A0A087XBR7_POEFO Loading...

Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha

Essential subunit of both the farnesyltransferase and the geranylgeranyltransferase complex. Contributes to the transfer of a farnesyl or geranylgeranyl moiety from farnesyl or geranylgeranyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins having the C-terminal sequence Cys-aliphatic-aliphatic-X. May positively regulate neuromuscular junction development downstream of MUSK via its function in RAC1 prenylation and activation.

AlphaFold DB , UniProt , Accession A0A087XBR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	34	Very low	250 Å²	250	150.6 Å²	150.6	100%	1.232	86%	0.855	S	S	*	*				0	101.7	0	-59.1	-173.5	-171.1	0	0	105.1
2	S	34.6	Very low	33.8	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	86%	0.864	S	S	*	*				-163.7	102.7	63.2	-179.7	0	0	0	0	106.4
3	T	32	Very low	33.5	Very low	132 Å²	132	147.1 Å²	147.1	81%	0.81	85%	0.854	S	S	*	*				55.3	104.1	114.8	43.9	0	0	0	0	115.7
4	V	31.3	Very low	33.2	Very low	139 Å²	139	146.4 Å²	146.4	84%	0.842	85%	0.852	S	S	*	*			trans	-94.4	131.8	165.2	174.5	0	0	0	0	107
5	E	35.1	Very low	33	Very low	188 Å²	188	150.3 Å²	150.3	88%	0.879	86%	0.855	S	S	*	*			trans	-113.4	124.1	168.2	-82	-177.2	162.2	0	0	109.3
6	E	37.6	Very low	32.8	Very low	181 Å²	181	152.3 Å²	152.3	85%	0.846	86%	0.855	S	S	*	*			trans	-78.7	162.1	165.2	-73.9	-179.5	157.8	0	0	110.8
7	P	33.6	Very low	32.5	Very low	121 Å²	121	154.8 Å²	154.8	79%	0.786	86%	0.858	S	S	*	*			trans	-135.4	121.1	132	27.9	-10.8	0	0	0	114.7
8	S	30.6	Very low	32.3	Very low	110 Å²	110	157.4 Å²	157.4	77%	0.769	86%	0.859	S	S	*	*			trans	35.1	119.3	132.7	67.4	0	0	0	0	121.4
9	S	35.3	Very low	32.2	Very low	114 Å²	114	159 Å²	159	80%	0.797	86%	0.86	S	S	*	*			trans	-82.4	136.3	160.5	53.6	0	0	0	0	113.2
10	E	32.5	Very low	32	Very low	194 Å²	194	159 Å²	159	91%	0.907	86%	0.858	S	S	*	*			trans	-144.3	152.7	151.4	-91.7	-165.7	171.5	0	0	111.5
11	P	34.7	Very low	31.9	Very low	121 Å²	121	159 Å²	159	79%	0.786	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-100.6	142.5	-156.2	32.5	-20.9	0	0	0	113.7
12	L	31.2	Very low	31.6	Very low	184 Å²	184	152.7 Å²	152.7	96%	0.963	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80.2	123.2	173.7	-81	163	0	0	0	111
13	G	29.7	Very low	31.7	Very low	71 Å²	71	155 Å²	155	73%	0.732	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.1	148.6	-169.1	0	0	0	0	0	116.2
14	V	29.3	Very low	31.7	Very low	137 Å²	137	154.7 Å²	154.7	83%	0.83	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-58.7	130.7	167.7	178.3	0	0	0	0	110.1
15	K	30	Very low	31.6	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	82%	0.823	S	S	*	*			trans	-100.2	104.7	165	-86	-176.3	175.1	178.7	0	109.2
16	E	29.8	Very low	31.8	Very low	183 Å²	183	148 Å²	148	86%	0.855	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.6	128.3	164.1	-71.8	172.5	150.9	0	0	110.1
17	Q	28.5	Very low	31.5	Very low	194 Å²	194	148.4 Å²	148.4	91%	0.907	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.4	120.3	163.2	-86.8	178.8	-24.9	0	0	108.5
18	K	29.3	Very low	31.8	Very low	202 Å²	202	151.5 Å²	151.5	88%	0.878	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.1	173.3	-94.1	173.5	168	176.6	0	111.1
19	E	29.7	Very low	31.9	Very low	188 Å²	188	149 Å²	149	88%	0.879	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-53.5	136.8	158.8	-69.1	171.9	156	0	0	111
20	L	27.5	Very low	32.3	Very low	159 Å²	159	151.4 Å²	151.4	83%	0.832	81%	0.813	S	S	*	*			trans	-136	92.9	162.3	-102.3	157.7	0	0	0	106.7	V22	L20-V22 PolarHBondContact O-N 3.48Å
21	D	31.1	Very low	32.7	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	81%	0.807	S	S	*	*			trans	-57.4	120	159.5	-90.4	-30.8	0	0	0	109.1
22	V	29.6	Very low	32.9	Very low	118 Å²	118	152.6 Å²	152.6	72%	0.715	81%	0.812	S	S	*	*			trans	-139.6	97.4	153.6	-166.4	0	0	0	0	108.4	L20 V24	L20-V22 PolarHBondContact O-N 3.48Å; V22-V24 HydrophobicContact CG1-CG2 3.89Å; V22-V24 PolarHBondContact O-N 2.63Å
23	D	36.9	Very low	33.4	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	80%	0.8	S	S	*	*			trans	-64.7	114.6	159.7	-180	20.3	0	0	0	109.3
24	V	32.8	Very low	34	Very low	125 Å²	125	148.3 Å²	148.3	76%	0.758	80%	0.803	S	S	*	*			trans	-145.4	100.9	159.3	-172.9	0	0	0	0	110	V22	V22-V24 HydrophobicContact CG1-CG2 3.89Å; V22-V24 PolarHBondContact O-N 2.63Å
25	G	29.4	Very low	34.7	Very low	58 Å²	58	146.9 Å²	146.9	60%	0.598	79%	0.791	S	S	*	*				85.5	92.2	119.2	0	0	0	0	0	117	H27	G25-H27 PolarHBondContact O-N 3Å
26	D	38.6	Very low	35.6	Very low	128 Å²	128	143 Å²	143	68%	0.684	79%	0.789	S	S	*	*			trans	-58.4	112.2	156.6	-156.8	9.7	0	0	0	110.1	F28	D26-F28 WeakPolarHBondContact OD1-CD2 3.42Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.37Å
27	H	31.5	Very low	37	Very low	190 Å²	190	139.7 Å²	139.7	88%	0.88	78%	0.782	S	S	*	*			trans	-140.6	93.9	162.9	-108.9	41.7	0	0	0	109.7	G25 G29	G25-H27 PolarHBondContact O-N 3Å; H27-G29 PolarHBondContact O-N 2.9Å
28	F	40.6	Very low	39.4	Very low	186 Å²	186	140.3 Å²	140.3	82%	0.816	78%	0.776	S	S	*	*			trans	-50.5	110.9	166.1	-87.7	-105.3	0	0	0	111.1	D26	D26-F28 WeakPolarHBondContact OD1-CD2 3.42Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.37Å
29	G	31	Very low	42.2	Very low	57 Å²	57	134 Å²	134	59%	0.588	75%	0.747	S	S	*	*			trans	-120.5	105.2	161.6	0	0	0	0	0	108.6	H27 S31	H27-G29 PolarHBondContact O-N 2.9Å; G29-S31 PolarHBondContact O-N 3.48Å
30	D	43.6	Very low	45.3	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	73%	0.729	S	S	*	*			trans	-52.2	113.8	172.4	-85.9	-37.1	0	0	0	111.4
31	S	41.4	Very low	48.7	Very low	114 Å²	114	124.8 Å²	124.8	80%	0.797	70%	0.701	S	S	*	*			trans	162.5	71.6	144	-172.8	0	0	0	0	108.9	G29	G29-S31 PolarHBondContact O-N 3.48Å
32	Y	38.3	Very low	51.9	Low	226 Å²	226	117.4 Å²	117.4	89%	0.886	66%	0.661	S	S	*	*			trans	-91.2	106.5	165.4	-81.7	-83.6	0	0	0	108.4	A34	Y32-A34 PolarHBondContact O-N 3.22Å
33	G	42.2	Very low	55.1	Low	68 Å²	68	117.3 Å²	117.3	70%	0.701	65%	0.648	S	S	*	*			trans	-50.1	127.9	161.8	0	0	0	0	0	108.8	D35	G33-D35 PolarHBondContact O-N 3.38Å; G33-D35 VanDerWaalsContact O-N 3.11Å
34	A	42.6	Very low	58	Low	97 Å²	97	114.8 Å²	114.8	80%	0.802	63%	0.634	S	S	*	*			trans	-53.1	120.1	175.9	0	0	0	0	0	108.7	Y32 S36	Y32-A34 PolarHBondContact O-N 3.22Å; A34-S36 PolarHBondContact O-N 2.94Å
35	D	44.6	Very low	61	Low	107 Å²	107	111.2 Å²	111.2	57%	0.572	61%	0.607	S	S	*	*			trans	-59.3	106.4	169.6	-173.3	-6.1	0	0	0	107.6	G33 T37 R38	G33-D35 PolarHBondContact O-N 3.38Å; G33-D35 VanDerWaalsContact O-N 3.11Å; D35-T37 PolarHBondContact O-N 2.98Å; D35-T37 WeakPolarHBondContact OD1-CB 3.37Å; D35-T37 PolarHBondContact OD1-N 3.14Å; D35-T37 PolarHBondContact OD1-OG1 3.27Å; D35-T37 PolarHBondContact OD2-OG1 3.34Å; D35-R38 PolarHBondContact O-N 3.33Å; D35-R38 VanDerWaalsContact O-N 3.17Å
36	S	49	Very low	64.2	Low	122 Å²	122	117.7 Å²	117.7	85%	0.853	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-3.4	-177.6	57.4	0	0	0	0	112.9	A34	A34-S36 PolarHBondContact O-N 2.94Å
37	T	58.7	Low	67	Low	114 Å²	114	117 Å²	117	70%	0.699	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-9.1	178.8	70.7	0	0	0	0	114.2	D35	D35-T37 PolarHBondContact O-N 2.98Å; D35-T37 WeakPolarHBondContact OD1-CB 3.37Å; D35-T37 PolarHBondContact OD1-N 3.14Å; D35-T37 PolarHBondContact OD1-OG1 3.27Å; D35-T37 PolarHBondContact OD2-OG1 3.34Å
38	R	79.6	Confident	70.2	Confident	207 Å²	207	108.3 Å²	108.3	78%	0.781	57%	0.571	S	S	*	*	S	Bend	trans	-87.1	117.2	-178.8	-166.8	172.9	-179.4	171.9	-0.1	111.4	D35 I40	D35-R38 PolarHBondContact O-N 3.33Å; D35-R38 VanDerWaalsContact O-N 3.17Å; R38-I40 PolarHBondContact O-N 3.31Å
39	Y	87.5	Confident	72.9	Confident	69 Å²	69	103.6 Å²	103.6	27%	0.271	57%	0.567	S	S	.	*			trans	-56	132.4	171.7	175.6	-95.7	0	0	0	111.3	F41 K71 V75	Y39-F41 AromaticContact CE1-CD1 3.83Å; Y39-F41 HydrophobicContact CE1-CD1 3.83Å; Y39-F41 HydrophobicContact CE1-CE1 4.25Å; Y39-F41 HydrophobicContact CE1-CG 4.15Å; Y39-K71 HydrophobicContact CD1-CD 4.2Å; Y39-K71 HydrophobicContact CD1-CG 4.36Å; Y39-K71 HydrophobicContact CE1-CB 4.4Å; Y39-K71 HydrophobicContact CE1-CD 4.01Å; Y39-K71 HydrophobicContact CE1-CG 3.73Å; Y39-K71 HydrophobicContact CE2-CD 4.33Å; Y39-K71 HydrophobicContact CG-CD 4.44Å; Y39-V75 WeakPolarHBondContact OH-CG2 3.34Å
40	I	95	Very high	76.1	Confident	100 Å²	100	105.7 Å²	105.7	51%	0.513	56%	0.564	S	S	.	*			trans	-107.3	124.4	174.4	-55.3	176.7	0	0	0	108	R38 D44 R45	R38-I40 PolarHBondContact O-N 3.31Å; I40-D44 HydrophobicContact CG2-CB 4.02Å; I40-R45 HydrophobicContact CB-CG 4.47Å; I40-R45 HydrophobicContact CG2-CG 3.95Å; I40-R45 PolarHBondContact O-NE 2.89Å; I40-R45 PolarHBondContact O-NH2 3.13Å
41	F	97.8	Very high	78.7	Confident	54 Å²	54	98 Å²	98	24%	0.237	52%	0.523	C	S	.	.			trans	-60.2	144.4	175.8	-64.9	-83.1	0	0	0	110.9	Y39 R43 D44 R45 D70 K71 D74	Y39-F41 AromaticContact CE1-CD1 3.83Å; Y39-F41 HydrophobicContact CE1-CD1 3.83Å; Y39-F41 HydrophobicContact CE1-CE1 4.25Å; Y39-F41 HydrophobicContact CE1-CG 4.15Å; F41-R43 HydrophobicContact CB-CG 3.84Å; F41-R43 PolarHBondContact O-N 3.14Å; F41-D44 PolarHBondContact O-N 3.29Å; F41-R45 WeakPolarHBondContact O-CG 3.32Å; F41-R45 PolarHBondContact O-N 2.82Å; F41-D70 HydrophobicContact CE1-CB 3.95Å; F41-D70 HydrophobicContact CZ-CB 4.21Å; F41-K71 HydrophobicContact CE1-CB 4.21Å; F41-D74 WeakPolarHBondContact CA-OD2 3.16Å; F41-D74 WeakPolarHBondContact CB-OD2 3.31Å; F41-D74 HydrophobicContact CD1-CB 3.9Å
42	Y	98.1	Very high	81.4	Confident	4 Å²	4	100.3 Å²	100.3	2%	0.016	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-56.5	-37.7	177.5	-78.6	-89.6	0	0	0	112.4	D44 R45 W48 D74 V75 Y78 L95 D98	Y42-D44 PolarHBondContact O-N 3Å; Y42-D44 VanDerWaalsContact O-N 3.14Å; Y42-R45 VanDerWaalsContact CE1-NH1 3.32Å; Y42-R45 VanDerWaalsContact CZ-NH1 3.27Å; Y42-R45 PolarHBondContact O-N 3.48Å; Y42-R45 VanDerWaalsContact O-N 3.12Å; Y42-R45 PolarHBondContact OH-NH1 3.36Å; Y42-W48 AromaticContact CD1-CD1 3.94Å; Y42-W48 AromaticContact CD1-CD2 3.59Å; Y42-W48 HydrophobicContact CD1-CD2 3.59Å; Y42-W48 AromaticContact CD1-CE2 3.38Å; Y42-W48 HydrophobicContact CD1-CE3 4.11Å; Y42-W48 AromaticContact CD1-CG 3.95Å; Y42-W48 HydrophobicContact CD1-CG 3.95Å; Y42-W48 HydrophobicContact CD1-CH2 4.22Å; Y42-W48 AromaticContact CD1-CZ2 3.75Å; Y42-W48 HydrophobicContact CD1-CZ2 3.75Å; Y42-W48 HydrophobicContact CD1-CZ3 4.38Å; Y42-W48 AromaticContact CD1-NE1 3.61Å; Y42-W48 HydrophobicContact CE1-CD2 4.11Å; Y42-W48 AromaticContact CE1-CE2 3.42Å; Y42-W48 VanDerWaalsContact CE1-CE2 3.42Å; Y42-W48 AromaticContact CE1-CH2 3.98Å; Y42-W48 HydrophobicContact CE1-CH2 3.98Å; Y42-W48 AromaticContact CE1-CZ2 3.37Å; Y42-W48 HydrophobicContact CE1-CZ2 3.37Å; Y42-W48 AromaticContact CE1-NE1 3.68Å; Y42-D74 WeakPolarHBondContact CB-OD2 3.34Å; Y42-D74 PolarHBondContact N-OD2 2.87Å; Y42-V75 HydrophobicContact CD2-CG2 3.94Å; Y42-V75 HydrophobicContact CE2-CG2 3.77Å; Y42-Y78 HydrophobicContact CG-CD2 4.32Å; Y42-Y78 HydrophobicContact CG-CG 4.36Å; Y42-L95 HydrophobicContact CD1-CD1 3.88Å; Y42-L95 HydrophobicContact CE1-CB 4.12Å; Y42-L95 HydrophobicContact CE1-CD1 3.58Å; Y42-L95 HydrophobicContact CE1-CG 4.03Å; Y42-L95 HydrophobicContact CE2-CD1 4.39Å; Y42-L95 HydrophobicContact CE2-CG 4.49Å; Y42-L95 HydrophobicContact CG-CD1 4.4Å; Y42-L95 WeakPolarHBondContact OH-CA 3.32Å; Y42-D98 HydrophobicContact CE2-CB 4.37Å; Y42-D98 WeakPolarHBondContact CE2-OD2 3.5Å; Y42-D98 PolarHBondContact OH-OD2 3.25Å
43	R	97.5	Very high	84.2	Confident	116 Å²	116	91.9 Å²	91.9	44%	0.438	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-58.9	-22.1	173	67.2	-175.9	173.3	-116.2	5.3	115.2	F41 D74 Y78	F41-R43 HydrophobicContact CB-CG 3.84Å; F41-R43 PolarHBondContact O-N 3.14Å; R43-D74 WeakPolarHBondContact CG-OD1 3.27Å; R43-D74 PolarHBondContact N-OD1 2.91Å; R43-D74 IonicContact NH1-OD1 2.91Å; R43-Y78 WeakPolarHBondContact CA-OH 3.39Å; R43-Y78 HydrophobicContact CB-CE2 4.13Å
44	D	97.7	Very high	86.9	Confident	103 Å²	103	90.6 Å²	90.6	55%	0.551	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-102.3	-5.1	-178.5	-58.5	-40.3	0	0	0	112.4	I40 F41 Y42	I40-D44 HydrophobicContact CG2-CB 4.02Å; F41-D44 PolarHBondContact O-N 3.29Å; Y42-D44 PolarHBondContact O-N 3Å; Y42-D44 VanDerWaalsContact O-N 3.14Å
45	R	97.3	Very high	89.6	Confident	50 Å²	50	90.3 Å²	90.3	19%	0.189	46%	0.463	C	S	.	.			trans	-83.6	123.6	179.6	-67.4	179.6	-160.6	-173.8	9.1	110.5	I40 F41 Y42 E47 W48 D98	I40-R45 HydrophobicContact CB-CG 4.47Å; I40-R45 HydrophobicContact CG2-CG 3.95Å; I40-R45 PolarHBondContact O-NE 2.89Å; I40-R45 PolarHBondContact O-NH2 3.13Å; F41-R45 WeakPolarHBondContact O-CG 3.32Å; F41-R45 PolarHBondContact O-N 2.82Å; Y42-R45 VanDerWaalsContact CE1-NH1 3.32Å; Y42-R45 VanDerWaalsContact CZ-NH1 3.27Å; Y42-R45 PolarHBondContact O-N 3.48Å; Y42-R45 VanDerWaalsContact O-N 3.12Å; Y42-R45 PolarHBondContact OH-NH1 3.36Å; R45-E47 VanDerWaalsContact C-N 3.26Å; R45-E47 PolarHBondContact O-N 3.01Å; R45-W48 HydrophobicContact CB-CB 4.31Å; R45-W48 HydrophobicContact CB-CG 4.26Å; R45-W48 PolarHBondContact O-N 3.49Å; R45-D98 IonicContact NH2-OD2 2.81Å
46	K	96.7	Very high	92.1	Very high	195 Å²	195	88.7 Å²	88.7	85%	0.848	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-60.7	-35.4	-176	-69.5	-176.8	179.4	177.4	0	112.7	W48 A49	K46-W48 PolarHBondContact O-N 3.42Å; K46-A49 WeakPolarHBondContact O-CB 3.35Å; K46-A49 PolarHBondContact O-N 2.96Å
47	E	97	Very high	94.5	Very high	113 Å²	113	89.8 Å²	89.8	53%	0.528	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-74.1	-0.6	178.5	72.4	-77.2	-176.5	0	0	114.4	R45 R91	R45-E47 VanDerWaalsContact C-N 3.26Å; R45-E47 PolarHBondContact O-N 3.01Å; E47-R91 PolarHBondContact O-NH1 3.2Å
48	W	98.1	Very high	96.3	Very high	7 Å²	7	87.4 Å²	87.4	3%	0.027	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-113.9	0.4	174.1	-70	85.3	0	0	0	113.2	Y42 R45 K46 D50 L51 Y78 L82 R91 L95	Y42-W48 AromaticContact CD1-CD1 3.94Å; Y42-W48 AromaticContact CD1-CD2 3.59Å; Y42-W48 HydrophobicContact CD1-CD2 3.59Å; Y42-W48 AromaticContact CD1-CE2 3.38Å; Y42-W48 HydrophobicContact CD1-CE3 4.11Å; Y42-W48 AromaticContact CD1-CG 3.95Å; Y42-W48 HydrophobicContact CD1-CG 3.95Å; Y42-W48 HydrophobicContact CD1-CH2 4.22Å; Y42-W48 AromaticContact CD1-CZ2 3.75Å; Y42-W48 HydrophobicContact CD1-CZ2 3.75Å; Y42-W48 HydrophobicContact CD1-CZ3 4.38Å; Y42-W48 AromaticContact CD1-NE1 3.61Å; Y42-W48 HydrophobicContact CE1-CD2 4.11Å; Y42-W48 AromaticContact CE1-CE2 3.42Å; Y42-W48 VanDerWaalsContact CE1-CE2 3.42Å; Y42-W48 AromaticContact CE1-CH2 3.98Å; Y42-W48 HydrophobicContact CE1-CH2 3.98Å; Y42-W48 AromaticContact CE1-CZ2 3.37Å; Y42-W48 HydrophobicContact CE1-CZ2 3.37Å; Y42-W48 AromaticContact CE1-NE1 3.68Å; R45-W48 HydrophobicContact CB-CB 4.31Å; R45-W48 HydrophobicContact CB-CG 4.26Å; R45-W48 PolarHBondContact O-N 3.49Å; K46-W48 PolarHBondContact O-N 3.42Å; W48-D50 PolarHBondContact O-N 3.25Å; W48-L51 HydrophobicContact CE3-CD2 3.95Å; W48-L51 HydrophobicContact CZ3-CD2 3.85Å; W48-L51 PolarHBondContact O-N 2.99Å; W48-Y78 HydrophobicContact CB-CE1 3.93Å; W48-Y78 HydrophobicContact CD2-CD1 4.28Å; W48-Y78 HydrophobicContact CD2-CE1 4.49Å; W48-Y78 AromaticContact CE3-CD1 3.43Å; W48-Y78 HydrophobicContact CE3-CD1 3.43Å; W48-Y78 VanDerWaalsContact CE3-CD1 3.43Å; W48-Y78 AromaticContact CE3-CE1 3.9Å; W48-Y78 HydrophobicContact CE3-CE1 3.9Å; W48-Y78 HydrophobicContact CE3-CG 4.32Å; W48-Y78 AromaticContact CZ3-CD1 3.99Å; W48-Y78 HydrophobicContact CZ3-CD1 3.99Å; W48-L82 HydrophobicContact CH2-CD1 3.81Å; W48-L82 HydrophobicContact CH2-CD2 4.39Å; W48-L82 HydrophobicContact CH2-CG 4.45Å; W48-L82 HydrophobicContact CZ3-CD1 3.85Å; W48-L82 HydrophobicContact CZ3-CD2 3.99Å; W48-L82 HydrophobicContact CZ3-CG 4.04Å; W48-R91 HydrophobicContact CH2-CB 4.14Å; W48-R91 HydrophobicContact CH2-CG 4.04Å; W48-R91 WeakPolarHBondContact CH2-O 3.35Å; W48-R91 HydrophobicContact CZ2-CB 3.63Å; W48-R91 HydrophobicContact CZ2-CG 3.98Å; W48-R91 WeakPolarHBondContact CZ2-O 3.49Å; W48-L95 HydrophobicContact CH2-CB 3.78Å; W48-L95 HydrophobicContact CH2-CD1 3.42Å; W48-L95 VanDerWaalsContact CH2-CD1 3.42Å; W48-L95 HydrophobicContact CH2-CG 4.23Å; W48-L95 HydrophobicContact CZ2-CB 4.15Å; W48-L95 HydrophobicContact CZ2-CD1 4.12Å; W48-L95 HydrophobicContact CZ3-CD1 3.69Å
49	A	97.3	Very high	97.2	Very high	87 Å²	87	79.3 Å²	79.3	72%	0.719	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.7	-175.7	0	0	0	0	0	114.1	K46 L51	K46-A49 WeakPolarHBondContact O-CB 3.35Å; K46-A49 PolarHBondContact O-N 2.96Å; A49-L51 VanDerWaalsContact C-N 3.3Å
50	D	97.8	Very high	97.6	Very high	102 Å²	102	81.9 Å²	81.9	55%	0.545	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.7	174.4	65	-66.6	0	0	0	113.5	W48 R91	W48-D50 PolarHBondContact O-N 3.25Å; D50-R91 VanDerWaalsContact CG-NH1 3.32Å; D50-R91 IonicContact OD1-CZ 3.44Å; D50-R91 IonicContact OD1-NH1 3.28Å; D50-R91 PolarHBondContact OD1-NH1 3.43Å; D50-R91 IonicContact OD1-NH2 2.82Å; D50-R91 IonicContact OD2-CZ 3.8Å; D50-R91 IonicContact OD2-NH1 3.71Å; D50-R91 PolarHBondContact OD2-NH1 3Å; D50-R91 VanDerWaalsContact OD2-NH1 3.16Å; D50-R91 IonicContact OD2-NH2 2.7Å; D50-R91 PolarHBondContact OD2-NH2 2.88Å
51	L	98.1	Very high	97.8	Very high	3 Å²	3	83.8 Å²	83.8	2%	0.016	45%	0.449	C	S	.	.	S	Bend	trans	-111.9	112.6	-178.7	-172	61	0	0	0	110.6	W48 A49 Y78 A81 L82 K85	W48-L51 HydrophobicContact CE3-CD2 3.95Å; W48-L51 HydrophobicContact CZ3-CD2 3.85Å; W48-L51 PolarHBondContact O-N 2.99Å; A49-L51 VanDerWaalsContact C-N 3.3Å; L51-Y78 HydrophobicContact CB-CE1 4.31Å; L51-Y78 HydrophobicContact CD2-CD1 4.08Å; L51-Y78 HydrophobicContact CG-CD1 4.37Å; L51-Y78 HydrophobicContact CG-CE1 4.49Å; L51-Y78 WeakPolarHBondContact O-CE1 3.26Å; L51-A81 HydrophobicContact CD1-CB 3.91Å; L51-A81 HydrophobicContact CD2-CB 3.97Å; L51-A81 HydrophobicContact CG-CB 3.84Å; L51-L82 HydrophobicContact CD2-CD2 3.58Å; L51-L82 HydrophobicContact CD2-CG 3.81Å; L51-K85 HydrophobicContact CD1-CD 3.68Å; L51-K85 VanDerWaalsContact CD1-NZ 3.26Å
52	E	98.1	Very high	97.7	Very high	163 Å²	163	83.7 Å²	83.7	76%	0.762	45%	0.453	S	S	*	.			trans	-72.2	124.9	171.9	-170.5	176.7	-175.1	0	0	110.1	A81	E52-A81 VanDerWaalsContact O-CB 3.28Å; E52-A81 WeakPolarHBondContact O-CB 3.19Å
53	P	98.4	Very high	97.7	Very high	49 Å²	49	89.4 Å²	89.4	32%	0.318	49%	0.488	S	S	.	.			trans	-62.2	146.5	177	22.4	-30.4	0	0	0	111.2	P55 D77 Y78	P53-P55 WeakPolarHBondContact O-CD 3.16Å; P53-D77 HydrophobicContact CB-CB 3.73Å; P53-Y78 HydrophobicContact CB-CD2 4.14Å; P53-Y78 HydrophobicContact CB-CE2 3.93Å; P53-Y78 HydrophobicContact CG-CE2 4.26Å
54	V	98.8	Very high	97.7	Very high	41 Å²	41	90.8 Å²	90.8	25%	0.248	51%	0.509	C	S	.	.			trans	-111.4	106.2	177.9	176.5	0	0	0	0	109.5	D77 R80 A81 K84	V54-D77 PolarHBondContact N-O 3.27Å; V54-D77 WeakPolarHBondContact O-CA 3.5Å; V54-R80 HydrophobicContact CB-CB 3.88Å; V54-R80 HydrophobicContact CG1-CB 4.1Å; V54-R80 WeakPolarHBondContact O-CB 3.41Å; V54-R80 WeakPolarHBondContact O-CD 3.41Å; V54-R80 PolarHBondContact O-NE 3.39Å; V54-A81 HydrophobicContact CB-CB 4.33Å; V54-A81 HydrophobicContact CG2-CB 3.83Å; V54-K84 HydrophobicContact CG2-CD 4.35Å
55	P	98.3	Very high	97.7	Very high	90 Å²	90	92.6 Å²	92.6	58%	0.584	51%	0.512	S	S	*	.			trans	-58.7	153.3	177.4	-26.6	36	0	0	0	113.7	P53 D57 D77	P53-P55 WeakPolarHBondContact O-CD 3.16Å; P55-D57 PolarHBondContact O-N 3.28Å; P55-D77 VanDerWaalsContact CA-OD1 3.32Å; P55-D77 WeakPolarHBondContact CA-OD1 3.42Å
56	Q	98.3	Very high	97.8	Very high	73 Å²	73	94.9 Å²	94.9	34%	0.341	53%	0.527	S	S	.	.			trans	-69.4	127	168.3	-166.3	164.8	-65.8	0	0	110.1	D58 Y68 R80	Q56-D58 WeakPolarHBondContact CG-OD1 3.38Å; Q56-D58 PolarHBondContact NE2-OD1 3.05Å; Q56-D58 PolarHBondContact O-N 3.08Å; Q56-Y68 PolarHBondContact NE2-OH 2.93Å; Q56-R80 VanDerWaalsContact OE1-NH1 3.1Å
57	D	97.9	Very high	97.8	Very high	145 Å²	145	90.6 Å²	90.6	78%	0.775	53%	0.528	S	S	*	.			trans	-93.4	94.7	173.6	-175.8	10.9	0	0	0	110.3	P55 G59	P55-D57 PolarHBondContact O-N 3.28Å; D57-G59 VanDerWaalsContact C-N 3.26Å; D57-G59 WeakPolarHBondContact OD1-CA 3.38Å; D57-G59 PolarHBondContact OD1-N 3.48Å
58	D	97.8	Very high	97.9	Very high	64 Å²	64	88.9 Å²	88.9	34%	0.342	52%	0.517	S	S	.	.			trans	-87.6	7.2	173.5	-63.3	-32.6	0	0	0	112.5	Q56 P62	Q56-D58 WeakPolarHBondContact CG-OD1 3.38Å; Q56-D58 PolarHBondContact NE2-OD1 3.05Å; Q56-D58 PolarHBondContact O-N 3.08Å; D58-P62 HydrophobicContact CB-CB 3.66Å
59	G	97.6	Very high	97.9	Very high	37 Å²	37	91.8 Å²	91.8	38%	0.381	54%	0.539	S	S	.	.			trans	71.8	-179.9	-175.1	0	0	0	0	0	114.6	D57 N61	D57-G59 VanDerWaalsContact C-N 3.26Å; D57-G59 WeakPolarHBondContact OD1-CA 3.38Å; D57-G59 PolarHBondContact OD1-N 3.48Å; G59-N61 VanDerWaalsContact C-N 3.33Å; G59-N61 PolarHBondContact O-N 3.38Å
60	P	97.2	Very high	97.9	Very high	124 Å²	124	92.9 Å²	92.9	81%	0.805	53%	0.532	S	S	*	.	S	Bend	trans	-73	-21.8	-174.8	28	-35	0	0	0	114.2
61	N	97.5	Very high	97.9	Very high	140 Å²	140	91.9 Å²	91.9	75%	0.749	52%	0.523	S	S	*	.	S	Bend	trans	-130.6	76.8	-179.1	-60.8	-73.3	0	0	0	109.3	G59	G59-N61 VanDerWaalsContact C-N 3.33Å; G59-N61 PolarHBondContact O-N 3.38Å
62	P	97.4	Very high	98	Very high	52 Å²	52	93.2 Å²	93.2	34%	0.338	53%	0.529	S	S	.	.			trans	-71.4	138.2	-169.6	31.1	-37.5	0	0	0	111.3	D58 K65	D58-P62 HydrophobicContact CB-CB 3.66Å; P62-K65 HydrophobicContact CB-CB 4.12Å; P62-K65 HydrophobicContact CB-CD 4.03Å; P62-K65 HydrophobicContact CB-CG 4.41Å; P62-K65 HydrophobicContact CG-CB 4.41Å; P62-K65 HydrophobicContact CG-CD 3.73Å
63	V	97.7	Very high	98	Very high	124 Å²	124	86.9 Å²	86.9	75%	0.752	51%	0.505	S	S	*	.	S	Bend	trans	-109.9	149.2	174.8	-66.7	0	0	0	0	109.7	K65	V63-K65 PolarHBondContact O-N 3.11Å
64	V	97.8	Very high	98	Very high	144 Å²	144	84.8 Å²	84.8	87%	0.873	49%	0.491	S	S	*	.	S	Bend	trans	47.5	31.2	-175.7	-60.5	0	0	0	0	113.7	I66	V64-I66 PolarHBondContact O-N 3.21Å
65	K	97.4	Very high	98	Very high	142 Å²	142	82.9 Å²	82.9	62%	0.617	48%	0.479	S	S	*	.			trans	-61.9	125.4	-177.5	-173.6	175.8	-179.2	175	0	110.2	P62 V63	P62-K65 HydrophobicContact CB-CB 4.12Å; P62-K65 HydrophobicContact CB-CD 4.03Å; P62-K65 HydrophobicContact CB-CG 4.41Å; P62-K65 HydrophobicContact CG-CB 4.41Å; P62-K65 HydrophobicContact CG-CD 3.73Å; V63-K65 PolarHBondContact O-N 3.11Å
66	I	98.1	Very high	98	Very high	98 Å²	98	78.9 Å²	78.9	50%	0.503	45%	0.452	S	S	.	.			trans	-87.7	130.9	175.9	-58.4	169.8	0	0	0	108.3	V64 Y68	V64-I66 PolarHBondContact O-N 3.21Å; I66-Y68 VanDerWaalsContact C-N 3.3Å; I66-Y68 HydrophobicContact CB-CD1 3.97Å; I66-Y68 HydrophobicContact CB-CE1 3.51Å; I66-Y68 HydrophobicContact CB-CE2 4.26Å; I66-Y68 HydrophobicContact CD1-CE1 3.88Å; I66-Y68 HydrophobicContact CG1-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CD1 3.52Å; I66-Y68 HydrophobicContact CG2-CE1 3.45Å; I66-Y68 VanDerWaalsContact CG2-CE1 3.45Å; I66-Y68 HydrophobicContact CG2-CG 4.27Å; I66-Y68 PolarHBondContact O-N 3.09Å
67	A	97.9	Very high	98	Very high	104 Å²	104	77 Å²	77	86%	0.86	45%	0.445	S	S	*	.			trans	-78.7	82.3	169.3	0	0	0	0	0	109.1
68	Y	98.1	Very high	98.1	Very high	78 Å²	78	70.6 Å²	70.6	31%	0.306	41%	0.41	S	S	.	.			trans	-63.5	148.6	179.4	-58.7	-60.7	0	0	0	111.9	Q56 I66 F72	Q56-Y68 PolarHBondContact NE2-OH 2.93Å; I66-Y68 VanDerWaalsContact C-N 3.3Å; I66-Y68 HydrophobicContact CB-CD1 3.97Å; I66-Y68 HydrophobicContact CB-CE1 3.51Å; I66-Y68 HydrophobicContact CB-CE2 4.26Å; I66-Y68 HydrophobicContact CD1-CE1 3.88Å; I66-Y68 HydrophobicContact CG1-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CD1 3.52Å; I66-Y68 HydrophobicContact CG2-CE1 3.45Å; I66-Y68 VanDerWaalsContact CG2-CE1 3.45Å; I66-Y68 HydrophobicContact CG2-CG 4.27Å; I66-Y68 PolarHBondContact O-N 3.09Å; Y68-F72 AromaticContact CD1-CD1 3.22Å; Y68-F72 HydrophobicContact CD1-CD1 3.22Å; Y68-F72 AromaticContact CD1-CE1 3.31Å; Y68-F72 HydrophobicContact CD1-CE1 3.31Å; Y68-F72 AromaticContact CD1-CG 3.91Å; Y68-F72 HydrophobicContact CD1-CG 3.91Å; Y68-F72 HydrophobicContact CD1-CZ 4.03Å; Y68-F72 HydrophobicContact CD2-CD1 4.35Å; Y68-F72 AromaticContact CE1-CD1 3.79Å; Y68-F72 HydrophobicContact CE1-CD1 3.79Å; Y68-F72 AromaticContact CE1-CE1 3.32Å; Y68-F72 HydrophobicContact CE1-CE1 3.32Å; Y68-F72 AromaticContact CE1-CZ 3.86Å; Y68-F72 HydrophobicContact CE1-CZ 3.86Å; Y68-F72 AromaticContact CG-CD1 3.56Å; Y68-F72 HydrophobicContact CG-CD1 3.56Å; Y68-F72 AromaticContact CG-CE1 3.96Å; Y68-F72 HydrophobicContact CG-CE1 3.96Å; Y68-F72 HydrophobicContact CG-CG 4.36Å; Y68-F72 AromaticContact CZ-CE1 3.99Å
69	S	98.3	Very high	98.1	Very high	68 Å²	68	68 Å²	68	48%	0.476	40%	0.395	S	S	.	.			trans	-69	157.7	165.8	67.8	0	0	0	0	110.6	K71 F72 A73	S69-K71 PolarHBondContact O-N 3.12Å; S69-F72 PolarHBondContact O-N 2.87Å; S69-F72 WeakPolarHBondContact OG-CB 3.42Å; S69-F72 PolarHBondContact OG-N 2.77Å; S69-A73 PolarHBondContact O-N 3.16Å
70	D	97.6	Very high	98.2	Very high	110 Å²	110	68.5 Å²	68.5	59%	0.588	39%	0.385	S	S	*	.	H	α-helix	trans	-57	-36.3	177.4	-67.2	-8.8	0	0	0	112.3	F41 D74	F41-D70 HydrophobicContact CE1-CB 3.95Å; F41-D70 HydrophobicContact CZ-CB 4.21Å; D70-D74 WeakPolarHBondContact O-CB 3.37Å; D70-D74 PolarHBondContact O-N 3.41Å
71	K	98.1	Very high	98.3	Very high	80 Å²	80	62.7 Å²	62.7	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-43.8	176.6	179.5	178.5	177.7	-173.9	0	110.7	Y39 F41 S69 V75 L102	Y39-K71 HydrophobicContact CD1-CD 4.2Å; Y39-K71 HydrophobicContact CD1-CG 4.36Å; Y39-K71 HydrophobicContact CE1-CB 4.4Å; Y39-K71 HydrophobicContact CE1-CD 4.01Å; Y39-K71 HydrophobicContact CE1-CG 3.73Å; Y39-K71 HydrophobicContact CE2-CD 4.33Å; Y39-K71 HydrophobicContact CG-CD 4.44Å; F41-K71 HydrophobicContact CE1-CB 4.21Å; S69-K71 PolarHBondContact O-N 3.12Å; K71-V75 WeakPolarHBondContact O-CG2 3.37Å; K71-V75 PolarHBondContact O-N 3.49Å; K71-L102 HydrophobicContact CD-CD2 4.36Å; K71-L102 HydrophobicContact CG-CD2 4.38Å
72	F	98.7	Very high	98.3	Very high	31 Å²	31	56 Å²	56	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-48.3	179.5	-172.5	-74.1	0	0	0	111.2	Y68 S69 D74 Y76 L102 N103	Y68-F72 AromaticContact CD1-CD1 3.22Å; Y68-F72 HydrophobicContact CD1-CD1 3.22Å; Y68-F72 AromaticContact CD1-CE1 3.31Å; Y68-F72 HydrophobicContact CD1-CE1 3.31Å; Y68-F72 AromaticContact CD1-CG 3.91Å; Y68-F72 HydrophobicContact CD1-CG 3.91Å; Y68-F72 HydrophobicContact CD1-CZ 4.03Å; Y68-F72 HydrophobicContact CD2-CD1 4.35Å; Y68-F72 AromaticContact CE1-CD1 3.79Å; Y68-F72 HydrophobicContact CE1-CD1 3.79Å; Y68-F72 AromaticContact CE1-CE1 3.32Å; Y68-F72 HydrophobicContact CE1-CE1 3.32Å; Y68-F72 AromaticContact CE1-CZ 3.86Å; Y68-F72 HydrophobicContact CE1-CZ 3.86Å; Y68-F72 AromaticContact CG-CD1 3.56Å; Y68-F72 HydrophobicContact CG-CD1 3.56Å; Y68-F72 AromaticContact CG-CE1 3.96Å; Y68-F72 HydrophobicContact CG-CE1 3.96Å; Y68-F72 HydrophobicContact CG-CG 4.36Å; Y68-F72 AromaticContact CZ-CE1 3.99Å; S69-F72 PolarHBondContact O-N 2.87Å; S69-F72 WeakPolarHBondContact OG-CB 3.42Å; S69-F72 PolarHBondContact OG-N 2.77Å; F72-D74 VanDerWaalsContact C-N 3.35Å; F72-D74 PolarHBondContact O-N 3.21Å; F72-Y76 AromaticContact CD1-CD2 3.74Å; F72-Y76 HydrophobicContact CD1-CD2 3.74Å; F72-Y76 HydrophobicContact CD1-CE2 4.38Å; F72-Y76 HydrophobicContact CD1-CG 4.38Å; F72-Y76 HydrophobicContact CD2-CD2 4.2Å; F72-Y76 HydrophobicContact CD2-CE2 4.12Å; F72-Y76 AromaticContact CE1-CD2 3.42Å; F72-Y76 HydrophobicContact CE1-CD2 3.42Å; F72-Y76 VanDerWaalsContact CE1-CD2 3.42Å; F72-Y76 AromaticContact CE1-CE2 3.85Å; F72-Y76 HydrophobicContact CE1-CE2 3.85Å; F72-Y76 AromaticContact CE1-CG 3.89Å; F72-Y76 HydrophobicContact CE1-CG 3.89Å; F72-Y76 AromaticContact CE2-CD2 3.92Å; F72-Y76 HydrophobicContact CE2-CD2 3.92Å; F72-Y76 AromaticContact CE2-CE2 3.56Å; F72-Y76 HydrophobicContact CE2-CE2 3.56Å; F72-Y76 HydrophobicContact CG-CD2 4.11Å; F72-Y76 HydrophobicContact CG-CE2 4.5Å; F72-Y76 AromaticContact CZ-CD2 3.52Å; F72-Y76 HydrophobicContact CZ-CD2 3.52Å; F72-Y76 AromaticContact CZ-CE2 3.41Å; F72-Y76 HydrophobicContact CZ-CE2 3.41Å; F72-Y76 VanDerWaalsContact CZ-CE2 3.41Å; F72-Y76 HydrophobicContact CZ-CG 4.23Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 WeakPolarHBondContact O-CD2 3.5Å; F72-Y76 PolarHBondContact O-N 3.01Å; F72-L102 HydrophobicContact CD2-CB 3.91Å; F72-L102 HydrophobicContact CD2-CD1 4.43Å; F72-L102 HydrophobicContact CD2-CD2 4.32Å; F72-L102 HydrophobicContact CD2-CG 4.47Å; F72-L102 HydrophobicContact CE2-CB 4.16Å; F72-N103 HydrophobicContact CE2-CB 4.14Å
73	A	98.4	Very high	98.4	Very high	31 Å²	31	56.7 Å²	56.7	26%	0.256	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-47.1	177.9	0	0	0	0	0	111.4	S69 Y76 D77	S69-A73 PolarHBondContact O-N 3.16Å; A73-Y76 PolarHBondContact O-N 2.95Å; A73-D77 WeakPolarHBondContact O-CB 3.22Å; A73-D77 PolarHBondContact O-N 3.22Å
74	D	98.6	Very high	98.4	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-53.2	179	-178.2	75	0	0	0	112.4	F41 Y42 R43 D70 F72 Y76 D77 Y78	F41-D74 WeakPolarHBondContact CA-OD2 3.16Å; F41-D74 WeakPolarHBondContact CB-OD2 3.31Å; F41-D74 HydrophobicContact CD1-CB 3.9Å; Y42-D74 WeakPolarHBondContact CB-OD2 3.34Å; Y42-D74 PolarHBondContact N-OD2 2.87Å; R43-D74 WeakPolarHBondContact CG-OD1 3.27Å; R43-D74 PolarHBondContact N-OD1 2.91Å; R43-D74 IonicContact NH1-OD1 2.91Å; D70-D74 WeakPolarHBondContact O-CB 3.37Å; D70-D74 PolarHBondContact O-N 3.41Å; F72-D74 VanDerWaalsContact C-N 3.35Å; F72-D74 PolarHBondContact O-N 3.21Å; D74-Y76 VanDerWaalsContact C-N 3.35Å; D74-Y76 PolarHBondContact O-N 3.5Å; D74-D77 PolarHBondContact O-N 3.41Å; D74-Y78 WeakPolarHBondContact O-CD2 3.28Å; D74-Y78 PolarHBondContact O-N 3.18Å
75	V	98.8	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-44.8	178.9	174.8	0	0	0	0	111.7	Y39 Y42 K71 Y78 F79 L95 D98 A99 L102	Y39-V75 WeakPolarHBondContact OH-CG2 3.34Å; Y42-V75 HydrophobicContact CD2-CG2 3.94Å; Y42-V75 HydrophobicContact CE2-CG2 3.77Å; K71-V75 WeakPolarHBondContact O-CG2 3.37Å; K71-V75 PolarHBondContact O-N 3.49Å; V75-Y78 PolarHBondContact O-N 3.42Å; V75-F79 WeakPolarHBondContact O-CB 3.49Å; V75-F79 PolarHBondContact O-N 3.44Å; V75-L95 HydrophobicContact CG1-CD2 4.45Å; V75-D98 HydrophobicContact CG1-CB 4.18Å; V75-D98 HydrophobicContact CG2-CB 4.34Å; V75-A99 HydrophobicContact CG1-CB 3.84Å; V75-L102 HydrophobicContact CB-CD1 3.56Å; V75-L102 HydrophobicContact CG1-CD1 3.87Å; V75-L102 HydrophobicContact CG2-CD1 3.59Å
