.8 Å²	61.8	63%	0.634	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-83.3	-0.7	174.8	-57.3	-171.7	0	0	0	112.7	E132 D189 A190	E132-L192 HydrophobicContact CG-CB 3.87Å; D189-L192 HydrophobicContact CB-CB 4.31Å; D189-L192 HydrophobicContact CB-CD1 3.87Å; D189-L192 HydrophobicContact CB-CG 4.05Å; D189-L192 WeakPolarHBondContact O-CB 3.49Å; D189-L192 PolarHBondContact O-N 3.25Å; A190-L192 PolarHBondContact O-N 3.06Å
193	A	96.9	Very high	97.3	Very high	6 Å²	6	61 Å²	61	5%	0.05	35%	0.348	C	S	.	.	S	Bend	trans	-60.9	144.1	178.1	0	0	0	0	0	111.9	E132 A136 A190 E191 A195 Y196	E132-A193 HydrophobicContact CB-CB 4.18Å; A136-A193 HydrophobicContact CB-CB 3.61Å; A190-A193 WeakPolarHBondContact O-CB 3.49Å; A190-A193 PolarHBondContact O-N 3.47Å; A190-A193 VanDerWaalsContact O-N 3.08Å; E191-A193 VanDerWaalsContact C-N 3.25Å; E191-A193 PolarHBondContact O-N 2.98Å; A193-A195 PolarHBondContact O-N 3.02Å; A193-A195 VanDerWaalsContact O-N 3.13Å; A193-Y196 HydrophobicContact CB-CD2 4.34Å; A193-Y196 WeakPolarHBondContact O-CB 3.45Å; A193-Y196 PolarHBondContact O-N 2.9Å
194	P	90.7	Very high	97.3	Very high	84 Å²	84	58.8 Å²	58.8	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	122.1	175.2	-25.4	34.2	0	0	0	111.5	Y196	P194-Y196 PolarHBondContact O-N 2.85Å
195	A	95.4	Very high	97.3	Very high	73 Å²	73	60.4 Å²	60.4	60%	0.603	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.3	-177	0	0	0	0	0	113.8	A193 A197 V198 L199	A193-A195 PolarHBondContact O-N 3.02Å; A193-A195 VanDerWaalsContact O-N 3.13Å; A195-A197 VanDerWaalsContact C-N 3.33Å; A195-A197 PolarHBondContact O-N 2.97Å; A195-A197 VanDerWaalsContact O-N 3.1Å; A195-V198 HydrophobicContact CB-CB 4.34Å; A195-V198 WeakPolarHBondContact O-CA 3.5Å; A195-V198 WeakPolarHBondContact O-CB 3.27Å; A195-V198 PolarHBondContact O-N 3.45Å; A195-L199 PolarHBondContact O-N 3.23Å
196	Y	96.8	Very high	97.3	Very high	32 Å²	32	62.3 Å²	62.3	13%	0.125	37%	0.37	C	S	.	.	H	α-helix	trans	-38.2	-53.8	-175.9	171.9	-115	0	0	0	114.8	A136 V139 A190 E191 A193 P194 V198 L199 K200	A136-Y196 HydrophobicContact CB-CD2 3.65Å; A136-Y196 HydrophobicContact CB-CE2 3.86Å; V139-Y196 WeakPolarHBondContact CG1-OH 3.22Å; A190-Y196 HydrophobicContact CB-CE2 4.28Å; A190-Y196 WeakPolarHBondContact O-CD2 3.21Å; E191-Y196 HydrophobicContact CB-CD1 4.29Å; E191-Y196 HydrophobicContact CB-CE1 4.23Å; E191-Y196 HydrophobicContact CG-CD1 4.38Å; E191-Y196 HydrophobicContact CG-CE1 3.82Å; A193-Y196 HydrophobicContact CB-CD2 4.34Å; A193-Y196 WeakPolarHBondContact O-CB 3.45Å; A193-Y196 PolarHBondContact O-N 2.9Å; P194-Y196 PolarHBondContact O-N 2.85Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 2.89Å; Y196-L199 PolarHBondContact O-N 3.05Å; Y196-K200 HydrophobicContact CE1-CD 4.33Å; Y196-K200 HydrophobicContact CE2-CB 4.42Å; Y196-K200 HydrophobicContact CE2-CD 4.35Å; Y196-K200 VanDerWaalsContact O-CB 3.24Å; Y196-K200 WeakPolarHBondContact O-CB 3.49Å; Y196-K200 PolarHBondContact O-N 2.93Å
