A0A5K4F0F1_SCHMA Loading...

Cornifelin

AlphaFold DB , UniProt , Accession A0A5K4F0F1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 115 aa.

						>A0A5K4F0F1_SCHMA|A0A5K4F0F1
MGEQVVTSQPISGTIEETREWESGLFQCTNDPASCCLALFCPCPYLCYLYSYANEPCWLPCIGAGTGPLRMRQRFRHKIKGSITNDFVLSCICTQCVMCQLKRDMDYVIKNDGDV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.2	Low	71.3	Confident	247 Å²	247	145.5 Å²	145.5	100%	1.217	82%	0.822	S	S	*	*				0	127.6	0	-70.8	174.5	-169	0	0	106.4
2	G	74.5	Confident	70.3	Confident	83 Å²	83	140.1 Å²	140.1	86%	0.856	80%	0.801	S	S	*	*			trans	-70.2	140.5	-169.5	0	0	0	0	0	112.9
3	E	77.6	Confident	69.4	Low	183 Å²	183	134.1 Å²	134.1	86%	0.855	79%	0.788	S	S	*	*			trans	-77.4	121.5	177.7	-164.8	167.4	130.1	0	0	109.7	V5	E3-V5 PolarHBondContact O-N 3.37Å
4	Q	71.8	Confident	68.7	Low	175 Å²	175	131.9 Å²	131.9	82%	0.818	78%	0.778	S	S	*	*			trans	-77.9	110.8	173.3	-111.6	-175.2	-18.1	0	0	108.9	V6	Q4-V6 PolarHBondContact O-N 3.15Å; Q4-V6 VanDerWaalsContact O-N 3.15Å
5	V	79.3	Confident	68.6	Low	129 Å²	129	133.8 Å²	133.8	78%	0.782	78%	0.781	S	S	*	*			trans	-78	95.6	167.9	-179.6	0	0	0	0	108	E3 T7	E3-V5 PolarHBondContact O-N 3.37Å; V5-T7 PolarHBondContact O-N 3.33Å
6	V	77.1	Confident	68.7	Low	119 Å²	119	133.8 Å²	133.8	72%	0.721	77%	0.771	S	S	*	*			trans	-79.3	100.8	169.3	-179.1	0	0	0	0	107.6	Q4 S8	Q4-V6 PolarHBondContact O-N 3.15Å; Q4-V6 VanDerWaalsContact O-N 3.15Å; V6-S8 PolarHBondContact O-N 3.26Å
7	T	75.9	Confident	69.7	Low	113 Å²	113	136.4 Å²	136.4	69%	0.693	77%	0.774	S	S	*	*			trans	-76.9	108.3	166.2	-177.1	0	0	0	0	108.3	V5 Q9	V5-T7 PolarHBondContact O-N 3.33Å; T7-Q9 PolarHBondContact O-N 3.2Å
8	S	74	Confident	71	Confident	103 Å²	103	132.7 Å²	132.7	72%	0.72	76%	0.755	S	S	*	*			trans	-68.2	111.4	161.9	45.6	0	0	0	0	107.2	V6	V6-S8 PolarHBondContact O-N 3.26Å
9	Q	73.4	Confident	72.2	Confident	166 Å²	166	128.5 Å²	128.5	78%	0.776	73%	0.726	S	S	*	*			trans	-62.2	136.8	162.4	-64.5	-174.5	-58.1	0	0	106.7	T7 I11	T7-Q9 PolarHBondContact O-N 3.2Å; Q9-I11 PolarHBondContact O-N 3.02Å
10	P	62.7	Low	73.5	Confident	117 Å²	117	127.9 Å²	127.9	76%	0.76	72%	0.717	S	S	*	*			trans	-54.4	122.6	172.1	21.6	-29.6	0	0	0	107.1	S12	P10-S12 PolarHBondContact O-N 2.75Å
11	I	61.7	Low	74.6	Confident	165 Å²	165	123.3 Å²	123.3	85%	0.846	69%	0.688	S	S	*	*			trans	-59.7	97.6	166.4	-67.4	176.2	0	0	0	104	Q9 G13	Q9-I11 PolarHBondContact O-N 3.02Å; I11-G13 PolarHBondContact O-N 2.77Å
12	S	59.8	Low	76.5	Confident	81 Å²	81	115.8 Å²	115.8	57%	0.566	65%	0.65	S	S	*	*			trans	-73.7	60.2	175.9	-168.1	0	0	0	0	108.3	P10 T14	P10-S12 PolarHBondContact O-N 2.75Å; S12-T14 PolarHBondContact OG-OG1 3.09Å