76	Y	98.8	Very high	98.5	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-75.3	-26.7	-175.8	-87	-85.4	0	0	0	113.5	F72 A73 D74 F79 R80 A99 L102 N106 V109	F72-Y76 AromaticContact CD1-CD2 3.74Å; F72-Y76 HydrophobicContact CD1-CD2 3.74Å; F72-Y76 HydrophobicContact CD1-CE2 4.38Å; F72-Y76 HydrophobicContact CD1-CG 4.38Å; F72-Y76 HydrophobicContact CD2-CD2 4.2Å; F72-Y76 HydrophobicContact CD2-CE2 4.12Å; F72-Y76 AromaticContact CE1-CD2 3.42Å; F72-Y76 HydrophobicContact CE1-CD2 3.42Å; F72-Y76 VanDerWaalsContact CE1-CD2 3.42Å; F72-Y76 AromaticContact CE1-CE2 3.85Å; F72-Y76 HydrophobicContact CE1-CE2 3.85Å; F72-Y76 AromaticContact CE1-CG 3.89Å; F72-Y76 HydrophobicContact CE1-CG 3.89Å; F72-Y76 AromaticContact CE2-CD2 3.92Å; F72-Y76 HydrophobicContact CE2-CD2 3.92Å; F72-Y76 AromaticContact CE2-CE2 3.56Å; F72-Y76 HydrophobicContact CE2-CE2 3.56Å; F72-Y76 HydrophobicContact CG-CD2 4.11Å; F72-Y76 HydrophobicContact CG-CE2 4.5Å; F72-Y76 AromaticContact CZ-CD2 3.52Å; F72-Y76 HydrophobicContact CZ-CD2 3.52Å; F72-Y76 AromaticContact CZ-CE2 3.41Å; F72-Y76 HydrophobicContact CZ-CE2 3.41Å; F72-Y76 VanDerWaalsContact CZ-CE2 3.41Å; F72-Y76 HydrophobicContact CZ-CG 4.23Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 WeakPolarHBondContact O-CD2 3.5Å; F72-Y76 PolarHBondContact O-N 3.01Å; A73-Y76 PolarHBondContact O-N 2.95Å; D74-Y76 VanDerWaalsContact C-N 3.35Å; D74-Y76 PolarHBondContact O-N 3.5Å; Y76-F79 HydrophobicContact CD1-CD1 4.15Å; Y76-F79 HydrophobicContact CE1-CD1 4.38Å; Y76-R80 WeakPolarHBondContact O-CB 3.17Å; Y76-R80 WeakPolarHBondContact O-CG 3.24Å; Y76-R80 VanDerWaalsContact O-CZ 3.25Å; Y76-R80 PolarHBondContact O-N 3.25Å; Y76-R80 PolarHBondContact O-NE 2.88Å; Y76-A99 PolarHBondContact OH-O 3.27Å; Y76-L102 HydrophobicContact CE2-CB 4.12Å; Y76-L102 HydrophobicContact CE2-CD1 4.44Å; Y76-N106 VanDerWaalsContact CE1-ND2 3.34Å; Y76-N106 WeakPolarHBondContact CE1-ND2 3.41Å; Y76-V109 HydrophobicContact CE1-CG2 4.08Å
77	D	98.8	Very high	98.5	Very high	33 Å²	33	52 Å²	52	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-42.7	171.4	-75.6	-6.6	0	0	0	111.1	P53 V54 P55 A73 D74 R80 A81	P53-D77 HydrophobicContact CB-CB 3.73Å; V54-D77 PolarHBondContact N-O 3.27Å; V54-D77 WeakPolarHBondContact O-CA 3.5Å; P55-D77 VanDerWaalsContact CA-OD1 3.32Å; P55-D77 WeakPolarHBondContact CA-OD1 3.42Å; A73-D77 WeakPolarHBondContact O-CB 3.22Å; A73-D77 PolarHBondContact O-N 3.22Å; D74-D77 PolarHBondContact O-N 3.41Å; D77-R80 PolarHBondContact O-N 3.04Å; D77-R80 IonicContact OD1-CZ 3.71Å; D77-R80 IonicContact OD1-NE 2.71Å; D77-R80 IonicContact OD1-NH2 3.09Å; D77-R80 PolarHBondContact OD1-NH2 3.06Å; D77-A81 PolarHBondContact O-N 2.92Å
78	Y	98.9	Very high	98.5	Very high	11 Å²	11	53.4 Å²	53.4	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-37	175.5	-84.6	-85.6	0	0	0	112.5	Y42 R43 W48 L51 P53 D74 V75 R80 A81 L82	Y42-Y78 HydrophobicContact CG-CD2 4.32Å; Y42-Y78 HydrophobicContact CG-CG 4.36Å; R43-Y78 WeakPolarHBondContact CA-OH 3.39Å; R43-Y78 HydrophobicContact CB-CE2 4.13Å; W48-Y78 HydrophobicContact CB-CE1 3.93Å; W48-Y78 HydrophobicContact CD2-CD1 4.28Å; W48-Y78 HydrophobicContact CD2-CE1 4.49Å; W48-Y78 AromaticContact CE3-CD1 3.43Å; W48-Y78 HydrophobicContact CE3-CD1 3.43Å; W48-Y78 VanDerWaalsContact CE3-CD1 3.43Å; W48-Y78 AromaticContact CE3-CE1 3.9Å; W48-Y78 HydrophobicContact CE3-CE1 3.9Å; W48-Y78 HydrophobicContact CE3-CG 4.32Å; W48-Y78 AromaticContact CZ3-CD1 3.99Å; W48-Y78 HydrophobicContact CZ3-CD1 3.99Å; L51-Y78 HydrophobicContact CB-CE1 4.31Å; L51-Y78 HydrophobicContact CD2-CD1 4.08Å; L51-Y78 HydrophobicContact CG-CD1 4.37Å; L51-Y78 HydrophobicContact CG-CE1 4.49Å; L51-Y78 WeakPolarHBondContact O-CE1 3.26Å; P53-Y78 HydrophobicContact CB-CD2 4.14Å; P53-Y78 HydrophobicContact CB-CE2 3.93Å; P53-Y78 HydrophobicContact CG-CE2 4.26Å; D74-Y78 WeakPolarHBondContact O-CD2 3.28Å; D74-Y78 PolarHBondContact O-N 3.18Å; V75-Y78 PolarHBondContact O-N 3.42Å; Y78-R80 PolarHBondContact O-N 3.45Å; Y78-A81 WeakPolarHBondContact O-CB 3.4Å; Y78-A81 PolarHBondContact O-N 3.17Å; Y78-L82 WeakPolarHBondContact O-CG 3.36Å; Y78-L82 PolarHBondContact O-N 3.09Å
79	F	98.9	Very high	98.6	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-47.8	170.9	175.4	-112.3	0	0	0	111.6	V75 Y76 A81 L82 L83 L95 T108 V109 Y112	V75-F79 WeakPolarHBondContact O-CB 3.49Å; V75-F79 PolarHBondContact O-N 3.44Å; Y76-F79 HydrophobicContact CD1-CD1 4.15Å; Y76-F79 HydrophobicContact CE1-CD1 4.38Å; F79-A81 VanDerWaalsContact C-N 3.3Å; F79-A81 PolarHBondContact O-N 3.45Å; F79-L82 PolarHBondContact O-N 3.31Å; F79-L83 HydrophobicContact CE1-CD2 4.12Å; F79-L83 HydrophobicContact CZ-CD2 4.1Å; F79-L83 WeakPolarHBondContact O-CB 3.26Å; F79-L83 PolarHBondContact O-N 3.41Å; F79-L95 HydrophobicContact CB-CD2 3.73Å; F79-L95 HydrophobicContact CD2-CD2 4.16Å; F79-L95 HydrophobicContact CG-CD2 4.44Å; F79-T108 HydrophobicContact CE1-CG2 4.31Å; F79-T108 HydrophobicContact CZ-CG2 4.12Å; F79-V109 HydrophobicContact CD1-CG2 4.06Å; F79-V109 HydrophobicContact CD2-CG2 4.18Å; F79-V109 HydrophobicContact CE1-CG2 3.65Å; F79-V109 HydrophobicContact CE2-CB 4.21Å; F79-V109 HydrophobicContact CE2-CG1 4.33Å; F79-V109 HydrophobicContact CE2-CG2 3.78Å; F79-V109 HydrophobicContact CG-CG2 4.32Å; F79-V109 HydrophobicContact CZ-CB 4.11Å; F79-V109 HydrophobicContact CZ-CG2 3.51Å; F79-Y112 HydrophobicContact CD2-CD1 4.44Å; F79-Y112 AromaticContact CE2-CD1 3.76Å; F79-Y112 HydrophobicContact CE2-CD1 3.76Å; F79-Y112 HydrophobicContact CE2-CE1 4.49Å; F79-Y112 HydrophobicContact CE2-CG 4.33Å
80	R	98.9	Very high	98.6	Very high	48 Å²	48	52.5 Å²	52.5	18%	0.181	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-40	176.4	-79.3	-179.6	-76.6	-91.3	0.9	112	V54 Q56 Y76 D77 Y78 K84	V54-R80 HydrophobicContact CB-CB 3.88Å; V54-R80 HydrophobicContact CG1-CB 4.1Å; V54-R80 WeakPolarHBondContact O-CB 3.41Å; V54-R80 WeakPolarHBondContact O-CD 3.41Å; V54-R80 PolarHBondContact O-NE 3.39Å; Q56-R80 VanDerWaalsContact OE1-NH1 3.1Å; Y76-R80 WeakPolarHBondContact O-CB 3.17Å; Y76-R80 WeakPolarHBondContact O-CG 3.24Å; Y76-R80 VanDerWaalsContact O-CZ 3.25Å; Y76-R80 PolarHBondContact O-N 3.25Å; Y76-R80 PolarHBondContact O-NE 2.88Å; D77-R80 PolarHBondContact O-N 3.04Å; D77-R80 IonicContact OD1-CZ 3.71Å; D77-R80 IonicContact OD1-NE 2.71Å; D77-R80 IonicContact OD1-NH2 3.09Å; D77-R80 PolarHBondContact OD1-NH2 3.06Å; Y78-R80 PolarHBondContact O-N 3.45Å; R80-K84 VanDerWaalsContact O-CB 3.24Å; R80-K84 WeakPolarHBondContact O-CB 3.34Å; R80-K84 PolarHBondContact O-N 2.97Å
81	A	98.8	Very high	98.6	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-46.9	177.6	0	0	0	0	0	112.3	L51 E52 V54 D77 Y78 F79 K85	L51-A81 HydrophobicContact CD1-CB 3.91Å; L51-A81 HydrophobicContact CD2-CB 3.97Å; L51-A81 HydrophobicContact CG-CB 3.84Å; E52-A81 VanDerWaalsContact O-CB 3.28Å; E52-A81 WeakPolarHBondContact O-CB 3.19Å; V54-A81 HydrophobicContact CB-CB 4.33Å; V54-A81 HydrophobicContact CG2-CB 3.83Å; D77-A81 PolarHBondContact O-N 2.92Å; Y78-A81 WeakPolarHBondContact O-CB 3.4Å; Y78-A81 PolarHBondContact O-N 3.17Å; F79-A81 VanDerWaalsContact C-N 3.3Å; F79-A81 PolarHBondContact O-N 3.45Å; A81-K85 PolarHBondContact O-N 3.02Å
82	L	98.6	Very high	98.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-47.8	176.1	-69.9	169.8	0	0	0	112	W48 L51 Y78 F79 K84 K85 D86 E87 A92 L95 Y112	W48-L82 HydrophobicContact CH2-CD1 3.81Å; W48-L82 HydrophobicContact CH2-CD2 4.39Å; W48-L82 HydrophobicContact CH2-CG 4.45Å; W48-L82 HydrophobicContact CZ3-CD1 3.85Å; W48-L82 HydrophobicContact CZ3-CD2 3.99Å; W48-L82 HydrophobicContact CZ3-CG 4.04Å; L51-L82 HydrophobicContact CD2-CD2 3.58Å; L51-L82 HydrophobicContact CD2-CG 3.81Å; Y78-L82 WeakPolarHBondContact O-CG 3.36Å; Y78-L82 PolarHBondContact O-N 3.09Å; F79-L82 PolarHBondContact O-N 3.31Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.86Å; L82-K85 CarbonylContact O-C 3.53Å; L82-K85 PolarHBondContact O-N 3.05Å; L82-K85 VanDerWaalsContact O-N 3.16Å; L82-D86 PolarHBondContact O-N 3.26Å; L82-E87 HydrophobicContact CD2-CB 3.84Å; L82-E87 HydrophobicContact CD2-CG 4.18Å; L82-E87 PolarHBondContact O-N 3.41Å; L82-E87 VanDerWaalsContact O-N 3.1Å; L82-A92 HydrophobicContact CD1-CB 3.8Å; L82-A92 HydrophobicContact CD2-CB 3.95Å; L82-A92 HydrophobicContact CG-CB 4.39Å; L82-L95 HydrophobicContact CD1-CB 4.21Å; L82-L95 HydrophobicContact CD1-CD1 3.92Å; L82-L95 HydrophobicContact CD1-CD2 4.08Å; L82-L95 HydrophobicContact CD1-CG 4.31Å; L82-Y112 HydrophobicContact CB-CE1 4.31Å; L82-Y112 PolarHBondContact O-OH 2.65Å
83	L	98.4	Very high	98.6	Very high	67 Å²	67	45.9 Å²	45.9	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-42.3	-178.5	-175.1	64.5	0	0	0	111.2	F79 K85 D86 T108 Y112	F79-L83 HydrophobicContact CE1-CD2 4.12Å; F79-L83 HydrophobicContact CZ-CD2 4.1Å; F79-L83 WeakPolarHBondContact O-CB 3.26Å; F79-L83 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact C-N 3.27Å; L83-K85 PolarHBondContact O-N 3.44Å; L83-D86 PolarHBondContact O-N 3.03Å; L83-D86 VanDerWaalsContact O-N 3.15Å; L83-T108 HydrophobicContact CD2-CG2 3.79Å; L83-Y112 HydrophobicContact CD1-CD2 3.79Å; L83-Y112 HydrophobicContact CD1-CE2 4.17Å; L83-Y112 HydrophobicContact CD1-CG 4.09Å
84	K	98.3	Very high	98.6	Very high	168 Å²	168	47 Å²	47	73%	0.73	22%	0.222	S	C	*	.	H	α-helix	trans	-63	-32.9	177.1	-176.4	175.9	179.5	-179.5	0	112.6	V54 R80 L82	V54-K84 HydrophobicContact CG2-CD 4.35Å; R80-K84 VanDerWaalsContact O-CB 3.24Å; R80-K84 WeakPolarHBondContact O-CB 3.34Å; R80-K84 PolarHBondContact O-N 2.97Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.86Å
85	K	98.3	Very high	98.6	Very high	126 Å²	126	46.8 Å²	46.8	55%	0.548	22%	0.221	S	C	.	.	H	α-helix	trans	-87.7	-6.5	176.6	-69.4	-172.7	-179.3	-179	0	113.8	L51 A81 L82 L83 E87	L51-K85 HydrophobicContact CD1-CD 3.68Å; L51-K85 VanDerWaalsContact CD1-NZ 3.26Å; A81-K85 PolarHBondContact O-N 3.02Å; L82-K85 CarbonylContact O-C 3.53Å; L82-K85 PolarHBondContact O-N 3.05Å; L82-K85 VanDerWaalsContact O-N 3.16Å; L83-K85 VanDerWaalsContact C-N 3.27Å; L83-K85 PolarHBondContact O-N 3.44Å; K85-E87 PolarHBondContact O-N 3.37Å
86	D	98.4	Very high	98.6	Very high	75 Å²	75	46.8 Å²	46.8	40%	0.401	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	44.7	-166.2	-168.5	30	0	0	0	112.3	L82 L83 R88	L82-D86 PolarHBondContact O-N 3.26Å; L83-D86 PolarHBondContact O-N 3.03Å; L83-D86 VanDerWaalsContact O-N 3.15Å; D86-R88 PolarHBondContact O-N 3.4Å; D86-R88 IonicContact OD1-NE 3.54Å; D86-R88 IonicContact OD1-NH2 3.86Å; D86-R88 IonicContact OD2-CZ 3.5Å; D86-R88 IonicContact OD2-NE 3.31Å; D86-R88 PolarHBondContact OD2-NE 2.95Å; D86-R88 IonicContact OD2-NH2 2.83Å; D86-R88 PolarHBondContact OD2-NH2 3.3Å
87	E	98.7	Very high	98.6	Very high	39 Å²	39	47.5 Å²	47.5	18%	0.182	23%	0.228	C	C	.	.			trans	-73.6	112.5	-174.5	-172.6	-172.6	122.2	0	0	111.6	L82 K85 S89 R91 A92 Y112	L82-E87 HydrophobicContact CD2-CB 3.84Å; L82-E87 HydrophobicContact CD2-CG 4.18Å; L82-E87 PolarHBondContact O-N 3.41Å; L82-E87 VanDerWaalsContact O-N 3.1Å; K85-E87 PolarHBondContact O-N 3.37Å; E87-S89 PolarHBondContact O-N 2.9Å; E87-S89 WeakPolarHBondContact OE1-CB 3.42Å; E87-S89 PolarHBondContact OE1-OG 3.41Å; E87-R91 IonicContact OE1-CZ 2.9Å; E87-R91 IonicContact OE1-NE 2.73Å; E87-R91 PolarHBondContact OE1-NE 3.24Å; E87-R91 IonicContact OE1-NH2 2.68Å; E87-R91 PolarHBondContact OE1-NH2 3.22Å; E87-R91 IonicContact OE2-CZ 3.9Å; E87-R91 IonicContact OE2-NE 3.63Å; E87-R91 IonicContact OE2-NH2 3.28Å; E87-R91 PolarHBondContact OE2-NH2 2.87Å; E87-A92 WeakPolarHBondContact O-CB 3.31Å; E87-Y112 PolarHBondContact N-OH 3.26Å; E87-Y112 PolarHBondContact O-OH 2.94Å
88	R	98.6	Very high	98.6	Very high	134 Å²	134	47.8 Å²	47.8	51%	0.506	23%	0.23	S	C	.	.			trans	-98.8	82.9	179.7	-55.8	-176.4	-168.7	-176.9	3.7	110.9	D86 L116 A119	D86-R88 PolarHBondContact O-N 3.4Å; D86-R88 IonicContact OD1-NE 3.54Å; D86-R88 IonicContact OD1-NH2 3.86Å; D86-R88 IonicContact OD2-CZ 3.5Å; D86-R88 IonicContact OD2-NE 3.31Å; D86-R88 PolarHBondContact OD2-NE 2.95Å; D86-R88 IonicContact OD2-NH2 2.83Å; D86-R88 PolarHBondContact OD2-NH2 3.3Å; R88-L116 HydrophobicContact CB-CD2 4.04Å; R88-L116 HydrophobicContact CG-CD2 4.15Å; R88-A119 HydrophobicContact CB-CB 4.21Å; R88-A119 HydrophobicContact CG-CB 4.34Å
89	S	98.8	Very high	98.6	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	23%	0.228	C	C	.	.	S	Bend	trans	-133.2	160.9	-174.7	70.7	0	0	0	0	112.6	E87 R91 A92 F93 L120	E87-S89 PolarHBondContact O-N 2.9Å; E87-S89 WeakPolarHBondContact OE1-CB 3.42Å; E87-S89 PolarHBondContact OE1-OG 3.41Å; S89-R91 VanDerWaalsContact C-N 3.26Å; S89-R91 PolarHBondContact O-N 3.12Å; S89-R91 WeakPolarHBondContact OG-CG 3.48Å; S89-A92 WeakPolarHBondContact O-CB 3.5Å; S89-A92 PolarHBondContact O-N 3.43Å; S89-A92 VanDerWaalsContact O-N 3.15Å; S89-A92 WeakPolarHBondContact OG-CB 3.5Å; S89-A92 PolarHBondContact OG-N 3.5Å; S89-A92 VanDerWaalsContact OG-N 3.15Å; S89-F93 PolarHBondContact O-N 2.88Å; S89-L120 WeakPolarHBondContact O-CD1 3.25Å
90	E	98.6	Very high	98.6	Very high	102 Å²	102	46.9 Å²	46.9	48%	0.477	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-36	175.1	-71.7	-66.6	173.3	0	0	112.2	F93 A94 K122	E90-F93 PolarHBondContact O-N 3.43Å; E90-A94 PolarHBondContact O-N 2.92Å; E90-K122 IonicContact OE1-NZ 2.87Å; E90-K122 PolarHBondContact OE1-NZ 3.1Å; E90-K122 IonicContact OE2-NZ 3.7Å; E90-K122 PolarHBondContact OE2-NZ 2.82Å
91	R	98.3	Very high	98.6	Very high	55 Å²	55	49 Å²	49	21%	0.208	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-35.9	175.7	70.4	169.7	-177.9	-169.6	0.1	112.2	E47 W48 D50 E87 S89 F93 A94 L95	E47-R91 PolarHBondContact O-NH1 3.2Å; W48-R91 HydrophobicContact CH2-CB 4.14Å; W48-R91 HydrophobicContact CH2-CG 4.04Å; W48-R91 WeakPolarHBondContact CH2-O 3.35Å; W48-R91 HydrophobicContact CZ2-CB 3.63Å; W48-R91 HydrophobicContact CZ2-CG 3.98Å; W48-R91 WeakPolarHBondContact CZ2-O 3.49Å; D50-R91 VanDerWaalsContact CG-NH1 3.32Å; D50-R91 IonicContact OD1-CZ 3.44Å; D50-R91 IonicContact OD1-NH1 3.28Å; D50-R91 PolarHBondContact OD1-NH1 3.43Å; D50-R91 IonicContact OD1-NH2 2.82Å; D50-R91 IonicContact OD2-CZ 3.8Å; D50-R91 IonicContact OD2-NH1 3.71Å; D50-R91 PolarHBondContact OD2-NH1 3Å; D50-R91 VanDerWaalsContact OD2-NH1 3.16Å; D50-R91 IonicContact OD2-NH2 2.7Å; D50-R91 PolarHBondContact OD2-NH2 2.88Å; E87-R91 IonicContact OE1-CZ 2.9Å; E87-R91 IonicContact OE1-NE 2.73Å; E87-R91 PolarHBondContact OE1-NE 3.24Å; E87-R91 IonicContact OE1-NH2 2.68Å; E87-R91 PolarHBondContact OE1-NH2 3.22Å; E87-R91 IonicContact OE2-CZ 3.9Å; E87-R91 IonicContact OE2-NE 3.63Å; E87-R91 IonicContact OE2-NH2 3.28Å; E87-R91 PolarHBondContact OE2-NH2 2.87Å; S89-R91 VanDerWaalsContact C-N 3.26Å; S89-R91 PolarHBondContact O-N 3.12Å; S89-R91 WeakPolarHBondContact OG-CG 3.48Å; R91-F93 VanDerWaalsContact C-N 3.35Å; R91-A94 PolarHBondContact O-N 3.43Å; R91-L95 WeakPolarHBondContact O-CB 3.32Å; R91-L95 PolarHBondContact O-N 3.24Å
92	A	98.8	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-43.5	174.4	0	0	0	0	0	110.7	L82 E87 S89 L95 T96 Y112 L116	L82-A92 HydrophobicContact CD1-CB 3.8Å; L82-A92 HydrophobicContact CD2-CB 3.95Å; L82-A92 HydrophobicContact CG-CB 4.39Å; E87-A92 WeakPolarHBondContact O-CB 3.31Å; S89-A92 WeakPolarHBondContact O-CB 3.5Å; S89-A92 PolarHBondContact O-N 3.43Å; S89-A92 VanDerWaalsContact O-N 3.15Å; S89-A92 WeakPolarHBondContact OG-CB 3.5Å; S89-A92 PolarHBondContact OG-N 3.5Å; S89-A92 VanDerWaalsContact OG-N 3.15Å; A92-L95 PolarHBondContact O-N 3.01Å; A92-T96 WeakPolarHBondContact O-CG2 3.38Å; A92-T96 PolarHBondContact O-N 2.98Å; A92-T96 VanDerWaalsContact O-N 3.13Å; A92-Y112 HydrophobicContact CB-CE1 4.42Å; A92-L116 HydrophobicContact CB-CD1 4Å; A92-L116 HydrophobicContact CB-CD2 4.36Å
93	F	98.8	Very high	98.5	Very high	26 Å²	26	54 Å²	54	11%	0.114	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-46	177.1	-178.1	-107.6	0	0	0	111.7	S89 E90 R91 L95 T96 R113 L116 L117 L120 K122	S89-F93 PolarHBondContact O-N 2.88Å; E90-F93 PolarHBondContact O-N 3.43Å; R91-F93 VanDerWaalsContact C-N 3.35Å; F93-L95 PolarHBondContact O-N 3.37Å; F93-T96 PolarHBondContact O-N 3.09Å; F93-T96 PolarHBondContact O-OG1 3.05Å; F93-R113 HydrophobicContact CD2-CG 4.25Å; F93-R113 HydrophobicContact CE2-CG 3.85Å; F93-R113 VanDerWaalsContact CE2-CZ 3.48Å; F93-R113 VanDerWaalsContact CZ-CZ 3.47Å; F93-R113 PolarHBondContact O-NH1 3.27Å; F93-L116 HydrophobicContact CB-CB 4.41Å; F93-L116 HydrophobicContact CB-CD1 4.19Å; F93-L116 HydrophobicContact CD2-CB 3.95Å; F93-L117 HydrophobicContact CE2-CD2 3.46Å; F93-L117 VanDerWaalsContact CE2-CD2 3.46Å; F93-L117 HydrophobicContact CE2-CG 3.82Å; F93-L117 HydrophobicContact CZ-CD2 3.61Å; F93-L117 HydrophobicContact CZ-CG 4.45Å; F93-L120 HydrophobicContact CB-CD1 3.92Å; F93-K122 HydrophobicContact CD1-CD 4.41Å; F93-K122 HydrophobicContact CE1-CD 4.45Å; F93-K122 HydrophobicContact CE1-CG 4.36Å; F93-K122 HydrophobicContact CE2-CG 4.36Å; F93-K122 HydrophobicContact CZ-CG 4.23Å
94	A	98.5	Very high	98.5	Very high	55 Å²	55	50.9 Å²	50.9	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-43.2	174.7	0	0	0	0	0	112.3	E90 R91 T96 A97	E90-A94 PolarHBondContact O-N 2.92Å; R91-A94 PolarHBondContact O-N 3.43Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.29Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.93Å; A94-A97 VanDerWaalsContact O-N 3.1Å
95	L	98.8	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-33.4	177.8	-176.3	151.9	0	0	0	113.1	Y42 W48 V75 F79 L82 R91 A92 F93 A97 D98 A99	Y42-L95 HydrophobicContact CD1-CD1 3.88Å; Y42-L95 HydrophobicContact CE1-CB 4.12Å; Y42-L95 HydrophobicContact CE1-CD1 3.58Å; Y42-L95 HydrophobicContact CE1-CG 4.03Å; Y42-L95 HydrophobicContact CE2-CD1 4.39Å; Y42-L95 HydrophobicContact CE2-CG 4.49Å; Y42-L95 HydrophobicContact CG-CD1 4.4Å; Y42-L95 WeakPolarHBondContact OH-CA 3.32Å; W48-L95 HydrophobicContact CH2-CB 3.78Å; W48-L95 HydrophobicContact CH2-CD1 3.42Å; W48-L95 VanDerWaalsContact CH2-CD1 3.42Å; W48-L95 HydrophobicContact CH2-CG 4.23Å; W48-L95 HydrophobicContact CZ2-CB 4.15Å; W48-L95 HydrophobicContact CZ2-CD1 4.12Å; W48-L95 HydrophobicContact CZ3-CD1 3.69Å; V75-L95 HydrophobicContact CG1-CD2 4.45Å; F79-L95 HydrophobicContact CB-CD2 3.73Å; F79-L95 HydrophobicContact CD2-CD2 4.16Å; F79-L95 HydrophobicContact CG-CD2 4.44Å; L82-L95 HydrophobicContact CD1-CB 4.21Å; L82-L95 HydrophobicContact CD1-CD1 3.92Å; L82-L95 HydrophobicContact CD1-CD2 4.08Å; L82-L95 HydrophobicContact CD1-CG 4.31Å; R91-L95 WeakPolarHBondContact O-CB 3.32Å; R91-L95 PolarHBondContact O-N 3.24Å; A92-L95 PolarHBondContact O-N 3.01Å; F93-L95 PolarHBondContact O-N 3.37Å; L95-A97 PolarHBondContact O-N 3.47Å; L95-D98 PolarHBondContact O-N 2.88Å; L95-A99 HydrophobicContact CD2-CB 4.47Å; L95-A99 PolarHBondContact O-N 3.2Å
96	T	98.9	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-27.8	176.6	64.6	0	0	0	0	113.2	A92 F93 A94 I100 V109 Y112 R113 L116	A92-T96 WeakPolarHBondContact O-CG2 3.38Å; A92-T96 PolarHBondContact O-N 2.98Å; A92-T96 VanDerWaalsContact O-N 3.13Å; F93-T96 PolarHBondContact O-N 3.09Å; F93-T96 PolarHBondContact O-OG1 3.05Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.29Å; T96-I100 WeakPolarHBondContact O-CB 3.36Å; T96-I100 VanDerWaalsContact O-CD1 3.31Å; T96-I100 WeakPolarHBondContact O-CD1 3.31Å; T96-I100 WeakPolarHBondContact O-CG1 3.41Å; T96-I100 PolarHBondContact O-N 2.96Å; T96-V109 HydrophobicContact CG2-CG1 4.21Å; T96-Y112 HydrophobicContact CG2-CD1 3.93Å; T96-R113 HydrophobicContact CG2-CB 4.2Å; T96-R113 PolarHBondContact OG1-NH1 2.98Å; T96-L116 HydrophobicContact CG2-CD1 4Å
97	A	98.6	Very high	98.6	Very high	22 Å²	22	45.4 Å²	45.4	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-52.4	174.5	0	0	0	0	0	110.7	A94 L95 A99 I100 D101 Y130	A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.93Å; A94-A97 VanDerWaalsContact O-N 3.1Å; L95-A97 PolarHBondContact O-N 3.47Å; A97-A99 PolarHBondContact O-N 3.1Å; A97-I100 PolarHBondContact O-N 3.19Å; A97-D101 PolarHBondContact O-N 3.23Å; A97-Y130 HydrophobicContact CB-CE2 4.35Å
98	D	98.4	Very high	98.6	Very high	40 Å²	40	45.9 Å²	45.9	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-39.1	175.7	-76.1	16.1	0	0	0	111.9	Y42 R45 V75 L95 L102	Y42-D98 HydrophobicContact CE2-CB 4.37Å; Y42-D98 WeakPolarHBondContact CE2-OD2 3.5Å; Y42-D98 PolarHBondContact OH-OD2 3.25Å; R45-D98 IonicContact NH2-OD2 2.81Å; V75-D98 HydrophobicContact CG1-CB 4.18Å; V75-D98 HydrophobicContact CG2-CB 4.34Å; L95-D98 PolarHBondContact O-N 2.88Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.39Å
99	A	98.8	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-35.4	178.4	0	0	0	0	0	113	V75 Y76 L95 A97 N103 V109	V75-A99 HydrophobicContact CG1-CB 3.84Å; Y76-A99 PolarHBondContact OH-O 3.27Å; L95-A99 HydrophobicContact CD2-CB 4.47Å; L95-A99 PolarHBondContact O-N 3.2Å; A97-A99 PolarHBondContact O-N 3.1Å; A99-N103 PolarHBondContact O-N 3.37Å; A99-N103 VanDerWaalsContact O-N 3.13Å; A99-V109 HydrophobicContact CB-CG1 3.87Å; A99-V109 HydrophobicContact CB-CG2 4.07Å
100	I	98.8	Very high	98.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-43.3	174.3	-75	161.6	0	0	0	110.3	T96 A97 L102 N103 A104 V109 W110 Y130 I134	T96-I100 WeakPolarHBondContact O-CB 3.36Å; T96-I100 VanDerWaalsContact O-CD1 3.31Å; T96-I100 WeakPolarHBondContact O-CD1 3.31Å; T96-I100 WeakPolarHBondContact O-CG1 3.41Å; T96-I100 PolarHBondContact O-N 2.96Å; A97-I100 PolarHBondContact O-N 3.19Å; I100-L102 PolarHBondContact O-N 3Å; I100-N103 CarbonylContact O-C 3.46Å; I100-N103 PolarHBondContact O-N 3.38Å; I100-N103 VanDerWaalsContact O-N 3.09Å; I100-A104 HydrophobicContact CG2-CB 4.02Å; I100-A104 VanDerWaalsContact O-CA 3.3Å; I100-A104 WeakPolarHBondContact O-CA 3.22Å; I100-A104 PolarHBondContact O-N 2.98Å; I100-V109 HydrophobicContact CD1-CG1 4.2Å; I100-V109 HydrophobicContact CG1-CG1 3.75Å; I100-W110 HydrophobicContact CB-CZ2 4.34Å; I100-W110 HydrophobicContact CD1-CD2 3.82Å; I100-W110 HydrophobicContact CD1-CE3 3.74Å; I100-W110 HydrophobicContact CD1-CH2 3.73Å; I100-W110 HydrophobicContact CD1-CZ2 3.8Å; I100-W110 HydrophobicContact CD1-CZ3 3.7Å; I100-W110 HydrophobicContact CG1-CD2 4.21Å; I100-W110 HydrophobicContact CG1-CH2 4.37Å; I100-W110 HydrophobicContact CG1-CZ2 3.95Å; I100-W110 HydrophobicContact CG2-CH2 3.92Å; I100-W110 HydrophobicContact CG2-CZ2 3.41Å; I100-W110 VanDerWaalsContact CG2-CZ2 3.41Å; I100-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I100-Y130 WeakPolarHBondContact CG2-OH 3.37Å; I100-I134 HydrophobicContact CG2-CG2 4.41Å
101	D	97.9	Very high	98.6	Very high	91 Å²	91	38.7 Å²	38.7	49%	0.487	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-36.6	177.7	-68.6	-9.2	0	0	0	111.6	A97	A97-D101 PolarHBondContact O-N 3.23Å
102	L	98.1	Very high	98.6	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-74.8	-31.4	176.4	-73.2	170	0	0	0	113.6	K71 F72 V75 Y76 D98 I100	K71-L102 HydrophobicContact CD-CD2 4.36Å; K71-L102 HydrophobicContact CG-CD2 4.38Å; F72-L102 HydrophobicContact CD2-CB 3.91Å; F72-L102 HydrophobicContact CD2-CD1 4.43Å; F72-L102 HydrophobicContact CD2-CD2 4.32Å; F72-L102 HydrophobicContact CD2-CG 4.47Å; F72-L102 HydrophobicContact CE2-CB 4.16Å; V75-L102 HydrophobicContact CB-CD1 3.56Å; V75-L102 HydrophobicContact CG1-CD1 3.87Å; V75-L102 HydrophobicContact CG2-CD1 3.59Å; Y76-L102 HydrophobicContact CE2-CB 4.12Å; Y76-L102 HydrophobicContact CE2-CD1 4.44Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.39Å; I100-L102 PolarHBondContact O-N 3Å
103	N	98.6	Very high	98.7	Very high	61 Å²	61	36.7 Å²	36.7	33%	0.326	20%	0.198	S	C	.	.			trans	-162.8	90.9	176.1	176.8	12.5	0	0	0	111.5	F72 A99 I100 A105 N106	F72-N103 HydrophobicContact CE2-CB 4.14Å; A99-N103 PolarHBondContact O-N 3.37Å; A99-N103 VanDerWaalsContact O-N 3.13Å; I100-N103 CarbonylContact O-C 3.46Å; I100-N103 PolarHBondContact O-N 3.38Å; I100-N103 VanDerWaalsContact O-N 3.09Å; N103-A105 PolarHBondContact O-N 3.17Å; N103-A105 VanDerWaalsContact O-N 3.11Å; N103-A105 WeakPolarHBondContact OD1-CB 3.18Å; N103-A105 PolarHBondContact OD1-N 3.41Å; N103-N106 WeakPolarHBondContact O-CB 3.45Å; N103-N106 PolarHBondContact O-N 3.24Å; N103-N106 VanDerWaalsContact O-N 3.11Å
104	A	98.4	Very high	98.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.2	-179.5	0	0	0	0	0	112.9	I100 N106 W110 Q138 N141	I100-A104 HydrophobicContact CG2-CB 4.02Å; I100-A104 VanDerWaalsContact O-CA 3.3Å; I100-A104 WeakPolarHBondContact O-CA 3.22Å; I100-A104 PolarHBondContact O-N 2.98Å; A104-N106 VanDerWaalsContact C-N 3.27Å; A104-W110 PolarHBondContact O-NE1 3.26Å; A104-Q138 VanDerWaalsContact CB-OE1 3.25Å; A104-N141 PolarHBondContact O-ND2 3.02Å
105	A	98.5	Very high	98.7	Very high	49 Å²	49	36.1 Å²	36.1	41%	0.405	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.1	174.5	0	0	0	0	0	113	N103 Y107 N141	N103-A105 PolarHBondContact O-N 3.17Å; N103-A105 VanDerWaalsContact O-N 3.11Å; N103-A105 WeakPolarHBondContact OD1-CB 3.18Å; N103-A105 PolarHBondContact OD1-N 3.41Å; A105-Y107 PolarHBondContact O-N 2.98Å; A105-N141 WeakPolarHBondContact CA-ND2 3.49Å; A105-N141 PolarHBondContact N-ND2 3.24Å
106	N	98.8	Very high	98.7	Very high	37 Å²	37	36.1 Å²	36.1	20%	0.198	19%	0.187	C	C	.	.			trans	-73.5	93.2	178.5	-166.1	-43.8	0	0	0	111.7	Y76 N103 A104 T108 V109 W110	Y76-N106 VanDerWaalsContact CE1-ND2 3.34Å; Y76-N106 WeakPolarHBondContact CE1-ND2 3.41Å; N103-N106 WeakPolarHBondContact O-CB 3.45Å; N103-N106 PolarHBondContact O-N 3.24Å; N103-N106 VanDerWaalsContact O-N 3.11Å; A104-N106 VanDerWaalsContact C-N 3.27Å; N106-T108 PolarHBondContact O-N 3.32Å; N106-T108 WeakPolarHBondContact OD1-CB 3.45Å; N106-T108 PolarHBondContact OD1-N 3.13Å; N106-T108 VanDerWaalsContact OD1-N 3.09Å; N106-V109 HydrophobicContact CB-CB 4.36Å; N106-V109 HydrophobicContact CB-CG2 3.96Å; N106-V109 PolarHBondContact O-N 3.36Å; N106-V109 PolarHBondContact OD1-N 3.08Å; N106-W110 VanDerWaalsContact O-CD1 3.26Å; N106-W110 PolarHBondContact O-N 2.97Å
107	Y	98.7	Very high	98.7	Very high	168 Å²	168	36.3 Å²	36.3	66%	0.659	19%	0.188	S	C	*	.	H	α-helix	trans	-64.3	-23.5	-178.7	62.2	-95.8	0	0	0	113.9	A105 W110 H111	A105-Y107 PolarHBondContact O-N 2.98Å; Y107-W110 PolarHBondContact O-N 3.27Å; Y107-H111 WeakPolarHBondContact O-CB 3.29Å; Y107-H111 PolarHBondContact O-N 3.4Å
108	T	98.8	Very high	98.7	Very high	50 Å²	50	41 Å²	41	31%	0.307	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-40.6	176.2	-55.3	0	0	0	0	110.9	F79 L83 N106 H111 Y112	F79-T108 HydrophobicContact CE1-CG2 4.31Å; F79-T108 HydrophobicContact CZ-CG2 4.12Å; L83-T108 HydrophobicContact CD2-CG2 3.79Å; N106-T108 PolarHBondContact O-N 3.32Å; N106-T108 WeakPolarHBondContact OD1-CB 3.45Å; N106-T108 PolarHBondContact OD1-N 3.13Å; N106-T108 VanDerWaalsContact OD1-N 3.09Å; T108-H111 PolarHBondContact O-N 2.93Å; T108-Y112 WeakPolarHBondContact O-CB 3.18Å; T108-Y112 PolarHBondContact O-N 3.07Å
109	V	98.9	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-46.3	174.2	179.9	0	0	0	0	110.2	Y76 F79 T96 A99 I100 N106 H111 Y112 R113	Y76-V109 HydrophobicContact CE1-CG2 4.08Å; F79-V109 HydrophobicContact CD1-CG2 4.06Å; F79-V109 HydrophobicContact CD2-CG2 4.18Å; F79-V109 HydrophobicContact CE1-CG2 3.65Å; F79-V109 HydrophobicContact CE2-CB 4.21Å; F79-V109 HydrophobicContact CE2-CG1 4.33Å; F79-V109 HydrophobicContact CE2-CG2 3.78Å; F79-V109 HydrophobicContact CG-CG2 4.32Å; F79-V109 HydrophobicContact CZ-CB 4.11Å; F79-V109 HydrophobicContact CZ-CG2 3.51Å; T96-V109 HydrophobicContact CG2-CG1 4.21Å; A99-V109 HydrophobicContact CB-CG1 3.87Å; A99-V109 HydrophobicContact CB-CG2 4.07Å; I100-V109 HydrophobicContact CD1-CG1 4.2Å; I100-V109 HydrophobicContact CG1-CG1 3.75Å; N106-V109 HydrophobicContact CB-CB 4.36Å; N106-V109 HydrophobicContact CB-CG2 3.96Å; N106-V109 PolarHBondContact O-N 3.36Å; N106-V109 PolarHBondContact OD1-N 3.08Å; V109-H111 PolarHBondContact O-N 3.14Å; V109-Y112 PolarHBondContact O-N 2.92Å; V109-R113 WeakPolarHBondContact O-CB 3.44Å; V109-R113 PolarHBondContact O-N 2.93Å
110	W	98.9	Very high	98.7	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-41.8	177.2	-75.7	108.3	0	0	0	113.4	I100 A104 N106 Y107 R113 R114 Y130 I131 I134 Q143 V144 H147	I100-W110 HydrophobicContact CB-CZ2 4.34Å; I100-W110 HydrophobicContact CD1-CD2 3.82Å; I100-W110 HydrophobicContact CD1-CE3 3.74Å; I100-W110 HydrophobicContact CD1-CH2 3.73Å; I100-W110 HydrophobicContact CD1-CZ2 3.8Å; I100-W110 HydrophobicContact CD1-CZ3 3.7Å; I100-W110 HydrophobicContact CG1-CD2 4.21Å; I100-W110 HydrophobicContact CG1-CH2 4.37Å; I100-W110 HydrophobicContact CG1-CZ2 3.95Å; I100-W110 HydrophobicContact CG2-CH2 3.92Å; I100-W110 HydrophobicContact CG2-CZ2 3.41Å; I100-W110 VanDerWaalsContact CG2-CZ2 3.41Å; A104-W110 PolarHBondContact O-NE1 3.26Å; N106-W110 VanDerWaalsContact O-CD1 3.26Å; N106-W110 PolarHBondContact O-N 2.97Å; Y107-W110 PolarHBondContact O-N 3.27Å; W110-R113 PolarHBondContact O-N 3.05Å; W110-R114 PolarHBondContact O-N 3.06Å; W110-R114 PolarHBondContact O-NH1 3.4Å; W110-Y130 AromaticContact CH2-CE1 3.98Å; W110-Y130 HydrophobicContact CH2-CE1 3.98Å; W110-Y130 HydrophobicContact CZ3-CE1 4.09Å; W110-I131 HydrophobicContact CH2-CD1 3.5Å; W110-I131 HydrophobicContact CZ2-CD1 4.41Å; W110-I131 HydrophobicContact CZ3-CD1 3.85Å; W110-I134 HydrophobicContact CH2-CG2 4.38Å; W110-I134 HydrophobicContact CZ2-CG2 4.31Å; W110-Q143 HydrophobicContact CD2-CB 4.46Å; W110-Q143 HydrophobicContact CG-CB 3.95Å; W110-V144 HydrophobicContact CH2-CG1 4.25Å; W110-V144 HydrophobicContact CZ2-CG1 3.65Å; W110-H147 HydrophobicContact CE3-CB 3.85Å; W110-H147 AromaticContact CE3-CD2 3.94Å; W110-H147 AromaticContact CE3-CE1 3.95Å; W110-H147 AromaticContact CE3-CG 3.52Å; W110-H147 AromaticContact CE3-ND1 3.56Å; W110-H147 HydrophobicContact CZ3-CB 3.97Å; W110-H147 AromaticContact CZ3-CD2 3.48Å; W110-H147 VanDerWaalsContact CZ3-CD2 3.48Å; W110-H147 WeakPolarHBondContact CZ3-CD2 3.4Å; W110-H147 AromaticContact CZ3-CG 3.53Å; W110-H147 AromaticContact CZ3-ND1 3.94Å; W110-H147 AromaticContact CZ3-NE2 3.81Å