197	A	97.1	Very high	97.3	Very high	66 Å²	66	60.7 Å²	60.7	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-37.9	-178	0	0	0	0	0	113.2	A195 S201	A195-A197 VanDerWaalsContact C-N 3.33Å; A195-A197 PolarHBondContact O-N 2.97Å; A195-A197 VanDerWaalsContact O-N 3.1Å; A197-S201 VanDerWaalsContact O-CB 3.3Å; A197-S201 WeakPolarHBondContact O-CB 3.33Å; A197-S201 PolarHBondContact O-N 3.19Å; A197-S201 PolarHBondContact O-OG 2.8Å
198	V	97.7	Very high	97.3	Very high	95 Å²	95	60.3 Å²	60.3	58%	0.576	36%	0.359	S	S	*	.	H	α-helix	trans	-71.3	-48.3	177	178.7	0	0	0	0	110	A195 Y196 K200 S201 V202	A195-V198 HydrophobicContact CB-CB 4.34Å; A195-V198 WeakPolarHBondContact O-CA 3.5Å; A195-V198 WeakPolarHBondContact O-CB 3.27Å; A195-V198 PolarHBondContact O-N 3.45Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 2.89Å; V198-K200 PolarHBondContact O-N 2.73Å; V198-S201 PolarHBondContact O-N 3.49Å; V198-V202 HydrophobicContact CG1-CG2 4.43Å; V198-V202 WeakPolarHBondContact O-CG2 3.24Å; V198-V202 PolarHBondContact O-N 3.01Å
199	L	97.2	Very high	97.3	Very high	34 Å²	34	62 Å²	62	18%	0.178	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-51.1	178.2	179.4	61.5	0	0	0	111	T126 A136 A195 Y196 S201 V202 I203	T126-L199 HydrophobicContact CG2-CD1 4.41Å; A136-L199 HydrophobicContact CB-CD2 4.01Å; A195-L199 PolarHBondContact O-N 3.23Å; Y196-L199 PolarHBondContact O-N 3.05Å; L199-S201 PolarHBondContact O-N 3.48Å; L199-V202 PolarHBondContact O-N 3.26Å; L199-I203 HydrophobicContact CD1-CD1 3.81Å; L199-I203 HydrophobicContact CD1-CG1 4.34Å; L199-I203 HydrophobicContact CG-CD1 3.91Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.03Å; L199-I203 PolarHBondContact O-N 3.38Å
200	K	98.1	Very high	97.2	Very high	39 Å²	39	60 Å²	60	17%	0.17	37%	0.366	C	S	.	.	H	α-helix	trans	-55.6	-50.8	176.6	-179.1	177.4	-179.1	179	0	111.4	A140 E143 Y196 V198 V202 I203 Q204	A140-K200 HydrophobicContact CB-CB 4.31Å; A140-K200 HydrophobicContact CB-CG 3.87Å; E143-K200 IonicContact OE1-NZ 3.19Å; E143-K200 WeakPolarHBondContact OE2-CE 3.25Å; E143-K200 IonicContact OE2-NZ 3.59Å; E143-K200 PolarHBondContact OE2-NZ 2.89Å; Y196-K200 HydrophobicContact CE1-CD 4.33Å; Y196-K200 HydrophobicContact CE2-CB 4.42Å; Y196-K200 HydrophobicContact CE2-CD 4.35Å; Y196-K200 VanDerWaalsContact O-CB 3.24Å; Y196-K200 WeakPolarHBondContact O-CB 3.49Å; Y196-K200 PolarHBondContact O-N 2.93Å; V198-K200 PolarHBondContact O-N 2.73Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.9Å; K200-I203 PolarHBondContact O-N 3.34Å; K200-Q204 HydrophobicContact CG-CG 4.37Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 VanDerWaalsContact O-CG 3.28Å; K200-Q204 WeakPolarHBondContact O-CG 3.29Å; K200-Q204 PolarHBondContact O-N 2.89Å