13	G	57.9	Low	77.5	Confident	62 Å²	62	112.2 Å²	112.2	64%	0.639	61%	0.612	S	S	*	*			trans	-83.3	2.4	163.3	0	0	0	0	0	111.4	I11 I15	I11-G13 PolarHBondContact O-N 2.77Å; G13-I15 PolarHBondContact O-N 2.86Å; G13-I15 VanDerWaalsContact O-N 3.09Å
14	T	59.8	Low	78.4	Confident	104 Å²	104	105 Å²	105	64%	0.638	59%	0.587	S	S	*	*	S	Bend	trans	-60.1	113.9	160.1	43.4	0	0	0	0	106.7	S12 E16	S12-T14 PolarHBondContact OG-OG1 3.09Å; T14-E16 VanDerWaalsContact C-N 3.34Å; T14-E16 PolarHBondContact O-N 3.49Å
15	I	67.9	Low	79.6	Confident	160 Å²	160	97.5 Å²	97.5	82%	0.821	55%	0.552	S	S	*	*			trans	-46.4	107.5	161.4	-62.4	168.7	0	0	0	104.7	G13 E17	G13-I15 PolarHBondContact O-N 2.86Å; G13-I15 VanDerWaalsContact O-N 3.09Å; I15-E17 PolarHBondContact O-N 2.99Å
16	E	69.2	Low	80.3	Confident	134 Å²	134	98.3 Å²	98.3	63%	0.626	55%	0.545	S	S	*	.			trans	-56.8	117.3	172.2	-75.7	-166.1	149.4	0	0	105.6	T14 T18	T14-E16 VanDerWaalsContact C-N 3.34Å; T14-E16 PolarHBondContact O-N 3.49Å; E16-T18 VanDerWaalsContact C-N 3.28Å; E16-T18 PolarHBondContact O-N 3.3Å
17	E	86.7	Confident	81.1	Confident	178 Å²	178	96.7 Å²	96.7	83%	0.832	53%	0.53	S	S	*	.			trans	-67.8	94.5	-179.1	-167.3	173.3	-170.6	0	0	107.6	I15	I15-E17 PolarHBondContact O-N 2.99Å
18	T	91.9	Very high	81.8	Confident	69 Å²	69	92.7 Å²	92.7	42%	0.423	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-89.8	139.5	174.7	59	0	0	0	0	109.6	E16 K78	E16-T18 VanDerWaalsContact C-N 3.28Å; E16-T18 PolarHBondContact O-N 3.3Å; T18-K78 CarbonylContact C-O 3.5Å; T18-K78 WeakPolarHBondContact CA-O 3.3Å; T18-K78 VanDerWaalsContact CB-O 3.3Å; T18-K78 WeakPolarHBondContact CB-O 3.06Å
19	R	95	Very high	82.7	Confident	54 Å²	54	92.5 Å²	92.5	20%	0.204	50%	0.501	C	S	.	.	B	Isolated β-bridge	trans	-92.4	165.8	170.2	67	171.6	-177.6	86.3	-9.4	111.7	H77 K78 I79 K80 D104 V108	R19-H77 PolarHBondContact NE-O 3.45Å; R19-H77 VanDerWaalsContact NH2-CB 3.26Å; R19-K78 PolarHBondContact N-O 3.35Å; R19-I79 HydrophobicContact CG-CG1 4.28Å; R19-I79 VanDerWaalsContact CZ-CG1 3.46Å; R19-I79 VanDerWaalsContact NH2-CD1 3.33Å; R19-I79 CarbonylContact O-C 3.43Å; R19-I79 VanDerWaalsContact O-CA 3.29Å; R19-I79 WeakPolarHBondContact O-CA 3.49Å; R19-K80 PolarHBondContact O-N 3.14Å; R19-D104 IonicContact CZ-OD1 3.5Å; R19-D104 IonicContact CZ-OD2 3.71Å; R19-D104 IonicContact NH1-OD1 2.75Å; R19-D104 PolarHBondContact NH1-OD1 2.88Å; R19-D104 IonicContact NH1-OD2 3.69Å; R19-D104 IonicContact NH2-OD1 3.25Å; R19-D104 PolarHBondContact NH2-OD1 3.38Å; R19-D104 IonicContact NH2-OD2 3.89Å; R19-D104 PolarHBondContact NH2-OD2 3.19Å; R19-V108 VanDerWaalsContact NH2-CG2 3.27Å
20	E	96.7	Very high	83.7	Confident	115 Å²	115	89.7 Å²	89.7	54%	0.537	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-85.3	166.1	166.2	-63.5	-68.5	169.6	0	0	110.3	K80	E20-K80 WeakPolarHBondContact OE1-CD 3.25Å; E20-K80 IonicContact OE1-NZ 3.33Å