111	H	98.9	Very high	98.6	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-48.3	174.6	173.4	-102.9	0	0	0	111.1	Y107 T108 V109 R113 R114 V115	Y107-H111 WeakPolarHBondContact O-CB 3.29Å; Y107-H111 PolarHBondContact O-N 3.4Å; T108-H111 PolarHBondContact O-N 2.93Å; V109-H111 PolarHBondContact O-N 3.14Å; H111-R113 PolarHBondContact O-N 3.34Å; H111-R114 WeakPolarHBondContact O-CB 3.49Å; H111-R114 PolarHBondContact O-N 2.9Å; H111-V115 PolarHBondContact O-N 2.86Å
112	Y	98.9	Very high	98.7	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-41.8	178.4	-172.4	-123.1	0	0	0	112.1	F79 L82 L83 E87 A92 T96 T108 V109 R114 V115 L116	F79-Y112 HydrophobicContact CD2-CD1 4.44Å; F79-Y112 AromaticContact CE2-CD1 3.76Å; F79-Y112 HydrophobicContact CE2-CD1 3.76Å; F79-Y112 HydrophobicContact CE2-CE1 4.49Å; F79-Y112 HydrophobicContact CE2-CG 4.33Å; L82-Y112 HydrophobicContact CB-CE1 4.31Å; L82-Y112 PolarHBondContact O-OH 2.65Å; L83-Y112 HydrophobicContact CD1-CD2 3.79Å; L83-Y112 HydrophobicContact CD1-CE2 4.17Å; L83-Y112 HydrophobicContact CD1-CG 4.09Å; E87-Y112 PolarHBondContact N-OH 3.26Å; E87-Y112 PolarHBondContact O-OH 2.94Å; A92-Y112 HydrophobicContact CB-CE1 4.42Å; T96-Y112 HydrophobicContact CG2-CD1 3.93Å; T108-Y112 WeakPolarHBondContact O-CB 3.18Å; T108-Y112 PolarHBondContact O-N 3.07Å; V109-Y112 PolarHBondContact O-N 2.92Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 2.84Å; Y112-V115 WeakPolarHBondContact O-CB 3.3Å; Y112-V115 PolarHBondContact O-N 3.09Å; Y112-V115 VanDerWaalsContact O-N 3.1Å; Y112-L116 HydrophobicContact CD1-CD1 3.85Å; Y112-L116 HydrophobicContact CD1-CG 4.43Å; Y112-L116 HydrophobicContact CE1-CD1 3.73Å; Y112-L116 HydrophobicContact CE1-CG 4.34Å; Y112-L116 HydrophobicContact CE2-CD2 4.47Å; Y112-L116 HydrophobicContact CG-CD1 4.48Å; Y112-L116 WeakPolarHBondContact O-CG 3.4Å; Y112-L116 PolarHBondContact O-N 3.49Å
113	R	98.9	Very high	98.7	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.038	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-43.2	173.3	-174.6	176.6	-179.4	84.3	-3	111.8	F93 T96 V109 W110 H111 L116 L117 E127	F93-R113 HydrophobicContact CD2-CG 4.25Å; F93-R113 HydrophobicContact CE2-CG 3.85Å; F93-R113 VanDerWaalsContact CE2-CZ 3.48Å; F93-R113 VanDerWaalsContact CZ-CZ 3.47Å; F93-R113 PolarHBondContact O-NH1 3.27Å; T96-R113 HydrophobicContact CG2-CB 4.2Å; T96-R113 PolarHBondContact OG1-NH1 2.98Å; V109-R113 WeakPolarHBondContact O-CB 3.44Å; V109-R113 PolarHBondContact O-N 2.93Å; W110-R113 PolarHBondContact O-N 3.05Å; H111-R113 PolarHBondContact O-N 3.34Å; R113-L116 WeakPolarHBondContact O-CB 3.48Å; R113-L116 PolarHBondContact O-N 2.86Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3.02Å; R113-E127 IonicContact CZ-OE1 2.61Å; R113-E127 IonicContact CZ-OE2 3.59Å; R113-E127 IonicContact NE-OE1 3.43Å; R113-E127 PolarHBondContact NE-OE1 2.8Å; R113-E127 IonicContact NE-OE2 2.91Å; R113-E127 PolarHBondContact NE-OE2 3.47Å; R113-E127 IonicContact NH2-OE1 3.55Å; R113-E127 PolarHBondContact NH2-OE1 2.92Å; R113-E127 IonicContact NH2-OE2 3.81Å; R113-E127 PolarHBondContact NH2-OE2 3.35Å
114	R	98.8	Very high	98.7	Very high	34 Å²	34	47.3 Å²	47.3	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-39.8	175.1	-78.3	-166.8	-60.9	-81.2	2.4	113.2	W110 H111 Y112 L116 L117 Q118 H147 W154	W110-R114 PolarHBondContact O-N 3.06Å; W110-R114 PolarHBondContact O-NH1 3.4Å; H111-R114 WeakPolarHBondContact O-CB 3.49Å; H111-R114 PolarHBondContact O-N 2.9Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 2.84Å; R114-L116 VanDerWaalsContact C-N 3.32Å; R114-L116 PolarHBondContact O-N 3.24Å; R114-L117 PolarHBondContact O-N 3.24Å; R114-Q118 PolarHBondContact O-N 3.37Å; R114-H147 WeakPolarHBondContact CG-ND1 3.4Å; R114-H147 PolarHBondContact NH1-ND1 2.9Å; R114-W154 HydrophobicContact CB-CH2 3.78Å; R114-W154 HydrophobicContact CG-CH2 3.74Å; R114-W154 HydrophobicContact CG-CZ3 4.37Å
115	V	98.8	Very high	98.7	Very high	35 Å²	35	53.9 Å²	53.9	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-43.5	172.1	173.2	0	0	0	0	110.7	H111 Y112 Q118 A119	H111-V115 PolarHBondContact O-N 2.86Å; Y112-V115 WeakPolarHBondContact O-CB 3.3Å; Y112-V115 PolarHBondContact O-N 3.09Å; Y112-V115 VanDerWaalsContact O-N 3.1Å; V115-Q118 PolarHBondContact O-N 2.91Å; V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.95Å
116	L	98.9	Very high	98.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-40.4	179.1	-65.1	174.8	0	0	0	112.8	R88 A92 F93 T96 Y112 R113 R114 Q118 A119 L120	R88-L116 HydrophobicContact CB-CD2 4.04Å; R88-L116 HydrophobicContact CG-CD2 4.15Å; A92-L116 HydrophobicContact CB-CD1 4Å; A92-L116 HydrophobicContact CB-CD2 4.36Å; F93-L116 HydrophobicContact CB-CB 4.41Å; F93-L116 HydrophobicContact CB-CD1 4.19Å; F93-L116 HydrophobicContact CD2-CB 3.95Å; T96-L116 HydrophobicContact CG2-CD1 4Å; Y112-L116 HydrophobicContact CD1-CD1 3.85Å; Y112-L116 HydrophobicContact CD1-CG 4.43Å; Y112-L116 HydrophobicContact CE1-CD1 3.73Å; Y112-L116 HydrophobicContact CE1-CG 4.34Å; Y112-L116 HydrophobicContact CE2-CD2 4.47Å; Y112-L116 HydrophobicContact CG-CD1 4.48Å; Y112-L116 WeakPolarHBondContact O-CG 3.4Å; Y112-L116 PolarHBondContact O-N 3.49Å; R113-L116 WeakPolarHBondContact O-CB 3.48Å; R113-L116 PolarHBondContact O-N 2.86Å; R114-L116 VanDerWaalsContact C-N 3.32Å; R114-L116 PolarHBondContact O-N 3.24Å; L116-Q118 VanDerWaalsContact C-N 3.26Å; L116-Q118 PolarHBondContact O-N 3.41Å; L116-A119 PolarHBondContact O-N 3.27Å; L116-L120 HydrophobicContact CB-CD1 4.41Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 2.96Å
117	L	98.9	Very high	98.7	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-52.9	-46.4	175	-76.4	170.1	0	0	0	111.3	F93 R113 R114 S121 K122 E127 W154	F93-L117 HydrophobicContact CE2-CD2 3.46Å; F93-L117 VanDerWaalsContact CE2-CD2 3.46Å; F93-L117 HydrophobicContact CE2-CG 3.82Å; F93-L117 HydrophobicContact CZ-CD2 3.61Å; F93-L117 HydrophobicContact CZ-CG 4.45Å; R113-L117 WeakPolarHBondContact O-CG 3.44Å; R113-L117 PolarHBondContact O-N 3.02Å; R114-L117 PolarHBondContact O-N 3.24Å; L117-S121 PolarHBondContact O-N 3.12Å; L117-K122 HydrophobicContact CD2-CB 3.68Å; L117-K122 HydrophobicContact CD2-CG 4.01Å; L117-K122 PolarHBondContact O-N 2.92Å; L117-E127 HydrophobicContact CD1-CG 3.72Å; L117-E127 HydrophobicContact CD2-CB 4.07Å; L117-E127 HydrophobicContact CD2-CG 3.9Å; L117-E127 HydrophobicContact CG-CG 4.49Å; L117-W154 HydrophobicContact CB-CZ3 4.3Å; L117-W154 HydrophobicContact CD1-CZ3 3.96Å
118	Q	98.3	Very high	98.7	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-72.9	-47.5	178.8	-66.7	-177.6	-27.4	0	0	112.3	R114 V115 L116 L120 S121 W154	R114-Q118 PolarHBondContact O-N 3.37Å; V115-Q118 PolarHBondContact O-N 2.91Å; L116-Q118 VanDerWaalsContact C-N 3.26Å; L116-Q118 PolarHBondContact O-N 3.41Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 3.35Å; Q118-S121 PolarHBondContact O-N 3.47Å; Q118-W154 HydrophobicContact CG-CH2 4.21Å; Q118-W154 HydrophobicContact CG-CZ2 4.34Å
119	A	98.6	Very high	98.7	Very high	49 Å²	49	53.6 Å²	53.6	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-31.8	-175.7	0	0	0	0	0	113.3	R88 V115 L116	R88-A119 HydrophobicContact CB-CB 4.21Å; R88-A119 HydrophobicContact CG-CB 4.34Å; V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.95Å; L116-A119 PolarHBondContact O-N 3.27Å
120	L	98.6	Very high	98.7	Very high	42 Å²	42	55.6 Å²	55.6	22%	0.22	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.6	179.8	-56.7	175.7	0	0	0	112.7	S89 F93 L116 Q118 K122	S89-L120 WeakPolarHBondContact O-CD1 3.25Å; F93-L120 HydrophobicContact CB-CD1 3.92Å; L116-L120 HydrophobicContact CB-CD1 4.41Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 2.96Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 3.35Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 HydrophobicContact CB-CD 3.64Å; L120-K122 HydrophobicContact CB-CG 3.96Å; L120-K122 HydrophobicContact CD1-CD 4.28Å; L120-K122 PolarHBondContact O-N 2.85Å
121	S	98.3	Very high	98.7	Very high	109 Å²	109	55.6 Å²	55.6	76%	0.762	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	46.5	-176.3	-58.6	0	0	0	0	112.7	L117 Q118	L117-S121 PolarHBondContact O-N 3.12Å; Q118-S121 PolarHBondContact O-N 3.47Å
122	K	98.7	Very high	98.6	Very high	53 Å²	53	51.8 Å²	51.8	23%	0.23	26%	0.259	C	S	.	.			trans	-65.4	151.7	-178.6	-57.2	-57.1	-60.1	-173.9	0	110.8	E90 F93 L117 L120 L124	E90-K122 IonicContact OE1-NZ 2.87Å; E90-K122 PolarHBondContact OE1-NZ 3.1Å; E90-K122 IonicContact OE2-NZ 3.7Å; E90-K122 PolarHBondContact OE2-NZ 2.82Å; F93-K122 HydrophobicContact CD1-CD 4.41Å; F93-K122 HydrophobicContact CE1-CD 4.45Å; F93-K122 HydrophobicContact CE1-CG 4.36Å; F93-K122 HydrophobicContact CE2-CG 4.36Å; F93-K122 HydrophobicContact CZ-CG 4.23Å; L117-K122 HydrophobicContact CD2-CB 3.68Å; L117-K122 HydrophobicContact CD2-CG 4.01Å; L117-K122 PolarHBondContact O-N 2.92Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 HydrophobicContact CB-CD 3.64Å; L120-K122 HydrophobicContact CB-CG 3.96Å; L120-K122 HydrophobicContact CD1-CD 4.28Å; L120-K122 PolarHBondContact O-N 2.85Å; K122-L124 PolarHBondContact O-N 3.47Å; K122-L124 VanDerWaalsContact O-N 3.14Å
123	D	98.5	Very high	98.6	Very high	87 Å²	87	55.8 Å²	55.8	47%	0.465	28%	0.281	S	S	.	.			trans	-69.3	110.7	174.3	-173.2	-10.5	0	0	0	110.4	R125 E126 E127	D123-R125 PolarHBondContact O-N 3.02Å; D123-R125 WeakPolarHBondContact OD1-CB 3.24Å; D123-R125 PolarHBondContact OD1-N 2.85Å; D123-E126 HydrophobicContact CB-CB 4.35Å; D123-E126 HydrophobicContact CB-CG 4.06Å; D123-E126 WeakPolarHBondContact O-CB 3.49Å; D123-E126 PolarHBondContact O-N 3.31Å; D123-E126 VanDerWaalsContact O-N 3.11Å; D123-E127 PolarHBondContact O-N 2.77Å; D123-E127 VanDerWaalsContact O-N 3.12Å
124	L	98.6	Very high	98.6	Very high	33 Å²	33	55.7 Å²	55.7	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-20.1	179.5	-64	-177.8	0	0	0	113.1	K122 E127 M128 V151 W154 L155	K122-L124 PolarHBondContact O-N 3.47Å; K122-L124 VanDerWaalsContact O-N 3.14Å; L124-E127 PolarHBondContact O-N 3.12Å; L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 PolarHBondContact O-N 2.92Å; L124-V151 HydrophobicContact CB-CG1 4.21Å; L124-W154 HydrophobicContact CD1-CB 3.52Å; L124-W154 HydrophobicContact CD1-CE3 4.15Å; L124-W154 HydrophobicContact CD1-CG 4.44Å; L124-W154 HydrophobicContact CD2-CE3 3.8Å; L124-W154 HydrophobicContact CD2-CZ3 4.23Å; L124-L155 HydrophobicContact CB-CD1 4.11Å; L124-L155 HydrophobicContact CB-CD2 3.65Å; L124-L155 HydrophobicContact CB-CG 3.75Å; L124-L155 HydrophobicContact CD1-CD2 4.3Å; L124-L155 HydrophobicContact CD1-CG 4.2Å
125	R	98.3	Very high	98.6	Very high	139 Å²	139	54 Å²	54	53%	0.525	28%	0.275	S	S	.	.	H	α-helix	trans	-74	-31.4	172.8	-62.9	-168	178.7	-83.1	-3.4	111.8	D123 K129 L155 D157	D123-R125 PolarHBondContact O-N 3.02Å; D123-R125 WeakPolarHBondContact OD1-CB 3.24Å; D123-R125 PolarHBondContact OD1-N 2.85Å; R125-K129 WeakPolarHBondContact O-CG 3.36Å; R125-K129 PolarHBondContact O-N 3.13Å; R125-L155 HydrophobicContact CG-CD2 4.23Å; R125-D157 IonicContact CZ-OD2 3.78Å; R125-D157 IonicContact NH1-OD2 3.83Å; R125-D157 PolarHBondContact NH1-OD2 2.94Å; R125-D157 IonicContact NH2-OD2 3.6Å; R125-D157 PolarHBondContact NH2-OD2 3.03Å
126	E	98.5	Very high	98.5	Very high	124 Å²	124	56.7 Å²	56.7	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-70.1	-41.8	169.4	-65.5	-165.9	147.4	0	0	110.9	D123 M128 K129 Y130	D123-E126 HydrophobicContact CB-CB 4.35Å; D123-E126 HydrophobicContact CB-CG 4.06Å; D123-E126 WeakPolarHBondContact O-CB 3.49Å; D123-E126 PolarHBondContact O-N 3.31Å; D123-E126 VanDerWaalsContact O-N 3.11Å; E126-M128 PolarHBondContact O-N 2.76Å; E126-K129 WeakPolarHBondContact O-CB 3.3Å; E126-K129 PolarHBondContact O-N 3.35Å; E126-K129 VanDerWaalsContact O-N 3.1Å; E126-Y130 PolarHBondContact O-N 3.35Å
127	E	98.8	Very high	98.5	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.028	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-35	174.7	-172.6	64.8	-176.7	0	0	112.1	R113 L117 D123 L124 K129 Y130 I131 H147 V151	R113-E127 IonicContact CZ-OE1 2.61Å; R113-E127 IonicContact CZ-OE2 3.59Å; R113-E127 IonicContact NE-OE1 3.43Å; R113-E127 PolarHBondContact NE-OE1 2.8Å; R113-E127 IonicContact NE-OE2 2.91Å; R113-E127 PolarHBondContact NE-OE2 3.47Å; R113-E127 IonicContact NH2-OE1 3.55Å; R113-E127 PolarHBondContact NH2-OE1 2.92Å; R113-E127 IonicContact NH2-OE2 3.81Å; R113-E127 PolarHBondContact NH2-OE2 3.35Å; L117-E127 HydrophobicContact CD1-CG 3.72Å; L117-E127 HydrophobicContact CD2-CB 4.07Å; L117-E127 HydrophobicContact CD2-CG 3.9Å; L117-E127 HydrophobicContact CG-CG 4.49Å; D123-E127 PolarHBondContact O-N 2.77Å; D123-E127 VanDerWaalsContact O-N 3.12Å; L124-E127 PolarHBondContact O-N 3.12Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.29Å; E127-Y130 WeakPolarHBondContact O-CB 3.32Å; E127-Y130 PolarHBondContact O-N 2.9Å; E127-I131 PolarHBondContact O-N 3.06Å; E127-H147 IonicContact OE1-CD2 3.16Å; E127-H147 IonicContact OE1-CE1 3.97Å; E127-H147 IonicContact OE1-NE2 2.78Å; E127-H147 PolarHBondContact OE1-NE2 3.43Å; E127-V151 HydrophobicContact CG-CG2 3.93Å
128	M	98.6	Very high	98.4	Very high	24 Å²	24	66 Å²	66	12%	0.118	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-39.9	174.6	-169.2	58.4	76.5	0	0	111.7	L124 E126 I131 T132 R148 V151 V152 L155	L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 PolarHBondContact O-N 2.92Å; E126-M128 PolarHBondContact O-N 2.76Å; M128-I131 WeakPolarHBondContact O-CG2 3.48Å; M128-I131 HydrophobicContact SD-CG2 3.88Å; M128-T132 WeakPolarHBondContact O-CB 3.4Å; M128-T132 PolarHBondContact O-N 2.9Å; M128-T132 PolarHBondContact O-OG1 3.3Å; M128-R148 HydrophobicContact SD-CG 4.05Å; M128-V151 HydrophobicContact CB-CG1 4.37Å; M128-V151 HydrophobicContact CE-CB 3.88Å; M128-V151 HydrophobicContact CE-CG1 3.51Å; M128-V151 HydrophobicContact SD-CG1 4.45Å; M128-V152 HydrophobicContact CE-CB 4.45Å; M128-V152 HydrophobicContact CE-CG2 3.53Å; M128-L155 HydrophobicContact CE-CD1 4.05Å
129	K	98.5	Very high	98.4	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-65.3	-42.8	174.3	-65	173.4	-172.4	173.9	0	111.2	R125 E126 E127 T132 N133	R125-K129 WeakPolarHBondContact O-CG 3.36Å; R125-K129 PolarHBondContact O-N 3.13Å; E126-K129 WeakPolarHBondContact O-CB 3.3Å; E126-K129 PolarHBondContact O-N 3.35Å; E126-K129 VanDerWaalsContact O-N 3.1Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.29Å; K129-T132 PolarHBondContact O-N 3.29Å; K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-OD1 2.99Å
130	Y	98.7	Very high	98.4	Very high	42 Å²	42	66.4 Å²	66.4	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-52.8	175.8	170	-101.7	0	0	0	111.2	A97 I100 W110 E126 E127 T132 N133 I134	A97-Y130 HydrophobicContact CB-CE2 4.35Å; I100-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I100-Y130 WeakPolarHBondContact CG2-OH 3.37Å; W110-Y130 AromaticContact CH2-CE1 3.98Å; W110-Y130 HydrophobicContact CH2-CE1 3.98Å; W110-Y130 HydrophobicContact CZ3-CE1 4.09Å; E126-Y130 PolarHBondContact O-N 3.35Å; E127-Y130 WeakPolarHBondContact O-CB 3.32Å; E127-Y130 PolarHBondContact O-N 2.9Å; Y130-T132 VanDerWaalsContact C-N 3.32Å; Y130-T132 PolarHBondContact O-N 3.46Å; Y130-N133 PolarHBondContact O-N 3.38Å; Y130-I134 HydrophobicContact CD1-CG1 4.4Å; Y130-I134 HydrophobicContact CD2-CG1 4.24Å; Y130-I134 HydrophobicContact CE1-CG1 3.99Å; Y130-I134 HydrophobicContact CE2-CD1 3.9Å; Y130-I134 HydrophobicContact CE2-CG1 3.82Å; Y130-I134 WeakPolarHBondContact O-CG1 3.32Å; Y130-I134 PolarHBondContact O-N 3.42Å; Y130-I134 VanDerWaalsContact O-N 3.1Å
131	I	98.8	Very high	98.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-29.9	-176.9	-163.9	58.9	0	0	0	113.1	W110 E127 M128 I134 I135 V144 H147 R148	W110-I131 HydrophobicContact CH2-CD1 3.5Å; W110-I131 HydrophobicContact CZ2-CD1 4.41Å; W110-I131 HydrophobicContact CZ3-CD1 3.85Å; E127-I131 PolarHBondContact O-N 3.06Å; M128-I131 WeakPolarHBondContact O-CG2 3.48Å; M128-I131 HydrophobicContact SD-CG2 3.88Å; I131-I134 HydrophobicContact CD1-CB 4.39Å; I131-I134 PolarHBondContact O-N 2.79Å; I131-I135 HydrophobicContact CD1-CG1 4.48Å; I131-I135 HydrophobicContact CG1-CD1 3.98Å; I131-I135 HydrophobicContact CG1-CG1 4.31Å; I131-I135 WeakPolarHBondContact O-CB 3.42Å; I131-I135 VanDerWaalsContact O-CG1 3.27Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 3.34Å; I131-V144 HydrophobicContact CD1-CB 3.92Å; I131-V144 HydrophobicContact CD1-CG1 4.32Å; I131-H147 HydrophobicContact CD1-CB 4.16Å; I131-H147 HydrophobicContact CG1-CB 4.47Å; I131-R148 HydrophobicContact CG1-CB 3.94Å; I131-R148 HydrophobicContact CG2-CB 4.13Å; I131-R148 HydrophobicContact CG2-CG 4.15Å
132	T	98.6	Very high	98.4	Very high	29 Å²	29	67.4 Å²	67.4	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-52.9	169.5	-69.1	0	0	0	0	110.5	M128 K129 Y130 I134 I135 E136 R148 F164	M128-T132 WeakPolarHBondContact O-CB 3.4Å; M128-T132 PolarHBondContact O-N 2.9Å; M128-T132 PolarHBondContact O-OG1 3.3Å; K129-T132 PolarHBondContact O-N 3.29Å; Y130-T132 VanDerWaalsContact C-N 3.32Å; Y130-T132 PolarHBondContact O-N 3.46Å; T132-I134 PolarHBondContact O-N 2.74Å; T132-I135 PolarHBondContact O-N 3Å; T132-E136 WeakPolarHBondContact O-CG 3.36Å; T132-E136 PolarHBondContact O-N 3.18Å; T132-R148 PolarHBondContact OG1-NH1 2.89Å; T132-F164 HydrophobicContact CG2-CD2 3.96Å; T132-F164 HydrophobicContact CG2-CE2 3.77Å
133	N	98.3	Very high	98.4	Very high	88 Å²	88	66.9 Å²	66.9	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-44	-179.2	-62.4	-8.4	0	0	0	111.8	K129 Y130 I135 E136 E137	K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-OD1 2.99Å; Y130-N133 PolarHBondContact O-N 3.38Å; N133-I135 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 2.93Å; N133-E136 PolarHBondContact O-N 3.15Å; N133-E137 PolarHBondContact O-N 2.95Å; N133-E137 VanDerWaalsContact O-N 3.14Å
134	I	98.4	Very high	98.4	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-36	-179.8	-58.1	-59.2	0	0	0	111.6	I100 W110 Y130 I131 T132 E137 Q138 V144	I100-I134 HydrophobicContact CG2-CG2 4.41Å; W110-I134 HydrophobicContact CH2-CG2 4.38Å; W110-I134 HydrophobicContact CZ2-CG2 4.31Å; Y130-I134 HydrophobicContact CD1-CG1 4.4Å; Y130-I134 HydrophobicContact CD2-CG1 4.24Å; Y130-I134 HydrophobicContact CE1-CG1 3.99Å; Y130-I134 HydrophobicContact CE2-CD1 3.9Å; Y130-I134 HydrophobicContact CE2-CG1 3.82Å; Y130-I134 WeakPolarHBondContact O-CG1 3.32Å; Y130-I134 PolarHBondContact O-N 3.42Å; Y130-I134 VanDerWaalsContact O-N 3.1Å; I131-I134 HydrophobicContact CD1-CB 4.39Å; I131-I134 PolarHBondContact O-N 2.79Å; T132-I134 PolarHBondContact O-N 2.74Å; I134-E137 PolarHBondContact O-N 2.93Å; I134-Q138 PolarHBondContact O-N 3.14Å; I134-V144 HydrophobicContact CG2-CG1 3.56Å
135	I	98.7	Very high	98.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-39.4	176	-69.1	167.4	0	0	0	111	I131 T132 N133 E137 Q138 P139 V144 W145 R148 F164 I168	I131-I135 HydrophobicContact CD1-CG1 4.48Å; I131-I135 HydrophobicContact CG1-CD1 3.98Å; I131-I135 HydrophobicContact CG1-CG1 4.31Å; I131-I135 WeakPolarHBondContact O-CB 3.42Å; I131-I135 VanDerWaalsContact O-CG1 3.27Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 3.34Å; T132-I135 PolarHBondContact O-N 3Å; N133-I135 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 2.93Å; I135-E137 VanDerWaalsContact C-N 3.25Å; I135-E137 PolarHBondContact O-N 3.42Å; I135-Q138 CarbonylContact O-C 3.11Å; I135-Q138 PolarHBondContact O-N 3.33Å; I135-P139 HydrophobicContact CG2-CB 4.46Å; I135-P139 WeakPolarHBondContact O-CA 3.29Å; I135-P139 VanDerWaalsContact O-CB 3.23Å; I135-P139 WeakPolarHBondContact O-CB 3.26Å; I135-P139 WeakPolarHBondContact O-CD 3.28Å; I135-V144 HydrophobicContact CG1-CB 3.69Å; I135-V144 HydrophobicContact CG1-CG2 3.66Å; I135-W145 HydrophobicContact CD1-CD2 4.37Å; I135-W145 HydrophobicContact CD1-CE3 4.34Å; I135-W145 HydrophobicContact CG2-CH2 4.03Å; I135-W145 HydrophobicContact CG2-CZ2 3.57Å; I135-R148 HydrophobicContact CD1-CB 3.8Å; I135-R148 HydrophobicContact CD1-CG 4.27Å; I135-F164 HydrophobicContact CB-CZ 3.83Å; I135-F164 HydrophobicContact CD1-CE1 4.11Å; I135-F164 HydrophobicContact CD1-CZ 3.94Å; I135-F164 HydrophobicContact CG1-CZ 4.49Å; I135-F164 HydrophobicContact CG2-CE1 4.28Å; I135-F164 HydrophobicContact CG2-CZ 3.6Å; I135-I168 HydrophobicContact CG2-CD1 4.07Å; I135-I168 HydrophobicContact CG2-CG1 4.34Å
136	E	97.7	Very high	98.4	Very high	90 Å²	90	59.4 Å²	59.4	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-39.1	175.9	-73	176.4	-175.4	0	0	111.6	T132 N133 I168	T132-E136 WeakPolarHBondContact O-CG 3.36Å; T132-E136 PolarHBondContact O-N 3.18Å; N133-E136 PolarHBondContact O-N 3.15Å; E136-I168 HydrophobicContact CG-CD1 3.99Å
137	E	97.3	Very high	98.5	Very high	136 Å²	136	53.5 Å²	53.5	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-75.4	-37.7	176.2	-66.8	178.7	-171.8	0	0	113.1	N133 I134 I135 P139	N133-E137 PolarHBondContact O-N 2.95Å; N133-E137 VanDerWaalsContact O-N 3.14Å; I134-E137 PolarHBondContact O-N 2.93Å; I135-E137 VanDerWaalsContact C-N 3.25Å; I135-E137 PolarHBondContact O-N 3.42Å; E137-P139 VanDerWaalsContact C-CD 3.49Å
138	Q	97.3	Very high	98.5	Very high	62 Å²	62	53.3 Å²	53.3	29%	0.29	25%	0.246	S	C	.	.			trans	-131.3	61.8	-172.4	-58.9	-174.7	58.2	0	0	112.6	A104 I134 I135 K140 N141	A104-Q138 VanDerWaalsContact CB-OE1 3.25Å; I134-Q138 PolarHBondContact O-N 3.14Å; I135-Q138 CarbonylContact O-C 3.11Å; I135-Q138 PolarHBondContact O-N 3.33Å; Q138-K140 PolarHBondContact O-N 3.43Å; Q138-N141 HydrophobicContact CB-CB 4.43Å; Q138-N141 WeakPolarHBondContact O-CB 3.47Å; Q138-N141 PolarHBondContact O-N 2.71Å
139	P	98.1	Very high	98.5	Very high	35 Å²	35	56.6 Å²	56.6	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6	-169.1	29.5	-37.1	0	0	0	114.1	I135 E137 W145 I168 N175	I135-P139 HydrophobicContact CG2-CB 4.46Å; I135-P139 WeakPolarHBondContact O-CA 3.29Å; I135-P139 VanDerWaalsContact O-CB 3.23Å; I135-P139 WeakPolarHBondContact O-CB 3.26Å; I135-P139 WeakPolarHBondContact O-CD 3.28Å; E137-P139 VanDerWaalsContact C-CD 3.49Å; P139-W145 PolarHBondContact O-NE1 2.93Å; P139-I168 HydrophobicContact CB-CG2 4.33Å; P139-N175 PolarHBondContact O-ND2 3.24Å
140	K	98.4	Very high	98.5	Very high	143 Å²	143	51.6 Å²	51.6	62%	0.622	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	26	-178.9	-62.2	-174.4	179.8	-177.1	0	113	Q138 D172	Q138-K140 PolarHBondContact O-N 3.43Å; K140-D172 WeakPolarHBondContact CE-OD2 3.28Å; K140-D172 IonicContact NZ-OD2 3.73Å; K140-D172 PolarHBondContact NZ-OD2 2.98Å
141	N	98.5	Very high	98.5	Very high	16 Å²	16	49.6 Å²	49.6	9%	0.086	23%	0.228	C	C	.	.			trans	-109.4	130.3	-179.3	172.8	-65.9	0	0	0	110.8	A104 A105 Q138 Q143 V144	A104-N141 PolarHBondContact O-ND2 3.02Å; A105-N141 WeakPolarHBondContact CA-ND2 3.49Å; A105-N141 PolarHBondContact N-ND2 3.24Å; Q138-N141 HydrophobicContact CB-CB 4.43Å; Q138-N141 WeakPolarHBondContact O-CB 3.47Å; Q138-N141 PolarHBondContact O-N 2.71Å; N141-Q143 PolarHBondContact ND2-OE1 2.8Å; N141-Q143 PolarHBondContact O-N 2.84Å; N141-Q143 WeakPolarHBondContact OD1-CA 3.35Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.46Å; N141-Q143 PolarHBondContact OD1-N 3.25Å; N141-Q143 PolarHBondContact OD1-OE1 3.3Å; N141-Q143 VanDerWaalsContact OD1-OE1 3.07Å; N141-V144 HydrophobicContact CB-CG1 4.31Å; N141-V144 HydrophobicContact CB-CG2 3.82Å; N141-V144 WeakPolarHBondContact O-CG2 3.42Å; N141-V144 PolarHBondContact OD1-N 2.84Å
142	Y	98.7	Very high	98.5	Very high	157 Å²	157	49.6 Å²	49.6	62%	0.616	23%	0.228	S	C	*	.	H	α-helix	trans	-66.9	-38.7	-177.9	-78.9	-88.7	0	0	0	113.5	H146 H177	Y142-H146 WeakPolarHBondContact O-CB 3.16Å; Y142-H146 PolarHBondContact O-N 3.46Å; Y142-H146 VanDerWaalsContact O-N 3.08Å; Y142-H177 AromaticContact CD1-CE1 3.55Å; Y142-H177 AromaticContact CD1-ND1 3.97Å; Y142-H177 AromaticContact CD2-CE1 3.78Å; Y142-H177 AromaticContact CE1-CE1 3.49Å; Y142-H177 VanDerWaalsContact CE1-CE1 3.49Å; Y142-H177 WeakPolarHBondContact CE1-CE1 3.03Å; Y142-H177 AromaticContact CE2-CE1 3.71Å; Y142-H177 AromaticContact CG-CE1 3.7Å; Y142-H177 AromaticContact CZ-CE1 3.57Å
143	Q	98.8	Very high	98.5	Very high	42 Å²	42	51.5 Å²	51.5	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-37.7	-172.6	-65.8	68	32.9	0	0	111.6	W110 N141 H146 H147	W110-Q143 HydrophobicContact CD2-CB 4.46Å; W110-Q143 HydrophobicContact CG-CB 3.95Å; N141-Q143 PolarHBondContact ND2-OE1 2.8Å; N141-Q143 PolarHBondContact O-N 2.84Å; N141-Q143 WeakPolarHBondContact OD1-CA 3.35Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.46Å; N141-Q143 PolarHBondContact OD1-N 3.25Å; N141-Q143 PolarHBondContact OD1-OE1 3.3Å; N141-Q143 VanDerWaalsContact OD1-OE1 3.07Å; Q143-H146 PolarHBondContact O-N 2.9Å; Q143-H147 VanDerWaalsContact O-CB 3.24Å; Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.05Å
144	V	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-41.6	-178.5	-60	0	0	0	0	111.7	W110 I131 I134 I135 N141 H147 R148	W110-V144 HydrophobicContact CH2-CG1 4.25Å; W110-V144 HydrophobicContact CZ2-CG1 3.65Å; I131-V144 HydrophobicContact CD1-CB 3.92Å; I131-V144 HydrophobicContact CD1-CG1 4.32Å; I134-V144 HydrophobicContact CG2-CG1 3.56Å; I135-V144 HydrophobicContact CG1-CB 3.69Å; I135-V144 HydrophobicContact CG1-CG2 3.66Å; N141-V144 HydrophobicContact CB-CG1 4.31Å; N141-V144 HydrophobicContact CB-CG2 3.82Å; N141-V144 WeakPolarHBondContact O-CG2 3.42Å; N141-V144 PolarHBondContact OD1-N 2.84Å; V144-H147 PolarHBondContact O-N 2.92Å; V144-R148 PolarHBondContact O-N 2.77Å
145	W	98.9	Very high	98.5	Very high	11 Å²	11	53 Å²	53	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-42.6	176.5	-73.1	103.6	0	0	0	111.9	I135 P139 H147 R148 R149 F164 I165 I168 H177 A178 H181	I135-W145 HydrophobicContact CD1-CD2 4.37Å; I135-W145 HydrophobicContact CD1-CE3 4.34Å; I135-W145 HydrophobicContact CG2-CH2 4.03Å; I135-W145 HydrophobicContact CG2-CZ2 3.57Å; P139-W145 PolarHBondContact O-NE1 2.93Å; W145-H147 VanDerWaalsContact C-N 3.3Å; W145-H147 PolarHBondContact O-N 3.32Å; W145-R148 PolarHBondContact O-N 2.97Å; W145-R149 WeakPolarHBondContact O-CB 3.48Å; W145-R149 PolarHBondContact O-N 2.76Å; W145-F164 AromaticContact CH2-CE1 3.98Å; W145-F164 HydrophobicContact CH2-CE1 3.98Å; W145-F164 AromaticContact CZ3-CE1 3.93Å; W145-F164 HydrophobicContact CZ3-CE1 3.93Å; W145-I165 HydrophobicContact CZ3-CG1 4.44Å; W145-I168 HydrophobicContact CH2-CG1 4.26Å; W145-I168 HydrophobicContact CH2-CG2 4.3Å; W145-I168 HydrophobicContact CZ2-CG2 4.08Å; W145-H177 HydrophobicContact CB-CB 4.46Å; W145-H177 AromaticContact CD1-CG 3.67Å; W145-H177 HydrophobicContact CD2-CB 3.91Å; W145-H177 HydrophobicContact CG-CB 3.65Å; W145-H177 HydrophobicContact CZ2-CB 4.47Å; W145-H177 VanDerWaalsContact NE1-CB 3.26Å; W145-H177 AromaticContact NE1-CG 3.94Å; W145-A178 HydrophobicContact CH2-CB 3.7Å; W145-A178 HydrophobicContact CZ2-CB 3.83Å; W145-H181 HydrophobicContact CE3-CB 3.59Å; W145-H181 AromaticContact CE3-CD2 3.91Å; W145-H181 AromaticContact CE3-CG 3.65Å; W145-H181 HydrophobicContact CZ3-CB 3.76Å; W145-H181 AromaticContact CZ3-CD2 3.75Å; W145-H181 AromaticContact CZ3-CG 3.87Å
146	H	98.9	Very high	98.5	Very high	91 Å²	91	58.5 Å²	58.5	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-40.9	174	178.9	58.5	0	0	0	111.7	Y142 Q143 R149 M150	Y142-H146 WeakPolarHBondContact O-CB 3.16Å; Y142-H146 PolarHBondContact O-N 3.46Å; Y142-H146 VanDerWaalsContact O-N 3.08Å; Q143-H146 PolarHBondContact O-N 2.9Å; H146-R149 PolarHBondContact O-N 3.28Å; H146-M150 WeakPolarHBondContact O-CG 2.93Å; H146-M150 PolarHBondContact O-N 3.11Å
147	H	98.9	Very high	98.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-45.9	177	-171	78.9	0	0	0	111.8	W110 R114 E127 I131 Q143 V144 W145 R149 M150 V151	W110-H147 HydrophobicContact CE3-CB 3.85Å; W110-H147 AromaticContact CE3-CD2 3.94Å; W110-H147 AromaticContact CE3-CE1 3.95Å; W110-H147 AromaticContact CE3-CG 3.52Å; W110-H147 AromaticContact CE3-ND1 3.56Å; W110-H147 HydrophobicContact CZ3-CB 3.97Å; W110-H147 AromaticContact CZ3-CD2 3.48Å; W110-H147 VanDerWaalsContact CZ3-CD2 3.48Å; W110-H147 WeakPolarHBondContact CZ3-CD2 3.4Å; W110-H147 AromaticContact CZ3-CG 3.53Å; W110-H147 AromaticContact CZ3-ND1 3.94Å; W110-H147 AromaticContact CZ3-NE2 3.81Å; R114-H147 WeakPolarHBondContact CG-ND1 3.4Å; R114-H147 PolarHBondContact NH1-ND1 2.9Å; E127-H147 IonicContact OE1-CD2 3.16Å; E127-H147 IonicContact OE1-CE1 3.97Å; E127-H147 IonicContact OE1-NE2 2.78Å; E127-H147 PolarHBondContact OE1-NE2 3.43Å; I131-H147 HydrophobicContact CD1-CB 4.16Å; I131-H147 HydrophobicContact CG1-CB 4.47Å; Q143-H147 VanDerWaalsContact O-CB 3.24Å; Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.05Å; V144-H147 PolarHBondContact O-N 2.92Å; W145-H147 VanDerWaalsContact C-N 3.3Å; W145-H147 PolarHBondContact O-N 3.32Å; H147-R149 VanDerWaalsContact C-N 3.33Å; H147-R149 PolarHBondContact O-N 2.99Å; H147-M150 WeakPolarHBondContact O-CB 3.17Å; H147-M150 PolarHBondContact O-N 3.37Å; H147-V151 WeakPolarHBondContact O-CG2 3.47Å; H147-V151 PolarHBondContact O-N 3.07Å