201	S	98.1	Very high	97.1	Very high	71 Å²	71	61.8 Å²	61.8	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-178.3	-61.5	0	0	0	0	112.7	A197 V198 L199 A205	A197-S201 VanDerWaalsContact O-CB 3.3Å; A197-S201 WeakPolarHBondContact O-CB 3.33Å; A197-S201 PolarHBondContact O-N 3.19Å; A197-S201 PolarHBondContact O-OG 2.8Å; V198-S201 PolarHBondContact O-N 3.49Å; L199-S201 PolarHBondContact O-N 3.48Å; S201-A205 WeakPolarHBondContact O-CB 3.47Å; S201-A205 PolarHBondContact O-N 3.33Å
202	V	98.4	Very high	97.1	Very high	96 Å²	96	61.7 Å²	61.7	58%	0.582	37%	0.37	S	S	*	.	H	α-helix	trans	-65.5	-45.7	177.6	169.7	0	0	0	0	110.9	V198 L199 K200 A205 G206	V198-V202 HydrophobicContact CG1-CG2 4.43Å; V198-V202 WeakPolarHBondContact O-CG2 3.24Å; V198-V202 PolarHBondContact O-N 3.01Å; L199-V202 PolarHBondContact O-N 3.26Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.9Å; V202-A205 PolarHBondContact O-N 3.23Å; V202-G206 PolarHBondContact O-N 3.22Å
203	I	98.4	Very high	97	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-46.9	178.1	-66.9	171.6	0	0	0	110.3	L122 T126 C137 A140 V141 L199 K200 A205 G206 C207	L122-I203 HydrophobicContact CD1-CD1 4.13Å; L122-I203 HydrophobicContact CD1-CG1 4.04Å; L122-I203 HydrophobicContact CD2-CG2 4.31Å; T126-I203 HydrophobicContact CG2-CD1 4.27Å; C137-I203 HydrophobicContact CB-CD1 4.1Å; A140-I203 HydrophobicContact CB-CB 3.81Å; A140-I203 HydrophobicContact CB-CD1 4.35Å; A140-I203 HydrophobicContact CB-CG2 3.64Å; V141-I203 HydrophobicContact CG2-CG2 3.7Å; L199-I203 HydrophobicContact CD1-CD1 3.81Å; L199-I203 HydrophobicContact CD1-CG1 4.34Å; L199-I203 HydrophobicContact CG-CD1 3.91Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.03Å; L199-I203 PolarHBondContact O-N 3.38Å; K200-I203 PolarHBondContact O-N 3.34Å; I203-A205 VanDerWaalsContact C-N 3.31Å; I203-A205 PolarHBondContact O-N 3.46Å; I203-G206 CarbonylContact O-C 3.58Å; I203-G206 WeakPolarHBondContact O-CA 3.16Å; I203-G206 PolarHBondContact O-N 3.07Å; I203-C207 PolarHBondContact O-N 3.48Å; I203-C207 PolarHBondContact O-SG 2.63Å; I203-C207 VanDerWaalsContact O-SG 3.36Å
204	Q	98.5	Very high	96.8	Very high	35 Å²	35	58.4 Å²	58.4	16%	0.164	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-38	177.3	-71.7	-176.5	-35.5	0	0	112.6	A140 E143 S144 K200 G206 C207 K208	A140-Q204 HydrophobicContact CB-CG 4.21Å; A140-Q204 WeakPolarHBondContact O-CG 3.46Å; E143-Q204 PolarHBondContact OE2-NE2 3.43Å; S144-Q204 WeakPolarHBondContact OG-CG 3.49Å; K200-Q204 HydrophobicContact CG-CG 4.37Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 VanDerWaalsContact O-CG 3.28Å; K200-Q204 WeakPolarHBondContact O-CG 3.29Å; K200-Q204 PolarHBondContact O-N 2.89Å; Q204-G206 VanDerWaalsContact C-N 3.35Å; Q204-C207 PolarHBondContact O-N 3.36Å; Q204-K208 WeakPolarHBondContact O-CG 3.49Å; Q204-K208 PolarHBondContact O-N 3.12Å