21	W	97.3	Very high	85.2	Confident	32 Å²	32	85.6 Å²	85.6	12%	0.121	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-59	142.4	167.2	-69.8	92	0	0	0	109.4	S23 R70 Q73 R74 I79 Q100 L101 D104	W21-S23 PolarHBondContact O-N 2.96Å; W21-R70 HydrophobicContact CH2-CG 3.6Å; W21-R70 HydrophobicContact CZ2-CG 3.62Å; W21-Q73 HydrophobicContact CH2-CB 4.17Å; W21-Q73 HydrophobicContact CH2-CG 4.11Å; W21-Q73 HydrophobicContact CZ3-CB 4.41Å; W21-Q73 HydrophobicContact CZ3-CG 3.87Å; W21-R74 HydrophobicContact CZ2-CB 4.21Å; W21-I79 HydrophobicContact CB-CG2 4.42Å; W21-I79 HydrophobicContact CD2-CD1 4.03Å; W21-I79 HydrophobicContact CD2-CG2 3.85Å; W21-I79 HydrophobicContact CE3-CD1 3.71Å; W21-I79 HydrophobicContact CG-CG2 3.76Å; W21-I79 HydrophobicContact CH2-CD1 3.86Å; W21-I79 HydrophobicContact CZ2-CD1 4.17Å; W21-I79 HydrophobicContact CZ2-CG2 4.46Å; W21-I79 HydrophobicContact CZ3-CD1 3.62Å; W21-Q100 HydrophobicContact CE3-CG 4.33Å; W21-L101 HydrophobicContact CH2-CD2 4.13Å; W21-L101 HydrophobicContact CZ3-CD2 4.1Å; W21-D104 HydrophobicContact CE3-CB 3.88Å; W21-D104 HydrophobicContact CZ3-CB 4.06Å
22	E	95.7	Very high	86.8	Confident	90 Å²	90	81.8 Å²	81.8	42%	0.421	45%	0.449	S	S	.	.	S	Bend	trans	-58.4	-37.9	-179.1	176.6	-87.3	167.4	0	0	112.8	D104 Y107	E22-D104 PolarHBondContact N-OD1 3.3Å; E22-D104 VanDerWaalsContact N-OD1 3.14Å; E22-Y107 HydrophobicContact CB-CD1 4.05Å; E22-Y107 HydrophobicContact CB-CD2 4.11Å; E22-Y107 HydrophobicContact CB-CG 3.74Å; E22-Y107 HydrophobicContact CG-CD1 4.34Å; E22-Y107 HydrophobicContact CG-CD2 3.48Å; E22-Y107 VanDerWaalsContact CG-CD2 3.48Å; E22-Y107 HydrophobicContact CG-CE2 4.19Å; E22-Y107 HydrophobicContact CG-CG 3.57Å
23	S	96.3	Very high	88.5	Confident	8 Å²	8	81 Å²	81	6%	0.056	45%	0.447	C	S	.	.	S	Bend	trans	-132.7	159.3	-179.1	41.5	0	0	0	0	111.7	W21 Q27 Q100 R103	W21-S23 PolarHBondContact O-N 2.96Å; S23-Q27 VanDerWaalsContact CB-OE1 3.24Å; S23-Q100 PolarHBondContact O-NE2 3.4Å; S23-R103 PolarHBondContact OG-NE 2.87Å
24	G	96.1	Very high	90.4	Very high	31 Å²	31	78.3 Å²	78.3	32%	0.32	42%	0.418	S	S	.	.			trans	-68.9	157.1	173.7	0	0	0	0	0	112.4	F26 Q27 R103	G24-F26 PolarHBondContact O-N 3.12Å; G24-Q27 PolarHBondContact O-N 3.47Å; G24-R103 PolarHBondContact O-NH2 3.17Å
25	L	96.2	Very high	92.1	Very high	18 Å²	18	74.2 Å²	74.2	9%	0.094	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-46.9	-178.4	-179.3	65.3	0	0	0	112.5	Q27 L89 C96 V97	L25-Q27 VanDerWaalsContact C-N 3.28Å; L25-Q27 PolarHBondContact O-N 2.79Å; L25-L89 HydrophobicContact CD2-CB 4.31Å; L25-L89 HydrophobicContact CD2-CD1 4.13Å; L25-L89 HydrophobicContact CD2-CD2 3.74Å; L25-L89 HydrophobicContact CD2-CG 4.26Å; L25-C96 HydrophobicContact CD1-CB 3.75Å; L25-C96 HydrophobicContact CG-CB 3.83Å; L25-C96 WeakPolarHBondContact O-CB 3.4Å; L25-V97 HydrophobicContact CD1-CB 4.36Å; L25-V97 HydrophobicContact CD1-CG2 3.58Å