148	R	98.8	Very high	98.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-48.3	174.5	-174.8	-176.6	-173	88.5	3.7	111.4	M128 I131 T132 I135 V144 W145 M150 V151 V152 E161 F164	M128-R148 HydrophobicContact SD-CG 4.05Å; I131-R148 HydrophobicContact CG1-CB 3.94Å; I131-R148 HydrophobicContact CG2-CB 4.13Å; I131-R148 HydrophobicContact CG2-CG 4.15Å; T132-R148 PolarHBondContact OG1-NH1 2.89Å; I135-R148 HydrophobicContact CD1-CB 3.8Å; I135-R148 HydrophobicContact CD1-CG 4.27Å; V144-R148 PolarHBondContact O-N 2.77Å; W145-R148 PolarHBondContact O-N 2.97Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 2.99Å; R148-V151 PolarHBondContact O-N 3.1Å; R148-V151 VanDerWaalsContact O-N 3.11Å; R148-V152 HydrophobicContact CG-CG2 4.4Å; R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 3.23Å; R148-E161 IonicContact CZ-OE1 2.69Å; R148-E161 VanDerWaalsContact CZ-OE1 3.28Å; R148-E161 IonicContact CZ-OE2 3.75Å; R148-E161 IonicContact NE-OE1 3.17Å; R148-E161 PolarHBondContact NE-OE1 2.67Å; R148-E161 VanDerWaalsContact NE-OE1 3.12Å; R148-E161 IonicContact NE-OE2 2.76Å; R148-E161 PolarHBondContact NE-OE2 3.4Å; R148-E161 IonicContact NH2-OE1 3.51Å; R148-E161 PolarHBondContact NH2-OE1 3.18Å; R148-E161 IonicContact NH2-OE2 3.76Å; R148-F164 VanDerWaalsContact CZ-CE1 3.48Å; R148-F164 VanDerWaalsContact NE-CD1 3.32Å
149	R	98.8	Very high	98.6	Very high	93 Å²	93	52.3 Å²	52.3	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-53.1	-49.1	175.3	171.7	170.9	172.3	167.8	4	112.1	W145 H146 H147 V151 V152 E153 W184	W145-R149 WeakPolarHBondContact O-CB 3.48Å; W145-R149 PolarHBondContact O-N 2.76Å; H146-R149 PolarHBondContact O-N 3.28Å; H147-R149 VanDerWaalsContact C-N 3.33Å; H147-R149 PolarHBondContact O-N 2.99Å; R149-V151 VanDerWaalsContact C-N 3.31Å; R149-V151 PolarHBondContact O-N 3.38Å; R149-V152 PolarHBondContact O-N 3.09Å; R149-E153 HydrophobicContact CG-CG 4.37Å; R149-E153 IonicContact CZ-OE1 2.98Å; R149-E153 IonicContact NE-OE1 2.7Å; R149-E153 PolarHBondContact NE-OE1 2.91Å; R149-E153 IonicContact NH2-OE1 3.25Å; R149-E153 PolarHBondContact NH2-OE1 3.41Å; R149-E153 VanDerWaalsContact NH2-OE1 3.1Å; R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 3.18Å; R149-W184 HydrophobicContact CB-CE3 4.41Å; R149-W184 HydrophobicContact CB-CH2 4.36Å; R149-W184 HydrophobicContact CB-CZ3 4.14Å; R149-W184 HydrophobicContact CG-CD2 4.1Å; R149-W184 HydrophobicContact CG-CE3 4.02Å; R149-W184 HydrophobicContact CG-CH2 3.71Å; R149-W184 HydrophobicContact CG-CZ2 3.75Å; R149-W184 HydrophobicContact CG-CZ3 3.86Å; R149-W184 VanDerWaalsContact CZ-CD1 3.49Å; R149-W184 VanDerWaalsContact CZ-NE1 3.32Å
150	M	98.7	Very high	98.6	Very high	39 Å²	39	53 Å²	53	19%	0.192	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-41.7	177.6	-69.8	-69.3	-53.3	0	0	112.2	H146 H147 R148 E153 W154	H146-M150 WeakPolarHBondContact O-CG 2.93Å; H146-M150 PolarHBondContact O-N 3.11Å; H147-M150 WeakPolarHBondContact O-CB 3.17Å; H147-M150 PolarHBondContact O-N 3.37Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 2.99Å; M150-E153 PolarHBondContact O-N 3.49Å; M150-W154 HydrophobicContact CE-CZ2 3.56Å; M150-W154 WeakPolarHBondContact O-CB 3.5Å; M150-W154 PolarHBondContact O-N 3.02Å
151	V	98.8	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-40.5	178.2	-178.1	0	0	0	0	111.1	L124 E127 M128 H147 R148 R149 W154 L155	L124-V151 HydrophobicContact CB-CG1 4.21Å; E127-V151 HydrophobicContact CG-CG2 3.93Å; M128-V151 HydrophobicContact CB-CG1 4.37Å; M128-V151 HydrophobicContact CE-CB 3.88Å; M128-V151 HydrophobicContact CE-CG1 3.51Å; M128-V151 HydrophobicContact SD-CG1 4.45Å; H147-V151 WeakPolarHBondContact O-CG2 3.47Å; H147-V151 PolarHBondContact O-N 3.07Å; R148-V151 PolarHBondContact O-N 3.1Å; R148-V151 VanDerWaalsContact O-N 3.11Å; R149-V151 VanDerWaalsContact C-N 3.31Å; R149-V151 PolarHBondContact O-N 3.38Å; V151-W154 PolarHBondContact O-N 3.14Å; V151-L155 HydrophobicContact CG1-CD1 3.98Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.93Å
152	V	98.8	Very high	98.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-46.1	173.3	175.1	0	0	0	0	110.9	M128 R148 R149 W154 L155 N156 D157 E161 W184 Y189	M128-V152 HydrophobicContact CE-CB 4.45Å; M128-V152 HydrophobicContact CE-CG2 3.53Å; R148-V152 HydrophobicContact CG-CG2 4.4Å; R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 3.23Å; R149-V152 PolarHBondContact O-N 3.09Å; V152-W154 VanDerWaalsContact C-N 3.35Å; V152-W154 PolarHBondContact O-N 3.34Å; V152-L155 PolarHBondContact O-N 3.13Å; V152-N156 VanDerWaalsContact O-CA 3.29Å; V152-N156 WeakPolarHBondContact O-CA 3.01Å; V152-N156 PolarHBondContact O-N 2.91Å; V152-D157 PolarHBondContact O-N 3.42Å; V152-E161 HydrophobicContact CG1-CG 4.38Å; V152-E161 VanDerWaalsContact CG2-CD 3.41Å; V152-E161 HydrophobicContact CG2-CG 4Å; V152-E161 WeakPolarHBondContact CG2-OE2 3.11Å; V152-W184 HydrophobicContact CB-CH2 3.91Å; V152-W184 HydrophobicContact CB-CZ3 4.3Å; V152-W184 HydrophobicContact CG1-CH2 3.68Å; V152-W184 HydrophobicContact CG1-CZ3 4.15Å; V152-Y189 HydrophobicContact CG1-CE2 3.94Å
153	E	98.8	Very high	98.6	Very high	68 Å²	68	46 Å²	46	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-60.5	-42.1	177.9	-73.8	172.7	170.3	0	0	111.6	R149 M150 N156 W184	R149-E153 HydrophobicContact CG-CG 4.37Å; R149-E153 IonicContact CZ-OE1 2.98Å; R149-E153 IonicContact NE-OE1 2.7Å; R149-E153 PolarHBondContact NE-OE1 2.91Å; R149-E153 IonicContact NH2-OE1 3.25Å; R149-E153 PolarHBondContact NH2-OE1 3.41Å; R149-E153 VanDerWaalsContact NH2-OE1 3.1Å; R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 3.18Å; M150-E153 PolarHBondContact O-N 3.49Å; E153-N156 PolarHBondContact O-N 3.33Å; E153-W184 HydrophobicContact CG-CH2 4.05Å; E153-W184 HydrophobicContact CG-CZ2 3.61Å
154	W	98.7	Very high	98.6	Very high	78 Å²	78	44.5 Å²	44.5	30%	0.295	23%	0.229	S	C	.	.	H	α-helix	trans	-70.1	-37.6	177.8	-66.5	-19.1	0	0	0	113.8	R114 L117 Q118 L124 M150 V151 V152 N156	R114-W154 HydrophobicContact CB-CH2 3.78Å; R114-W154 HydrophobicContact CG-CH2 3.74Å; R114-W154 HydrophobicContact CG-CZ3 4.37Å; L117-W154 HydrophobicContact CB-CZ3 4.3Å; L117-W154 HydrophobicContact CD1-CZ3 3.96Å; Q118-W154 HydrophobicContact CG-CH2 4.21Å; Q118-W154 HydrophobicContact CG-CZ2 4.34Å; L124-W154 HydrophobicContact CD1-CB 3.52Å; L124-W154 HydrophobicContact CD1-CE3 4.15Å; L124-W154 HydrophobicContact CD1-CG 4.44Å; L124-W154 HydrophobicContact CD2-CE3 3.8Å; L124-W154 HydrophobicContact CD2-CZ3 4.23Å; M150-W154 HydrophobicContact CE-CZ2 3.56Å; M150-W154 WeakPolarHBondContact O-CB 3.5Å; M150-W154 PolarHBondContact O-N 3.02Å; V151-W154 PolarHBondContact O-N 3.14Å; V152-W154 VanDerWaalsContact C-N 3.35Å; V152-W154 PolarHBondContact O-N 3.34Å; W154-N156 VanDerWaalsContact C-N 3.31Å
155	L	98.4	Very high	98.6	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-74.5	-25.5	173.9	-76.8	171.3	0	0	0	112.3	L124 R125 M128 V151 V152 D157	L124-L155 HydrophobicContact CB-CD1 4.11Å; L124-L155 HydrophobicContact CB-CD2 3.65Å; L124-L155 HydrophobicContact CB-CG 3.75Å; L124-L155 HydrophobicContact CD1-CD2 4.3Å; L124-L155 HydrophobicContact CD1-CG 4.2Å; R125-L155 HydrophobicContact CG-CD2 4.23Å; M128-L155 HydrophobicContact CE-CD1 4.05Å; V151-L155 HydrophobicContact CG1-CD1 3.98Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.93Å; V152-L155 PolarHBondContact O-N 3.13Å; L155-D157 HydrophobicContact CB-CB 3.97Å; L155-D157 PolarHBondContact O-N 3.47Å
156	N	98.5	Very high	98.6	Very high	116 Å²	116	44.9 Å²	44.9	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	42.3	-167.1	-165	47.3	0	0	0	112.4	V152 E153 W154 Y189	V152-N156 VanDerWaalsContact O-CA 3.29Å; V152-N156 WeakPolarHBondContact O-CA 3.01Å; V152-N156 PolarHBondContact O-N 2.91Å; E153-N156 PolarHBondContact O-N 3.33Å; W154-N156 VanDerWaalsContact C-N 3.31Å; N156-Y189 WeakPolarHBondContact OD1-CE1 3.31Å
157	D	98.5	Very high	98.6	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.193	23%	0.232	C	C	.	.			trans	-133.1	96.8	-172	-176	-0.9	0	0	0	110.4	R125 V152 L155 S159	R125-D157 IonicContact CZ-OD2 3.78Å; R125-D157 IonicContact NH1-OD2 3.83Å; R125-D157 PolarHBondContact NH1-OD2 2.94Å; R125-D157 IonicContact NH2-OD2 3.6Å; R125-D157 PolarHBondContact NH2-OD2 3.03Å; V152-D157 PolarHBondContact O-N 3.42Å; L155-D157 HydrophobicContact CB-CB 3.97Å; L155-D157 PolarHBondContact O-N 3.47Å; D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.49Å; D157-S159 PolarHBondContact OD1-N 3.42Å; D157-S159 VanDerWaalsContact OD1-N 3.16Å; D157-S159 PolarHBondContact OD1-OG 3.26Å
158	P	98.5	Very high	98.6	Very high	24 Å²	24	44 Å²	44	16%	0.156	23%	0.233	C	C	.	.			trans	-88.6	5.5	179.9	38.6	-39.5	0	0	0	113.2	A160 E161 V185 Y189 L191	P158-A160 PolarHBondContact O-N 2.85Å; P158-A160 VanDerWaalsContact O-N 3.08Å; P158-E161 HydrophobicContact CB-CG 4.39Å; P158-E161 WeakPolarHBondContact O-CB 3.5Å; P158-E161 PolarHBondContact O-N 3.5Å; P158-V185 HydrophobicContact CB-CG1 4.18Å; P158-Y189 HydrophobicContact CB-CD1 4.05Å; P158-Y189 HydrophobicContact CB-CD2 3.65Å; P158-Y189 HydrophobicContact CB-CE1 4.4Å; P158-Y189 HydrophobicContact CB-CE2 4.04Å; P158-Y189 HydrophobicContact CB-CG 3.66Å; P158-Y189 HydrophobicContact CG-CD1 3.58Å; P158-Y189 HydrophobicContact CG-CD2 4.11Å; P158-Y189 HydrophobicContact CG-CE1 4.12Å; P158-Y189 HydrophobicContact CG-CG 3.57Å; P158-L191 HydrophobicContact CB-CD1 4.04Å; P158-L191 HydrophobicContact CG-CD1 4.16Å
159	S	97.8	Very high	98.6	Very high	98 Å²	98	44 Å²	44	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.3	-163	57.4	0	0	0	0	114.9	D157	D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.49Å; D157-S159 PolarHBondContact OD1-N 3.42Å; D157-S159 VanDerWaalsContact OD1-N 3.16Å; D157-S159 PolarHBondContact OD1-OG 3.26Å
160	A	97.7	Very high	98.6	Very high	50 Å²	50	44.1 Å²	44.1	41%	0.413	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-11.2	179.2	0	0	0	0	0	113.8	P158 Q163 F164	P158-A160 PolarHBondContact O-N 2.85Å; P158-A160 VanDerWaalsContact O-N 3.08Å; A160-Q163 PolarHBondContact O-N 3.37Å; A160-F164 WeakPolarHBondContact O-CB 3.38Å; A160-F164 PolarHBondContact O-N 3.01Å
161	E	98.8	Very high	98.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-46.7	-163.6	-66.2	-54.7	96.6	0	0	112.8	R148 V152 P158 Q163 F164 I165 H181 V185	R148-E161 IonicContact CZ-OE1 2.69Å; R148-E161 VanDerWaalsContact CZ-OE1 3.28Å; R148-E161 IonicContact CZ-OE2 3.75Å; R148-E161 IonicContact NE-OE1 3.17Å; R148-E161 PolarHBondContact NE-OE1 2.67Å; R148-E161 VanDerWaalsContact NE-OE1 3.12Å; R148-E161 IonicContact NE-OE2 2.76Å; R148-E161 PolarHBondContact NE-OE2 3.4Å; R148-E161 IonicContact NH2-OE1 3.51Å; R148-E161 PolarHBondContact NH2-OE1 3.18Å; R148-E161 IonicContact NH2-OE2 3.76Å; V152-E161 HydrophobicContact CG1-CG 4.38Å; V152-E161 VanDerWaalsContact CG2-CD 3.41Å; V152-E161 HydrophobicContact CG2-CG 4Å; V152-E161 WeakPolarHBondContact CG2-OE2 3.11Å; P158-E161 HydrophobicContact CB-CG 4.39Å; P158-E161 WeakPolarHBondContact O-CB 3.5Å; P158-E161 PolarHBondContact O-N 3.5Å; E161-Q163 VanDerWaalsContact C-N 3.29Å; E161-Q163 PolarHBondContact O-N 3.46Å; E161-F164 PolarHBondContact O-N 2.94Å; E161-I165 HydrophobicContact CB-CD1 4.4Å; E161-I165 WeakPolarHBondContact O-CB 3.5Å; E161-I165 VanDerWaalsContact O-CD1 3.27Å; E161-I165 WeakPolarHBondContact O-CD1 3.49Å; E161-I165 WeakPolarHBondContact O-CG1 3.35Å; E161-I165 PolarHBondContact O-N 3.3Å; E161-H181 IonicContact OE2-CD2 3.84Å; E161-H181 IonicContact OE2-CE1 2.82Å; E161-H181 IonicContact OE2-NE2 3.73Å; E161-H181 PolarHBondContact OE2-NE2 3.28Å; E161-V185 HydrophobicContact CB-CB 4.43Å; E161-V185 HydrophobicContact CB-CG1 3.76Å; E161-V185 HydrophobicContact CB-CG2 3.88Å; E161-V185 HydrophobicContact CG-CG1 4.26Å; E161-V185 HydrophobicContact CG-CG2 3.95Å
162	L	98.8	Very high	98.5	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-35.1	-176.8	-62.2	-174.5	0	0	0	112.4	A166 R182 V185 I186 L191	L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 3.29Å; L162-A166 VanDerWaalsContact O-N 3.1Å; L162-R182 HydrophobicContact CD2-CG 4.16Å; L162-R182 PolarHBondContact O-NH1 3.06Å; L162-V185 HydrophobicContact CD2-CG1 4.21Å; L162-I186 HydrophobicContact CD2-CD1 4.23Å; L162-I186 HydrophobicContact CD2-CG1 3.83Å; L162-L191 HydrophobicContact CD1-CB 4.07Å; L162-L191 HydrophobicContact CD1-CD1 4.18Å; L162-L191 HydrophobicContact CG-CD1 4.32Å
163	Q	98.7	Very high	98.4	Very high	123 Å²	123	52.3 Å²	52.3	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-71.5	-50	175.8	-176.3	60	54.8	0	0	110.9	A160 E161 I165 A166 D167	A160-Q163 PolarHBondContact O-N 3.37Å; E161-Q163 VanDerWaalsContact C-N 3.29Å; E161-Q163 PolarHBondContact O-N 3.46Å; Q163-I165 VanDerWaalsContact C-N 3.28Å; Q163-I165 PolarHBondContact O-N 2.98Å; Q163-A166 WeakPolarHBondContact O-CA 3.35Å; Q163-A166 WeakPolarHBondContact O-CB 3.38Å; Q163-A166 PolarHBondContact O-N 3.18Å; Q163-D167 PolarHBondContact NE2-OD1 3.05Å; Q163-D167 VanDerWaalsContact O-CG 3.27Å; Q163-D167 PolarHBondContact O-N 2.99Å
164	F	98.8	Very high	98.4	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-55.1	-45.2	177.6	167.5	-106.1	0	0	0	112	T132 I135 W145 R148 A160 E161 A166 D167 I168	T132-F164 HydrophobicContact CG2-CD2 3.96Å; T132-F164 HydrophobicContact CG2-CE2 3.77Å; I135-F164 HydrophobicContact CB-CZ 3.83Å; I135-F164 HydrophobicContact CD1-CE1 4.11Å; I135-F164 HydrophobicContact CD1-CZ 3.94Å; I135-F164 HydrophobicContact CG1-CZ 4.49Å; I135-F164 HydrophobicContact CG2-CE1 4.28Å; I135-F164 HydrophobicContact CG2-CZ 3.6Å; W145-F164 AromaticContact CH2-CE1 3.98Å; W145-F164 HydrophobicContact CH2-CE1 3.98Å; W145-F164 AromaticContact CZ3-CE1 3.93Å; W145-F164 HydrophobicContact CZ3-CE1 3.93Å; R148-F164 VanDerWaalsContact CZ-CE1 3.48Å; R148-F164 VanDerWaalsContact NE-CD1 3.32Å; A160-F164 WeakPolarHBondContact O-CB 3.38Å; A160-F164 PolarHBondContact O-N 3.01Å; E161-F164 PolarHBondContact O-N 2.94Å; F164-A166 VanDerWaalsContact C-N 3.33Å; F164-A166 PolarHBondContact O-N 3.46Å; F164-D167 WeakPolarHBondContact O-CB 3.39Å; F164-D167 PolarHBondContact O-N 2.9Å; F164-I168 HydrophobicContact CD2-CG1 4.5Å; F164-I168 HydrophobicContact CE1-CG1 4.2Å; F164-I168 HydrophobicContact CE2-CD1 4.02Å; F164-I168 HydrophobicContact CE2-CG1 3.95Å; F164-I168 HydrophobicContact CZ-CD1 4.08Å; F164-I168 HydrophobicContact CZ-CG1 3.8Å; F164-I168 WeakPolarHBondContact O-CG1 3.44Å; F164-I168 PolarHBondContact O-N 3.23Å
165	I	98.8	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-38.1	178.3	-64.2	162.1	0	0	0	111.1	W145 E161 Q163 D167 I168 L169 A178 R182	W145-I165 HydrophobicContact CZ3-CG1 4.44Å; E161-I165 HydrophobicContact CB-CD1 4.4Å; E161-I165 WeakPolarHBondContact O-CB 3.5Å; E161-I165 VanDerWaalsContact O-CD1 3.27Å; E161-I165 WeakPolarHBondContact O-CD1 3.49Å; E161-I165 WeakPolarHBondContact O-CG1 3.35Å; E161-I165 PolarHBondContact O-N 3.3Å; Q163-I165 VanDerWaalsContact C-N 3.28Å; Q163-I165 PolarHBondContact O-N 2.98Å; I165-D167 VanDerWaalsContact C-N 3.28Å; I165-D167 PolarHBondContact O-N 3.35Å; I165-I168 PolarHBondContact O-N 3.06Å; I165-L169 HydrophobicContact CG2-CD1 3.87Å; I165-L169 HydrophobicContact CG2-CG 4.18Å; I165-L169 WeakPolarHBondContact O-CB 3.04Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.37Å; I165-L169 PolarHBondContact O-N 3.03Å; I165-A178 HydrophobicContact CG2-CB 4.26Å; I165-R182 HydrophobicContact CD1-CB 3.98Å; I165-R182 HydrophobicContact CD1-CG 4.05Å; I165-R182 HydrophobicContact CG2-CB 3.93Å; I165-R182 HydrophobicContact CG2-CG 3.98Å
166	A	98.7	Very high	98.4	Very high	20 Å²	20	56.2 Å²	56.2	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-39.9	174.5	0	0	0	0	0	111.1	L162 Q163 F164 I168 L169 S170 F198	L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 3.29Å; L162-A166 VanDerWaalsContact O-N 3.1Å; Q163-A166 WeakPolarHBondContact O-CA 3.35Å; Q163-A166 WeakPolarHBondContact O-CB 3.38Å; Q163-A166 PolarHBondContact O-N 3.18Å; F164-A166 VanDerWaalsContact C-N 3.33Å; F164-A166 PolarHBondContact O-N 3.46Å; A166-I168 PolarHBondContact O-N 2.87Å; A166-L169 PolarHBondContact O-N 3.39Å; A166-S170 PolarHBondContact O-N 3.14Å; A166-F198 HydrophobicContact CB-CE2 3.85Å; A166-F198 HydrophobicContact CB-CZ 4.12Å
167	D	98.6	Very high	98.4	Very high	67 Å²	67	51.7 Å²	51.7	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176.6	-58	-26	0	0	0	111.7	Q163 F164 I165 S170 Q171	Q163-D167 PolarHBondContact NE2-OD1 3.05Å; Q163-D167 VanDerWaalsContact O-CG 3.27Å; Q163-D167 PolarHBondContact O-N 2.99Å; F164-D167 WeakPolarHBondContact O-CB 3.39Å; F164-D167 PolarHBondContact O-N 2.9Å; I165-D167 VanDerWaalsContact C-N 3.28Å; I165-D167 PolarHBondContact O-N 3.35Å; D167-S170 PolarHBondContact O-N 3.43Å; D167-S170 PolarHBondContact O-OG 3.22Å; D167-Q171 PolarHBondContact O-NE2 2.9Å
168	I	98.7	Very high	98.4	Very high	4 Å²	4	50 Å²	50	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-42.6	173.9	-61.2	-59.3	0	0	0	111.5	I135 E136 P139 W145 F164 I165 A166 S170 Q171 D172 A178	I135-I168 HydrophobicContact CG2-CD1 4.07Å; I135-I168 HydrophobicContact CG2-CG1 4.34Å; E136-I168 HydrophobicContact CG-CD1 3.99Å; P139-I168 HydrophobicContact CB-CG2 4.33Å; W145-I168 HydrophobicContact CH2-CG1 4.26Å; W145-I168 HydrophobicContact CH2-CG2 4.3Å; W145-I168 HydrophobicContact CZ2-CG2 4.08Å; F164-I168 HydrophobicContact CD2-CG1 4.5Å; F164-I168 HydrophobicContact CE1-CG1 4.2Å; F164-I168 HydrophobicContact CE2-CD1 4.02Å; F164-I168 HydrophobicContact CE2-CG1 3.95Å; F164-I168 HydrophobicContact CZ-CD1 4.08Å; F164-I168 HydrophobicContact CZ-CG1 3.8Å; F164-I168 WeakPolarHBondContact O-CG1 3.44Å; F164-I168 PolarHBondContact O-N 3.23Å; I165-I168 PolarHBondContact O-N 3.06Å; A166-I168 PolarHBondContact O-N 2.87Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 2.93Å; I168-Q171 PolarHBondContact O-N 2.86Å; I168-Q171 VanDerWaalsContact O-N 3.14Å; I168-D172 PolarHBondContact O-N 3.17Å; I168-A178 HydrophobicContact CG2-CB 3.99Å
169	L	98.6	Very high	98.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-25.3	178.1	-70.4	176.1	0	0	0	112.4	I165 A166 Q171 D172 A173 N175 A178 W179 F198	I165-L169 HydrophobicContact CG2-CD1 3.87Å; I165-L169 HydrophobicContact CG2-CG 4.18Å; I165-L169 WeakPolarHBondContact O-CB 3.04Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.37Å; I165-L169 PolarHBondContact O-N 3.03Å; A166-L169 PolarHBondContact O-N 3.39Å; L169-Q171 PolarHBondContact O-N 3.25Å; L169-D172 CarbonylContact O-C 3.32Å; L169-D172 VanDerWaalsContact O-C 3.27Å; L169-A173 WeakPolarHBondContact O-CA 3.24Å; L169-A173 WeakPolarHBondContact O-CB 3.31Å; L169-A173 PolarHBondContact O-N 3.46Å; L169-N175 HydrophobicContact CD2-CB 4.47Å; L169-A178 HydrophobicContact CD2-CB 3.8Å; L169-A178 HydrophobicContact CG-CB 4.13Å; L169-W179 HydrophobicContact CD1-CD2 4.07Å; L169-W179 HydrophobicContact CD1-CE3 4.21Å; L169-W179 HydrophobicContact CD1-CH2 3.94Å; L169-W179 HydrophobicContact CD1-CZ2 3.79Å; L169-W179 HydrophobicContact CD1-CZ3 4.11Å; L169-W179 HydrophobicContact CD2-CD2 4.28Å; L169-W179 HydrophobicContact CD2-CG 4.28Å; L169-W179 HydrophobicContact CD2-CZ2 4.37Å; L169-F198 HydrophobicContact CD1-CE1 4.17Å; L169-F198 HydrophobicContact CD1-CZ 4.1Å
170	S	98.2	Very high	98.5	Very high	97 Å²	97	49.9 Å²	49.9	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-64.9	-26.1	172.1	81	0	0	0	0	112.6	A166 D167 I168	A166-S170 PolarHBondContact O-N 3.14Å; D167-S170 PolarHBondContact O-N 3.43Å; D167-S170 PolarHBondContact O-OG 3.22Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 2.93Å
171	Q	97.6	Very high	98.5	Very high	131 Å²	131	48 Å²	48	61%	0.612	24%	0.241	S	C	*	.	H	α-helix	trans	-90.7	-40.4	178.1	-61.5	172.9	62.8	0	0	112.1	D167 I168 L169	D167-Q171 PolarHBondContact O-NE2 2.9Å; I168-Q171 PolarHBondContact O-N 2.86Å; I168-Q171 VanDerWaalsContact O-N 3.14Å; L169-Q171 PolarHBondContact O-N 3.25Å
172	D	98.1	Very high	98.5	Very high	47 Å²	47	48.3 Å²	48.3	25%	0.251	24%	0.242	S	C	.	.			trans	-140.3	92	172.8	-176.9	-7.5	0	0	0	109.9	K140 I168 L169 K174 N175	K140-D172 WeakPolarHBondContact CE-OD2 3.28Å; K140-D172 IonicContact NZ-OD2 3.73Å; K140-D172 PolarHBondContact NZ-OD2 2.98Å; I168-D172 PolarHBondContact O-N 3.17Å; L169-D172 CarbonylContact O-C 3.32Å; L169-D172 VanDerWaalsContact O-C 3.27Å; D172-K174 PolarHBondContact O-N 3.28Å; D172-K174 PolarHBondContact OD1-N 2.88Å; D172-K174 VanDerWaalsContact OD1-N 3.11Å; D172-N175 HydrophobicContact CB-CB 4.21Å; D172-N175 WeakPolarHBondContact O-CB 3.36Å; D172-N175 PolarHBondContact O-N 3.26Å; D172-N175 PolarHBondContact OD1-N 2.62Å
173	A	98	Very high	98.5	Very high	33 Å²	33	48.2 Å²	48.2	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-5.9	-176.2	0	0	0	0	0	114.1	L169 W179 N209	L169-A173 WeakPolarHBondContact O-CA 3.24Å; L169-A173 WeakPolarHBondContact O-CB 3.31Å; L169-A173 PolarHBondContact O-N 3.46Å; A173-W179 PolarHBondContact O-NE1 3.14Å; A173-N209 PolarHBondContact O-ND2 3.38Å; A173-N209 VanDerWaalsContact O-ND2 3.1Å
174	K	97.5	Very high	98.6	Very high	106 Å²	106	43.4 Å²	43.4	46%	0.461	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	12.2	179.9	-57.1	-175.4	-172.8	-178	0	112.1	D172 Y176 D206	D172-K174 PolarHBondContact O-N 3.28Å; D172-K174 PolarHBondContact OD1-N 2.88Å; D172-K174 VanDerWaalsContact OD1-N 3.11Å; K174-Y176 PolarHBondContact O-N 2.85Å; K174-D206 IonicContact NZ-OD2 2.86Å
175	N	98.7	Very high	98.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.215	C	C	.	.			trans	-59.7	112.2	175.7	-174.7	-51.3	0	0	0	110.7	P139 L169 D172 H177 A178 W179	P139-N175 PolarHBondContact O-ND2 3.24Å; L169-N175 HydrophobicContact CD2-CB 4.47Å; D172-N175 HydrophobicContact CB-CB 4.21Å; D172-N175 WeakPolarHBondContact O-CB 3.36Å; D172-N175 PolarHBondContact O-N 3.26Å; D172-N175 PolarHBondContact OD1-N 2.62Å; N175-H177 VanDerWaalsContact C-N 3.35Å; N175-H177 PolarHBondContact O-N 3.49Å; N175-H177 WeakPolarHBondContact OD1-CB 3.41Å; N175-H177 PolarHBondContact OD1-N 3.39Å; N175-A178 HydrophobicContact CB-CB 3.9Å; N175-A178 PolarHBondContact O-N 2.95Å; N175-A178 PolarHBondContact OD1-N 3.36Å; N175-W179 VanDerWaalsContact O-CD1 3.23Å; N175-W179 PolarHBondContact O-N 3.14Å; N175-W179 VanDerWaalsContact O-N 3.14Å
176	Y	98.6	Very high	98.6	Very high	167 Å²	167	42.9 Å²	42.9	66%	0.655	22%	0.215	S	C	*	.	H	α-helix	trans	-65	-37.7	-174.2	-166.2	-93.7	0	0	0	112.7	K174 Q180	K174-Y176 PolarHBondContact O-N 2.85Å; Y176-Q180 VanDerWaalsContact O-CB 3.3Å; Y176-Q180 WeakPolarHBondContact O-CB 3.4Å; Y176-Q180 PolarHBondContact O-N 3.2Å
177	H	98.8	Very high	98.6	Very high	20 Å²	20	46 Å²	46	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-39.7	179.3	-56.2	-76.8	0	0	0	111.9	Y142 W145 N175 Q180 H181	Y142-H177 AromaticContact CD1-CE1 3.55Å; Y142-H177 AromaticContact CD1-ND1 3.97Å; Y142-H177 AromaticContact CD2-CE1 3.78Å; Y142-H177 AromaticContact CE1-CE1 3.49Å; Y142-H177 VanDerWaalsContact CE1-CE1 3.49Å; Y142-H177 WeakPolarHBondContact CE1-CE1 3.03Å; Y142-H177 AromaticContact CE2-CE1 3.71Å; Y142-H177 AromaticContact CG-CE1 3.7Å; Y142-H177 AromaticContact CZ-CE1 3.57Å; W145-H177 HydrophobicContact CB-CB 4.46Å; W145-H177 AromaticContact CD1-CG 3.67Å; W145-H177 HydrophobicContact CD2-CB 3.91Å; W145-H177 HydrophobicContact CG-CB 3.65Å; W145-H177 HydrophobicContact CZ2-CB 4.47Å; W145-H177 VanDerWaalsContact NE1-CB 3.26Å; W145-H177 AromaticContact NE1-CG 3.94Å; N175-H177 VanDerWaalsContact C-N 3.35Å; N175-H177 PolarHBondContact O-N 3.49Å; N175-H177 WeakPolarHBondContact OD1-CB 3.41Å; N175-H177 PolarHBondContact OD1-N 3.39Å; H177-Q180 PolarHBondContact O-N 3.5Å; H177-H181 VanDerWaalsContact O-CB 3.27Å; H177-H181 WeakPolarHBondContact O-CB 3.46Å; H177-H181 PolarHBondContact O-N 2.9Å
178	A	98.9	Very high	98.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-46.4	176.3	0	0	0	0	0	110.9	W145 I165 I168 L169 N175 H181 R182	W145-A178 HydrophobicContact CH2-CB 3.7Å; W145-A178 HydrophobicContact CZ2-CB 3.83Å; I165-A178 HydrophobicContact CG2-CB 4.26Å; I168-A178 HydrophobicContact CG2-CB 3.99Å; L169-A178 HydrophobicContact CD2-CB 3.8Å; L169-A178 HydrophobicContact CG-CB 4.13Å; N175-A178 HydrophobicContact CB-CB 3.9Å; N175-A178 PolarHBondContact O-N 2.95Å; N175-A178 PolarHBondContact OD1-N 3.36Å; A178-H181 PolarHBondContact O-N 3.29Å; A178-R182 WeakPolarHBondContact O-CB 3.21Å; A178-R182 PolarHBondContact O-N 3.4Å
179	W	98.9	Very high	98.6	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.045	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-44.9	174.4	-78.7	114.3	0	0	0	112.8	L169 A173 N175 H181 R182 Q183 F198 L202 S211 Q215	L169-W179 HydrophobicContact CD1-CD2 4.07Å; L169-W179 HydrophobicContact CD1-CE3 4.21Å; L169-W179 HydrophobicContact CD1-CH2 3.94Å; L169-W179 HydrophobicContact CD1-CZ2 3.79Å; L169-W179 HydrophobicContact CD1-CZ3 4.11Å; L169-W179 HydrophobicContact CD2-CD2 4.28Å; L169-W179 HydrophobicContact CD2-CG 4.28Å; L169-W179 HydrophobicContact CD2-CZ2 4.37Å; A173-W179 PolarHBondContact O-NE1 3.14Å; N175-W179 VanDerWaalsContact O-CD1 3.23Å; N175-W179 PolarHBondContact O-N 3.14Å; N175-W179 VanDerWaalsContact O-N 3.14Å; W179-H181 VanDerWaalsContact C-N 3.35Å; W179-H181 PolarHBondContact O-N 3.1Å; W179-R182 WeakPolarHBondContact O-CB 3.12Å; W179-R182 PolarHBondContact O-N 3.27Å; W179-Q183 WeakPolarHBondContact O-CG 3.23Å; W179-Q183 PolarHBondContact O-N 2.8Å; W179-F198 AromaticContact CH2-CE1 3.93Å; W179-F198 HydrophobicContact CH2-CE1 3.93Å; W179-F198 HydrophobicContact CZ3-CE1 4.23Å; W179-L202 HydrophobicContact CH2-CD1 3.5Å; W179-L202 HydrophobicContact CZ2-CD1 3.68Å; W179-S211 VanDerWaalsContact CD1-CB 3.46Å; W179-Q215 HydrophobicContact CE3-CB 4.15Å; W179-Q215 HydrophobicContact CE3-CG 4.1Å; W179-Q215 HydrophobicContact CH2-CB 4.14Å; W179-Q215 HydrophobicContact CH2-CG 4.25Å; W179-Q215 HydrophobicContact CZ3-CB 3.69Å; W179-Q215 HydrophobicContact CZ3-CG 3.49Å; W179-Q215 VanDerWaalsContact CZ3-CG 3.49Å
180	Q	98.9	Very high	98.6	Very high	108 Å²	108	58.1 Å²	58.1	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-44.7	177.3	-176.9	178.9	30.5	0	0	111.7	Y176 H177 Q183 W184	Y176-Q180 VanDerWaalsContact O-CB 3.3Å; Y176-Q180 WeakPolarHBondContact O-CB 3.4Å; Y176-Q180 PolarHBondContact O-N 3.2Å; H177-Q180 PolarHBondContact O-N 3.5Å; Q180-Q183 PolarHBondContact O-N 3.3Å; Q180-W184 PolarHBondContact O-N 3.4Å; Q180-W184 VanDerWaalsContact O-N 3.11Å
181	H	98.9	Very high	98.6	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-40.1	177.5	-167.4	70.1	0	0	0	111.3	W145 E161 H177 A178 W179 Q183 W184 V185	W145-H181 HydrophobicContact CE3-CB 3.59Å; W145-H181 AromaticContact CE3-CD2 3.91Å; W145-H181 AromaticContact CE3-CG 3.65Å; W145-H181 HydrophobicContact CZ3-CB 3.76Å; W145-H181 AromaticContact CZ3-CD2 3.75Å; W145-H181 AromaticContact CZ3-CG 3.87Å; E161-H181 IonicContact OE2-CD2 3.84Å; E161-H181 IonicContact OE2-CE1 2.82Å; E161-H181 IonicContact OE2-NE2 3.73Å; E161-H181 PolarHBondContact OE2-NE2 3.28Å; H177-H181 VanDerWaalsContact O-CB 3.27Å; H177-H181 WeakPolarHBondContact O-CB 3.46Å; H177-H181 PolarHBondContact O-N 2.9Å; A178-H181 PolarHBondContact O-N 3.29Å; W179-H181 VanDerWaalsContact C-N 3.35Å; W179-H181 PolarHBondContact O-N 3.1Å; H181-Q183 PolarHBondContact O-N 3.2Å; H181-W184 AromaticContact CE1-CE3 3.48Å; H181-W184 VanDerWaalsContact CE1-CE3 3.48Å; H181-W184 AromaticContact CE1-CZ3 3.36Å; H181-W184 WeakPolarHBondContact CE1-CZ3 3.5Å; H181-W184 AromaticContact ND1-CE3 3.6Å; H181-W184 AromaticContact ND1-CZ3 3.97Å; H181-W184 AromaticContact NE2-CZ3 3.97Å; H181-W184 PolarHBondContact O-N 3.31Å; H181-V185 WeakPolarHBondContact O-CG2 3.42Å; H181-V185 PolarHBondContact O-N 2.87Å
182	R	98.9	Very high	98.6	Very high	9 Å²	9	52.4 Å²	52.4	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-49.2	175.2	-153.4	179.2	174.3	79.6	2.9	112.1	L162 I165 A178 W179 W184 V185 I186 E195	L162-R182 HydrophobicContact CD2-CG 4.16Å; L162-R182 PolarHBondContact O-NH1 3.06Å; I165-R182 HydrophobicContact CD1-CB 3.98Å; I165-R182 HydrophobicContact CD1-CG 4.05Å; I165-R182 HydrophobicContact CG2-CB 3.93Å; I165-R182 HydrophobicContact CG2-CG 3.98Å; A178-R182 WeakPolarHBondContact O-CB 3.21Å; A178-R182 PolarHBondContact O-N 3.4Å; W179-R182 WeakPolarHBondContact O-CB 3.12Å; W179-R182 PolarHBondContact O-N 3.27Å; R182-W184 VanDerWaalsContact C-N 3.32Å; R182-W184 PolarHBondContact O-N 2.82Å; R182-V185 PolarHBondContact O-N 2.78Å; R182-I186 HydrophobicContact CG-CD1 3.9Å; R182-I186 WeakPolarHBondContact O-CB 3.44Å; R182-I186 VanDerWaalsContact O-CG1 3.24Å; R182-I186 WeakPolarHBondContact O-CG1 3.41Å; R182-I186 PolarHBondContact O-N 3.47Å; R182-E195 WeakPolarHBondContact CD-OE1 3.48Å; R182-E195 IonicContact CZ-OE1 2.69Å; R182-E195 IonicContact CZ-OE2 3.49Å; R182-E195 VanDerWaalsContact CZ-OE2 3.25Å; R182-E195 VanDerWaalsContact NE-CD 3.3Å; R182-E195 IonicContact NE-OE1 3.55Å; R182-E195 PolarHBondContact NE-OE1 2.81Å; R182-E195 IonicContact NE-OE2 3.43Å; R182-E195 PolarHBondContact NE-OE2 3.42Å; R182-E195 IonicContact NH2-OE1 3.47Å; R182-E195 IonicContact NH2-OE2 2.77Å; R182-E195 PolarHBondContact NH2-OE2 3.26Å
183	Q	98.9	Very high	98.6	Very high	41 Å²	41	56.5 Å²	56.5	19%	0.192	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-44.1	178.5	-73.1	-170.6	-7.2	0	0	111.6	W179 Q180 H181 I186 Q187 N214 F218	W179-Q183 WeakPolarHBondContact O-CG 3.23Å; W179-Q183 PolarHBondContact O-N 2.8Å; Q180-Q183 PolarHBondContact O-N 3.3Å; H181-Q183 PolarHBondContact O-N 3.2Å; Q183-I186 PolarHBondContact O-N 3.5Å; Q183-Q187 WeakPolarHBondContact O-CB 3.43Å; Q183-Q187 PolarHBondContact O-N 2.83Å; Q183-N214 PolarHBondContact NE2-ND2 2.88Å; Q183-F218 HydrophobicContact CB-CE1 4.03Å; Q183-F218 HydrophobicContact CB-CE2 3.83Å; Q183-F218 HydrophobicContact CB-CZ 3.51Å; Q183-F218 HydrophobicContact CG-CD1 3.97Å; Q183-F218 HydrophobicContact CG-CD2 4.07Å; Q183-F218 HydrophobicContact CG-CE1 3.74Å; Q183-F218 HydrophobicContact CG-CE2 3.81Å; Q183-F218 HydrophobicContact CG-CG 4.11Å; Q183-F218 HydrophobicContact CG-CZ 3.63Å