205	A	98.4	Very high	96.8	Very high	53 Å²	53	57.2 Å²	57.2	44%	0.438	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-42.7	172.8	0	0	0	0	0	111.4	S201 V202 I203 K208 V209	S201-A205 WeakPolarHBondContact O-CB 3.47Å; S201-A205 PolarHBondContact O-N 3.33Å; V202-A205 PolarHBondContact O-N 3.23Å; I203-A205 VanDerWaalsContact C-N 3.31Å; I203-A205 PolarHBondContact O-N 3.46Å; A205-K208 PolarHBondContact O-N 2.81Å; A205-V209 WeakPolarHBondContact O-CG2 3.48Å; A205-V209 PolarHBondContact O-N 3.32Å; A205-V209 VanDerWaalsContact O-N 3.11Å
206	G	97.9	Very high	96.4	Very high	41 Å²	41	60.2 Å²	60.2	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-47	172.7	0	0	0	0	0	112.8	V202 I203 Q204 K208 V209 A210	V202-G206 PolarHBondContact O-N 3.22Å; I203-G206 CarbonylContact O-C 3.58Å; I203-G206 WeakPolarHBondContact O-CA 3.16Å; I203-G206 PolarHBondContact O-N 3.07Å; Q204-G206 VanDerWaalsContact C-N 3.35Å; G206-K208 PolarHBondContact O-N 3.5Å; G206-V209 PolarHBondContact O-N 3.36Å; G206-A210 WeakPolarHBondContact O-CB 3.27Å; G206-A210 PolarHBondContact O-N 2.91Å
207	C	97.9	Very high	95.8	Very high	24 Å²	24	63 Å²	63	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-44.8	176.6	-66	0	0	0	0	111.8	I203 Q204 V209 A210 I211	I203-C207 PolarHBondContact O-N 3.48Å; I203-C207 PolarHBondContact O-SG 2.63Å; I203-C207 VanDerWaalsContact O-SG 3.36Å; Q204-C207 PolarHBondContact O-N 3.36Å; C207-V209 VanDerWaalsContact C-N 3.31Å; C207-V209 PolarHBondContact O-N 3.19Å; C207-A210 PolarHBondContact O-N 3.5Å; C207-I211 WeakPolarHBondContact O-CB 3.25Å; C207-I211 VanDerWaalsContact O-CG1 3.27Å; C207-I211 WeakPolarHBondContact O-CG1 3.5Å; C207-I211 PolarHBondContact O-N 3.43Å
208	K	97.6	Very high	95.8	Very high	141 Å²	141	62.9 Å²	62.9	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-58.6	-42.3	176.3	-73.3	171.8	-176.4	175.1	0	112.2	Q204 A205 G206 Y212	Q204-K208 WeakPolarHBondContact O-CG 3.49Å; Q204-K208 PolarHBondContact O-N 3.12Å; A205-K208 PolarHBondContact O-N 2.81Å; G206-K208 PolarHBondContact O-N 3.5Å; K208-Y212 WeakPolarHBondContact O-CB 3.36Å; K208-Y212 PolarHBondContact O-N 3.27Å
209	V	97.5	Very high	95.7	Very high	85 Å²	85	61.2 Å²	61.2	52%	0.515	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-45.1	175.7	172.2	0	0	0	0	111	A205 G206 C207 I211 Y212 L213	A205-V209 WeakPolarHBondContact O-CG2 3.48Å; A205-V209 PolarHBondContact O-N 3.32Å; A205-V209 VanDerWaalsContact O-N 3.11Å; G206-V209 PolarHBondContact O-N 3.36Å; C207-V209 VanDerWaalsContact C-N 3.31Å; C207-V209 PolarHBondContact O-N 3.19Å; V209-I211 PolarHBondContact O-N 3.11Å; V209-Y212 PolarHBondContact O-N 3.09Å; V209-L213 HydrophobicContact CG1-CD1 3.76Å; V209-L213 HydrophobicContact CG1-CG 4.29Å; V209-L213 WeakPolarHBondContact O-CB 3.06Å; V209-L213 VanDerWaalsContact O-CG 3.32Å; V209-L213 WeakPolarHBondContact O-CG 3.41Å; V209-L213 PolarHBondContact O-N 3.45Å