26	F	94.4	Very high	93.5	Very high	145 Å²	145	69.7 Å²	69.7	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	12.6	-174.8	-60.3	-69.5	0	0	0	114.2	G24 C28 C93 C96	G24-F26 PolarHBondContact O-N 3.12Å; F26-C28 PolarHBondContact O-N 3.25Å; F26-C93 HydrophobicContact CE1-CB 4.37Å; F26-C96 HydrophobicContact CD1-CB 4.46Å
27	Q	95.2	Very high	94.9	Very high	86 Å²	86	67.2 Å²	67.2	40%	0.402	37%	0.366	S	S	.	.			trans	-85.5	33.6	174.6	-65.5	178.9	-14	0	0	111.6	S23 G24 L25 T29 N30 R103	S23-Q27 VanDerWaalsContact CB-OE1 3.24Å; G24-Q27 PolarHBondContact O-N 3.47Å; L25-Q27 VanDerWaalsContact C-N 3.28Å; L25-Q27 PolarHBondContact O-N 2.79Å; Q27-T29 PolarHBondContact O-N 3.06Å; Q27-N30 WeakPolarHBondContact O-CB 3.08Å; Q27-N30 PolarHBondContact O-N 3.17Å; Q27-N30 VanDerWaalsContact O-N 3.14Å; Q27-R103 PolarHBondContact O-NH1 2.84Å; Q27-R103 PolarHBondContact O-NH2 3.31Å
28	C	90.8	Very high	95.4	Very high	29 Å²	29	58.7 Å²	58.7	20%	0.196	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.2	-177.4	52.7	0	0	0	0	112.6	F26 N30 D31 C35 C99	F26-C28 PolarHBondContact O-N 3.25Å; C28-N30 PolarHBondContact O-N 3.1Å; C28-D31 PolarHBondContact O-N 3.32Å; C28-C35 HydrophobicContact CB-CB 4.47Å; C28-C99 HydrophobicContact CB-CB 3.95Å
29	T	91.3	Very high	95.6	Very high	98 Å²	98	60.4 Å²	60.4	60%	0.601	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.8	-179.9	57.4	0	0	0	0	115	Q27 D31 P32	Q27-T29 PolarHBondContact O-N 3.06Å; T29-D31 PolarHBondContact O-N 3.11Å; T29-P32 WeakPolarHBondContact O-CD 3.47Å
30	N	94.3	Very high	95.7	Very high	107 Å²	107	65.5 Å²	65.5	57%	0.572	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-69.8	-14.4	174.7	-69.2	1.5	0	0	0	112.4	Q27 C28	Q27-N30 WeakPolarHBondContact O-CB 3.08Å; Q27-N30 PolarHBondContact O-N 3.17Å; Q27-N30 VanDerWaalsContact O-N 3.14Å; C28-N30 PolarHBondContact O-N 3.1Å
31	D	95.1	Very high	95.7	Very high	32 Å²	32	62.7 Å²	62.7	17%	0.171	35%	0.349	C	S	.	.	S	Bend	trans	-133.7	87.7	167.1	-178.2	-10.7	0	0	0	108.8	C28 T29 A33 S34 C35 R103	C28-D31 PolarHBondContact O-N 3.32Å; T29-D31 PolarHBondContact O-N 3.11Å; D31-A33 PolarHBondContact O-N 2.94Å; D31-A33 PolarHBondContact OD1-N 2.92Å; D31-S34 PolarHBondContact O-N 2.9Å; D31-S34 PolarHBondContact OD1-N 3.47Å; D31-S34 VanDerWaalsContact OD1-N 3.08Å; D31-S34 PolarHBondContact OD1-OG 2.92Å; D31-S34 WeakPolarHBondContact OD2-CB 3.41Å; D31-S34 PolarHBondContact OD2-OG 3.48Å; D31-C35 WeakPolarHBondContact O-CB 3.43Å; D31-C35 PolarHBondContact O-N 3.4Å; D31-R103 HydrophobicContact CB-CG 4.47Å