184	W	98.9	Very high	98.5	Very high	22 Å²	22	60.8 Å²	60.8	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-51.1	175.5	166.9	66.6	0	0	0	111.9	R149 V152 E153 Q180 H181 R182 I186 Q187 E188 Y189	R149-W184 HydrophobicContact CB-CE3 4.41Å; R149-W184 HydrophobicContact CB-CH2 4.36Å; R149-W184 HydrophobicContact CB-CZ3 4.14Å; R149-W184 HydrophobicContact CG-CD2 4.1Å; R149-W184 HydrophobicContact CG-CE3 4.02Å; R149-W184 HydrophobicContact CG-CH2 3.71Å; R149-W184 HydrophobicContact CG-CZ2 3.75Å; R149-W184 HydrophobicContact CG-CZ3 3.86Å; R149-W184 VanDerWaalsContact CZ-CD1 3.49Å; R149-W184 VanDerWaalsContact CZ-NE1 3.32Å; V152-W184 HydrophobicContact CB-CH2 3.91Å; V152-W184 HydrophobicContact CB-CZ3 4.3Å; V152-W184 HydrophobicContact CG1-CH2 3.68Å; V152-W184 HydrophobicContact CG1-CZ3 4.15Å; E153-W184 HydrophobicContact CG-CH2 4.05Å; E153-W184 HydrophobicContact CG-CZ2 3.61Å; Q180-W184 PolarHBondContact O-N 3.4Å; Q180-W184 VanDerWaalsContact O-N 3.11Å; H181-W184 AromaticContact CE1-CE3 3.48Å; H181-W184 VanDerWaalsContact CE1-CE3 3.48Å; H181-W184 AromaticContact CE1-CZ3 3.36Å; H181-W184 WeakPolarHBondContact CE1-CZ3 3.5Å; H181-W184 AromaticContact ND1-CE3 3.6Å; H181-W184 AromaticContact ND1-CZ3 3.97Å; H181-W184 AromaticContact NE2-CZ3 3.97Å; H181-W184 PolarHBondContact O-N 3.31Å; R182-W184 VanDerWaalsContact C-N 3.32Å; R182-W184 PolarHBondContact O-N 2.82Å; W184-I186 VanDerWaalsContact C-N 3.33Å; W184-I186 PolarHBondContact O-N 3.42Å; W184-Q187 PolarHBondContact O-N 2.72Å; W184-E188 HydrophobicContact CZ2-CG 4.4Å; W184-E188 VanDerWaalsContact O-CB 3.3Å; W184-E188 WeakPolarHBondContact O-CB 3.37Å; W184-E188 PolarHBondContact O-N 3.48Å; W184-Y189 HydrophobicContact CH2-CE2 4.03Å; W184-Y189 HydrophobicContact CZ2-CE2 4.16Å
185	V	98.9	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-47.1	179.4	169.3	0	0	0	0	111	P158 E161 L162 H181 R182 Q187 Y189 L191	P158-V185 HydrophobicContact CB-CG1 4.18Å; E161-V185 HydrophobicContact CB-CB 4.43Å; E161-V185 HydrophobicContact CB-CG1 3.76Å; E161-V185 HydrophobicContact CB-CG2 3.88Å; E161-V185 HydrophobicContact CG-CG1 4.26Å; E161-V185 HydrophobicContact CG-CG2 3.95Å; L162-V185 HydrophobicContact CD2-CG1 4.21Å; H181-V185 WeakPolarHBondContact O-CG2 3.42Å; H181-V185 PolarHBondContact O-N 2.87Å; R182-V185 PolarHBondContact O-N 2.78Å; V185-Q187 PolarHBondContact O-N 3.25Å; V185-Y189 HydrophobicContact CG1-CD2 4.43Å; V185-Y189 WeakPolarHBondContact O-CB 3.28Å; V185-Y189 WeakPolarHBondContact O-CD2 3.35Å; V185-Y189 PolarHBondContact O-N 2.9Å; V185-L191 HydrophobicContact CG1-CD1 3.99Å
186	I	98.9	Very high	98.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-44.5	-179	-70.3	168.8	0	0	0	111.1	L162 R182 Q183 W184 K190 L191 W192 E195 F218	L162-I186 HydrophobicContact CD2-CD1 4.23Å; L162-I186 HydrophobicContact CD2-CG1 3.83Å; R182-I186 HydrophobicContact CG-CD1 3.9Å; R182-I186 WeakPolarHBondContact O-CB 3.44Å; R182-I186 VanDerWaalsContact O-CG1 3.24Å; R182-I186 WeakPolarHBondContact O-CG1 3.41Å; R182-I186 PolarHBondContact O-N 3.47Å; Q183-I186 PolarHBondContact O-N 3.5Å; W184-I186 VanDerWaalsContact C-N 3.33Å; W184-I186 PolarHBondContact O-N 3.42Å; I186-K190 CarbonylContact O-C 3.19Å; I186-K190 WeakPolarHBondContact O-CA 3.3Å; I186-K190 PolarHBondContact O-N 3.26Å; I186-L191 PolarHBondContact O-N 2.87Å; I186-W192 HydrophobicContact CG2-CD2 3.56Å; I186-W192 HydrophobicContact CG2-CE3 3.3Å; I186-W192 HydrophobicContact CG2-CG 4.25Å; I186-W192 HydrophobicContact CG2-CH2 3.91Å; I186-W192 HydrophobicContact CG2-CZ2 4.15Å; I186-W192 HydrophobicContact CG2-CZ3 3.49Å; I186-W192 VanDerWaalsContact CG2-CZ3 3.49Å; I186-E195 HydrophobicContact CD1-CB 4.33Å; I186-E195 HydrophobicContact CD1-CG 3.67Å; I186-E195 WeakPolarHBondContact CD1-OE1 3.27Å; I186-F218 HydrophobicContact CG2-CE1 4.34Å
187	Q	98.7	Very high	98.6	Very high	86 Å²	86	54.2 Å²	54.2	40%	0.402	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-51.1	179.1	-83.9	173.3	-20.3	0	0	112.6	Q183 W184 V185 W192 F218 H222	Q183-Q187 WeakPolarHBondContact O-CB 3.43Å; Q183-Q187 PolarHBondContact O-N 2.83Å; W184-Q187 PolarHBondContact O-N 2.72Å; V185-Q187 PolarHBondContact O-N 3.25Å; Q187-W192 HydrophobicContact CB-CZ2 4.39Å; Q187-W192 HydrophobicContact CG-CH2 3.56Å; Q187-W192 HydrophobicContact CG-CZ2 3.75Å; Q187-F218 HydrophobicContact CG-CE2 4.19Å; Q187-F218 HydrophobicContact CG-CZ 3.66Å; Q187-H222 PolarHBondContact NE2-NE2 2.94Å
188	E	98.7	Very high	98.6	Very high	119 Å²	119	55.1 Å²	55.1	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-45.1	-174.3	-171.8	62.9	-147	0	0	111	W184	W184-E188 HydrophobicContact CZ2-CG 4.4Å; W184-E188 VanDerWaalsContact O-CB 3.3Å; W184-E188 WeakPolarHBondContact O-CB 3.37Å; W184-E188 PolarHBondContact O-N 3.48Å
189	Y	98.6	Very high	98.6	Very high	44 Å²	44	55.1 Å²	55.1	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-100.4	6.2	-174.9	-62.3	-81.5	0	0	0	113.9	V152 N156 P158 W184 V185 L191	V152-Y189 HydrophobicContact CG1-CE2 3.94Å; N156-Y189 WeakPolarHBondContact OD1-CE1 3.31Å; P158-Y189 HydrophobicContact CB-CD1 4.05Å; P158-Y189 HydrophobicContact CB-CD2 3.65Å; P158-Y189 HydrophobicContact CB-CE1 4.4Å; P158-Y189 HydrophobicContact CB-CE2 4.04Å; P158-Y189 HydrophobicContact CB-CG 3.66Å; P158-Y189 HydrophobicContact CG-CD1 3.58Å; P158-Y189 HydrophobicContact CG-CD2 4.11Å; P158-Y189 HydrophobicContact CG-CE1 4.12Å; P158-Y189 HydrophobicContact CG-CG 3.57Å; W184-Y189 HydrophobicContact CH2-CE2 4.03Å; W184-Y189 HydrophobicContact CZ2-CE2 4.16Å; V185-Y189 HydrophobicContact CG1-CD2 4.43Å; V185-Y189 WeakPolarHBondContact O-CB 3.28Å; V185-Y189 WeakPolarHBondContact O-CD2 3.35Å; V185-Y189 PolarHBondContact O-N 2.9Å; Y189-L191 VanDerWaalsContact C-N 3.27Å; Y189-L191 PolarHBondContact O-N 2.9Å
190	K	98.6	Very high	98.5	Very high	164 Å²	164	57.5 Å²	57.5	71%	0.713	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37	178.3	-56.1	170.6	-178.1	-88.1	0	113.6	I186 W192	I186-K190 CarbonylContact O-C 3.19Å; I186-K190 WeakPolarHBondContact O-CA 3.3Å; I186-K190 PolarHBondContact O-N 3.26Å; K190-W192 PolarHBondContact O-N 3.3Å; K190-W192 VanDerWaalsContact O-N 3.07Å
191	L	98.6	Very high	98.5	Very high	56 Å²	56	54.8 Å²	54.8	29%	0.293	27%	0.267	S	S	.	.			trans	-87	55.1	-177.2	-55.4	-179.6	0	0	0	112	P158 L162 V185 I186 Y189	P158-L191 HydrophobicContact CB-CD1 4.04Å; P158-L191 HydrophobicContact CG-CD1 4.16Å; L162-L191 HydrophobicContact CD1-CB 4.07Å; L162-L191 HydrophobicContact CD1-CD1 4.18Å; L162-L191 HydrophobicContact CG-CD1 4.32Å; V185-L191 HydrophobicContact CG1-CD1 3.99Å; I186-L191 PolarHBondContact O-N 2.87Å; Y189-L191 VanDerWaalsContact C-N 3.27Å; Y189-L191 PolarHBondContact O-N 2.9Å
192	W	98.6	Very high	98.5	Very high	51 Å²	51	54.9 Å²	54.9	19%	0.193	27%	0.268	C	S	.	.			trans	-79.3	-26.4	-175.5	-57.8	100.8	0	0	0	113.5	I186 Q187 K190 E195 F218 H222 T223	I186-W192 HydrophobicContact CG2-CD2 3.56Å; I186-W192 HydrophobicContact CG2-CE3 3.3Å; I186-W192 HydrophobicContact CG2-CG 4.25Å; I186-W192 HydrophobicContact CG2-CH2 3.91Å; I186-W192 HydrophobicContact CG2-CZ2 4.15Å; I186-W192 HydrophobicContact CG2-CZ3 3.49Å; I186-W192 VanDerWaalsContact CG2-CZ3 3.49Å; Q187-W192 HydrophobicContact CB-CZ2 4.39Å; Q187-W192 HydrophobicContact CG-CH2 3.56Å; Q187-W192 HydrophobicContact CG-CZ2 3.75Å; K190-W192 PolarHBondContact O-N 3.3Å; K190-W192 VanDerWaalsContact O-N 3.07Å; W192-E195 PolarHBondContact O-N 2.93Å; W192-F218 AromaticContact CH2-CE1 3.85Å; W192-F218 HydrophobicContact CH2-CE1 3.85Å; W192-F218 AromaticContact CH2-CZ 3.87Å; W192-F218 HydrophobicContact CH2-CZ 3.87Å; W192-F218 HydrophobicContact CZ3-CD1 4.06Å; W192-F218 AromaticContact CZ3-CE1 3.48Å; W192-F218 HydrophobicContact CZ3-CE1 3.48Å; W192-F218 VanDerWaalsContact CZ3-CE1 3.48Å; W192-F218 HydrophobicContact CZ3-CZ 4.01Å; W192-H222 HydrophobicContact CE3-CB 4.33Å; W192-H222 HydrophobicContact CH2-CB 3.28Å; W192-H222 AromaticContact CH2-CG 3.66Å; W192-H222 HydrophobicContact CZ2-CB 3.87Å; W192-H222 HydrophobicContact CZ3-CB 3.55Å; W192-T223 HydrophobicContact CB-CG2 3.9Å; W192-T223 HydrophobicContact CD2-CG2 4.03Å; W192-T223 HydrophobicContact CE3-CG2 4Å; W192-T223 HydrophobicContact CG-CG2 3.99Å
193	D	97.3	Very high	98.5	Very high	134 Å²	134	54.5 Å²	54.5	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	136.7	-177.7	-63	-18.5	0	0	0	110.6	E195	D193-E195 PolarHBondContact O-N 3.09Å; D193-E195 VanDerWaalsContact O-N 3.14Å
194	N	97.2	Very high	98.4	Very high	122 Å²	122	58.1 Å²	58.1	65%	0.652	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-4.1	-178.9	-36.8	-73.4	0	0	0	116.1	L196 D197 F198	N194-L196 VanDerWaalsContact C-N 3.3Å; N194-L196 PolarHBondContact O-N 2.99Å; N194-D197 PolarHBondContact O-N 3.42Å; N194-F198 PolarHBondContact O-N 2.91Å
195	E	98.8	Very high	98.3	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-67.2	-33.7	-179.8	-175.4	66.3	179.5	0	0	111.8	R182 I186 W192 D193 D197 F198 V199 Q215 V219	R182-E195 WeakPolarHBondContact CD-OE1 3.48Å; R182-E195 IonicContact CZ-OE1 2.69Å; R182-E195 IonicContact CZ-OE2 3.49Å; R182-E195 VanDerWaalsContact CZ-OE2 3.25Å; R182-E195 VanDerWaalsContact NE-CD 3.3Å; R182-E195 IonicContact NE-OE1 3.55Å; R182-E195 PolarHBondContact NE-OE1 2.81Å; R182-E195 IonicContact NE-OE2 3.43Å; R182-E195 PolarHBondContact NE-OE2 3.42Å; R182-E195 IonicContact NH2-OE1 3.47Å; R182-E195 IonicContact NH2-OE2 2.77Å; R182-E195 PolarHBondContact NH2-OE2 3.26Å; I186-E195 HydrophobicContact CD1-CB 4.33Å; I186-E195 HydrophobicContact CD1-CG 3.67Å; I186-E195 WeakPolarHBondContact CD1-OE1 3.27Å; W192-E195 PolarHBondContact O-N 2.93Å; D193-E195 PolarHBondContact O-N 3.09Å; D193-E195 VanDerWaalsContact O-N 3.14Å; E195-D197 VanDerWaalsContact C-N 3.32Å; E195-F198 PolarHBondContact O-N 2.91Å; E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.37Å; E195-V199 PolarHBondContact O-N 3.41Å; E195-Q215 PolarHBondContact OE1-NE2 2.95Å; E195-V219 HydrophobicContact CB-CG2 3.97Å; E195-V219 HydrophobicContact CG-CG2 3.34Å
196	L	98.3	Very high	98.3	Very high	36 Å²	36	67.3 Å²	67.3	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-37.6	174.9	-166.1	63.9	0	0	0	111.6	N194 V199 E200 R216 V219 I220	N194-L196 VanDerWaalsContact C-N 3.3Å; N194-L196 PolarHBondContact O-N 2.99Å; L196-V199 PolarHBondContact O-N 3.02Å; L196-E200 WeakPolarHBondContact O-CG 3.48Å; L196-E200 PolarHBondContact O-N 3.2Å; L196-R216 HydrophobicContact CD1-CG 3.89Å; L196-V219 HydrophobicContact CB-CG1 4.29Å; L196-V219 HydrophobicContact CD1-CG1 4.5Å; L196-I220 HydrophobicContact CD1-CD1 4.39Å; L196-I220 HydrophobicContact CD1-CG1 4.3Å
197	D	98.6	Very high	98.2	Very high	101 Å²	101	68.3 Å²	68.3	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-40.9	176.2	-60.3	-27.2	0	0	0	110.9	N194 E195 E200 S201	N194-D197 PolarHBondContact O-N 3.42Å; E195-D197 VanDerWaalsContact C-N 3.32Å; D197-E200 PolarHBondContact O-N 3.42Å; D197-S201 PolarHBondContact O-N 3.19Å
198	F	98.7	Very high	98.2	Very high	39 Å²	39	70.6 Å²	70.6	17%	0.171	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-42.3	173.4	177.9	-106.5	0	0	0	112.1	A166 L169 W179 N194 E195 E200 S201 L202	A166-F198 HydrophobicContact CB-CE2 3.85Å; A166-F198 HydrophobicContact CB-CZ 4.12Å; L169-F198 HydrophobicContact CD1-CE1 4.17Å; L169-F198 HydrophobicContact CD1-CZ 4.1Å; W179-F198 AromaticContact CH2-CE1 3.93Å; W179-F198 HydrophobicContact CH2-CE1 3.93Å; W179-F198 HydrophobicContact CZ3-CE1 4.23Å; N194-F198 PolarHBondContact O-N 2.91Å; E195-F198 PolarHBondContact O-N 2.91Å; F198-E200 VanDerWaalsContact C-N 3.33Å; F198-S201 PolarHBondContact O-N 3.37Å; F198-S201 PolarHBondContact O-OG 3.11Å; F198-L202 HydrophobicContact CD1-CD1 4.07Å; F198-L202 HydrophobicContact CE1-CD1 3.5Å; F198-L202 HydrophobicContact CE1-CG 4.42Å; F198-L202 HydrophobicContact CE2-CD1 4.33Å; F198-L202 HydrophobicContact CE2-CG 4.49Å; F198-L202 HydrophobicContact CZ-CD1 3.65Å; F198-L202 HydrophobicContact CZ-CG 4.27Å; F198-L202 WeakPolarHBondContact O-CG 3.38Å; F198-L202 PolarHBondContact O-N 3.21Å
199	V	98.7	Very high	98.2	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-41.9	174.6	168	0	0	0	0	111.3	E195 L196 L202 L203 A212 Q215 R216	E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.37Å; E195-V199 PolarHBondContact O-N 3.41Å; L196-V199 PolarHBondContact O-N 3.02Å; V199-L202 PolarHBondContact O-N 2.97Å; V199-L203 HydrophobicContact CG1-CD1 3.92Å; V199-L203 HydrophobicContact CG1-CG 4.42Å; V199-L203 WeakPolarHBondContact O-CG 3.45Å; V199-L203 PolarHBondContact O-N 3.01Å; V199-A212 WeakPolarHBondContact CG1-O 3.49Å; V199-Q215 HydrophobicContact CG2-CB 3.74Å; V199-Q215 HydrophobicContact CG2-CG 3.43Å; V199-Q215 VanDerWaalsContact CG2-CG 3.43Å; V199-R216 HydrophobicContact CG1-CB 3.67Å; V199-R216 HydrophobicContact CG1-CG 4.08Å
200	E	98.2	Very high	98.2	Very high	62 Å²	62	66.9 Å²	66.9	29%	0.29	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-42.2	178.4	-75.4	-177.8	-169.8	0	0	112	L196 D197 F198 L202 L203 D204 R216 Y238	L196-E200 WeakPolarHBondContact O-CG 3.48Å; L196-E200 PolarHBondContact O-N 3.2Å; D197-E200 PolarHBondContact O-N 3.42Å; F198-E200 VanDerWaalsContact C-N 3.33Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.95Å; E200-L203 PolarHBondContact O-N 3.13Å; E200-D204 PolarHBondContact O-N 3.09Å; E200-R216 IonicContact OE1-CZ 2.79Å; E200-R216 IonicContact OE1-NH1 3.48Å; E200-R216 PolarHBondContact OE1-NH1 3.46Å; E200-R216 IonicContact OE1-NH2 2.8Å; E200-R216 PolarHBondContact OE1-NH2 2.7Å; E200-R216 VanDerWaalsContact OE1-NH2 3.09Å; E200-Y238 HydrophobicContact CG-CE2 4.45Å
201	S	98.4	Very high	98.2	Very high	51 Å²	51	60.2 Å²	60.2	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-42.5	175.8	72.1	0	0	0	0	112	D197 F198 L203 D204 E205	D197-S201 PolarHBondContact O-N 3.19Å; F198-S201 PolarHBondContact O-N 3.37Å; F198-S201 PolarHBondContact O-OG 3.11Å; S201-L203 VanDerWaalsContact C-N 3.34Å; S201-L203 PolarHBondContact O-N 3.49Å; S201-D204 PolarHBondContact O-N 3.27Å; S201-E205 WeakPolarHBondContact O-CG 3.29Å; S201-E205 PolarHBondContact O-N 3.19Å
202	L	98.4	Very high	98.2	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-33.5	177.1	-68.3	177.2	0	0	0	113.1	W179 F198 V199 E200 E205 D206 A212	W179-L202 HydrophobicContact CH2-CD1 3.5Å; W179-L202 HydrophobicContact CZ2-CD1 3.68Å; F198-L202 HydrophobicContact CD1-CD1 4.07Å; F198-L202 HydrophobicContact CE1-CD1 3.5Å; F198-L202 HydrophobicContact CE1-CG 4.42Å; F198-L202 HydrophobicContact CE2-CD1 4.33Å; F198-L202 HydrophobicContact CE2-CG 4.49Å; F198-L202 HydrophobicContact CZ-CD1 3.65Å; F198-L202 HydrophobicContact CZ-CG 4.27Å; F198-L202 WeakPolarHBondContact O-CG 3.38Å; F198-L202 PolarHBondContact O-N 3.21Å; V199-L202 PolarHBondContact O-N 2.97Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.95Å; L202-E205 PolarHBondContact O-N 3.05Å; L202-D206 PolarHBondContact O-N 3.11Å; L202-A212 HydrophobicContact CB-CB 4.16Å
203	L	98.5	Very high	98.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-76.8	-25.4	176.2	-72.2	176.7	0	0	0	112.9	V199 E200 S201 D206 V207 A212 W213 Y238	V199-L203 HydrophobicContact CG1-CD1 3.92Å; V199-L203 HydrophobicContact CG1-CG 4.42Å; V199-L203 WeakPolarHBondContact O-CG 3.45Å; V199-L203 PolarHBondContact O-N 3.01Å; E200-L203 PolarHBondContact O-N 3.13Å; S201-L203 VanDerWaalsContact C-N 3.34Å; S201-L203 PolarHBondContact O-N 3.49Å; L203-D206 CarbonylContact O-C 3.27Å; L203-V207 VanDerWaalsContact O-CA 3.29Å; L203-V207 WeakPolarHBondContact O-CA 3.49Å; L203-V207 PolarHBondContact O-N 2.83Å; L203-V207 VanDerWaalsContact O-N 3.12Å; L203-A212 HydrophobicContact CD2-CB 3.72Å; L203-A212 HydrophobicContact CG-CB 3.92Å; L203-W213 HydrophobicContact CD1-CD2 4.22Å; L203-W213 HydrophobicContact CD1-CE3 4.39Å; L203-W213 HydrophobicContact CD1-CZ2 4.46Å; L203-W213 HydrophobicContact CD2-CD2 4.1Å; L203-W213 HydrophobicContact CD2-CG 4.01Å; L203-W213 HydrophobicContact CD2-CZ2 4.4Å; L203-Y238 HydrophobicContact CD1-CE1 4.19Å; L203-Y238 WeakPolarHBondContact CD1-OH 3.42Å
204	D	97.5	Very high	98.3	Very high	117 Å²	117	53 Å²	53	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-72.1	-34.3	169.2	-80.1	-20.1	0	0	0	111.6	E200 S201	E200-D204 PolarHBondContact O-N 3.09Å; S201-D204 PolarHBondContact O-N 3.27Å
205	E	97	Very high	98.4	Very high	157 Å²	157	47.2 Å²	47.2	73%	0.734	24%	0.24	S	C	*	.	H	α-helix	trans	-71.8	-52	172.8	-71.7	175.6	-161.5	0	0	112.8	S201 L202	S201-E205 WeakPolarHBondContact O-CG 3.29Å; S201-E205 PolarHBondContact O-N 3.19Å; L202-E205 PolarHBondContact O-N 3.05Å
206	D	98.1	Very high	98.4	Very high	59 Å²	59	47.2 Å²	47.2	32%	0.316	24%	0.24	S	C	.	.			trans	-139.4	96.4	175.5	-179.9	16.1	0	0	0	111.3	K174 L202 L203 R208 N209	K174-D206 IonicContact NZ-OD2 2.86Å; L202-D206 PolarHBondContact O-N 3.11Å; L203-D206 CarbonylContact O-C 3.27Å; D206-R208 PolarHBondContact O-N 2.89Å; D206-R208 WeakPolarHBondContact OD1-CA 3.13Å; D206-R208 VanDerWaalsContact OD1-CB 3.32Å; D206-R208 WeakPolarHBondContact OD1-CB 3.36Å; D206-R208 PolarHBondContact OD1-N 3.29Å; D206-N209 HydrophobicContact CB-CB 4.31Å; D206-N209 VanDerWaalsContact O-CB 3.26Å; D206-N209 WeakPolarHBondContact O-CB 3.43Å; D206-N209 PolarHBondContact O-N 3.38Å
207	V	97.9	Very high	98.4	Very high	21 Å²	21	49 Å²	49	13%	0.127	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.2	175.4	73	0	0	0	0	113.3	L203 N209 W213 Q242 A246 N249	L203-V207 VanDerWaalsContact O-CA 3.29Å; L203-V207 WeakPolarHBondContact O-CA 3.49Å; L203-V207 PolarHBondContact O-N 2.83Å; L203-V207 VanDerWaalsContact O-N 3.12Å; V207-N209 VanDerWaalsContact C-N 3.34Å; V207-W213 HydrophobicContact CG2-CZ2 4.13Å; V207-W213 PolarHBondContact O-NE1 3.31Å; V207-Q242 HydrophobicContact CG2-CB 3.92Å; V207-Q242 HydrophobicContact CG2-CG 4.26Å; V207-Q242 VanDerWaalsContact CG2-NE2 3.27Å; V207-A246 HydrophobicContact CG1-CB 3.97Å; V207-N249 PolarHBondContact O-ND2 3.04Å
208	R	98.4	Very high	98.4	Very high	133 Å²	133	44.9 Å²	44.9	50%	0.502	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5.2	176.5	-58	-175.7	173.9	75.2	-0.3	112.8	D206 N210 N249	D206-R208 PolarHBondContact O-N 2.89Å; D206-R208 WeakPolarHBondContact OD1-CA 3.13Å; D206-R208 VanDerWaalsContact OD1-CB 3.32Å; D206-R208 WeakPolarHBondContact OD1-CB 3.36Å; D206-R208 PolarHBondContact OD1-N 3.29Å; R208-N210 PolarHBondContact O-N 2.97Å; R208-N249 HydrophobicContact CG-CB 4.22Å
209	N	98.5	Very high	98.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.011	22%	0.217	C	C	.	.			trans	-72	93.3	174.7	-171.4	-11.6	0	0	0	110.7	A173 D206 V207 S211 A212 W213	A173-N209 PolarHBondContact O-ND2 3.38Å; A173-N209 VanDerWaalsContact O-ND2 3.1Å; D206-N209 HydrophobicContact CB-CB 4.31Å; D206-N209 VanDerWaalsContact O-CB 3.26Å; D206-N209 WeakPolarHBondContact O-CB 3.43Å; D206-N209 PolarHBondContact O-N 3.38Å; V207-N209 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact O-N 3.45Å; N209-S211 WeakPolarHBondContact OD1-CB 3.3Å; N209-S211 PolarHBondContact OD1-N 2.92Å; N209-A212 HydrophobicContact CB-CB 4.08Å; N209-A212 WeakPolarHBondContact O-CB 3.31Å; N209-A212 PolarHBondContact O-N 2.97Å; N209-A212 VanDerWaalsContact O-N 3.09Å; N209-A212 PolarHBondContact OD1-N 2.96Å; N209-W213 PolarHBondContact O-N 3.42Å
210	N	98.7	Very high	98.4	Very high	83 Å²	83	43.3 Å²	43.3	44%	0.444	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-29.7	179.3	-164	75.4	0	0	0	113.2	R208 A212 W213 N214 S251	R208-N210 PolarHBondContact O-N 2.97Å; N210-A212 VanDerWaalsContact C-N 3.34Å; N210-W213 PolarHBondContact O-N 3.17Å; N210-N214 WeakPolarHBondContact O-CB 3.36Å; N210-N214 PolarHBondContact O-N 3.11Å; N210-S251 WeakPolarHBondContact CB-OG 3.33Å; N210-S251 PolarHBondContact OD1-OG 3.1Å
211	S	98.8	Very high	98.4	Very high	25 Å²	25	42.6 Å²	42.6	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-37.2	176.6	-54.8	0	0	0	0	111.6	W179 N209 N214 Q215	W179-S211 VanDerWaalsContact CD1-CB 3.46Å; N209-S211 PolarHBondContact O-N 3.45Å; N209-S211 WeakPolarHBondContact OD1-CB 3.3Å; N209-S211 PolarHBondContact OD1-N 2.92Å; S211-N214 WeakPolarHBondContact O-CB 3.4Å; S211-N214 PolarHBondContact O-N 3.39Å; S211-Q215 WeakPolarHBondContact O-CB 3.41Å; S211-Q215 PolarHBondContact O-N 3.42Å
212	A	98.8	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-39.5	174	0	0	0	0	0	111.9	V199 L202 L203 N209 N210 Q215 R216	V199-A212 WeakPolarHBondContact CG1-O 3.49Å; L202-A212 HydrophobicContact CB-CB 4.16Å; L203-A212 HydrophobicContact CD2-CB 3.72Å; L203-A212 HydrophobicContact CG-CB 3.92Å; N209-A212 HydrophobicContact CB-CB 4.08Å; N209-A212 WeakPolarHBondContact O-CB 3.31Å; N209-A212 PolarHBondContact O-N 2.97Å; N209-A212 VanDerWaalsContact O-N 3.09Å; N209-A212 PolarHBondContact OD1-N 2.96Å; N210-A212 VanDerWaalsContact C-N 3.34Å; A212-Q215 PolarHBondContact O-N 2.83Å; A212-R216 PolarHBondContact O-N 3.27Å
213	W	98.8	Very high	98.3	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-42.5	171.6	-75.9	102.9	0	0	0	112.6	L203 V207 N209 N210 Q215 R216 H217 Y238 Q242 A252 Y255	L203-W213 HydrophobicContact CD1-CD2 4.22Å; L203-W213 HydrophobicContact CD1-CE3 4.39Å; L203-W213 HydrophobicContact CD1-CZ2 4.46Å; L203-W213 HydrophobicContact CD2-CD2 4.1Å; L203-W213 HydrophobicContact CD2-CG 4.01Å; L203-W213 HydrophobicContact CD2-CZ2 4.4Å; V207-W213 HydrophobicContact CG2-CZ2 4.13Å; V207-W213 PolarHBondContact O-NE1 3.31Å; N209-W213 PolarHBondContact O-N 3.42Å; N210-W213 PolarHBondContact O-N 3.17Å; W213-Q215 VanDerWaalsContact C-N 3.32Å; W213-Q215 PolarHBondContact O-N 3.34Å; W213-R216 WeakPolarHBondContact O-CB 3.19Å; W213-R216 PolarHBondContact O-N 3.42Å; W213-H217 PolarHBondContact O-N 3.24Å; W213-H217 VanDerWaalsContact O-N 3.1Å; W213-Y238 AromaticContact CH2-CD1 4Å; W213-Y238 HydrophobicContact CH2-CD1 4Å; W213-Y238 AromaticContact CH2-CE1 3.6Å; W213-Y238 HydrophobicContact CH2-CE1 3.6Å; W213-Y238 HydrophobicContact CZ2-CE1 4.47Å; W213-Y238 HydrophobicContact CZ3-CD1 4.05Å; W213-Y238 AromaticContact CZ3-CE1 3.79Å; W213-Y238 HydrophobicContact CZ3-CE1 3.79Å; W213-Q242 HydrophobicContact CH2-CB 3.95Å; W213-Q242 HydrophobicContact CH2-CG 3.85Å; W213-Q242 HydrophobicContact CZ2-CB 3.94Å; W213-Q242 HydrophobicContact CZ2-CG 4.01Å; W213-A252 HydrophobicContact CH2-CB 4.05Å; W213-A252 HydrophobicContact CZ2-CB 3.75Å; W213-Y255 HydrophobicContact CB-CD2 4.5Å; W213-Y255 AromaticContact CE3-CD1 3.95Å; W213-Y255 HydrophobicContact CE3-CD1 3.95Å; W213-Y255 AromaticContact CE3-CD2 3.73Å; W213-Y255 HydrophobicContact CE3-CD2 3.73Å; W213-Y255 HydrophobicContact CE3-CE1 4.47Å; W213-Y255 HydrophobicContact CE3-CE2 4.29Å; W213-Y255 AromaticContact CE3-CG 3.51Å; W213-Y255 HydrophobicContact CE3-CG 3.51Å; W213-Y255 AromaticContact CZ3-CD1 3.86Å; W213-Y255 HydrophobicContact CZ3-CD1 3.86Å; W213-Y255 HydrophobicContact CZ3-CD2 4.44Å; W213-Y255 HydrophobicContact CZ3-CE1 4.28Å; W213-Y255 AromaticContact CZ3-CG 3.92Å; W213-Y255 HydrophobicContact CZ3-CG 3.92Å
214	N	98.9	Very high	98.2	Very high	86 Å²	86	51 Å²	51	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-42.4	172.9	177.1	79	0	0	0	111.3	Q183 N210 S211 R216 H217 F218	Q183-N214 PolarHBondContact NE2-ND2 2.88Å; N210-N214 WeakPolarHBondContact O-CB 3.36Å; N210-N214 PolarHBondContact O-N 3.11Å; S211-N214 WeakPolarHBondContact O-CB 3.4Å; S211-N214 PolarHBondContact O-N 3.39Å; N214-R216 VanDerWaalsContact C-N 3.35Å; N214-R216 PolarHBondContact O-N 3.05Å; N214-H217 PolarHBondContact O-N 2.98Å; N214-F218 WeakPolarHBondContact O-CB 3.47Å; N214-F218 PolarHBondContact O-N 3.25Å
215	Q	98.9	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-38.5	176.3	-168.7	72.2	-7.5	0	0	111.9	W179 E195 V199 S211 A212 W213 H217 F218 V219	W179-Q215 HydrophobicContact CE3-CB 4.15Å; W179-Q215 HydrophobicContact CE3-CG 4.1Å; W179-Q215 HydrophobicContact CH2-CB 4.14Å; W179-Q215 HydrophobicContact CH2-CG 4.25Å; W179-Q215 HydrophobicContact CZ3-CB 3.69Å; W179-Q215 HydrophobicContact CZ3-CG 3.49Å; W179-Q215 VanDerWaalsContact CZ3-CG 3.49Å; E195-Q215 PolarHBondContact OE1-NE2 2.95Å; V199-Q215 HydrophobicContact CG2-CB 3.74Å; V199-Q215 HydrophobicContact CG2-CG 3.43Å; V199-Q215 VanDerWaalsContact CG2-CG 3.43Å; S211-Q215 WeakPolarHBondContact O-CB 3.41Å; S211-Q215 PolarHBondContact O-N 3.42Å; A212-Q215 PolarHBondContact O-N 2.83Å; W213-Q215 VanDerWaalsContact C-N 3.32Å; W213-Q215 PolarHBondContact O-N 3.34Å; Q215-H217 VanDerWaalsContact C-N 3.32Å; Q215-H217 PolarHBondContact O-N 3.5Å; Q215-F218 WeakPolarHBondContact O-CB 3.27Å; Q215-F218 PolarHBondContact O-N 2.88Å; Q215-V219 HydrophobicContact CG-CG2 4.36Å; Q215-V219 VanDerWaalsContact O-CG2 3.3Å; Q215-V219 WeakPolarHBondContact O-CG2 3.27Å; Q215-V219 PolarHBondContact O-N 2.98Å
216	R	98.7	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-49.2	173.1	-160.7	178.2	178.4	79.4	4.3	111.1	L196 V199 E200 A212 W213 N214 F218 V219 I220 E235 Y255	L196-R216 HydrophobicContact CD1-CG 3.89Å; V199-R216 HydrophobicContact CG1-CB 3.67Å; V199-R216 HydrophobicContact CG1-CG 4.08Å; E200-R216 IonicContact OE1-CZ 2.79Å; E200-R216 IonicContact OE1-NH1 3.48Å; E200-R216 PolarHBondContact OE1-NH1 3.46Å; E200-R216 IonicContact OE1-NH2 2.8Å; E200-R216 PolarHBondContact OE1-NH2 2.7Å; E200-R216 VanDerWaalsContact OE1-NH2 3.09Å; A212-R216 PolarHBondContact O-N 3.27Å; W213-R216 WeakPolarHBondContact O-CB 3.19Å; W213-R216 PolarHBondContact O-N 3.42Å; N214-R216 VanDerWaalsContact C-N 3.35Å; N214-R216 PolarHBondContact O-N 3.05Å; R216-F218 PolarHBondContact O-N 3.08Å; R216-V219 PolarHBondContact O-N 3.05Å; R216-I220 HydrophobicContact CG-CD1 4.09Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 3.19Å; R216-I220 VanDerWaalsContact O-N 3.09Å; R216-E235 IonicContact CZ-OE1 2.74Å; R216-E235 IonicContact CZ-OE2 3.1Å; R216-E235 IonicContact NE-OE1 2.78Å; R216-E235 IonicContact NE-OE2 3.47Å; R216-E235 PolarHBondContact NE-OE2 3.37Å; R216-E235 IonicContact NH2-OE1 3.54Å; R216-E235 PolarHBondContact NH2-OE1 2.94Å; R216-E235 IonicContact NH2-OE2 2.8Å; R216-E235 PolarHBondContact NH2-OE2 3.29Å; R216-Y255 HydrophobicContact CB-CE2 3.96Å; R216-Y255 HydrophobicContact CG-CE2 4.25Å
217	H	98.4	Very high	97.5	Very high	73 Å²	73	41 Å²	41	34%	0.338	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-45.3	178	-178.4	-85.3	0	0	0	110.9	W213 N214 Q215 V219 I220 S221 F226 Y255	W213-H217 PolarHBondContact O-N 3.24Å; W213-H217 VanDerWaalsContact O-N 3.1Å; N214-H217 PolarHBondContact O-N 2.98Å; Q215-H217 VanDerWaalsContact C-N 3.32Å; Q215-H217 PolarHBondContact O-N 3.5Å; H217-V219 PolarHBondContact O-N 3.22Å; H217-I220 PolarHBondContact O-N 3.45Å; H217-S221 VanDerWaalsContact O-CB 3.22Å; H217-S221 WeakPolarHBondContact O-CB 3.3Å; H217-S221 PolarHBondContact O-N 3.5Å; H217-S221 PolarHBondContact O-OG 2.98Å; H217-F226 AromaticContact CD2-CE2 3.65Å; H217-F226 AromaticContact CD2-CZ 3.88Å; H217-F226 AromaticContact NE2-CE2 3.68Å; H217-Y255 HydrophobicContact CB-CD2 4.23Å; H217-Y255 HydrophobicContact CB-CE2 3.77Å
218	F	98.8	Very high	97.3	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-55.7	-50.9	176.7	171.5	-95.4	0	0	0	112.3	Q183 I186 Q187 W192 N214 Q215 R216 S221 H222	Q183-F218 HydrophobicContact CB-CE1 4.03Å; Q183-F218 HydrophobicContact CB-CE2 3.83Å; Q183-F218 HydrophobicContact CB-CZ 3.51Å; Q183-F218 HydrophobicContact CG-CD1 3.97Å; Q183-F218 HydrophobicContact CG-CD2 4.07Å; Q183-F218 HydrophobicContact CG-CE1 3.74Å; Q183-F218 HydrophobicContact CG-CE2 3.81Å; Q183-F218 HydrophobicContact CG-CG 4.11Å; Q183-F218 HydrophobicContact CG-CZ 3.63Å; I186-F218 HydrophobicContact CG2-CE1 4.34Å; Q187-F218 HydrophobicContact CG-CE2 4.19Å; Q187-F218 HydrophobicContact CG-CZ 3.66Å; W192-F218 AromaticContact CH2-CE1 3.85Å; W192-F218 HydrophobicContact CH2-CE1 3.85Å; W192-F218 AromaticContact CH2-CZ 3.87Å; W192-F218 HydrophobicContact CH2-CZ 3.87Å; W192-F218 HydrophobicContact CZ3-CD1 4.06Å; W192-F218 AromaticContact CZ3-CE1 3.48Å; W192-F218 HydrophobicContact CZ3-CE1 3.48Å; W192-F218 VanDerWaalsContact CZ3-CE1 3.48Å; W192-F218 HydrophobicContact CZ3-CZ 4.01Å; N214-F218 WeakPolarHBondContact O-CB 3.47Å; N214-F218 PolarHBondContact O-N 3.25Å; Q215-F218 WeakPolarHBondContact O-CB 3.27Å; Q215-F218 PolarHBondContact O-N 2.88Å; R216-F218 PolarHBondContact O-N 3.08Å; F218-S221 WeakPolarHBondContact CA-OG 3.45Å; F218-S221 PolarHBondContact O-OG 3.44Å; F218-H222 AromaticContact CD2-CE1 3.7Å; F218-H222 AromaticContact CD2-ND1 3.84Å; F218-H222 AromaticContact CE2-CE1 3.85Å; F218-H222 PolarHBondContact O-N 3.17Å; F218-H222 PolarHBondContact O-ND1 2.9Å
219	V	98.8	Very high	97	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-49.7	-179.8	174.2	0	0	0	0	111	E195 L196 Q215 R216 H217 H222 T223	E195-V219 HydrophobicContact CB-CG2 3.97Å; E195-V219 HydrophobicContact CG-CG2 3.34Å; L196-V219 HydrophobicContact CB-CG1 4.29Å; L196-V219 HydrophobicContact CD1-CG1 4.5Å; Q215-V219 HydrophobicContact CG-CG2 4.36Å; Q215-V219 VanDerWaalsContact O-CG2 3.3Å; Q215-V219 WeakPolarHBondContact O-CG2 3.27Å; Q215-V219 PolarHBondContact O-N 2.98Å; R216-V219 PolarHBondContact O-N 3.05Å; H217-V219 PolarHBondContact O-N 3.22Å; V219-H222 PolarHBondContact O-N 3.24Å; V219-T223 HydrophobicContact CG1-CG2 4.49Å; V219-T223 WeakPolarHBondContact O-CB 3.5Å; V219-T223 WeakPolarHBondContact O-CG2 3.39Å; V219-T223 PolarHBondContact O-N 3.21Å; V219-T223 VanDerWaalsContact O-N 3.1Å; V219-T223 PolarHBondContact O-OG1 2.95Å
220	I	98.1	Very high	96.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-44.4	-176.1	-63.9	173.2	0	0	0	110.5	L196 R216 H217 H222 T223 T224 G225 F226 I231 E235 Y255	L196-I220 HydrophobicContact CD1-CD1 4.39Å; L196-I220 HydrophobicContact CD1-CG1 4.3Å; R216-I220 HydrophobicContact CG-CD1 4.09Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 3.19Å; R216-I220 VanDerWaalsContact O-N 3.09Å; H217-I220 PolarHBondContact O-N 3.45Å; I220-H222 PolarHBondContact O-N 3.29Å; I220-T223 PolarHBondContact O-N 3.47Å; I220-T224 PolarHBondContact O-N 3.31Å; I220-G225 VanDerWaalsContact O-CA 3.24Å; I220-G225 WeakPolarHBondContact O-CA 3.44Å; I220-G225 PolarHBondContact O-N 3.46Å; I220-F226 HydrophobicContact CB-CE1 4.27Å; I220-F226 HydrophobicContact CB-CE2 4.25Å; I220-F226 HydrophobicContact CB-CZ 3.8Å; I220-F226 HydrophobicContact CD1-CE1 4.46Å; I220-F226 HydrophobicContact CD1-CZ 4.47Å; I220-F226 HydrophobicContact CG2-CD1 4.02Å; I220-F226 HydrophobicContact CG2-CD2 4.35Å; I220-F226 HydrophobicContact CG2-CE1 3.58Å; I220-F226 HydrophobicContact CG2-CE2 3.93Å; I220-F226 HydrophobicContact CG2-CG 4.39Å; I220-F226 HydrophobicContact CG2-CZ 3.52Å; I220-I231 HydrophobicContact CG2-CG2 4.09Å; I220-E235 HydrophobicContact CD1-CG 3.82Å; I220-E235 VanDerWaalsContact CD1-OE2 3.27Å; I220-E235 WeakPolarHBondContact CD1-OE2 3.38Å; I220-Y255 WeakPolarHBondContact CD1-OH 3.39Å