210	A	96.3	Very high	95.6	Very high	26 Å²	26	62.7 Å²	62.7	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-43.4	-180	0	0	0	0	0	112.2	W115 G206 C207 S214	W115-A210 HydrophobicContact CH2-CB 3.88Å; W115-A210 HydrophobicContact CZ2-CB 4.08Å; W115-A210 HydrophobicContact CZ3-CB 4.13Å; G206-A210 WeakPolarHBondContact O-CB 3.27Å; G206-A210 PolarHBondContact O-N 2.91Å; C207-A210 PolarHBondContact O-N 3.5Å; A210-S214 VanDerWaalsContact O-CB 3.23Å; A210-S214 WeakPolarHBondContact O-CB 3.38Å; A210-S214 PolarHBondContact O-N 3.13Å; A210-S214 PolarHBondContact O-OG 3.36Å
211	I	96.2	Very high	95.5	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.185	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-55.1	173.5	-71.4	164	0	0	0	109.7	V55 H148 C207 V209 L213 S214 E215	V55-I211 HydrophobicContact CG2-CB 4.27Å; V55-I211 HydrophobicContact CG2-CG1 4.37Å; V55-I211 HydrophobicContact CG2-CG2 4.04Å; H148-I211 HydrophobicContact CB-CD1 4.02Å; H148-I211 VanDerWaalsContact CE1-CG2 3.44Å; H148-I211 WeakPolarHBondContact CE1-CG2 3.48Å; H148-I211 WeakPolarHBondContact ND1-CG2 3.34Å; C207-I211 WeakPolarHBondContact O-CB 3.25Å; C207-I211 VanDerWaalsContact O-CG1 3.27Å; C207-I211 WeakPolarHBondContact O-CG1 3.5Å; C207-I211 PolarHBondContact O-N 3.43Å; V209-I211 PolarHBondContact O-N 3.11Å; I211-L213 VanDerWaalsContact C-N 3.28Å; I211-L213 PolarHBondContact O-N 3.35Å; I211-S214 PolarHBondContact O-N 3.42Å; I211-E215 WeakPolarHBondContact O-CG 3.34Å; I211-E215 PolarHBondContact O-N 3.22Å
212	Y	96.3	Very high	95.3	Very high	128 Å²	128	63.6 Å²	63.6	50%	0.502	34%	0.339	S	S	.	.	H	α-helix	trans	-55.2	-43	-177.8	173.7	-87.5	0	0	0	112.7	K208 V209 R216	K208-Y212 WeakPolarHBondContact O-CB 3.36Å; K208-Y212 PolarHBondContact O-N 3.27Å; V209-Y212 PolarHBondContact O-N 3.09Å; Y212-R216 VanDerWaalsContact CD2-CZ 3.44Å; Y212-R216 VanDerWaalsContact CE2-NH2 3.31Å; Y212-R216 WeakPolarHBondContact O-CD 2.89Å; Y212-R216 PolarHBondContact O-NH1 2.9Å; Y212-R216 PolarHBondContact OH-NE 3.48Å
213	L	95.9	Very high	95.1	Very high	55 Å²	55	61.5 Å²	61.5	29%	0.288	32%	0.322	S	S	.	.	H	α-helix	trans	-72.3	-43.6	-179.9	-69.4	174.9	0	0	0	111.8	L111 W115 V209 I211 E215 R216 L217	L111-L213 HydrophobicContact CD1-CB 3.63Å; L111-L213 HydrophobicContact CD1-CD1 4.3Å; W115-L213 HydrophobicContact CH2-CD1 4.22Å; W115-L213 HydrophobicContact CZ2-CB 4.37Å; V209-L213 HydrophobicContact CG1-CD1 3.76Å; V209-L213 HydrophobicContact CG1-CG 4.29Å; V209-L213 WeakPolarHBondContact O-CB 3.06Å; V209-L213 VanDerWaalsContact O-CG 3.32Å; V209-L213 WeakPolarHBondContact O-CG 3.41Å; V209-L213 PolarHBondContact O-N 3.45Å; I211-L213 VanDerWaalsContact C-N 3.28Å; I211-L213 PolarHBondContact O-N 3.35Å; L213-E215 VanDerWaalsContact C-N 3.3Å; L213-E215 PolarHBondContact O-N 2.64Å; L213-R216 PolarHBondContact O-N 3.38Å; L213-R216 VanDerWaalsContact O-N 3.09Å; L213-L217 HydrophobicContact CB-CD1 4.42Å; L213-L217 HydrophobicContact CD2-CD1 4.25Å; L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 3.25Å; L213-L217 VanDerWaalsContact O-N 3.07Å