32	P	95.1	Very high	95.7	Very high	85 Å²	85	63.1 Å²	63.1	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-59.6	-31.7	-176.9	-25.2	34.5	0	0	0	113.6	T29 C35 C36	T29-P32 WeakPolarHBondContact O-CD 3.47Å; P32-C35 PolarHBondContact O-N 3.13Å; P32-C36 WeakPolarHBondContact O-CB 3.22Å; P32-C36 PolarHBondContact O-N 3.42Å; P32-C36 PolarHBondContact O-SG 3.34Å
33	A	95.8	Very high	95.7	Very high	63 Å²	63	63.6 Å²	63.6	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-50.7	179.2	0	0	0	0	0	110.5	D31 C35 C36 L37	D31-A33 PolarHBondContact O-N 2.94Å; D31-A33 PolarHBondContact OD1-N 2.92Å; A33-C35 VanDerWaalsContact C-N 3.29Å; A33-C35 PolarHBondContact O-N 3.38Å; A33-C36 PolarHBondContact O-N 3.39Å; A33-L37 WeakPolarHBondContact O-CG 3.39Å; A33-L37 PolarHBondContact O-N 3.24Å
34	S	96.6	Very high	95.7	Very high	6 Å²	6	67.3 Å²	67.3	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-60.6	-38.9	174	-69.4	0	0	0	0	112.4	D31 L37 A38 Y45	D31-S34 PolarHBondContact O-N 2.9Å; D31-S34 PolarHBondContact OD1-N 3.47Å; D31-S34 VanDerWaalsContact OD1-N 3.08Å; D31-S34 PolarHBondContact OD1-OG 2.92Å; D31-S34 WeakPolarHBondContact OD2-CB 3.41Å; D31-S34 PolarHBondContact OD2-OG 3.48Å; S34-L37 PolarHBondContact O-N 3.34Å; S34-A38 VanDerWaalsContact O-CB 3.32Å; S34-A38 WeakPolarHBondContact O-CB 3.44Å; S34-A38 PolarHBondContact O-N 3.25Å; S34-Y45 WeakPolarHBondContact CB-OH 3.46Å; S34-Y45 PolarHBondContact OG-OH 3.36Å
35	C	96.6	Very high	95.9	Very high	18 Å²	18	66.1 Å²	66.1	12%	0.122	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-48.9	176	-169.3	0	0	0	0	111.8	C28 D31 P32 A33 A38 L39	C28-C35 HydrophobicContact CB-CB 4.47Å; D31-C35 WeakPolarHBondContact O-CB 3.43Å; D31-C35 PolarHBondContact O-N 3.4Å; P32-C35 PolarHBondContact O-N 3.13Å; A33-C35 VanDerWaalsContact C-N 3.29Å; A33-C35 PolarHBondContact O-N 3.38Å; C35-A38 PolarHBondContact O-N 2.76Å; C35-L39 WeakPolarHBondContact O-CB 3.4Å; C35-L39 VanDerWaalsContact O-CG 3.3Å; C35-L39 WeakPolarHBondContact O-CG 3.25Å; C35-L39 PolarHBondContact O-N 3.19Å
36	C	97.6	Very high	96	Very high	65 Å²	65	66 Å²	66	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-44	176	-74.1	0	0	0	0	112	P32 A33 A38 L39 F40	P32-C36 WeakPolarHBondContact O-CB 3.22Å; P32-C36 PolarHBondContact O-N 3.42Å; P32-C36 PolarHBondContact O-SG 3.34Å; A33-C36 PolarHBondContact O-N 3.39Å; C36-A38 PolarHBondContact O-N 2.93Å; C36-L39 PolarHBondContact O-N 3.31Å; C36-F40 HydrophobicContact CB-CD2 4.19Å; C36-F40 HydrophobicContact CB-CE2 4.46Å; C36-F40 WeakPolarHBondContact O-CB 3.31Å; C36-F40 WeakPolarHBondContact O-CD2 3.49Å; C36-F40 PolarHBondContact O-N 2.91Å