221	S	97.2	Very high	96.7	Very high	47 Å²	47	42.1 Å²	42.1	33%	0.329	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-29.4	179.2	56.2	0	0	0	0	113.8	H217 F218	H217-S221 VanDerWaalsContact O-CB 3.22Å; H217-S221 WeakPolarHBondContact O-CB 3.3Å; H217-S221 PolarHBondContact O-N 3.5Å; H217-S221 PolarHBondContact O-OG 2.98Å; F218-S221 WeakPolarHBondContact CA-OG 3.45Å; F218-S221 PolarHBondContact O-OG 3.44Å
222	H	97.7	Very high	96.6	Very high	95 Å²	95	41.2 Å²	41.2	44%	0.44	25%	0.246	S	C	.	.	H	α-helix	trans	-96.7	-6.7	-179.9	-68.9	78.1	0	0	0	114.6	Q187 W192 F218 V219 I220	Q187-H222 PolarHBondContact NE2-NE2 2.94Å; W192-H222 HydrophobicContact CE3-CB 4.33Å; W192-H222 HydrophobicContact CH2-CB 3.28Å; W192-H222 AromaticContact CH2-CG 3.66Å; W192-H222 HydrophobicContact CZ2-CB 3.87Å; W192-H222 HydrophobicContact CZ3-CB 3.55Å; F218-H222 AromaticContact CD2-CE1 3.7Å; F218-H222 AromaticContact CD2-ND1 3.84Å; F218-H222 AromaticContact CE2-CE1 3.85Å; F218-H222 PolarHBondContact O-N 3.17Å; F218-H222 PolarHBondContact O-ND1 2.9Å; V219-H222 PolarHBondContact O-N 3.24Å; I220-H222 PolarHBondContact O-N 3.29Å
223	T	97.3	Very high	96.4	Very high	71 Å²	71	44.4 Å²	44.4	44%	0.436	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-86.7	179.7	54.2	0	0	0	0	111.3	W192 V219 I220	W192-T223 HydrophobicContact CB-CG2 3.9Å; W192-T223 HydrophobicContact CD2-CG2 4.03Å; W192-T223 HydrophobicContact CE3-CG2 4Å; W192-T223 HydrophobicContact CG-CG2 3.99Å; V219-T223 HydrophobicContact CG1-CG2 4.49Å; V219-T223 WeakPolarHBondContact O-CB 3.5Å; V219-T223 WeakPolarHBondContact O-CG2 3.39Å; V219-T223 PolarHBondContact O-N 3.21Å; V219-T223 VanDerWaalsContact O-N 3.1Å; V219-T223 PolarHBondContact O-OG1 2.95Å; I220-T223 PolarHBondContact O-N 3.47Å
224	T	96.3	Very high	96.3	Very high	77 Å²	77	49 Å²	49	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.9	-179	58.9	0	0	0	0	113	I220 I231	I220-T224 PolarHBondContact O-N 3.31Å; T224-I231 HydrophobicContact CG2-CD1 4.36Å
225	G	94.9	Very high	96.3	Very high	16 Å²	16	44.9 Å²	44.9	17%	0.165	26%	0.257	C	S	.	.			trans	62.7	-174.1	-164.8	0	0	0	0	0	112.4	I220	I220-G225 VanDerWaalsContact O-CA 3.24Å; I220-G225 WeakPolarHBondContact O-CA 3.44Å; I220-G225 PolarHBondContact O-N 3.46Å
226	F	94.2	Very high	96.2	Very high	20 Å²	20	45 Å²	45	9%	0.088	26%	0.257	C	S	.	.	S	Bend	trans	-104.3	18.1	175.5	-65.5	-79.7	0	0	0	112.4	H217 I220 V232 E235 M259 R263	H217-F226 AromaticContact CD2-CE2 3.65Å; H217-F226 AromaticContact CD2-CZ 3.88Å; H217-F226 AromaticContact NE2-CE2 3.68Å; I220-F226 HydrophobicContact CB-CE1 4.27Å; I220-F226 HydrophobicContact CB-CE2 4.25Å; I220-F226 HydrophobicContact CB-CZ 3.8Å; I220-F226 HydrophobicContact CD1-CE1 4.46Å; I220-F226 HydrophobicContact CD1-CZ 4.47Å; I220-F226 HydrophobicContact CG2-CD1 4.02Å; I220-F226 HydrophobicContact CG2-CD2 4.35Å; I220-F226 HydrophobicContact CG2-CE1 3.58Å; I220-F226 HydrophobicContact CG2-CE2 3.93Å; I220-F226 HydrophobicContact CG2-CG 4.39Å; I220-F226 HydrophobicContact CG2-CZ 3.52Å; F226-V232 HydrophobicContact CB-CG2 4.34Å; F226-V232 WeakPolarHBondContact O-CG2 3.22Å; F226-E235 HydrophobicContact CE1-CG 4.23Å; F226-M259 HydrophobicContact CD1-CB 4.27Å; F226-M259 HydrophobicContact CE1-CB 4.01Å; F226-M259 HydrophobicContact CE1-SD 4.4Å; F226-M259 HydrophobicContact CZ-CB 4.3Å; F226-R263 VanDerWaalsContact C-NH2 3.29Å; F226-R263 PolarHBondContact O-NH1 3.45Å; F226-R263 PolarHBondContact O-NH2 2.97Å
227	S	90.4	Very high	96.1	Very high	87 Å²	87	48.6 Å²	48.6	61%	0.608	27%	0.274	S	S	*	.			trans	-80.1	-30.1	-176.2	-67	0	0	0	0	114.5	P229 R263	S227-P229 WeakPolarHBondContact O-CD 3.4Å; S227-R263 VanDerWaalsContact CA-NH2 3.27Å; S227-R263 PolarHBondContact OG-NH2 3.48Å; S227-R263 VanDerWaalsContact OG-NH2 3.08Å
228	D	92.6	Very high	96.1	Very high	81 Å²	81	46.7 Å²	46.7	43%	0.433	26%	0.264	S	S	.	.	S	Bend	trans	-79.2	120.7	176.3	-176.9	-11.2	0	0	0	110.6	A230 I231 V232	D228-A230 PolarHBondContact O-N 2.82Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 2.75Å; D228-I231 HydrophobicContact CB-CB 4.29Å; D228-I231 HydrophobicContact CB-CG1 3.86Å; D228-I231 PolarHBondContact O-N 2.98Å; D228-V232 PolarHBondContact O-N 2.87Å; D228-V232 VanDerWaalsContact O-N 3.11Å
229	P	92.6	Very high	96.1	Very high	96 Å²	96	46 Å²	46	62%	0.623	26%	0.261	S	S	*	.	H	α-helix	trans	-54.1	-32.1	175.2	-26	35.3	0	0	0	114.1	S227 I231 V232 Q233	S227-P229 WeakPolarHBondContact O-CD 3.4Å; P229-I231 VanDerWaalsContact C-N 3.35Å; P229-V232 PolarHBondContact O-N 3.09Å; P229-Q233 WeakPolarHBondContact O-CB 3.49Å; P229-Q233 VanDerWaalsContact O-CG 3.29Å; P229-Q233 WeakPolarHBondContact O-CG 3.48Å; P229-Q233 PolarHBondContact O-N 3.36Å
230	A	95.3	Very high	96	Very high	63 Å²	63	45.8 Å²	45.8	52%	0.521	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-39.2	177.8	0	0	0	0	0	111.8	D228 R234	D228-A230 PolarHBondContact O-N 2.82Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 2.75Å; A230-R234 WeakPolarHBondContact O-CB 3.47Å; A230-R234 PolarHBondContact O-N 2.86Å
231	I	95.9	Very high	96	Very high	22 Å²	22	48.9 Å²	48.9	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-45.8	175.5	-60.3	-62.9	0	0	0	110.2	I220 T224 D228 P229 Q233 R234 E235	I220-I231 HydrophobicContact CG2-CG2 4.09Å; T224-I231 HydrophobicContact CG2-CD1 4.36Å; D228-I231 HydrophobicContact CB-CB 4.29Å; D228-I231 HydrophobicContact CB-CG1 3.86Å; D228-I231 PolarHBondContact O-N 2.98Å; P229-I231 VanDerWaalsContact C-N 3.35Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 3.03Å; I231-R234 WeakPolarHBondContact O-CB 3.1Å; I231-R234 PolarHBondContact O-N 3.1Å; I231-E235 HydrophobicContact CG2-CG 4.43Å; I231-E235 WeakPolarHBondContact O-CG 3.37Å; I231-E235 PolarHBondContact O-N 3.35Å
232	V	95.3	Very high	96	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-46.4	177.2	177.2	0	0	0	0	111	F226 D228 P229 R234 E235 I236 L260	F226-V232 HydrophobicContact CB-CG2 4.34Å; F226-V232 WeakPolarHBondContact O-CG2 3.22Å; D228-V232 PolarHBondContact O-N 2.87Å; D228-V232 VanDerWaalsContact O-N 3.11Å; P229-V232 PolarHBondContact O-N 3.09Å; V232-R234 PolarHBondContact O-N 3.42Å; V232-E235 PolarHBondContact O-N 2.99Å; V232-I236 HydrophobicContact CG1-CD1 3.85Å; V232-I236 HydrophobicContact CG1-CG1 4.32Å; V232-I236 VanDerWaalsContact O-CG1 3.31Å; V232-I236 WeakPolarHBondContact O-CG1 3.42Å; V232-I236 PolarHBondContact O-N 3.14Å; V232-L260 HydrophobicContact CG1-CD2 3.81Å
233	Q	95.4	Very high	96	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-38.6	178.8	-71.5	-60.6	-35.4	0	0	112.8	P229 I231 I236 Q237	P229-Q233 WeakPolarHBondContact O-CB 3.49Å; P229-Q233 VanDerWaalsContact O-CG 3.29Å; P229-Q233 WeakPolarHBondContact O-CG 3.48Å; P229-Q233 PolarHBondContact O-N 3.36Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 3.03Å; Q233-I236 PolarHBondContact O-N 3.05Å; Q233-Q237 WeakPolarHBondContact O-CB 3.3Å; Q233-Q237 PolarHBondContact O-N 3.15Å
234	R	97	Very high	96	Very high	99 Å²	99	43.4 Å²	43.4	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-57.9	-48.5	172.1	-176.5	-163.3	73.7	-163.8	0.7	110.9	A230 I231 V232 Q237 Y238	A230-R234 WeakPolarHBondContact O-CB 3.47Å; A230-R234 PolarHBondContact O-N 2.86Å; I231-R234 WeakPolarHBondContact O-CB 3.1Å; I231-R234 PolarHBondContact O-N 3.1Å; V232-R234 PolarHBondContact O-N 3.42Å; R234-Q237 PolarHBondContact O-N 3.11Å; R234-Y238 PolarHBondContact O-N 3.46Å
235	E	97.9	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-178.2	-67.9	-57.6	119.4	0	0	112.6	R216 I220 F226 I231 V232 Q237 Y238 C239 Y255 M259	R216-E235 IonicContact CZ-OE1 2.74Å; R216-E235 IonicContact CZ-OE2 3.1Å; R216-E235 IonicContact NE-OE1 2.78Å; R216-E235 IonicContact NE-OE2 3.47Å; R216-E235 PolarHBondContact NE-OE2 3.37Å; R216-E235 IonicContact NH2-OE1 3.54Å; R216-E235 PolarHBondContact NH2-OE1 2.94Å; R216-E235 IonicContact NH2-OE2 2.8Å; R216-E235 PolarHBondContact NH2-OE2 3.29Å; I220-E235 HydrophobicContact CD1-CG 3.82Å; I220-E235 VanDerWaalsContact CD1-OE2 3.27Å; I220-E235 WeakPolarHBondContact CD1-OE2 3.38Å; F226-E235 HydrophobicContact CE1-CG 4.23Å; I231-E235 HydrophobicContact CG2-CG 4.43Å; I231-E235 WeakPolarHBondContact O-CG 3.37Å; I231-E235 PolarHBondContact O-N 3.35Å; V232-E235 PolarHBondContact O-N 2.99Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.46Å; E235-Y238 PolarHBondContact O-N 2.7Å; E235-C239 PolarHBondContact O-N 3.4Å; E235-C239 PolarHBondContact O-SG 2.61Å; E235-Y255 PolarHBondContact OE2-OH 2.99Å; E235-M259 HydrophobicContact CB-CE 4.29Å; E235-M259 HydrophobicContact CB-SD 3.67Å
236	I	97.2	Very high	96.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-49.3	171.3	-71.4	171.4	0	0	0	109.2	V232 Q233 Y238 C239 L240 L256 M259 L260 Q268 L271	V232-I236 HydrophobicContact CG1-CD1 3.85Å; V232-I236 HydrophobicContact CG1-CG1 4.32Å; V232-I236 VanDerWaalsContact O-CG1 3.31Å; V232-I236 WeakPolarHBondContact O-CG1 3.42Å; V232-I236 PolarHBondContact O-N 3.14Å; Q233-I236 PolarHBondContact O-N 3.05Å; I236-Y238 VanDerWaalsContact C-N 3.33Å; I236-Y238 PolarHBondContact O-N 2.84Å; I236-C239 PolarHBondContact O-N 3.17Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.25Å; I236-L240 VanDerWaalsContact O-CG 3.28Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 3.06Å; I236-L256 HydrophobicContact CG1-CD1 4.19Å; I236-M259 HydrophobicContact CB-CE 4.19Å; I236-M259 HydrophobicContact CG1-CE 3.42Å; I236-M259 VanDerWaalsContact CG1-CE 3.42Å; I236-L260 HydrophobicContact CD1-CD1 4.34Å; I236-L260 HydrophobicContact CD1-CD2 4.27Å; I236-L260 HydrophobicContact CG1-CD1 4.42Å; I236-Q268 HydrophobicContact CD1-CB 4.44Å; I236-Q268 HydrophobicContact CD1-CG 4.32Å; I236-L271 HydrophobicContact CG2-CD1 4.03Å
237	Q	97.6	Very high	96.2	Very high	78 Å²	78	46.1 Å²	46.1	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-40.8	-179	-172.8	61	51.4	0	0	112	Q233 R234 E235 L240 N241	Q233-Q237 WeakPolarHBondContact O-CB 3.3Å; Q233-Q237 PolarHBondContact O-N 3.15Å; R234-Q237 PolarHBondContact O-N 3.11Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.46Å; Q237-L240 PolarHBondContact O-N 3.23Å; Q237-N241 PolarHBondContact NE2-OD1 2.84Å; Q237-N241 WeakPolarHBondContact O-CB 3.16Å; Q237-N241 PolarHBondContact O-N 3.38Å; Q237-N241 PolarHBondContact O-ND2 2.98Å; Q237-N241 PolarHBondContact O-OD1 3.47Å
238	Y	98.1	Very high	96.6	Very high	33 Å²	33	47.3 Å²	47.3	13%	0.129	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-50.5	174.2	-178.1	-93.6	0	0	0	111.1	E200 L203 W213 R234 E235 I236 L240 N241 Q242	E200-Y238 HydrophobicContact CG-CE2 4.45Å; L203-Y238 HydrophobicContact CD1-CE1 4.19Å; L203-Y238 WeakPolarHBondContact CD1-OH 3.42Å; W213-Y238 AromaticContact CH2-CD1 4Å; W213-Y238 HydrophobicContact CH2-CD1 4Å; W213-Y238 AromaticContact CH2-CE1 3.6Å; W213-Y238 HydrophobicContact CH2-CE1 3.6Å; W213-Y238 HydrophobicContact CZ2-CE1 4.47Å; W213-Y238 HydrophobicContact CZ3-CD1 4.05Å; W213-Y238 AromaticContact CZ3-CE1 3.79Å; W213-Y238 HydrophobicContact CZ3-CE1 3.79Å; R234-Y238 PolarHBondContact O-N 3.46Å; E235-Y238 PolarHBondContact O-N 2.7Å; I236-Y238 VanDerWaalsContact C-N 3.33Å; I236-Y238 PolarHBondContact O-N 2.84Å; Y238-L240 PolarHBondContact O-N 3.23Å; Y238-N241 WeakPolarHBondContact O-CB 3.36Å; Y238-N241 PolarHBondContact O-N 3.38Å; Y238-N241 VanDerWaalsContact O-N 3.15Å; Y238-Q242 HydrophobicContact CD1-CG 4.2Å; Y238-Q242 HydrophobicContact CE1-CG 3.8Å; Y238-Q242 WeakPolarHBondContact O-CG 3.37Å; Y238-Q242 PolarHBondContact O-N 3.35Å
239	C	97.8	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-46.3	178.8	-65.2	0	0	0	0	112.3	E235 I236 N241 Q242 I243 Y255 L256	E235-C239 PolarHBondContact O-N 3.4Å; E235-C239 PolarHBondContact O-SG 2.61Å; I236-C239 PolarHBondContact O-N 3.17Å; C239-N241 VanDerWaalsContact C-N 3.27Å; C239-N241 PolarHBondContact O-N 3.49Å; C239-Q242 PolarHBondContact O-N 2.78Å; C239-Q242 VanDerWaalsContact O-N 3.13Å; C239-I243 WeakPolarHBondContact O-CB 3.37Å; C239-I243 VanDerWaalsContact O-CG1 3.28Å; C239-I243 WeakPolarHBondContact O-CG1 3.35Å; C239-I243 PolarHBondContact O-N 3.09Å; C239-Y255 WeakPolarHBondContact SG-CD1 3.47Å; C239-Y255 VanDerWaalsContact SG-CE1 3.52Å; C239-L256 HydrophobicContact CB-CB 4.21Å; C239-L256 HydrophobicContact CB-CD1 4.37Å
240	L	97.4	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-36.1	177.7	-67.2	176.1	0	0	0	111.7	I236 Q237 Y238 R244 L256 K274 L278	I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.25Å; I236-L240 VanDerWaalsContact O-CG 3.28Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 3.06Å; Q237-L240 PolarHBondContact O-N 3.23Å; Y238-L240 PolarHBondContact O-N 3.23Å; L240-R244 VanDerWaalsContact O-CG 3.3Å; L240-R244 WeakPolarHBondContact O-CG 3.48Å; L240-R244 PolarHBondContact O-N 2.96Å; L240-L256 HydrophobicContact CD2-CD2 4.45Å; L240-K274 HydrophobicContact CD1-CB 4.22Å; L240-K274 HydrophobicContact CD1-CD 3.8Å; L240-L278 HydrophobicContact CD2-CD1 3.88Å
241	N	97.3	Very high	97.3	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-44.1	173.7	-69	-12.4	0	0	0	111.6	Q237 Y238 C239 R244 K245	Q237-N241 PolarHBondContact NE2-OD1 2.84Å; Q237-N241 WeakPolarHBondContact O-CB 3.16Å; Q237-N241 PolarHBondContact O-N 3.38Å; Q237-N241 PolarHBondContact O-ND2 2.98Å; Q237-N241 PolarHBondContact O-OD1 3.47Å; Y238-N241 WeakPolarHBondContact O-CB 3.36Å; Y238-N241 PolarHBondContact O-N 3.38Å; Y238-N241 VanDerWaalsContact O-N 3.15Å; C239-N241 VanDerWaalsContact C-N 3.27Å; C239-N241 PolarHBondContact O-N 3.49Å; N241-R244 PolarHBondContact O-N 2.93Å; N241-R244 PolarHBondContact OD1-NH1 3.14Å; N241-K245 WeakPolarHBondContact O-CG 3.46Å; N241-K245 PolarHBondContact O-N 2.71Å
242	Q	98	Very high	97.4	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-68.9	-36.7	177.9	-60.7	-57.1	92.1	0	0	112.2	V207 W213 Y238 C239 K245 A246	V207-Q242 HydrophobicContact CG2-CB 3.92Å; V207-Q242 HydrophobicContact CG2-CG 4.26Å; V207-Q242 VanDerWaalsContact CG2-NE2 3.27Å; W213-Q242 HydrophobicContact CH2-CB 3.95Å; W213-Q242 HydrophobicContact CH2-CG 3.85Å; W213-Q242 HydrophobicContact CZ2-CB 3.94Å; W213-Q242 HydrophobicContact CZ2-CG 4.01Å; Y238-Q242 HydrophobicContact CD1-CG 4.2Å; Y238-Q242 HydrophobicContact CE1-CG 3.8Å; Y238-Q242 WeakPolarHBondContact O-CG 3.37Å; Y238-Q242 PolarHBondContact O-N 3.35Å; C239-Q242 PolarHBondContact O-N 2.78Å; C239-Q242 VanDerWaalsContact O-N 3.13Å; Q242-K245 PolarHBondContact O-N 3.06Å; Q242-A246 PolarHBondContact O-N 3.31Å
243	I	98.1	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-42.6	173.5	-72.4	165.2	0	0	0	110.8	C239 K245 A246 P247 A252 W253 L256 L278	C239-I243 WeakPolarHBondContact O-CB 3.37Å; C239-I243 VanDerWaalsContact O-CG1 3.28Å; C239-I243 WeakPolarHBondContact O-CG1 3.35Å; C239-I243 PolarHBondContact O-N 3.09Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 3.18Å; I243-A246 CarbonylContact O-C 3.55Å; I243-A246 PolarHBondContact O-N 3.29Å; I243-P247 WeakPolarHBondContact O-CA 3.32Å; I243-P247 VanDerWaalsContact O-CD 3.28Å; I243-P247 WeakPolarHBondContact O-CD 3.35Å; I243-P247 WeakPolarHBondContact O-CG 3.4Å; I243-A252 HydrophobicContact CG1-CB 3.79Å; I243-W253 HydrophobicContact CB-CZ2 4.49Å; I243-W253 HydrophobicContact CD1-CD2 3.77Å; I243-W253 HydrophobicContact CD1-CE3 3.85Å; I243-W253 HydrophobicContact CD1-CG 4.36Å; I243-W253 HydrophobicContact CD1-CH2 4.15Å; I243-W253 HydrophobicContact CD1-CZ2 4.09Å; I243-W253 HydrophobicContact CD1-CZ3 4.03Å; I243-W253 HydrophobicContact CG1-CD2 4.27Å; I243-W253 HydrophobicContact CG1-CZ2 4.35Å; I243-W253 HydrophobicContact CG2-CH2 4.01Å; I243-W253 HydrophobicContact CG2-CZ2 3.35Å; I243-L256 HydrophobicContact CD1-CD2 3.98Å; I243-L278 HydrophobicContact CG2-CD1 4.25Å
244	R	96.8	Very high	97.7	Very high	93 Å²	93	39.6 Å²	39.6	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-38.6	175.1	-74.1	176.5	-167.5	108.6	2.2	112.2	L240 N241 L278	L240-R244 VanDerWaalsContact O-CG 3.3Å; L240-R244 WeakPolarHBondContact O-CG 3.48Å; L240-R244 PolarHBondContact O-N 2.96Å; N241-R244 PolarHBondContact O-N 2.93Å; N241-R244 PolarHBondContact OD1-NH1 3.14Å; R244-L278 HydrophobicContact CG-CD2 3.7Å
245	K	95.6	Very high	97.8	Very high	141 Å²	141	35.6 Å²	35.6	61%	0.613	17%	0.167	S	C	*	.	H	α-helix	trans	-68.4	-38.7	175.7	-65.7	174.1	-176	171.2	0	112.1	N241 Q242 I243	N241-K245 WeakPolarHBondContact O-CG 3.46Å; N241-K245 PolarHBondContact O-N 2.71Å; Q242-K245 PolarHBondContact O-N 3.06Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 3.18Å
246	A	97.3	Very high	97.8	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	17%	0.167	C	C	.	.			trans	-141.9	81.2	-177.4	0	0	0	0	0	112.3	V207 Q242 I243 H248 N249	V207-A246 HydrophobicContact CG1-CB 3.97Å; Q242-A246 PolarHBondContact O-N 3.31Å; I243-A246 CarbonylContact O-C 3.55Å; I243-A246 PolarHBondContact O-N 3.29Å; A246-H248 PolarHBondContact O-N 2.87Å; A246-H248 VanDerWaalsContact O-N 3.09Å; A246-N249 HydrophobicContact CB-CB 3.88Å; A246-N249 VanDerWaalsContact O-CB 3.22Å; A246-N249 WeakPolarHBondContact O-CB 3.43Å; A246-N249 PolarHBondContact O-N 3.21Å
247	P	97.4	Very high	97.8	Very high	21 Å²	21	38.2 Å²	38.2	14%	0.136	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.6	-172.6	-27.5	35.1	0	0	0	115.9	I243 W253 H282 S284	I243-P247 WeakPolarHBondContact O-CA 3.32Å; I243-P247 VanDerWaalsContact O-CD 3.28Å; I243-P247 WeakPolarHBondContact O-CD 3.35Å; I243-P247 WeakPolarHBondContact O-CG 3.4Å; P247-W253 PolarHBondContact O-NE1 3.42Å; P247-H282 HydrophobicContact CB-CB 3.86Å; P247-H282 HydrophobicContact CG-CB 3.73Å; P247-H282 WeakPolarHBondContact CG-CD2 3.46Å; P247-S284 PolarHBondContact O-OG 3.21Å; P247-S284 VanDerWaalsContact O-OG 3.05Å
248	H	97.5	Very high	97.7	Very high	111 Å²	111	35.7 Å²	35.7	51%	0.514	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.1	-179.3	-61.6	85.4	0	0	0	112	A246 Y286	A246-H248 PolarHBondContact O-N 2.87Å; A246-H248 VanDerWaalsContact O-N 3.09Å; H248-Y286 HydrophobicContact CB-CE2 4.37Å; H248-Y286 VanDerWaalsContact O-CE2 3.31Å; H248-Y286 WeakPolarHBondContact O-CE2 3.44Å
249	N	98	Very high	97.5	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.027	17%	0.169	C	C	.	.			trans	-85.5	105.6	172	176.1	23.1	0	0	0	110.2	V207 R208 A246 S251 W253	V207-N249 PolarHBondContact O-ND2 3.04Å; R208-N249 HydrophobicContact CG-CB 4.22Å; A246-N249 HydrophobicContact CB-CB 3.88Å; A246-N249 VanDerWaalsContact O-CB 3.22Å; A246-N249 WeakPolarHBondContact O-CB 3.43Å; A246-N249 PolarHBondContact O-N 3.21Å; N249-S251 VanDerWaalsContact C-N 3.3Å; N249-S251 PolarHBondContact O-N 3.11Å; N249-S251 PolarHBondContact OD1-N 3.01Å; N249-W253 VanDerWaalsContact O-CD1 3.3Å
250	E	98.4	Very high	97.3	Very high	73 Å²	73	34.6 Å²	34.6	34%	0.341	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-35.7	-179.5	-167.6	-179.8	159.7	0	0	112.9	A252 W253 N254 Y286	E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.07Å; E250-W253 PolarHBondContact O-N 3.33Å; E250-W253 VanDerWaalsContact O-N 3.12Å; E250-N254 WeakPolarHBondContact CG-ND2 3.36Å; E250-N254 WeakPolarHBondContact O-CB 3.34Å; E250-N254 PolarHBondContact O-N 3.21Å; E250-N254 PolarHBondContact OE1-ND2 3.25Å; E250-Y286 HydrophobicContact CB-CD1 4.1Å; E250-Y286 HydrophobicContact CB-CE1 3.66Å; E250-Y286 HydrophobicContact CB-CE2 4.48Å; E250-Y286 HydrophobicContact CG-CD1 3.77Å; E250-Y286 HydrophobicContact CG-CE1 3.53Å
251	S	98.6	Very high	96.9	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-38.4	-175.6	-66.2	0	0	0	0	113.6	N210 N249 N254 Y255	N210-S251 WeakPolarHBondContact CB-OG 3.33Å; N210-S251 PolarHBondContact OD1-OG 3.1Å; N249-S251 VanDerWaalsContact C-N 3.3Å; N249-S251 PolarHBondContact O-N 3.11Å; N249-S251 PolarHBondContact OD1-N 3.01Å; S251-N254 PolarHBondContact O-N 2.95Å; S251-Y255 WeakPolarHBondContact O-CB 3.45Å; S251-Y255 PolarHBondContact O-N 2.77Å
252	A	98.4	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.9	-37.2	178.2	0	0	0	0	0	112	W213 I243 E250 L256	W213-A252 HydrophobicContact CH2-CB 4.05Å; W213-A252 HydrophobicContact CZ2-CB 3.75Å; I243-A252 HydrophobicContact CG1-CB 3.79Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.07Å; A252-L256 WeakPolarHBondContact O-CB 3.43Å; A252-L256 PolarHBondContact O-N 2.83Å
253	W	98.6	Very high	95.7	Very high	6 Å²	6	48.2 Å²	48.2	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-43.8	174.5	-70.8	107	0	0	0	111.7	I243 P247 N249 E250 Y255 L256 K257 V275 Y286 L287 F290	I243-W253 HydrophobicContact CB-CZ2 4.49Å; I243-W253 HydrophobicContact CD1-CD2 3.77Å; I243-W253 HydrophobicContact CD1-CE3 3.85Å; I243-W253 HydrophobicContact CD1-CG 4.36Å; I243-W253 HydrophobicContact CD1-CH2 4.15Å; I243-W253 HydrophobicContact CD1-CZ2 4.09Å; I243-W253 HydrophobicContact CD1-CZ3 4.03Å; I243-W253 HydrophobicContact CG1-CD2 4.27Å; I243-W253 HydrophobicContact CG1-CZ2 4.35Å; I243-W253 HydrophobicContact CG2-CH2 4.01Å; I243-W253 HydrophobicContact CG2-CZ2 3.35Å; P247-W253 PolarHBondContact O-NE1 3.42Å; N249-W253 VanDerWaalsContact O-CD1 3.3Å; E250-W253 PolarHBondContact O-N 3.33Å; E250-W253 VanDerWaalsContact O-N 3.12Å; W253-Y255 VanDerWaalsContact C-N 3.34Å; W253-Y255 PolarHBondContact O-N 3.49Å; W253-L256 HydrophobicContact CE3-CD2 4.35Å; W253-L256 HydrophobicContact CZ3-CD2 4.39Å; W253-L256 PolarHBondContact O-N 2.94Å; W253-K257 PolarHBondContact O-N 2.92Å; W253-V275 HydrophobicContact CH2-CG1 4.31Å; W253-V275 HydrophobicContact CZ3-CG1 4.34Å; W253-Y286 AromaticContact CD1-CG 3.97Å; W253-L287 HydrophobicContact CH2-CB 3.71Å; W253-L287 HydrophobicContact CH2-CD1 3.92Å; W253-L287 HydrophobicContact CH2-CG 3.75Å; W253-L287 HydrophobicContact CZ2-CB 3.64Å; W253-L287 HydrophobicContact CZ2-CD1 4.12Å; W253-L287 HydrophobicContact CZ2-CG 4.11Å; W253-F290 HydrophobicContact CE3-CB 3.83Å; W253-F290 HydrophobicContact CE3-CD2 4.02Å; W253-F290 AromaticContact CE3-CG 3.89Å; W253-F290 HydrophobicContact CE3-CG 3.89Å; W253-F290 HydrophobicContact CZ3-CB 3.85Å; W253-F290 HydrophobicContact CZ3-CD1 4.18Å; W253-F290 HydrophobicContact CZ3-CD2 4.39Å; W253-F290 AromaticContact CZ3-CG 3.87Å; W253-F290 HydrophobicContact CZ3-CG 3.87Å
254	N	98.6	Very high	95.2	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-40.1	177.4	-71.8	-4.1	0	0	0	111.5	E250 S251 G258	E250-N254 WeakPolarHBondContact CG-ND2 3.36Å; E250-N254 WeakPolarHBondContact O-CB 3.34Å; E250-N254 PolarHBondContact O-N 3.21Å; E250-N254 PolarHBondContact OE1-ND2 3.25Å; S251-N254 PolarHBondContact O-N 2.95Å; N254-G258 PolarHBondContact O-N 3.37Å
255	Y	98.6	Very high	94.9	Very high	16 Å²	16	44.8 Å²	44.8	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-46.3	174.5	-179	-84.5	0	0	0	111.8	W213 R216 H217 I220 E235 C239 S251 W253 K257 G258 M259	W213-Y255 HydrophobicContact CB-CD2 4.5Å; W213-Y255 AromaticContact CE3-CD1 3.95Å; W213-Y255 HydrophobicContact CE3-CD1 3.95Å; W213-Y255 AromaticContact CE3-CD2 3.73Å; W213-Y255 HydrophobicContact CE3-CD2 3.73Å; W213-Y255 HydrophobicContact CE3-CE1 4.47Å; W213-Y255 HydrophobicContact CE3-CE2 4.29Å; W213-Y255 AromaticContact CE3-CG 3.51Å; W213-Y255 HydrophobicContact CE3-CG 3.51Å; W213-Y255 AromaticContact CZ3-CD1 3.86Å; W213-Y255 HydrophobicContact CZ3-CD1 3.86Å; W213-Y255 HydrophobicContact CZ3-CD2 4.44Å; W213-Y255 HydrophobicContact CZ3-CE1 4.28Å; W213-Y255 AromaticContact CZ3-CG 3.92Å; W213-Y255 HydrophobicContact CZ3-CG 3.92Å; R216-Y255 HydrophobicContact CB-CE2 3.96Å; R216-Y255 HydrophobicContact CG-CE2 4.25Å; H217-Y255 HydrophobicContact CB-CD2 4.23Å; H217-Y255 HydrophobicContact CB-CE2 3.77Å; I220-Y255 WeakPolarHBondContact CD1-OH 3.39Å; E235-Y255 PolarHBondContact OE2-OH 2.99Å; C239-Y255 WeakPolarHBondContact SG-CD1 3.47Å; C239-Y255 VanDerWaalsContact SG-CE1 3.52Å; S251-Y255 WeakPolarHBondContact O-CB 3.45Å; S251-Y255 PolarHBondContact O-N 2.77Å; W253-Y255 VanDerWaalsContact C-N 3.34Å; W253-Y255 PolarHBondContact O-N 3.49Å; Y255-K257 VanDerWaalsContact C-N 3.32Å; Y255-K257 PolarHBondContact O-N 2.82Å; Y255-G258 PolarHBondContact O-N 2.73Å; Y255-M259 HydrophobicContact CD1-SD 4.25Å; Y255-M259 HydrophobicContact CE1-SD 3.8Å; Y255-M259 WeakPolarHBondContact O-CG 3.44Å; Y255-M259 PolarHBondContact O-N 3.04Å
256	L	97.8	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-43.1	177.1	176.3	60.1	0	0	0	111.7	I236 C239 L240 I243 A252 W253 M259 L260 F290	I236-L256 HydrophobicContact CG1-CD1 4.19Å; C239-L256 HydrophobicContact CB-CB 4.21Å; C239-L256 HydrophobicContact CB-CD1 4.37Å; L240-L256 HydrophobicContact CD2-CD2 4.45Å; I243-L256 HydrophobicContact CD1-CD2 3.98Å; A252-L256 WeakPolarHBondContact O-CB 3.43Å; A252-L256 PolarHBondContact O-N 2.83Å; W253-L256 HydrophobicContact CE3-CD2 4.35Å; W253-L256 HydrophobicContact CZ3-CD2 4.39Å; W253-L256 PolarHBondContact O-N 2.94Å; L256-M259 HydrophobicContact CD1-CE 3.31Å; L256-M259 HydrophobicContact CG-CE 4.49Å; L256-M259 WeakPolarHBondContact O-CG 3.46Å; L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-F290 HydrophobicContact CB-CE2 4.31Å; L256-F290 HydrophobicContact CD1-CZ 4.5Å; L256-F290 HydrophobicContact CD2-CD2 4.5Å; L256-F290 HydrophobicContact CD2-CE1 4.31Å; L256-F290 HydrophobicContact CD2-CE2 3.87Å; L256-F290 HydrophobicContact CD2-CZ 3.75Å; L256-F290 HydrophobicContact CG-CE2 3.65Å; L256-F290 HydrophobicContact CG-CZ 3.7Å
257	K	97.3	Very high	93.8	Very high	57 Å²	57	43.1 Å²	43.1	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-51.7	173.7	-179	175.1	-176.5	164	0	111.3	W253 Y255 M259 L260 Q261 F290 D293	W253-K257 PolarHBondContact O-N 2.92Å; Y255-K257 VanDerWaalsContact C-N 3.32Å; Y255-K257 PolarHBondContact O-N 2.82Å; K257-M259 VanDerWaalsContact C-N 3.32Å; K257-M259 PolarHBondContact O-N 3.45Å; K257-L260 PolarHBondContact O-N 3.08Å; K257-Q261 WeakPolarHBondContact O-CB 3.32Å; K257-Q261 PolarHBondContact O-N 2.91Å; K257-F290 HydrophobicContact CB-CD2 4.36Å; K257-F290 HydrophobicContact CB-CE2 4.15Å; K257-D293 WeakPolarHBondContact CD-OD2 3.46Å; K257-D293 VanDerWaalsContact CE-OD2 3.28Å; K257-D293 WeakPolarHBondContact CE-OD2 3.35Å; K257-D293 IonicContact NZ-OD1 3.41Å; K257-D293 PolarHBondContact NZ-OD1 2.89Å; K257-D293 IonicContact NZ-OD2 2.84Å; K257-D293 PolarHBondContact NZ-OD2 2.98Å
258	G	96.3	Very high	93.4	Very high	24 Å²	24	43.7 Å²	43.7	25%	0.247	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-38.5	-174.2	0	0	0	0	0	113.7	N254 Y255 L260	N254-G258 PolarHBondContact O-N 3.37Å; Y255-G258 PolarHBondContact O-N 2.73Å; G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 2.92Å
259	M	94.6	Very high	92.9	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.049	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.4	178.9	74.1	174.1	179.8	0	0	114.1	F226 E235 I236 Y255 L256 K257	F226-M259 HydrophobicContact CD1-CB 4.27Å; F226-M259 HydrophobicContact CE1-CB 4.01Å; F226-M259 HydrophobicContact CE1-SD 4.4Å; F226-M259 HydrophobicContact CZ-CB 4.3Å; E235-M259 HydrophobicContact CB-CE 4.29Å; E235-M259 HydrophobicContact CB-SD 3.67Å; I236-M259 HydrophobicContact CB-CE 4.19Å; I236-M259 HydrophobicContact CG1-CE 3.42Å; I236-M259 VanDerWaalsContact CG1-CE 3.42Å; Y255-M259 HydrophobicContact CD1-SD 4.25Å; Y255-M259 HydrophobicContact CE1-SD 3.8Å; Y255-M259 WeakPolarHBondContact O-CG 3.44Å; Y255-M259 PolarHBondContact O-N 3.04Å; L256-M259 HydrophobicContact CD1-CE 3.31Å; L256-M259 HydrophobicContact CG-CE 4.49Å; L256-M259 WeakPolarHBondContact O-CG 3.46Å; K257-M259 VanDerWaalsContact C-N 3.32Å; K257-M259 PolarHBondContact O-N 3.45Å
260	L	93.6	Very high	92.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-27.8	-173.4	-63.7	-177.4	0	0	0	114.2	V232 I236 L256 K257 G258 D262 R263 G264 L265 Q268 L271	V232-L260 HydrophobicContact CG1-CD2 3.81Å; I236-L260 HydrophobicContact CD1-CD1 4.34Å; I236-L260 HydrophobicContact CD1-CD2 4.27Å; I236-L260 HydrophobicContact CG1-CD1 4.42Å; L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; K257-L260 PolarHBondContact O-N 3.08Å; G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 2.92Å; L260-D262 VanDerWaalsContact C-N 3.26Å; L260-D262 PolarHBondContact O-N 3.28Å; L260-D262 VanDerWaalsContact O-N 3.14Å; L260-R263 PolarHBondContact O-N 3.48Å; L260-G264 PolarHBondContact O-N 3.04Å; L260-L265 HydrophobicContact CB-CD2 3.72Å; L260-L265 HydrophobicContact CD1-CD2 4.1Å; L260-Q268 HydrophobicContact CD1-CG 4.03Å; L260-Q268 HydrophobicContact CD2-CG 3.78Å; L260-Q268 HydrophobicContact CG-CG 4.43Å; L260-L271 HydrophobicContact CD1-CD2 3.39Å
261	Q	89.3	Confident	92.4	Very high	101 Å²	101	41.1 Å²	41.1	47%	0.472	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55.7	-36.3	-169.2	66.2	-174.2	10.6	0	0	113.8	K257 R263 G264	K257-Q261 WeakPolarHBondContact O-CB 3.32Å; K257-Q261 PolarHBondContact O-N 2.91Å; Q261-R263 PolarHBondContact O-N 3.11Å; Q261-G264 PolarHBondContact O-N 2.82Å
262	D	85.4	Confident	92.2	Very high	146 Å²	146	43 Å²	43	78%	0.781	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-73	-12.7	180	-63.7	-16.2	0	0	0	113.3	L260	L260-D262 VanDerWaalsContact C-N 3.26Å; L260-D262 PolarHBondContact O-N 3.28Å; L260-D262 VanDerWaalsContact O-N 3.14Å
263	R	84.8	Confident	92	Very high	111 Å²	111	48.1 Å²	48.1	42%	0.419	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-113.7	1.3	-178.1	-59.9	-178.9	-179.7	-128	-6.8	113	F226 S227 L260 Q261 S267	F226-R263 VanDerWaalsContact C-NH2 3.29Å; F226-R263 PolarHBondContact O-NH1 3.45Å; F226-R263 PolarHBondContact O-NH2 2.97Å; S227-R263 VanDerWaalsContact CA-NH2 3.27Å; S227-R263 PolarHBondContact OG-NH2 3.48Å; S227-R263 VanDerWaalsContact OG-NH2 3.08Å; L260-R263 PolarHBondContact O-N 3.48Å; Q261-R263 PolarHBondContact O-N 3.11Å; R263-S267 PolarHBondContact O-OG 3.45Å
264	G	86.9	Confident	91.8	Very high	10 Å²	10	50.6 Å²	50.6	10%	0.103	28%	0.277	C	S	.	.			trans	80.6	126.8	-171.1	0	0	0	0	0	112.3	L260 Q261 S267 D297	L260-G264 PolarHBondContact O-N 3.04Å; Q261-G264 PolarHBondContact O-N 2.82Å; G264-S267 PolarHBondContact O-N 3.44Å; G264-S267 PolarHBondContact O-OG 2.88Å; G264-D297 WeakPolarHBondContact CA-OD2 3.49Å