214	S	93.4	Very high	94.8	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-71	-24.8	-177.1	-55.9	0	0	0	0	113	R54 W115 A210 I211 R216	R54-S214 VanDerWaalsContact CD-O 3.25Å; R54-S214 WeakPolarHBondContact CD-O 3.44Å; W115-S214 PolarHBondContact NE1-OG 3.21Å; A210-S214 VanDerWaalsContact O-CB 3.23Å; A210-S214 WeakPolarHBondContact O-CB 3.38Å; A210-S214 PolarHBondContact O-N 3.13Å; A210-S214 PolarHBondContact O-OG 3.36Å; I211-S214 PolarHBondContact O-N 3.42Å; S214-R216 PolarHBondContact O-N 3.39Å
215	E	89.1	Confident	94.6	Very high	59 Å²	59	67.5 Å²	67.5	28%	0.276	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.2	169.9	-76.9	-179.7	158.3	0	0	113.3	R51 V55 H148 I211 L213	R51-E215 WeakPolarHBondContact CG-O 3.27Å; V55-E215 HydrophobicContact CB-CG 3.96Å; V55-E215 HydrophobicContact CG1-CG 4.12Å; V55-E215 HydrophobicContact CG2-CG 4.03Å; H148-E215 IonicContact CE1-OE1 3.73Å; I211-E215 WeakPolarHBondContact O-CG 3.34Å; I211-E215 PolarHBondContact O-N 3.22Å; L213-E215 VanDerWaalsContact C-N 3.3Å; L213-E215 PolarHBondContact O-N 2.64Å
216	R	88.1	Confident	94.3	Very high	136 Å²	136	68.7 Å²	68.7	51%	0.513	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-27.2	-167.2	-72.1	170.2	177.5	66.4	6	113.9	Y212 L213 S214	Y212-R216 VanDerWaalsContact CD2-CZ 3.44Å; Y212-R216 VanDerWaalsContact CE2-NH2 3.31Å; Y212-R216 WeakPolarHBondContact O-CD 2.89Å; Y212-R216 PolarHBondContact O-NH1 2.9Å; Y212-R216 PolarHBondContact OH-NE 3.48Å; L213-R216 PolarHBondContact O-N 3.38Å; L213-R216 VanDerWaalsContact O-N 3.09Å; S214-R216 PolarHBondContact O-N 3.39Å
217	L	84.8	Confident	93.9	Very high	91 Å²	91	71.2 Å²	71.2	48%	0.476	34%	0.342	S	S	.	.			trans	-110.7	0	-169.2	-62	173.2	0	0	0	112.5	T109 V110 L111 L213	T109-L217 VanDerWaalsContact CA-O 3.22Å; T109-L217 WeakPolarHBondContact CA-O 3.49Å; T109-L217 WeakPolarHBondContact CB-O 3.34Å; T109-L217 PolarHBondContact OG1-O 3.22Å; V110-L217 HydrophobicContact CG2-CB 4.02Å; L111-L217 HydrophobicContact CD1-CB 4.49Å; L111-L217 HydrophobicContact CD1-CD1 3.74Å; L111-L217 HydrophobicContact CD2-CD1 4.4Å; L111-L217 HydrophobicContact CG-CB 4.45Å; L111-L217 HydrophobicContact CG-CD1 4.15Å; L213-L217 HydrophobicContact CB-CD1 4.42Å; L213-L217 HydrophobicContact CD2-CD1 4.25Å; L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 3.25Å; L213-L217 VanDerWaalsContact O-N 3.07Å

Retrieved 217 of 217 residues in 313.4 ms (Link to these results)

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