37	L	97.9	Very high	96.1	Very high	82 Å²	82	60.5 Å²	60.5	43%	0.429	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-41.4	178	-71.1	172.4	0	0	0	112.1	A33 S34 C41 Y45	A33-L37 WeakPolarHBondContact O-CG 3.39Å; A33-L37 PolarHBondContact O-N 3.24Å; S34-L37 PolarHBondContact O-N 3.34Å; L37-C41 CarbonylContact O-C 3.04Å; L37-C41 VanDerWaalsContact O-CA 3.27Å; L37-C41 WeakPolarHBondContact O-CA 3.35Å; L37-C41 PolarHBondContact O-N 3.31Å; L37-Y45 HydrophobicContact CB-CD1 4.27Å; L37-Y45 HydrophobicContact CB-CD2 3.53Å; L37-Y45 HydrophobicContact CB-CE2 3.96Å; L37-Y45 HydrophobicContact CB-CG 3.72Å; L37-Y45 HydrophobicContact CD1-CD2 3.86Å; L37-Y45 HydrophobicContact CD1-CE2 3.93Å; L37-Y45 HydrophobicContact CG-CD2 4.31Å
38	A	97.4	Very high	96.3	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-43.3	174.5	0	0	0	0	0	111.7	S34 C35 C36 P42 Y45 Q95 M98	S34-A38 VanDerWaalsContact O-CB 3.32Å; S34-A38 WeakPolarHBondContact O-CB 3.44Å; S34-A38 PolarHBondContact O-N 3.25Å; C35-A38 PolarHBondContact O-N 2.76Å; C36-A38 PolarHBondContact O-N 2.93Å; A38-P42 WeakPolarHBondContact O-CB 3.22Å; A38-Y45 HydrophobicContact CB-CD1 3.8Å; A38-Y45 HydrophobicContact CB-CE1 3.91Å; A38-Q95 HydrophobicContact CB-CB 4.02Å; A38-Q95 PolarHBondContact O-OE1 3.21Å; A38-M98 HydrophobicContact CB-CB 4.32Å; A38-M98 HydrophobicContact CB-SD 4.44Å
39	L	96.8	Very high	96.6	Very high	104 Å²	104	59.6 Å²	59.6	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-71.7	-44.8	-178.1	-71.9	171.2	0	0	0	113.5	C35 C36 Q95	C35-L39 WeakPolarHBondContact O-CB 3.4Å; C35-L39 VanDerWaalsContact O-CG 3.3Å; C35-L39 WeakPolarHBondContact O-CG 3.25Å; C35-L39 PolarHBondContact O-N 3.19Å; C36-L39 PolarHBondContact O-N 3.31Å; L39-Q95 HydrophobicContact CD2-CG 4.43Å
40	F	97.5	Very high	97	Very high	161 Å²	161	55.2 Å²	55.2	71%	0.706	32%	0.319	S	S	*	.	H	α-helix	trans	-98.1	-25.6	-170.7	-62.1	-67	0	0	0	113.6	C36	C36-F40 HydrophobicContact CB-CD2 4.19Å; C36-F40 HydrophobicContact CB-CE2 4.46Å; C36-F40 WeakPolarHBondContact O-CB 3.31Å; C36-F40 WeakPolarHBondContact O-CD2 3.49Å; C36-F40 PolarHBondContact O-N 2.91Å
41	C	96.8	Very high	97.1	Very high	57 Å²	57	52.7 Å²	52.7	39%	0.385	31%	0.309	S	S	.	.			trans	-136.2	53.8	-176.1	-65.4	0	0	0	0	112.5	L37 C43 P44 Y45	L37-C41 CarbonylContact O-C 3.04Å; L37-C41 VanDerWaalsContact O-CA 3.27Å; L37-C41 WeakPolarHBondContact O-CA 3.35Å; L37-C41 PolarHBondContact O-N 3.31Å; C41-C43 PolarHBondContact O-N 2.85Å; C41-P44 HydrophobicContact CB-CG 4.41Å; C41-P44 WeakPolarHBondContact O-CD 3.31Å; C41-Y45 WeakPolarHBondContact O-CB 3.44Å; C41-Y45 PolarHBondContact O-N 3.15Å