265	L	89.1	Confident	91.7	Very high	11 Å²	11	47 Å²	47	6%	0.058	26%	0.258	C	S	.	.	S	Bend	trans	-69.3	-35.9	174.7	-72.8	160.9	0	0	0	111.9	L260 S267 F290 D293 D297	L260-L265 HydrophobicContact CB-CD2 3.72Å; L260-L265 HydrophobicContact CD1-CD2 4.1Å; L265-S267 PolarHBondContact O-N 3.25Å; L265-F290 HydrophobicContact CD2-CE2 3.85Å; L265-F290 HydrophobicContact CD2-CZ 3.65Å; L265-D293 HydrophobicContact CD1-CB 3.53Å; L265-D297 HydrophobicContact CB-CB 4.39Å; L265-D297 PolarHBondContact N-OD2 3.37Å
266	S	85.4	Confident	91.6	Very high	50 Å²	50	49 Å²	49	35%	0.35	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.4	179.3	70.7	0	0	0	0	113	Q268 D297 S301	S266-Q268 VanDerWaalsContact C-N 3.33Å; S266-D297 WeakPolarHBondContact CB-OD2 3.49Å; S266-D297 PolarHBondContact N-OD2 3.03Å; S266-D297 PolarHBondContact OG-OD2 3.41Å; S266-S301 PolarHBondContact OG-OG 3.01Å
267	S	85.5	Confident	91.5	Very high	64 Å²	64	55.5 Å²	55.5	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.3	179.3	77	0	0	0	0	113.4	R263 G264 L265 P269	R263-S267 PolarHBondContact O-OG 3.45Å; G264-S267 PolarHBondContact O-N 3.44Å; G264-S267 PolarHBondContact O-OG 2.88Å; L265-S267 PolarHBondContact O-N 3.25Å; S267-P269 VanDerWaalsContact O-CD 3.28Å; S267-P269 WeakPolarHBondContact O-CD 3.39Å
268	Q	89	Confident	91.4	Very high	32 Å²	32	53.2 Å²	53.2	15%	0.15	29%	0.29	C	S	.	.	S	Bend	trans	-82.6	112.5	-175.2	-63	-51.6	-53.4	0	0	112	I236 L260 S266 G270 L271	I236-Q268 HydrophobicContact CD1-CB 4.44Å; I236-Q268 HydrophobicContact CD1-CG 4.32Å; L260-Q268 HydrophobicContact CD1-CG 4.03Å; L260-Q268 HydrophobicContact CD2-CG 3.78Å; L260-Q268 HydrophobicContact CG-CG 4.43Å; S266-Q268 VanDerWaalsContact C-N 3.33Å; Q268-G270 PolarHBondContact O-N 2.87Å; Q268-L271 HydrophobicContact CB-CB 3.92Å; Q268-L271 HydrophobicContact CB-CD2 3.93Å; Q268-L271 HydrophobicContact CG-CD2 4.34Å; Q268-L271 WeakPolarHBondContact O-CB 3.47Å; Q268-L271 PolarHBondContact O-N 2.96Å
269	P	87	Confident	91.3	Very high	102 Å²	102	55.7 Å²	55.7	66%	0.662	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	130.6	-175.2	-22.4	34.3	0	0	0	112.4	S267 L271	S267-P269 VanDerWaalsContact O-CD 3.28Å; S267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-L271 PolarHBondContact O-N 3.03Å
270	G	91	Very high	91.2	Very high	30 Å²	30	62.3 Å²	62.3	31%	0.309	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-2.2	175.4	0	0	0	0	0	115	Q268 E273 K274	Q268-G270 PolarHBondContact O-N 2.87Å; G270-E273 WeakPolarHBondContact CA-OE2 3.19Å; G270-K274 WeakPolarHBondContact O-CB 3.24Å; G270-K274 WeakPolarHBondContact O-CD 3.31Å; G270-K274 WeakPolarHBondContact O-CG 3.48Å; G270-K274 PolarHBondContact O-N 3.12Å
271	L	94.3	Very high	91.2	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-70.4	-47.9	-177.1	177.9	60.2	0	0	0	111.3	I236 L260 Q268 P269 E273 K274 V275 F290	I236-L271 HydrophobicContact CG2-CD1 4.03Å; L260-L271 HydrophobicContact CD1-CD2 3.39Å; Q268-L271 HydrophobicContact CB-CB 3.92Å; Q268-L271 HydrophobicContact CB-CD2 3.93Å; Q268-L271 HydrophobicContact CG-CD2 4.34Å; Q268-L271 WeakPolarHBondContact O-CB 3.47Å; Q268-L271 PolarHBondContact O-N 2.96Å; P269-L271 PolarHBondContact O-N 3.03Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.68Å; L271-K274 PolarHBondContact O-N 2.95Å; L271-V275 HydrophobicContact CD1-CG2 4.16Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.32Å; L271-F290 HydrophobicContact CD2-CE1 4.23Å; L271-F290 HydrophobicContact CD2-CZ 4.1Å; L271-F290 HydrophobicContact CG-CE1 4.37Å
272	L	94.1	Very high	91.5	Very high	53 Å²	53	65 Å²	65	28%	0.277	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-44.1	179.8	-179.7	62.2	0	0	0	110.9	V275 L276 L291 C294 Y295	L272-V275 PolarHBondContact O-N 2.9Å; L272-L276 HydrophobicContact CD1-CD1 4.32Å; L272-L276 HydrophobicContact CD1-CG 4.39Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 VanDerWaalsContact O-CG 3.29Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.19Å; L272-L291 HydrophobicContact CD1-CD2 3.64Å; L272-C294 HydrophobicContact CD1-CB 4.08Å; L272-Y295 HydrophobicContact CD1-CE1 4.05Å; L272-Y295 HydrophobicContact CD2-CE1 4.1Å
273	E	94.8	Very high	91.9	Very high	106 Å²	106	60.7 Å²	60.7	50%	0.495	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-48	177.5	-64.3	78.6	-176.4	0	0	111.1	G270 L271 V275 L276 E277	G270-E273 WeakPolarHBondContact CA-OE2 3.19Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.68Å; E273-V275 VanDerWaalsContact C-N 3.32Å; E273-V275 PolarHBondContact O-N 3.1Å; E273-L276 PolarHBondContact O-N 3.23Å; E273-E277 WeakPolarHBondContact O-CG 3.5Å; E273-E277 PolarHBondContact O-N 2.67Å
274	K	95.5	Very high	92.5	Very high	59 Å²	59	55.6 Å²	55.6	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-38.7	177	-72.7	168.4	-172.9	177.9	0	112.4	L240 G270 L271 L278	L240-K274 HydrophobicContact CD1-CB 4.22Å; L240-K274 HydrophobicContact CD1-CD 3.8Å; G270-K274 WeakPolarHBondContact O-CB 3.24Å; G270-K274 WeakPolarHBondContact O-CD 3.31Å; G270-K274 WeakPolarHBondContact O-CG 3.48Å; G270-K274 PolarHBondContact O-N 3.12Å; L271-K274 PolarHBondContact O-N 2.95Å; K274-L278 WeakPolarHBondContact O-CG 3.36Å; K274-L278 PolarHBondContact O-N 2.76Å
275	V	96.2	Very high	93.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-71.9	-38.2	178.1	177.6	0	0	0	0	111.1	W253 L271 L272 E273 L278 K279 L287 F290 L291	W253-V275 HydrophobicContact CH2-CG1 4.31Å; W253-V275 HydrophobicContact CZ3-CG1 4.34Å; L271-V275 HydrophobicContact CD1-CG2 4.16Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.32Å; L272-V275 PolarHBondContact O-N 2.9Å; E273-V275 VanDerWaalsContact C-N 3.32Å; E273-V275 PolarHBondContact O-N 3.1Å; V275-L278 WeakPolarHBondContact O-CB 3.46Å; V275-L278 PolarHBondContact O-N 3.23Å; V275-K279 PolarHBondContact O-N 3.36Å; V275-K279 VanDerWaalsContact O-N 3.1Å; V275-L287 HydrophobicContact CG1-CD1 4.45Å; V275-L287 HydrophobicContact CG1-CD2 4.35Å; V275-L287 HydrophobicContact CG1-CG 3.96Å; V275-F290 HydrophobicContact CG1-CD1 4.2Å; V275-F290 HydrophobicContact CG2-CD1 4.04Å; V275-F290 HydrophobicContact CG2-CE1 3.96Å; V275-L291 HydrophobicContact CB-CD2 4.14Å; V275-L291 HydrophobicContact CG1-CD2 3.6Å; V275-L291 HydrophobicContact CG1-CG 3.85Å
276	L	95.8	Very high	93.5	Very high	58 Å²	58	59 Å²	59	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-40.6	173.5	-73.5	169.8	0	0	0	111.9	L272 E273 L278 K279 L291	L272-L276 HydrophobicContact CD1-CD1 4.32Å; L272-L276 HydrophobicContact CD1-CG 4.39Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 VanDerWaalsContact O-CG 3.29Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.19Å; E273-L276 PolarHBondContact O-N 3.23Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.33Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 3.07Å; L276-K279 VanDerWaalsContact O-N 3.12Å; L276-L291 HydrophobicContact CD2-CD1 4.02Å; L276-L291 HydrophobicContact CD2-CD2 3.91Å; L276-L291 HydrophobicContact CG-CD2 4.08Å
277	E	95.7	Very high	94.1	Very high	137 Å²	137	56.7 Å²	56.7	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-60	-39.3	172.7	-73.3	173.9	-175.2	0	0	112.1	E273 K279 E280	E273-E277 WeakPolarHBondContact O-CG 3.5Å; E273-E277 PolarHBondContact O-N 2.67Å; E277-K279 VanDerWaalsContact C-N 3.27Å; E277-K279 PolarHBondContact O-N 3.26Å; E277-E280 PolarHBondContact O-N 2.79Å
278	L	95.4	Very high	94.7	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-28.6	176.1	-72.2	174.8	0	0	0	112.7	L240 I243 R244 K274 V275 L276 E280 T281 H282 L287	L240-L278 HydrophobicContact CD2-CD1 3.88Å; I243-L278 HydrophobicContact CG2-CD1 4.25Å; R244-L278 HydrophobicContact CG-CD2 3.7Å; K274-L278 WeakPolarHBondContact O-CG 3.36Å; K274-L278 PolarHBondContact O-N 2.76Å; V275-L278 WeakPolarHBondContact O-CB 3.46Å; V275-L278 PolarHBondContact O-N 3.23Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.33Å; L278-E280 PolarHBondContact O-N 2.98Å; L278-T281 PolarHBondContact O-N 3.3Å; L278-T281 VanDerWaalsContact O-N 3.14Å; L278-H282 WeakPolarHBondContact O-CA 3.41Å; L278-H282 WeakPolarHBondContact O-CB 3.44Å; L278-H282 PolarHBondContact O-N 3.47Å; L278-L287 HydrophobicContact CB-CD1 3.83Å
279	K	94.7	Very high	95.2	Very high	75 Å²	75	53 Å²	53	33%	0.326	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-33.8	-179.8	-173.9	170.7	162.2	-79.7	0	112.4	V275 L276 E277 T281 C283 L287 L291	V275-K279 PolarHBondContact O-N 3.36Å; V275-K279 VanDerWaalsContact O-N 3.1Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 3.07Å; L276-K279 VanDerWaalsContact O-N 3.12Å; E277-K279 VanDerWaalsContact C-N 3.27Å; E277-K279 PolarHBondContact O-N 3.26Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.99Å; K279-C283 VanDerWaalsContact O-CB 3.31Å; K279-C283 WeakPolarHBondContact O-CB 3.27Å; K279-L287 HydrophobicContact CB-CD1 4.41Å; K279-L287 HydrophobicContact CB-CD2 3.79Å; K279-L287 HydrophobicContact CD-CD2 4.28Å; K279-L287 HydrophobicContact CG-CD2 3.95Å; K279-L291 HydrophobicContact CD-CD1 3.88Å
280	E	92.2	Very high	95.7	Very high	150 Å²	150	48.4 Å²	48.4	70%	0.701	25%	0.252	S	S	*	.	H	α-helix	trans	-68.8	-24.1	-177.9	-62.6	-54.4	125.9	0	0	113.4	E277 L278	E277-E280 PolarHBondContact O-N 2.79Å; L278-E280 PolarHBondContact O-N 2.98Å
281	T	93.4	Very high	96	Very high	104 Å²	104	47 Å²	47	64%	0.638	24%	0.238	S	C	*	.	H	α-helix	trans	-124.6	-23.7	-171.1	44.7	0	0	0	0	113.9	L278 K279	L278-T281 PolarHBondContact O-N 3.3Å; L278-T281 VanDerWaalsContact O-N 3.14Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.99Å
282	H	94.5	Very high	96.2	Very high	53 Å²	53	46.9 Å²	46.9	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-135.1	28.7	-169.3	-56.8	90.9	0	0	0	111.7	P247 L278 S284	P247-H282 HydrophobicContact CB-CB 3.86Å; P247-H282 HydrophobicContact CG-CB 3.73Å; P247-H282 WeakPolarHBondContact CG-CD2 3.46Å; L278-H282 WeakPolarHBondContact O-CA 3.41Å; L278-H282 WeakPolarHBondContact O-CB 3.44Å; L278-H282 PolarHBondContact O-N 3.47Å; H282-S284 PolarHBondContact O-N 3.48Å; H282-S284 VanDerWaalsContact O-N 3.16Å
283	C	95	Very high	96.4	Very high	56 Å²	56	45 Å²	45	38%	0.378	23%	0.227	S	C	.	.			trans	-56.5	118.8	179.5	-165.1	0	0	0	0	111.6	K279	K279-C283 VanDerWaalsContact O-CB 3.31Å; K279-C283 WeakPolarHBondContact O-CB 3.27Å
284	S	97.7	Very high	96.4	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	21%	0.205	C	C	.	.			trans	-133.1	162.8	174.1	72.4	0	0	0	0	109.8	P247 H282 Y286 L287 L288	P247-S284 PolarHBondContact O-OG 3.21Å; P247-S284 VanDerWaalsContact O-OG 3.05Å; H282-S284 PolarHBondContact O-N 3.48Å; H282-S284 VanDerWaalsContact O-N 3.16Å; S284-Y286 PolarHBondContact O-N 2.98Å; S284-Y286 PolarHBondContact OG-N 3.24Å; S284-L287 WeakPolarHBondContact O-CB 3.42Å; S284-L287 PolarHBondContact O-N 2.87Å; S284-L287 VanDerWaalsContact O-N 3.11Å; S284-L287 PolarHBondContact OG-N 3.12Å; S284-L288 PolarHBondContact O-N 2.98Å; S284-L288 VanDerWaalsContact O-N 3.09Å
285	P	98.3	Very high	96.4	Very high	32 Å²	32	38 Å²	38	21%	0.208	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-32.7	173.8	-25.2	36	0	0	0	112.6	L288 A289 L326 K330 D331	P285-L288 PolarHBondContact O-N 3.39Å; P285-A289 VanDerWaalsContact O-CB 3.32Å; P285-A289 WeakPolarHBondContact O-CB 3.41Å; P285-A289 PolarHBondContact O-N 3.07Å; P285-L326 HydrophobicContact CB-CD2 4.14Å; P285-K330 WeakPolarHBondContact CG-O 3.39Å; P285-D331 HydrophobicContact CB-CB 4.25Å
286	Y	98.4	Very high	96.4	Very high	62 Å²	62	40.5 Å²	40.5	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-40	176.9	-44.9	-66.4	0	0	0	112.5	H248 E250 W253 S284 A289 F290	H248-Y286 HydrophobicContact CB-CE2 4.37Å; H248-Y286 VanDerWaalsContact O-CE2 3.31Å; H248-Y286 WeakPolarHBondContact O-CE2 3.44Å; E250-Y286 HydrophobicContact CB-CD1 4.1Å; E250-Y286 HydrophobicContact CB-CE1 3.66Å; E250-Y286 HydrophobicContact CB-CE2 4.48Å; E250-Y286 HydrophobicContact CG-CD1 3.77Å; E250-Y286 HydrophobicContact CG-CE1 3.53Å; W253-Y286 AromaticContact CD1-CG 3.97Å; S284-Y286 PolarHBondContact O-N 2.98Å; S284-Y286 PolarHBondContact OG-N 3.24Å; Y286-A289 PolarHBondContact O-N 3.01Å; Y286-F290 WeakPolarHBondContact O-CB 3.24Å; Y286-F290 PolarHBondContact O-N 3.24Å
287	L	98.4	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-45.6	174.1	-176.2	152.5	0	0	0	110.8	W253 V275 L278 K279 S284 F290 L291	W253-L287 HydrophobicContact CH2-CB 3.71Å; W253-L287 HydrophobicContact CH2-CD1 3.92Å; W253-L287 HydrophobicContact CH2-CG 3.75Å; W253-L287 HydrophobicContact CZ2-CB 3.64Å; W253-L287 HydrophobicContact CZ2-CD1 4.12Å; W253-L287 HydrophobicContact CZ2-CG 4.11Å; V275-L287 HydrophobicContact CG1-CD1 4.45Å; V275-L287 HydrophobicContact CG1-CD2 4.35Å; V275-L287 HydrophobicContact CG1-CG 3.96Å; L278-L287 HydrophobicContact CB-CD1 3.83Å; K279-L287 HydrophobicContact CB-CD1 4.41Å; K279-L287 HydrophobicContact CB-CD2 3.79Å; K279-L287 HydrophobicContact CD-CD2 4.28Å; K279-L287 HydrophobicContact CG-CD2 3.95Å; S284-L287 WeakPolarHBondContact O-CB 3.42Å; S284-L287 PolarHBondContact O-N 2.87Å; S284-L287 VanDerWaalsContact O-N 3.11Å; S284-L287 PolarHBondContact OG-N 3.12Å; L287-F290 PolarHBondContact O-N 2.81Å; L287-L291 HydrophobicContact CD2-CD1 3.6Å; L287-L291 HydrophobicContact CD2-CG 4.12Å; L287-L291 WeakPolarHBondContact O-CG 3.35Å; L287-L291 PolarHBondContact O-N 3.45Å
288	L	98.5	Very high	96.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-45	177.6	-68.2	176.1	0	0	0	111.1	S284 P285 F290 L291 F292 I322 L325 L326 K330	S284-L288 PolarHBondContact O-N 2.98Å; S284-L288 VanDerWaalsContact O-N 3.09Å; P285-L288 PolarHBondContact O-N 3.39Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.25Å; L288-L291 PolarHBondContact O-N 2.97Å; L288-F292 PolarHBondContact O-N 3.47Å; L288-I322 HydrophobicContact CB-CG2 4.16Å; L288-I322 WeakPolarHBondContact O-CG2 3.44Å; L288-L325 HydrophobicContact CD1-CD2 3.81Å; L288-L325 HydrophobicContact CD1-CG 4.29Å; L288-L325 HydrophobicContact CD2-CD2 4.27Å; L288-L326 HydrophobicContact CB-CD1 4.09Å; L288-L326 HydrophobicContact CB-CD2 3.89Å; L288-L326 HydrophobicContact CB-CG 4.09Å; L288-L326 HydrophobicContact CD1-CD2 4.1Å; L288-L326 HydrophobicContact CD1-CG 4.4Å; L288-K330 HydrophobicContact CD1-CB 4.04Å; L288-K330 HydrophobicContact CD1-CG 3.84Å
289	A	98.4	Very high	96	Very high	19 Å²	19	33.6 Å²	33.6	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-42.7	174.1	0	0	0	0	0	112.1	P285 Y286 F292 D293 W338	P285-A289 VanDerWaalsContact O-CB 3.32Å; P285-A289 WeakPolarHBondContact O-CB 3.41Å; P285-A289 PolarHBondContact O-N 3.07Å; Y286-A289 PolarHBondContact O-N 3.01Å; A289-F292 WeakPolarHBondContact O-CB 3.45Å; A289-F292 PolarHBondContact O-N 3.46Å; A289-D293 VanDerWaalsContact O-CG 3.27Å; A289-D293 PolarHBondContact O-N 3.45Å; A289-W338 HydrophobicContact CB-CH2 3.54Å; A289-W338 HydrophobicContact CB-CZ2 3.92Å
290	F	98.2	Very high	95.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-40.3	177.3	-167.9	-87.2	0	0	0	112.3	W253 L256 K257 L265 L271 V275 Y286 L287 L288 F292 D293 C294	W253-F290 HydrophobicContact CE3-CB 3.83Å; W253-F290 HydrophobicContact CE3-CD2 4.02Å; W253-F290 AromaticContact CE3-CG 3.89Å; W253-F290 HydrophobicContact CE3-CG 3.89Å; W253-F290 HydrophobicContact CZ3-CB 3.85Å; W253-F290 HydrophobicContact CZ3-CD1 4.18Å; W253-F290 HydrophobicContact CZ3-CD2 4.39Å; W253-F290 AromaticContact CZ3-CG 3.87Å; W253-F290 HydrophobicContact CZ3-CG 3.87Å; L256-F290 HydrophobicContact CB-CE2 4.31Å; L256-F290 HydrophobicContact CD1-CZ 4.5Å; L256-F290 HydrophobicContact CD2-CD2 4.5Å; L256-F290 HydrophobicContact CD2-CE1 4.31Å; L256-F290 HydrophobicContact CD2-CE2 3.87Å; L256-F290 HydrophobicContact CD2-CZ 3.75Å; L256-F290 HydrophobicContact CG-CE2 3.65Å; L256-F290 HydrophobicContact CG-CZ 3.7Å; K257-F290 HydrophobicContact CB-CD2 4.36Å; K257-F290 HydrophobicContact CB-CE2 4.15Å; L265-F290 HydrophobicContact CD2-CE2 3.85Å; L265-F290 HydrophobicContact CD2-CZ 3.65Å; L271-F290 HydrophobicContact CD2-CE1 4.23Å; L271-F290 HydrophobicContact CD2-CZ 4.1Å; L271-F290 HydrophobicContact CG-CE1 4.37Å; V275-F290 HydrophobicContact CG1-CD1 4.2Å; V275-F290 HydrophobicContact CG2-CD1 4.04Å; V275-F290 HydrophobicContact CG2-CE1 3.96Å; Y286-F290 WeakPolarHBondContact O-CB 3.24Å; Y286-F290 PolarHBondContact O-N 3.24Å; L287-F290 PolarHBondContact O-N 2.81Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.25Å; F290-F292 VanDerWaalsContact C-N 3.33Å; F290-D293 PolarHBondContact O-N 3.1Å; F290-C294 VanDerWaalsContact CE1-SG 3.52Å; F290-C294 PolarHBondContact O-N 3.23Å; F290-C294 PolarHBondContact O-SG 3.35Å; F290-C294 VanDerWaalsContact O-SG 3.41Å
291	L	97.7	Very high	95.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-40.3	173.1	-74.7	177.1	0	0	0	111.8	L272 V275 L276 K279 L287 L288 C294 Y295 I322	L272-L291 HydrophobicContact CD1-CD2 3.64Å; V275-L291 HydrophobicContact CB-CD2 4.14Å; V275-L291 HydrophobicContact CG1-CD2 3.6Å; V275-L291 HydrophobicContact CG1-CG 3.85Å; L276-L291 HydrophobicContact CD2-CD1 4.02Å; L276-L291 HydrophobicContact CD2-CD2 3.91Å; L276-L291 HydrophobicContact CG-CD2 4.08Å; K279-L291 HydrophobicContact CD-CD1 3.88Å; L287-L291 HydrophobicContact CD2-CD1 3.6Å; L287-L291 HydrophobicContact CD2-CG 4.12Å; L287-L291 WeakPolarHBondContact O-CG 3.35Å; L287-L291 PolarHBondContact O-N 3.45Å; L288-L291 PolarHBondContact O-N 2.97Å; L291-C294 PolarHBondContact O-N 3.41Å; L291-Y295 HydrophobicContact CB-CE2 4.39Å; L291-Y295 WeakPolarHBondContact O-CD2 3.24Å; L291-Y295 PolarHBondContact O-N 2.92Å; L291-I322 HydrophobicContact CB-CD1 3.66Å; L291-I322 HydrophobicContact CD1-CD1 4.48Å
292	F	97.9	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-50	171.9	169.9	-85.1	0	0	0	110.8	L288 A289 F290 C294 Y295 E296 A319 I322 C323 W338 L341 L345	L288-F292 PolarHBondContact O-N 3.47Å; A289-F292 WeakPolarHBondContact O-CB 3.45Å; A289-F292 PolarHBondContact O-N 3.46Å; F290-F292 VanDerWaalsContact C-N 3.33Å; F292-C294 VanDerWaalsContact C-N 3.29Å; F292-C294 PolarHBondContact O-N 3.23Å; F292-Y295 PolarHBondContact O-N 3.27Å; F292-E296 HydrophobicContact CE1-CB 4.28Å; F292-E296 HydrophobicContact CZ-CB 4.49Å; F292-E296 PolarHBondContact O-N 2.96Å; F292-A319 HydrophobicContact CD2-CB 4.26Å; F292-A319 HydrophobicContact CE2-CB 4.44Å; F292-I322 HydrophobicContact CB-CG2 3.88Å; F292-C323 WeakPolarHBondContact CD2-SG 3.49Å; F292-C323 WeakPolarHBondContact CE2-SG 3.42Å; F292-W338 HydrophobicContact CD1-CZ3 4.14Å; F292-W338 HydrophobicContact CG-CZ3 4.2Å; F292-L341 HydrophobicContact CD1-CD1 4.3Å; F292-L341 HydrophobicContact CE1-CB 4.42Å; F292-L341 HydrophobicContact CE1-CD1 3.66Å; F292-L341 HydrophobicContact CE1-CG 4.43Å; F292-L341 HydrophobicContact CE2-CB 4.23Å; F292-L341 HydrophobicContact CZ-CB 3.77Å; F292-L341 HydrophobicContact CZ-CD1 3.85Å; F292-L341 HydrophobicContact CZ-CD2 4.41Å; F292-L341 HydrophobicContact CZ-CG 4.23Å; F292-L345 HydrophobicContact CD2-CD1 4.33Å; F292-L345 HydrophobicContact CE2-CD1 3.38Å; F292-L345 HydrophobicContact CE2-CG 4.2Å; F292-L345 HydrophobicContact CZ-CD1 3.8Å; F292-L345 HydrophobicContact CZ-CG 4.19Å
293	D	97.2	Very high	93	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-39.3	180	-63.1	-44.1	0	0	0	111.6	K257 L265 A289 F290 E296 D297	K257-D293 WeakPolarHBondContact CD-OD2 3.46Å; K257-D293 VanDerWaalsContact CE-OD2 3.28Å; K257-D293 WeakPolarHBondContact CE-OD2 3.35Å; K257-D293 IonicContact NZ-OD1 3.41Å; K257-D293 PolarHBondContact NZ-OD1 2.89Å; K257-D293 IonicContact NZ-OD2 2.84Å; K257-D293 PolarHBondContact NZ-OD2 2.98Å; L265-D293 HydrophobicContact CD1-CB 3.53Å; A289-D293 VanDerWaalsContact O-CG 3.27Å; A289-D293 PolarHBondContact O-N 3.45Å; F290-D293 PolarHBondContact O-N 3.1Å; D293-E296 PolarHBondContact O-N 3.3Å; D293-D297 PolarHBondContact O-N 2.67Å; D293-D297 VanDerWaalsContact O-N 3.09Å
294	C	95.8	Very high	91.2	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-40.5	173.5	-72.1	0	0	0	0	112.8	L272 F290 L291 F292 A298	L272-C294 HydrophobicContact CD1-CB 4.08Å; F290-C294 VanDerWaalsContact CE1-SG 3.52Å; F290-C294 PolarHBondContact O-N 3.23Å; F290-C294 PolarHBondContact O-SG 3.35Å; F290-C294 VanDerWaalsContact O-SG 3.41Å; L291-C294 PolarHBondContact O-N 3.41Å; F292-C294 VanDerWaalsContact C-N 3.29Å; F292-C294 PolarHBondContact O-N 3.23Å; C294-A298 WeakPolarHBondContact O-CB 3.39Å; C294-A298 PolarHBondContact O-N 3.13Å
295	Y	95.8	Very high	89.3	Confident	14 Å²	14	40 Å²	40	6%	0.055	20%	0.201	C	C	.	.	H	α-helix	trans	-72.4	-36.8	178.4	-65.9	-38	0	0	0	112.3	L272 L291 F292 A298 L299 T315 R318 A319 I322	L272-Y295 HydrophobicContact CD1-CE1 4.05Å; L272-Y295 HydrophobicContact CD2-CE1 4.1Å; L291-Y295 HydrophobicContact CB-CE2 4.39Å; L291-Y295 WeakPolarHBondContact O-CD2 3.24Å; L291-Y295 PolarHBondContact O-N 2.92Å; F292-Y295 PolarHBondContact O-N 3.27Å; Y295-A298 PolarHBondContact O-N 3.01Å; Y295-L299 VanDerWaalsContact O-CG 3.24Å; Y295-L299 WeakPolarHBondContact O-CG 3.35Å; Y295-L299 PolarHBondContact O-N 3.4Å; Y295-T315 HydrophobicContact CD1-CG2 3.9Å; Y295-T315 HydrophobicContact CG-CG2 4.18Å; Y295-R318 HydrophobicContact CD2-CB 4.03Å; Y295-R318 HydrophobicContact CE2-CB 3.66Å; Y295-A319 HydrophobicContact CD2-CB 4.37Å; Y295-I322 HydrophobicContact CD2-CD1 3.93Å; Y295-I322 HydrophobicContact CE2-CD1 3.67Å
296	E	95.3	Very high	87.1	Confident	53 Å²	53	47.1 Å²	47.1	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-49.3	173.4	-179.6	169.5	-116.9	0	0	111.1	F292 D293 A298 L299 E300 L345	F292-E296 HydrophobicContact CE1-CB 4.28Å; F292-E296 HydrophobicContact CZ-CB 4.49Å; F292-E296 PolarHBondContact O-N 2.96Å; D293-E296 PolarHBondContact O-N 3.3Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 3.46Å; E296-L299 WeakPolarHBondContact O-CB 3.34Å; E296-L299 PolarHBondContact O-N 2.8Å; E296-E300 PolarHBondContact O-N 2.69Å; E296-L345 HydrophobicContact CB-CD2 4.42Å; E296-L345 HydrophobicContact CG-CD2 4.08Å
297	D	93.9	Very high	85.2	Confident	34 Å²	34	51.8 Å²	51.8	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-36.5	176.9	-171.8	59.4	0	0	0	112.6	G264 L265 S266 D293 E300 S301	G264-D297 WeakPolarHBondContact CA-OD2 3.49Å; L265-D297 HydrophobicContact CB-CB 4.39Å; L265-D297 PolarHBondContact N-OD2 3.37Å; S266-D297 WeakPolarHBondContact CB-OD2 3.49Å; S266-D297 PolarHBondContact N-OD2 3.03Å; S266-D297 PolarHBondContact OG-OD2 3.41Å; D293-D297 PolarHBondContact O-N 2.67Å; D293-D297 VanDerWaalsContact O-N 3.09Å; D297-E300 PolarHBondContact O-N 3.47Å; D297-S301 WeakPolarHBondContact O-CB 3.41Å; D297-S301 PolarHBondContact O-N 3.44Å; D297-S301 PolarHBondContact O-OG 3.37Å
298	A	91.9	Very high	83.7	Confident	25 Å²	25	55 Å²	55	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-38	173.8	0	0	0	0	0	112.3	C294 Y295 E296 S301 S302 T315	C294-A298 WeakPolarHBondContact O-CB 3.39Å; C294-A298 PolarHBondContact O-N 3.13Å; Y295-A298 PolarHBondContact O-N 3.01Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 3.46Å; A298-S301 WeakPolarHBondContact CA-OG 3.35Å; A298-S301 PolarHBondContact O-OG 3.1Å; A298-S302 WeakPolarHBondContact O-CB 3.48Å; A298-S302 PolarHBondContact O-N 3.49Å; A298-S302 PolarHBondContact O-OG 3.02Å; A298-T315 HydrophobicContact CB-CG2 4.2Å
299	L	91.9	Very high	82.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-40.9	174.3	-70.1	165.7	0	0	0	111.1	Y295 E296 S302 F303 H312 T315 L316 L345 Y349	Y295-L299 VanDerWaalsContact O-CG 3.24Å; Y295-L299 WeakPolarHBondContact O-CG 3.35Å; Y295-L299 PolarHBondContact O-N 3.4Å; E296-L299 WeakPolarHBondContact O-CB 3.34Å; E296-L299 PolarHBondContact O-N 2.8Å; L299-S302 PolarHBondContact O-OG 3.17Å; L299-F303 WeakPolarHBondContact O-CB 3.47Å; L299-F303 PolarHBondContact O-N 3.41Å; L299-F303 VanDerWaalsContact O-N 3.14Å; L299-H312 VanDerWaalsContact CD2-CE1 3.44Å; L299-H312 WeakPolarHBondContact CD2-CE1 3.45Å; L299-T315 HydrophobicContact CD1-CG2 4.44Å; L299-T315 HydrophobicContact CD2-CG2 3.96Å; L299-T315 HydrophobicContact CG-CG2 3.81Å; L299-L316 HydrophobicContact CD1-CB 4.33Å; L299-L316 HydrophobicContact CD1-CD1 4.11Å; L299-L316 HydrophobicContact CD2-CB 4.06Å; L299-L345 HydrophobicContact CD1-CD1 4.37Å; L299-L345 HydrophobicContact CD1-CD2 4.12Å; L299-Y349 HydrophobicContact CB-CD1 4.27Å; L299-Y349 HydrophobicContact CB-CD2 4.07Å; L299-Y349 HydrophobicContact CB-CE1 4.16Å; L299-Y349 HydrophobicContact CB-CE2 3.96Å; L299-Y349 HydrophobicContact CB-CG 4.22Å; L299-Y349 HydrophobicContact CD1-CD2 4.05Å; L299-Y349 HydrophobicContact CD1-CE2 4.49Å; L299-Y349 HydrophobicContact CD1-CG 4.48Å
300	E	90.1	Very high	81.8	Confident	87 Å²	87	67.2 Å²	67.2	41%	0.407	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-45.2	175.8	-77.8	-172.7	171.2	0	0	113	E296 D297 K348 Y349	E296-E300 PolarHBondContact O-N 2.69Å; D297-E300 PolarHBondContact O-N 3.47Å; E300-K348 IonicContact OE1-NZ 3.93Å; E300-K348 PolarHBondContact OE1-NZ 2.93Å; E300-Y349 WeakPolarHBondContact CG-OH 3.47Å
301	S	84.8	Confident	81.1	Confident	50 Å²	50	72.8 Å²	72.8	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-77.4	-30.2	-178.5	60.3	0	0	0	0	113.8	S266 D297 A298	S266-S301 PolarHBondContact OG-OG 3.01Å; D297-S301 WeakPolarHBondContact O-CB 3.41Å; D297-S301 PolarHBondContact O-N 3.44Å; D297-S301 PolarHBondContact O-OG 3.37Å; A298-S301 WeakPolarHBondContact CA-OG 3.35Å; A298-S301 PolarHBondContact O-OG 3.1Å
302	S	77	Confident	80.7	Confident	23 Å²	23	73.8 Å²	73.8	16%	0.161	36%	0.362	C	S	.	.	H	α-helix	trans	-79.2	-26	177.8	61.9	0	0	0	0	113.4	A298 L299 Q304 K305 H312	A298-S302 WeakPolarHBondContact O-CB 3.48Å; A298-S302 PolarHBondContact O-N 3.49Å; A298-S302 PolarHBondContact O-OG 3.02Å; L299-S302 PolarHBondContact O-OG 3.17Å; S302-Q304 PolarHBondContact O-N 2.77Å; S302-K305 PolarHBondContact O-N 2.71Å; S302-H312 PolarHBondContact OG-ND1 2.91Å
303	F	59.8	Low	80.3	Confident	103 Å²	103	79 Å²	79	45%	0.452	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.8	177.4	-168	-99.7	0	0	0	113.3	L299 Y349 L354	L299-F303 WeakPolarHBondContact O-CB 3.47Å; L299-F303 PolarHBondContact O-N 3.41Å; L299-F303 VanDerWaalsContact O-N 3.14Å; F303-Y349 HydrophobicContact CB-CE1 4.35Å; F303-Y349 HydrophobicContact CD2-CD1 4.08Å; F303-Y349 HydrophobicContact CD2-CE1 4.13Å; F303-Y349 HydrophobicContact CG-CE1 4.39Å; F303-L354 HydrophobicContact CE2-CD2 3.81Å; F303-L354 HydrophobicContact CZ-CD2 4.44Å
304	Q	57.8	Low	80.1	Confident	170 Å²	170	81.6 Å²	81.6	79%	0.794	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-1.2	179.7	-60.6	179.5	5.6	0	0	114.1	S302	S302-Q304 PolarHBondContact O-N 2.77Å
305	K	57.8	Low	80	Confident	144 Å²	144	82.3 Å²	82.3	63%	0.626	40%	0.4	S	S	*	.	S	Bend	trans	-115.6	114.1	-174.9	-66	-179.1	-176.2	172.2	0	111.4	S302 N307	S302-K305 PolarHBondContact O-N 2.71Å; K305-N307 PolarHBondContact O-N 3.38Å
306	E	51.9	Low	80	Confident	182 Å²	182	82.3 Å²	82.3	85%	0.85	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	129.4	171.1	-67.2	176.4	169.9	0	0	110
307	N	58.3	Low	80	Confident	159 Å²	159	85.1 Å²	85.1	85%	0.85	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	15.8	172.7	-53	-52.5	0	0	0	120.1	K305	K305-N307 PolarHBondContact O-N 3.38Å
308	L	66.9	Low	80.2	Confident	68 Å²	68	88.1 Å²	88.1	36%	0.356	42%	0.421	S	S	.	.			trans	-114.3	32.6	178.4	-62.9	178.6	0	0	0	115.3	Q310 E311 H312	L308-Q310 VanDerWaalsContact C-N 3.31Å; L308-Q310 PolarHBondContact O-N 2.88Å; L308-E311 HydrophobicContact CB-CB 4.47Å; L308-E311 WeakPolarHBondContact CD2-OE2 3.4Å; L308-E311 PolarHBondContact O-N 3.38Å; L308-H312 VanDerWaalsContact O-CB 3.3Å; L308-H312 WeakPolarHBondContact O-CB 3.42Å; L308-H312 PolarHBondContact O-N 3.11Å
309	E	76.4	Confident	80.5	Confident	134 Å²	134	86.9 Å²	86.9	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-58	-38.4	-171.8	-161.2	-172	157.9	0	0	113.8	K313	E309-K313 VanDerWaalsContact O-CG 3.32Å; E309-K313 WeakPolarHBondContact O-CG 3.4Å; E309-K313 PolarHBondContact O-N 2.89Å; E309-K313 VanDerWaalsContact O-N 3.12Å; E309-K313 WeakPolarHBondContact OE1-CE 3.46Å; E309-K313 IonicContact OE1-NZ 2.93Å; E309-K313 PolarHBondContact OE1-NZ 3.39Å
310	Q	81	Confident	80.8	Confident	143 Å²	143	89 Å²	89	67%	0.668	42%	0.423	S	S	*	.	H	α-helix	trans	-74.1	-40	-179.5	-172	60.5	32.1	0	0	112.7	L308 E314	L308-Q310 VanDerWaalsContact C-N 3.31Å; L308-Q310 PolarHBondContact O-N 2.88Å; Q310-E314 PolarHBondContact O-N 3.28Å; Q310-E314 VanDerWaalsContact O-N 3.1Å
311	E	84.7	Confident	81.2	Confident	121 Å²	121	90.1 Å²	90.1	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-68.7	-37.4	177.1	-175.4	177.7	-177.4	0	0	111.2	L308 E314 T315	L308-E311 HydrophobicContact CB-CB 4.47Å; L308-E311 WeakPolarHBondContact CD2-OE2 3.4Å; L308-E311 PolarHBondContact O-N 3.38Å; E311-E314 PolarHBondContact O-N 3.47Å; E311-T315 WeakPolarHBondContact O-CB 3.39Å; E311-T315 PolarHBondContact O-N 3.32Å; E311-T315 PolarHBondContact O-OG1 3.22Å
312	H	88.1	Confident	81.8	Confident	23 Å²	23	88.4 Å²	88.4	11%	0.106	42%	0.415	C	S	.	.	H	α-helix	trans	-61.6	-48.9	174.4	-171.5	84.9	0	0	0	111.5	L299 S302 L308 E314 T315 L316 Y349	L299-H312 VanDerWaalsContact CD2-CE1 3.44Å; L299-H312 WeakPolarHBondContact CD2-CE1 3.45Å; S302-H312 PolarHBondContact OG-ND1 2.91Å; L308-H312 VanDerWaalsContact O-CB 3.3Å; L308-H312 WeakPolarHBondContact O-CB 3.42Å; L308-H312 PolarHBondContact O-N 3.11Å; H312-E314 VanDerWaalsContact C-N 3.33Å; H312-E314 PolarHBondContact O-N 3.1Å; H312-T315 PolarHBondContact O-N 3.12Å; H312-L316 WeakPolarHBondContact O-CB 3.47Å; H312-L316 PolarHBondContact O-N 3.35Å; H312-Y349 AromaticContact CE1-CD1 3.65Å; H312-Y349 AromaticContact NE2-CD1 3.86Å
313	K	89.8	Confident	82.8	Confident	109 Å²	109	87.6 Å²	87.6	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-59.5	-42.1	176.4	-77.2	171.3	177.9	165.9	0	112.5	E309 K317	E309-K313 VanDerWaalsContact O-CG 3.32Å; E309-K313 WeakPolarHBondContact O-CG 3.4Å; E309-K313 PolarHBondContact O-N 2.89Å; E309-K313 VanDerWaalsContact O-N 3.12Å; E309-K313 WeakPolarHBondContact OE1-CE 3.46Å; E309-K313 IonicContact OE1-NZ 2.93Å; E309-K313 PolarHBondContact OE1-NZ 3.39Å; K313-K317 WeakPolarHBondContact O-CB 3.34Å; K313-K317 PolarHBondContact O-N 3.49Å
314	E	92.6	Very high	84.7	Confident	68 Å²	68	87 Å²	87	32%	0.318	41%	0.408	S	S	.	.	H	α-helix	trans	-67.6	-41.7	178.2	179.7	62.8	-167.3	0	0	111.9	Q310 E311 H312 K317 R318	Q310-E314 PolarHBondContact O-N 3.28Å; Q310-E314 VanDerWaalsContact O-N 3.1Å; E311-E314 PolarHBondContact O-N 3.47Å; H312-E314 VanDerWaalsContact C-N 3.33Å; H312-E314 PolarHBondContact O-N 3.1Å; E314-K317 PolarHBondContact O-N 2.92Å; E314-R318 WeakPolarHBondContact O-CG 3.39Å; E314-R318 PolarHBondContact O-N 3.08Å; E314-R318 IonicContact OE1-CZ 3.83Å; E314-R318 IonicContact OE1-NE 3.33Å; E314-R318 PolarHBondContact OE1-NE 3.31Å; E314-R318 IonicContact OE1-NH2 3Å; E314-R318 PolarHBondContact OE1-NH2 3.04Å
315	T	94.1	Very high	86.6	Confident	18 Å²	18	81.5 Å²	81.5	11%	0.11	38%	0.383	C	S	.	.	H	α-helix	trans	-62.2	-46.9	176.4	-57.8	0	0	0	0	111.5	Y295 A298 L299 E311 H312 K317 R318 A319	Y295-T315 HydrophobicContact CD1-CG2 3.9Å; Y295-T315 HydrophobicContact CG-CG2 4.18Å; A298-T315 HydrophobicContact CB-CG2 4.2Å; L299-T315 HydrophobicContact CD1-CG2 4.44Å; L299-T315 HydrophobicContact CD2-CG2 3.96Å; L299-T315 HydrophobicContact CG-CG2 3.81Å; E311-T315 WeakPolarHBondContact O-CB 3.39Å; E311-T315 PolarHBondContact O-N 3.32Å; E311-T315 PolarHBondContact O-OG1 3.22Å; H312-T315 PolarHBondContact O-N 3.12Å; T315-K317 VanDerWaalsContact C-N 3.33Å; T315-K317 PolarHBondContact O-N 3.47Å; T315-R318 PolarHBondContact O-N 3.16Å; T315-A319 PolarHBondContact O-N 3.34Å
316	L	95.6	Very high	88.6	Confident	14 Å²	14	74.6 Å²	74.6	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-46.2	176.5	177.2	60.4	0	0	0	111.2	L299 H312 R318 A319 L320 L345 Y349	L299-L316 HydrophobicContact CD1-CB 4.33Å; L299-L316 HydrophobicContact CD1-CD1 4.11Å; L299-L316 HydrophobicContact CD2-CB 4.06Å; H312-L316 WeakPolarHBondContact O-CB 3.47Å; H312-L316 PolarHBondContact O-N 3.35Å; L316-R318 VanDerWaalsContact C-N 3.35Å; L316-R318 PolarHBondContact O-N 2.86Å; L316-A319 PolarHBondContact O-N 3.04Å; L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CG 4.12Å; L316-L320 HydrophobicContact CG-CD1 4Å; L316-L320 HydrophobicContact CG-CG 4.47Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.21Å; L316-L345 HydrophobicContact CD1-CB 3.88Å; L316-Y349 WeakPolarHBondContact CD2-O 3.39Å
317	K	96.6	Very high	90.8	Very high	113 Å²	113	66 Å²	66	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-56.9	-47.5	178.1	-175.4	-173.2	174.8	-158.1	0	111.7	K313 E314 T315 A319 L320 E321	K313-K317 WeakPolarHBondContact O-CB 3.34Å; K313-K317 PolarHBondContact O-N 3.49Å; E314-K317 PolarHBondContact O-N 2.92Å; T315-K317 VanDerWaalsContact C-N 3.33Å; T315-K317 PolarHBondContact O-N 3.47Å; K317-A319 PolarHBondContact O-N 3.01Å; K317-L320 PolarHBondContact O-N 3.41Å; K317-E321 WeakPolarHBondContact CE-OE1 3.3Å; K317-E321 IonicContact NZ-OE1 3.12Å; K317-E321 WeakPolarHBondContact O-CG 3.39Å; K317-E321 PolarHBondContact O-N 3.44Å
318	R	97.1	Very high	92.7	Very high	96 Å²	96	63.9 Å²	63.9	36%	0.362	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-41.3	178.7	-70.2	175.6	-173.2	-177.6	3.1	112.6	Y295 E314 T315 L316 E321 I322	Y295-R318 HydrophobicContact CD2-CB 4.03Å; Y295-R318 HydrophobicContact CE2-CB 3.66Å; E314-R318 WeakPolarHBondContact O-CG 3.39Å; E314-R318 PolarHBondContact O-N 3.08Å; E314-R318 IonicContact OE1-CZ 3.83Å; E314-R318 IonicContact OE1-NE 3.33Å; E314-R318 PolarHBondContact OE1-NE 3.31Å; E314-R318 IonicContact OE1-NH2 3Å; E314-R318 PolarHBondContact OE1-NH2 3.04Å; T315-R318 PolarHBondContact O-N 3.16Å; L316-R318 VanDerWaalsContact C-N 3.35Å; L316-R318 PolarHBondContact O-N 2.86Å; R318-E321 PolarHBondContact O-N 3.31Å; R318-I322 WeakPolarHBondContact O-CG1 3.45Å; R318-I322 PolarHBondContact O-N 3.26Å; R318-I322 VanDerWaalsContact O-N 3.08Å
319	A	97.9	Very high	94.2	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-43.8	176.8	0	0	0	0	0	111.7	F292 Y295 T315 L316 K317 I322 C323 L345	F292-A319 HydrophobicContact CD2-CB 4.26Å; F292-A319 HydrophobicContact CE2-CB 4.44Å; Y295-A319 HydrophobicContact CD2-CB 4.37Å; T315-A319 PolarHBondContact O-N 3.34Å; L316-A319 PolarHBondContact O-N 3.04Å; K317-A319 PolarHBondContact O-N 3.01Å; A319-I322 PolarHBondContact O-N 3.21Å; A319-C323 PolarHBondContact O-N 2.76Å; A319-C323 PolarHBondContact O-SG 3.36Å; A319-L345 HydrophobicContact CB-CD1 3.54Å
320	L	98.3	Very high	95.2	Very high	45 Å²	45	65.4 Å²	65.4	24%	0.236	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-39.7	177.6	-65.8	173.4	0	0	0	112.6	L316 K317 I322 C323 E324 G342 L345 Q346	L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CG 4.12Å; L316-L320 HydrophobicContact CG-CD1 4Å; L316-L320 HydrophobicContact CG-CG 4.47Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.21Å; K317-L320 PolarHBondContact O-N 3.41Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 2.94Å; L320-C323 WeakPolarHBondContact O-CB 3.38Å; L320-C323 PolarHBondContact O-N 2.93Å; L320-E324 PolarHBondContact O-N 3.48Å; L320-G342 VanDerWaalsContact CD2-O 3.26Å; L320-G342 WeakPolarHBondContact CD2-O 3.44Å; L320-L345 HydrophobicContact CD2-CB 4.4Å; L320-Q346 VanDerWaalsContact CD1-OE1 3.25Å
321	E	98.3	Very high	96	Very high	109 Å²	109	59.3 Å²	59.3	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-39.8	173.6	-75.5	174.6	177.8	0	0	111.5	K317 R318 E324 L325	K317-E321 WeakPolarHBondContact CE-OE1 3.3Å; K317-E321 IonicContact NZ-OE1 3.12Å; K317-E321 WeakPolarHBondContact O-CG 3.39Å; K317-E321 PolarHBondContact O-N 3.44Å; R318-E321 PolarHBondContact O-N 3.31Å; E321-E324 PolarHBondContact O-N 3.43Å; E321-L325 WeakPolarHBondContact O-CB 3.47Å; E321-L325 PolarHBondContact O-N 3.06Å
322	I	98.4	Very high	96.6	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.077	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-45.7	174.6	-71.7	171.8	0	0	0	111.4	L288 L291 F292 Y295 R318 A319 L320 E324 L325 L326	L288-I322 HydrophobicContact CB-CG2 4.16Å; L288-I322 WeakPolarHBondContact O-CG2 3.44Å; L291-I322 HydrophobicContact CB-CD1 3.66Å; L291-I322 HydrophobicContact CD1-CD1 4.48Å; F292-I322 HydrophobicContact CB-CG2 3.88Å; Y295-I322 HydrophobicContact CD2-CD1 3.93Å; Y295-I322 HydrophobicContact CE2-CD1 3.67Å; R318-I322 WeakPolarHBondContact O-CG1 3.45Å; R318-I322 PolarHBondContact O-N 3.26Å; R318-I322 VanDerWaalsContact O-N 3.08Å; A319-I322 PolarHBondContact O-N 3.21Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 2.94Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.92Å; I322-L325 PolarHBondContact O-N 3.19Å; I322-L326 HydrophobicContact CG2-CD1 3.48Å; I322-L326 VanDerWaalsContact CG2-CD1 3.48Å; I322-L326 HydrophobicContact CG2-CG 4.2Å; I322-L326 WeakPolarHBondContact O-CB 3.42Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 3.47Å
323	C	98.7	Very high	97.1	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-45.2	176.4	-71	0	0	0	0	111.6	F292 A319 L320 L326 A327	F292-C323 WeakPolarHBondContact CD2-SG 3.49Å; F292-C323 WeakPolarHBondContact CE2-SG 3.42Å; A319-C323 PolarHBondContact O-N 2.76Å; A319-C323 PolarHBondContact O-SG 3.36Å; L320-C323 WeakPolarHBondContact O-CB 3.38Å; L320-C323 PolarHBondContact O-N 2.93Å; C323-L326 PolarHBondContact O-N 2.68Å; C323-A327 WeakPolarHBondContact O-CB 3.28Å; C323-A327 PolarHBondContact O-N 3.04Å
324	E	98.5	Very high	97.6	Very high	91 Å²	91	63.6 Å²	63.6	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-46.9	179.7	-174	73.1	150.7	0	0	111.4	L320 E321 I322 L326 A327 Q328	L320-E324 PolarHBondContact O-N 3.48Å; E321-E324 PolarHBondContact O-N 3.43Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.92Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.1Å; E324-A327 PolarHBondContact O-N 3.34Å; E324-Q328 HydrophobicContact CG-CG 4.31Å; E324-Q328 WeakPolarHBondContact O-CB 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.34Å; E324-Q328 PolarHBondContact O-N 3.33Å; E324-Q328 PolarHBondContact OE1-NE2 3.15Å; E324-Q328 PolarHBondContact OE2-NE2 3.36Å
325	L	98.3	Very high	97.8	Very high	53 Å²	53	64.7 Å²	64.7	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177.9	-178.9	62.7	0	0	0	112.1	L288 E321 I322 E329 K330	L288-L325 HydrophobicContact CD1-CD2 3.81Å; L288-L325 HydrophobicContact CD1-CG 4.29Å; L288-L325 HydrophobicContact CD2-CD2 4.27Å; E321-L325 WeakPolarHBondContact O-CB 3.47Å; E321-L325 PolarHBondContact O-N 3.06Å; I322-L325 PolarHBondContact O-N 3.19Å; L325-E329 HydrophobicContact CD1-CB 4.19Å; L325-E329 HydrophobicContact CD1-CG 4.43Å; L325-E329 PolarHBondContact O-N 2.85Å; L325-K330 HydrophobicContact CD1-CG 4.04Å; L325-K330 HydrophobicContact CD2-CG 4.4Å; L325-K330 HydrophobicContact CG-CG 3.81Å; L325-K330 PolarHBondContact O-N 3.45Å
326	L	98.6	Very high	98.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-67	-43.9	175.7	-74.8	166	0	0	0	111.6	P285 L288 I322 C323 E324 Q328 K330 D331 W338	P285-L326 HydrophobicContact CB-CD2 4.14Å; L288-L326 HydrophobicContact CB-CD1 4.09Å; L288-L326 HydrophobicContact CB-CD2 3.89Å; L288-L326 HydrophobicContact CB-CG 4.09Å; L288-L326 HydrophobicContact CD1-CD2 4.1Å; L288-L326 HydrophobicContact CD1-CG 4.4Å; I322-L326 HydrophobicContact CG2-CD1 3.48Å; I322-L326 VanDerWaalsContact CG2-CD1 3.48Å; I322-L326 HydrophobicContact CG2-CG 4.2Å; I322-L326 WeakPolarHBondContact O-CB 3.42Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 3.47Å; C323-L326 PolarHBondContact O-N 2.68Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.1Å; L326-Q328 PolarHBondContact O-N 3.15Å; L326-K330 HydrophobicContact CD2-CB 4.08Å; L326-D331 HydrophobicContact CB-CB 4.39Å; L326-D331 HydrophobicContact CD2-CB 3.82Å; L326-D331 CarbonylContact O-C 3.1Å; L326-D331 WeakPolarHBondContact O-CA 3.13Å; L326-D331 PolarHBondContact O-N 2.95Å; L326-W338 HydrophobicContact CB-CB 4.37Å; L326-W338 HydrophobicContact CB-CD2 3.76Å; L326-W338 HydrophobicContact CB-CE3 4.48Å; L326-W338 HydrophobicContact CB-CG 3.65Å; L326-W338 HydrophobicContact CD1-CD2 3.7Å; L326-W338 HydrophobicContact CD1-CE3 3.73Å; L326-W338 HydrophobicContact CD1-CG 4.48Å; L326-W338 HydrophobicContact CD1-CH2 3.7Å; L326-W338 HydrophobicContact CD1-CZ2 3.65Å; L326-W338 HydrophobicContact CD1-CZ3 3.73Å; L326-W338 HydrophobicContact CD2-CZ2 4.47Å; L326-W338 HydrophobicContact CG-CD2 4.32Å; L326-W338 HydrophobicContact CG-CZ2 4.49Å
327	A	98.6	Very high	98.2	Very high	2 Å²	2	74 Å²	74	2%	0.017	34%	0.343	C	S	.	.	I	π-helix	trans	-66.7	-36.5	-179.1	0	0	0	0	0	113.4	C323 E324 K335 W338 Q339	C323-A327 WeakPolarHBondContact O-CB 3.28Å; C323-A327 PolarHBondContact O-N 3.04Å; E324-A327 PolarHBondContact O-N 3.34Å; A327-K335 HydrophobicContact CB-CG 4.18Å; A327-W338 HydrophobicContact CB-CB 3.95Å; A327-Q339 HydrophobicContact CB-CG 4.07Å
328	Q	98.1	Very high	98.3	Very high	114 Å²	114	69 Å²	69	53%	0.533	32%	0.321	S	S	.	.	I	π-helix	trans	-96.6	-33.1	-172.1	-64.1	-165.3	-6.8	0	0	114	E324 L326 T332	E324-Q328 HydrophobicContact CG-CG 4.31Å; E324-Q328 WeakPolarHBondContact O-CB 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.34Å; E324-Q328 PolarHBondContact O-N 3.33Å; E324-Q328 PolarHBondContact OE1-NE2 3.15Å; E324-Q328 PolarHBondContact OE2-NE2 3.36Å; L326-Q328 PolarHBondContact O-N 3.15Å; Q328-T332 WeakPolarHBondContact O-CG2 3.4Å
329	E	97.9	Very high	98.4	Very high	130 Å²	130	67 Å²	67	61%	0.607	32%	0.315	S	S	*	.	I	π-helix	trans	-129.7	-43.4	-168.4	-62.3	-176.7	-152.1	0	0	114.3	L325	L325-E329 HydrophobicContact CD1-CB 4.19Å; L325-E329 HydrophobicContact CD1-CG 4.43Å; L325-E329 PolarHBondContact O-N 2.85Å
330	K	97.5	Very high	98.4	Very high	104 Å²	104	72.3 Å²	72.3	45%	0.452	34%	0.338	S	S	.	.	I	π-helix	trans	-100.3	-26.7	-163.1	-60.1	-63.6	-178.9	-177.5	0	115	P285 L288 L325 L326	P285-K330 WeakPolarHBondContact CG-O 3.39Å; L288-K330 HydrophobicContact CD1-CB 4.04Å; L288-K330 HydrophobicContact CD1-CG 3.84Å; L325-K330 HydrophobicContact CD1-CG 4.04Å; L325-K330 HydrophobicContact CD2-CG 4.4Å; L325-K330 HydrophobicContact CG-CG 3.81Å; L325-K330 PolarHBondContact O-N 3.45Å; L326-K330 HydrophobicContact CD2-CB 4.08Å
331	D	98.3	Very high	98.4	Very high	14 Å²	14	70.9 Å²	70.9	8%	0.075	33%	0.331	C	S	.	.			trans	-146.2	52.7	-179.2	-168.5	23.4	0	0	0	111.6	P285 L326 I333 R334 W338	P285-D331 HydrophobicContact CB-CB 4.25Å; L326-D331 HydrophobicContact CB-CB 4.39Å; L326-D331 HydrophobicContact CD2-CB 3.82Å; L326-D331 CarbonylContact O-C 3.1Å; L326-D331 WeakPolarHBondContact O-CA 3.13Å; L326-D331 PolarHBondContact O-N 2.95Å; D331-I333 PolarHBondContact O-N 2.95Å; D331-I333 VanDerWaalsContact O-N 3.13Å; D331-I333 WeakPolarHBondContact OD1-CG2 3.42Å; D331-R334 VanDerWaalsContact CG-NH1 3.28Å; D331-R334 CarbonylContact O-C 3.55Å; D331-R334 WeakPolarHBondContact O-CA 3.5Å; D331-R334 PolarHBondContact O-N 3.45Å; D331-R334 IonicContact OD1-NH1 3.51Å; D331-R334 PolarHBondContact OD1-NH1 3.18Å; D331-R334 WeakPolarHBondContact OD2-CB 3.42Å; D331-R334 VanDerWaalsContact OD2-CD 3.24Å; D331-R334 WeakPolarHBondContact OD2-CD 3.34Å; D331-R334 WeakPolarHBondContact OD2-CG 3.4Å; D331-R334 IonicContact OD2-CZ 2.87Å; D331-R334 IonicContact OD2-NE 3.79Å; D331-R334 IonicContact OD2-NH1 2.65Å; D331-R334 PolarHBondContact OD2-NH1 3.27Å; D331-W338 PolarHBondContact OD2-NE1 2.95Å
332	T	98.4	Very high	98.4	Very high	87 Å²	87	66.1 Å²	66.1	53%	0.534	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.6	-23.2	-171.5	58.3	0	0	0	0	113.7	Q328 R334 K335	Q328-T332 WeakPolarHBondContact O-CG2 3.4Å; T332-R334 PolarHBondContact O-N 3.4Å; T332-K335 VanDerWaalsContact O-CB 3.27Å; T332-K335 WeakPolarHBondContact O-CB 3.47Å; T332-K335 PolarHBondContact O-N 2.69Å; T332-K335 VanDerWaalsContact O-N 3.14Å
333	I	98.5	Very high	98.4	Very high	152 Å²	152	71.4 Å²	71.4	78%	0.779	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.7	-27.6	172.4	-169.3	61.9	0	0	0	111.9	D331	D331-I333 PolarHBondContact O-N 2.95Å; D331-I333 VanDerWaalsContact O-N 3.13Å; D331-I333 WeakPolarHBondContact OD1-CG2 3.42Å
334	R	98.6	Very high	98.3	Very high	104 Å²	104	73.1 Å²	73.1	39%	0.392	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-105.3	23	175.3	-55.4	-167.9	-172.8	91.3	-6.4	112.8	D331 T332 E336 Y337 W338	D331-R334 VanDerWaalsContact CG-NH1 3.28Å; D331-R334 CarbonylContact O-C 3.55Å; D331-R334 WeakPolarHBondContact O-CA 3.5Å; D331-R334 PolarHBondContact O-N 3.45Å; D331-R334 IonicContact OD1-NH1 3.51Å; D331-R334 PolarHBondContact OD1-NH1 3.18Å; D331-R334 WeakPolarHBondContact OD2-CB 3.42Å; D331-R334 VanDerWaalsContact OD2-CD 3.24Å; D331-R334 WeakPolarHBondContact OD2-CD 3.34Å; D331-R334 WeakPolarHBondContact OD2-CG 3.4Å; D331-R334 IonicContact OD2-CZ 2.87Å; D331-R334 IonicContact OD2-NE 3.79Å; D331-R334 IonicContact OD2-NH1 2.65Å; D331-R334 PolarHBondContact OD2-NH1 3.27Å; T332-R334 PolarHBondContact O-N 3.4Å; R334-E336 VanDerWaalsContact C-N 3.32Å; R334-E336 PolarHBondContact O-N 2.76Å; R334-Y337 WeakPolarHBondContact O-CB 3.38Å; R334-Y337 PolarHBondContact O-N 3.35Å; R334-W338 VanDerWaalsContact O-CD1 3.23Å; R334-W338 PolarHBondContact O-N 3.39Å
335	K	98.6	Very high	98.1	Very high	91 Å²	91	69 Å²	69	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-47	-50.9	-179.5	175.5	-175	173.9	-171.7	0	113.3	A327 T332 Y337 W338 Q339	A327-K335 HydrophobicContact CB-CG 4.18Å; T332-K335 VanDerWaalsContact O-CB 3.27Å; T332-K335 WeakPolarHBondContact O-CB 3.47Å; T332-K335 PolarHBondContact O-N 2.69Å; T332-K335 VanDerWaalsContact O-N 3.14Å; K335-Y337 VanDerWaalsContact C-N 3.27Å; K335-Y337 PolarHBondContact O-N 2.82Å; K335-W338 PolarHBondContact O-N 3.14Å; K335-Q339 HydrophobicContact CG-CG 4.37Å; K335-Q339 WeakPolarHBondContact O-CB 3.2Å; K335-Q339 WeakPolarHBondContact O-CG 3.4Å; K335-Q339 PolarHBondContact O-N 3.11Å
336	E	98.7	Very high	97.9	Very high	123 Å²	123	70.4 Å²	70.4	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-34	-177.6	-64.1	-55.5	137.6	0	0	112.6	R334 F340	R334-E336 VanDerWaalsContact C-N 3.32Å; R334-E336 PolarHBondContact O-N 2.76Å; E336-F340 VanDerWaalsContact O-CB 3.26Å; E336-F340 WeakPolarHBondContact O-CB 3.5Å; E336-F340 PolarHBondContact O-N 3.37Å
337	Y	98.8	Very high	97.7	Very high	106 Å²	106	76.2 Å²	76.2	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-48.7	175	171.3	-101.2	0	0	0	111.3	R334 K335 Q339 F340 L341	R334-Y337 WeakPolarHBondContact O-CB 3.38Å; R334-Y337 PolarHBondContact O-N 3.35Å; K335-Y337 VanDerWaalsContact C-N 3.27Å; K335-Y337 PolarHBondContact O-N 2.82Å; Y337-Q339 PolarHBondContact O-N 3.5Å; Y337-F340 WeakPolarHBondContact O-CB 3.46Å; Y337-F340 PolarHBondContact O-N 2.91Å; Y337-F340 VanDerWaalsContact O-N 3.17Å; Y337-L341 HydrophobicContact CD1-CD1 4.01Å; Y337-L341 HydrophobicContact CE1-CD1 3.34Å; Y337-L341 HydrophobicContact CE1-CG 4.23Å; Y337-L341 HydrophobicContact CE2-CD1 4.06Å; Y337-L341 HydrophobicContact CE2-CD2 4.43Å; Y337-L341 HydrophobicContact CE2-CG 4.22Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.6Å
338	W	98.8	Very high	97.3	Very high	8 Å²	8	81.3 Å²	81.3	3%	0.03	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-38	179.1	-66.7	119.9	0	0	0	112.7	A289 F292 L326 A327 D331 R334 K335 L341 G342	A289-W338 HydrophobicContact CB-CH2 3.54Å; A289-W338 HydrophobicContact CB-CZ2 3.92Å; F292-W338 HydrophobicContact CD1-CZ3 4.14Å; F292-W338 HydrophobicContact CG-CZ3 4.2Å; L326-W338 HydrophobicContact CB-CB 4.37Å; L326-W338 HydrophobicContact CB-CD2 3.76Å; L326-W338 HydrophobicContact CB-CE3 4.48Å; L326-W338 HydrophobicContact CB-CG 3.65Å; L326-W338 HydrophobicContact CD1-CD2 3.7Å; L326-W338 HydrophobicContact CD1-CE3 3.73Å; L326-W338 HydrophobicContact CD1-CG 4.48Å; L326-W338 HydrophobicContact CD1-CH2 3.7Å; L326-W338 HydrophobicContact CD1-CZ2 3.65Å; L326-W338 HydrophobicContact CD1-CZ3 3.73Å; L326-W338 HydrophobicContact CD2-CZ2 4.47Å; L326-W338 HydrophobicContact CG-CD2 4.32Å; L326-W338 HydrophobicContact CG-CZ2 4.49Å; A327-W338 HydrophobicContact CB-CB 3.95Å; D331-W338 PolarHBondContact OD2-NE1 2.95Å; R334-W338 VanDerWaalsContact O-CD1 3.23Å; R334-W338 PolarHBondContact O-N 3.39Å; K335-W338 PolarHBondContact O-N 3.14Å; W338-L341 HydrophobicContact CE3-CD1 3.7Å; W338-L341 HydrophobicContact CZ3-CD1 3.6Å; W338-L341 PolarHBondContact O-N 3.37Å; W338-G342 PolarHBondContact O-N 3.33Å
339	Q	98.6	Very high	97	Very high	54 Å²	54	76.3 Å²	76.3	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-37.1	173.2	-69.7	-174.7	-15.3	0	0	112.4	A327 K335 Y337 R343	A327-Q339 HydrophobicContact CB-CG 4.07Å; K335-Q339 HydrophobicContact CG-CG 4.37Å; K335-Q339 WeakPolarHBondContact O-CB 3.2Å; K335-Q339 WeakPolarHBondContact O-CG 3.4Å; K335-Q339 PolarHBondContact O-N 3.11Å; Y337-Q339 PolarHBondContact O-N 3.5Å; Q339-R343 WeakPolarHBondContact O-CG 3.29Å; Q339-R343 PolarHBondContact O-N 3.17Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NH1 3.15Å
340	F	98.6	Very high	96.2	Very high	110 Å²	110	70.3 Å²	70.3	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-49.7	172.8	164.1	-99	0	0	0	111.3	E336 Y337 G342 R343 S344	E336-F340 VanDerWaalsContact O-CB 3.26Å; E336-F340 WeakPolarHBondContact O-CB 3.5Å; E336-F340 PolarHBondContact O-N 3.37Å; Y337-F340 WeakPolarHBondContact O-CB 3.46Å; Y337-F340 PolarHBondContact O-N 2.91Å; Y337-F340 VanDerWaalsContact O-N 3.17Å; F340-G342 PolarHBondContact O-N 3.16Å; F340-R343 PolarHBondContact O-N 3.1Å; F340-S344 PolarHBondContact O-N 2.78Å; F340-S344 PolarHBondContact O-OG 2.7Å; F340-S344 VanDerWaalsContact O-OG 3.07Å
341	L	98.3	Very high	95	Very high	15 Å²	15	69.3 Å²	69.3	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-44.4	178.4	-71.5	-179.3	0	0	0	112.5	F292 Y337 W338 R343 S344 L345	F292-L341 HydrophobicContact CD1-CD1 4.3Å; F292-L341 HydrophobicContact CE1-CB 4.42Å; F292-L341 HydrophobicContact CE1-CD1 3.66Å; F292-L341 HydrophobicContact CE1-CG 4.43Å; F292-L341 HydrophobicContact CE2-CB 4.23Å; F292-L341 HydrophobicContact CZ-CB 3.77Å; F292-L341 HydrophobicContact CZ-CD1 3.85Å; F292-L341 HydrophobicContact CZ-CD2 4.41Å; F292-L341 HydrophobicContact CZ-CG 4.23Å; Y337-L341 HydrophobicContact CD1-CD1 4.01Å; Y337-L341 HydrophobicContact CE1-CD1 3.34Å; Y337-L341 HydrophobicContact CE1-CG 4.23Å; Y337-L341 HydrophobicContact CE2-CD1 4.06Å; Y337-L341 HydrophobicContact CE2-CD2 4.43Å; Y337-L341 HydrophobicContact CE2-CG 4.22Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.6Å; W338-L341 HydrophobicContact CE3-CD1 3.7Å; W338-L341 HydrophobicContact CZ3-CD1 3.6Å; W338-L341 PolarHBondContact O-N 3.37Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 3.44Å; L341-S344 WeakPolarHBondContact O-CB 3.36Å; L341-S344 PolarHBondContact O-N 3.16Å; L341-S344 VanDerWaalsContact O-N 3.14Å; L341-L345 PolarHBondContact O-N 2.82Å
342	G	97.9	Very high	92.9	Very high	10 Å²	10	74.7 Å²	74.7	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-44.1	176.1	0	0	0	0	0	112.7	L320 W338 F340 Q346	L320-G342 VanDerWaalsContact CD2-O 3.26Å; L320-G342 WeakPolarHBondContact CD2-O 3.44Å; W338-G342 PolarHBondContact O-N 3.33Å; F340-G342 PolarHBondContact O-N 3.16Å; G342-Q346 WeakPolarHBondContact O-CB 3.4Å; G342-Q346 PolarHBondContact O-N 3.37Å
343	R	97.8	Very high	90.6	Very high	126 Å²	126	71.6 Å²	71.6	48%	0.475	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.8	-71.9	-173.5	-59.7	-95.3	2.7	112.1	Q339 F340 L341 Q346 N347	Q339-R343 WeakPolarHBondContact O-CG 3.29Å; Q339-R343 PolarHBondContact O-N 3.17Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NH1 3.15Å; F340-R343 PolarHBondContact O-N 3.1Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 3.44Å; R343-Q346 PolarHBondContact O-N 2.83Å; R343-N347 WeakPolarHBondContact O-CB 3.36Å; R343-N347 PolarHBondContact O-N 2.97Å; R343-N347 PolarHBondContact O-ND2 3.32Å
344	S	96.9	Very high	88.2	Confident	42 Å²	42	69.3 Å²	69.3	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-46	179	-64.7	0	0	0	0	112.1	F340 L341 N347 K348	F340-S344 PolarHBondContact O-N 2.78Å; F340-S344 PolarHBondContact O-OG 2.7Å; F340-S344 VanDerWaalsContact O-OG 3.07Å; L341-S344 WeakPolarHBondContact O-CB 3.36Å; L341-S344 PolarHBondContact O-N 3.16Å; L341-S344 VanDerWaalsContact O-N 3.14Å; S344-N347 PolarHBondContact O-N 3.39Å; S344-K348 WeakPolarHBondContact O-CB 3.36Å; S344-K348 PolarHBondContact O-N 2.93Å
345	L	95.1	Very high	85.5	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-45.3	174.9	-73.9	-172.5	0	0	0	112.1	F292 E296 L299 L316 A319 L320 L341 N347 K348 Y349	F292-L345 HydrophobicContact CD2-CD1 4.33Å; F292-L345 HydrophobicContact CE2-CD1 3.38Å; F292-L345 HydrophobicContact CE2-CG 4.2Å; F292-L345 HydrophobicContact CZ-CD1 3.8Å; F292-L345 HydrophobicContact CZ-CG 4.19Å; E296-L345 HydrophobicContact CB-CD2 4.42Å; E296-L345 HydrophobicContact CG-CD2 4.08Å; L299-L345 HydrophobicContact CD1-CD1 4.37Å; L299-L345 HydrophobicContact CD1-CD2 4.12Å; L316-L345 HydrophobicContact CD1-CB 3.88Å; A319-L345 HydrophobicContact CB-CD1 3.54Å; L320-L345 HydrophobicContact CD2-CB 4.4Å; L341-L345 PolarHBondContact O-N 2.82Å; L345-N347 VanDerWaalsContact C-N 3.3Å; L345-N347 PolarHBondContact O-N 3.21Å; L345-K348 PolarHBondContact O-N 3.31Å; L345-Y349 HydrophobicContact CD2-CD2 3.81Å; L345-Y349 HydrophobicContact CD2-CE2 3.76Å; L345-Y349 WeakPolarHBondContact O-CB 3.18Å; L345-Y349 PolarHBondContact O-N 3.28Å
346	Q	94.1	Very high	82.8	Confident	84 Å²	84	69 Å²	69	39%	0.393	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-39.8	179.2	-175.1	63.4	41.6	0	0	111.9	L320 G342 R343 G350	L320-Q346 VanDerWaalsContact CD1-OE1 3.25Å; G342-Q346 WeakPolarHBondContact O-CB 3.4Å; G342-Q346 PolarHBondContact O-N 3.37Å; R343-Q346 PolarHBondContact O-N 2.83Å; Q346-G350 WeakPolarHBondContact O-CA 3.34Å; Q346-G350 PolarHBondContact O-N 2.6Å
347	N	93.1	Very high	80.2	Confident	122 Å²	122	71.3 Å²	71.3	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-68.8	-37.8	178.3	-71.2	-15.3	0	0	0	112.3	R343 S344 L345 G353	R343-N347 WeakPolarHBondContact O-CB 3.36Å; R343-N347 PolarHBondContact O-N 2.97Å; R343-N347 PolarHBondContact O-ND2 3.32Å; S344-N347 PolarHBondContact O-N 3.39Å; L345-N347 VanDerWaalsContact C-N 3.3Å; L345-N347 PolarHBondContact O-N 3.21Å; N347-G353 WeakPolarHBondContact O-CA 3.29Å
348	K	91.9	Very high	77.4	Confident	109 Å²	109	74.9 Å²	74.9	47%	0.474	39%	0.392	S	S	.	.	H	α-helix	trans	-82.2	-36.9	-175.9	-168.1	174	177.2	-164	0	112.9	E300 S344 L345	E300-K348 IonicContact OE1-NZ 3.93Å; E300-K348 PolarHBondContact OE1-NZ 2.93Å; S344-K348 WeakPolarHBondContact O-CB 3.36Å; S344-K348 PolarHBondContact O-N 2.93Å; L345-K348 PolarHBondContact O-N 3.31Å
349	Y	89.8	Confident	74.5	Confident	9 Å²	9	80.1 Å²	80.1	4%	0.035	42%	0.424	C	S	.	.	H	α-helix	trans	-122.4	-5.2	-170	-57.5	-65.5	0	0	0	114.5	L299 E300 F303 H312 L316 L345	L299-Y349 HydrophobicContact CB-CD1 4.27Å; L299-Y349 HydrophobicContact CB-CD2 4.07Å; L299-Y349 HydrophobicContact CB-CE1 4.16Å; L299-Y349 HydrophobicContact CB-CE2 3.96Å; L299-Y349 HydrophobicContact CB-CG 4.22Å; L299-Y349 HydrophobicContact CD1-CD2 4.05Å; L299-Y349 HydrophobicContact CD1-CE2 4.49Å; L299-Y349 HydrophobicContact CD1-CG 4.48Å; E300-Y349 WeakPolarHBondContact CG-OH 3.47Å; F303-Y349 HydrophobicContact CB-CE1 4.35Å; F303-Y349 HydrophobicContact CD2-CD1 4.08Å; F303-Y349 HydrophobicContact CD2-CE1 4.13Å; F303-Y349 HydrophobicContact CG-CE1 4.39Å; H312-Y349 AromaticContact CE1-CD1 3.65Å; H312-Y349 AromaticContact NE2-CD1 3.86Å; L316-Y349 WeakPolarHBondContact CD2-O 3.39Å; L345-Y349 HydrophobicContact CD2-CD2 3.81Å; L345-Y349 HydrophobicContact CD2-CE2 3.76Å; L345-Y349 WeakPolarHBondContact O-CB 3.18Å; L345-Y349 PolarHBondContact O-N 3.28Å
350	G	83.1	Confident	71.4	Confident	3 Å²	3	86.9 Å²	86.9	3%	0.031	45%	0.453	C	S	.	.	S	Bend	trans	-70.2	169	174.9	0	0	0	0	0	112.6	Q346 D352 G353	Q346-G350 WeakPolarHBondContact O-CA 3.34Å; Q346-G350 PolarHBondContact O-N 2.6Å; G350-D352 PolarHBondContact O-N 3.5Å; G350-D352 VanDerWaalsContact O-N 3.08Å; G350-G353 PolarHBondContact O-N 3.34Å
351	A	70.3	Confident	68.4	Low	83 Å²	83	87.3 Å²	87.3	69%	0.686	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.8	-178.1	0	0	0	0	0	114.2
352	D	54.4	Low	65.5	Low	128 Å²	128	91 Å²	91	68%	0.684	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-13.8	178.4	-62.4	-35.9	0	0	0	113.9	G350 S355 N356	G350-D352 PolarHBondContact O-N 3.5Å; G350-D352 VanDerWaalsContact O-N 3.08Å; D352-S355 PolarHBondContact O-OG 3.44Å; D352-S355 VanDerWaalsContact O-OG 3.13Å; D352-N356 PolarHBondContact O-ND2 3.27Å
353	G	50.1	Low	62.6	Low	21 Å²	21	99.6 Å²	99.6	22%	0.216	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-31.9	176.8	0	0	0	0	0	112.6	N347 G350 S355	N347-G353 WeakPolarHBondContact O-CA 3.29Å; G350-G353 PolarHBondContact O-N 3.34Å; G353-S355 PolarHBondContact O-N 2.87Å
354	L	49.3	Very low	59.7	Low	104 Å²	104	99.8 Å²	99.8	55%	0.545	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-16.7	178.7	-73.6	161.1	0	0	0	113.7	F303	F303-L354 HydrophobicContact CE2-CD2 3.81Å; F303-L354 HydrophobicContact CZ-CD2 4.44Å
355	S	42	Very low	57.2	Low	69 Å²	69	107.1 Å²	107.1	48%	0.483	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.7	-12.8	-176.9	58.7	0	0	0	0	114.5	D352 G353	D352-S355 PolarHBondContact O-OG 3.44Å; D352-S355 VanDerWaalsContact O-OG 3.13Å; G353-S355 PolarHBondContact O-N 2.87Å
356	N	40.6	Very low	54.5	Low	120 Å²	120	115.9 Å²	115.9	64%	0.642	62%	0.623	S	S	*	*	S	Bend	trans	-97.6	-8.7	-169.9	-82.1	-34.8	0	0	0	115.5	D352	D352-N356 PolarHBondContact O-ND2 3.27Å
357	E	45.3	Very low	52	Low	172 Å²	172	116.3 Å²	116.3	80%	0.804	64%	0.641	S	S	*	*	S	Bend	trans	-95.2	-8	175.6	-83.2	-159.2	154.8	0	0	115	T359	E357-T359 VanDerWaalsContact C-N 3.28Å; E357-T359 PolarHBondContact O-N 3.33Å
358	E	39.2	Very low	49.7	Very low	181 Å²	181	120 Å²	120	85%	0.846	68%	0.676	S	S	*	*	S	Bend	trans	-79.6	-0.9	176.9	-80.1	-167.1	159.3	0	0	114.7
359	T	38	Very low	47.6	Very low	117 Å²	117	120.6 Å²	120.6	72%	0.718	69%	0.687	S	S	*	*			trans	-113.3	69.2	178.4	36.6	0	0	0	0	112.7	E357 P361	E357-T359 VanDerWaalsContact C-N 3.28Å; E357-T359 PolarHBondContact O-N 3.33Å; T359-P361 WeakPolarHBondContact O-CD 3.3Å
360	K	33.5	Very low	45.4	Very low	196 Å²	196	126.5 Å²	126.5	85%	0.852	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-75	119.1	150	-90.3	-177	176.1	176.9	0	108.3	A362	K360-A362 PolarHBondContact O-N 3.24Å
361	P	35.8	Very low	43.3	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.7	172.8	-5.2	19.5	0	0	0	108.7	T359 E363	T359-P361 WeakPolarHBondContact O-CD 3.3Å; P361-E363 PolarHBondContact O-N 3Å
362	A	37.5	Very low	41.7	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-56.3	119.3	170.6	0	0	0	0	0	109.6	K360 T364	K360-A362 PolarHBondContact O-N 3.24Å; A362-T364 PolarHBondContact O-N 3.2Å; A362-T364 VanDerWaalsContact O-N 3.11Å
363	E	37.3	Very low	41	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	77%	0.768	S	S	*	*			trans	-56.7	115.8	169.4	-78.3	180	161.7	0	0	108.9	P361 Q365	P361-E363 PolarHBondContact O-N 3Å; E363-Q365 PolarHBondContact O-N 2.83Å
364	T	37.4	Very low	40.3	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	81%	0.805	S	S	*	*			trans	-74.6	109.8	174.4	-16.9	0	0	0	0	107.1	A362 E366	A362-T364 PolarHBondContact O-N 3.2Å; A362-T364 VanDerWaalsContact O-N 3.11Å; T364-E366 PolarHBondContact O-N 3.31Å; T364-E366 VanDerWaalsContact O-N 3.15Å
365	Q	42.8	Very low	39.7	Very low	197 Å²	197	147.4 Å²	147.4	92%	0.921	82%	0.824	S	S	*	*			trans	-66.4	104.4	163.5	-77.9	179.3	-12.5	0	0	108.3	E363	E363-Q365 PolarHBondContact O-N 2.83Å
366	E	38.3	Very low	39.5	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	85%	0.85	S	S	*	*			trans	-99.7	119	158.4	-89.8	-171.3	166.1	0	0	109.5	T364	T364-E366 PolarHBondContact O-N 3.31Å; T364-E366 VanDerWaalsContact O-N 3.15Å
367	A	42.8	Very low	39.4	Very low	94 Å²	94	156.3 Å²	156.3	78%	0.777	87%	0.867	S	S	*	*			trans	-73.6	132.8	169.5	0	0	0	0	0	110.2
368	S	45.3	Very low	38.9	Very low	200 Å²	200	154.8 Å²	154.8	100%	1.399	87%	0.873	S	S	*	*			trans	-164.7	0	140.4	-78	0	0	0	0	109.9

Retrieved 368 of 368 residues in 185.9 ms (Link to these results)

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