42	P	95.9	Very high	97.2	Very high	41 Å²	41	54.5 Å²	54.5	27%	0.266	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-38	-170.9	22.5	-33.7	0	0	0	114.1	A38 L46 M98	A38-P42 WeakPolarHBondContact O-CB 3.22Å; P42-L46 VanDerWaalsContact O-CB 3.25Å; P42-L46 WeakPolarHBondContact O-CB 3.37Å; P42-L46 PolarHBondContact O-N 2.72Å; P42-M98 HydrophobicContact CB-CE 4.11Å
43	C	96.4	Very high	97.2	Very high	99 Å²	99	50.9 Å²	50.9	67%	0.669	29%	0.291	S	S	*	.	H	α-helix	trans	-69	-53.2	-178.8	-62.8	0	0	0	0	112.5	C41 Y45 L46 C47	C41-C43 PolarHBondContact O-N 2.85Å; C43-Y45 VanDerWaalsContact C-N 3.26Å; C43-Y45 PolarHBondContact O-N 2.99Å; C43-L46 PolarHBondContact O-N 2.8Å; C43-C47 PolarHBondContact O-N 2.98Å
44	P	97	Very high	97.3	Very high	87 Å²	87	52.3 Å²	52.3	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-57.9	-39.2	172.3	-25	33.1	0	0	0	112.8	C41 C47 Y48	C41-P44 HydrophobicContact CB-CG 4.41Å; C41-P44 WeakPolarHBondContact O-CD 3.31Å; P44-C47 WeakPolarHBondContact O-CB 3.42Å; P44-C47 PolarHBondContact O-N 3.45Å; P44-Y48 PolarHBondContact O-N 3.07Å
45	Y	98.3	Very high	97.3	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-40.2	-179.2	-171.3	-124.1	0	0	0	112.3	S34 L37 A38 C41 C43 Y48 L49 M98 K102	S34-Y45 WeakPolarHBondContact CB-OH 3.46Å; S34-Y45 PolarHBondContact OG-OH 3.36Å; L37-Y45 HydrophobicContact CB-CD1 4.27Å; L37-Y45 HydrophobicContact CB-CD2 3.53Å; L37-Y45 HydrophobicContact CB-CE2 3.96Å; L37-Y45 HydrophobicContact CB-CG 3.72Å; L37-Y45 HydrophobicContact CD1-CD2 3.86Å; L37-Y45 HydrophobicContact CD1-CE2 3.93Å; L37-Y45 HydrophobicContact CG-CD2 4.31Å; A38-Y45 HydrophobicContact CB-CD1 3.8Å; A38-Y45 HydrophobicContact CB-CE1 3.91Å; C41-Y45 WeakPolarHBondContact O-CB 3.44Å; C41-Y45 PolarHBondContact O-N 3.15Å; C43-Y45 VanDerWaalsContact C-N 3.26Å; C43-Y45 PolarHBondContact O-N 2.99Å; Y45-Y48 AromaticContact CD2-CD1 3.9Å; Y45-Y48 HydrophobicContact CD2-CD1 3.9Å; Y45-Y48 AromaticContact CE2-CD1 3.72Å; Y45-Y48 HydrophobicContact CE2-CD1 3.72Å; Y45-Y48 HydrophobicContact CE2-CE1 4.06Å; Y45-Y48 WeakPolarHBondContact O-CB 3.5Å; Y45-Y48 PolarHBondContact O-N 3.18Å; Y45-L49 HydrophobicContact CD1-CD1 4.3Å; Y45-L49 HydrophobicContact CE1-CD1 3.97Å; Y45-L49 HydrophobicContact CE1-CG 4.35Å; Y45-L49 HydrophobicContact CE2-CD2 4.38Å; Y45-L49 WeakPolarHBondContact O-CG 3.43Å; Y45-L49 PolarHBondContact O-N 3.41Å; Y45-M98 HydrophobicContact CD1-CB 4.08Å; Y45-M98 HydrophobicContact CD1-SD 3.77Å; Y45-M98 HydrophobicContact CE1-CB 3.83Å; Y45-M98 HydrophobicContact CE1-SD 4.48Å; Y45-K102 WeakPolarHBondContact OH-CB 3.45Å; Y45-K102 WeakPolarHBondContact OH-CG 3.27Å
46	L	98.3	Very high	97.3	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-42.6	173.6	-174.5	59.4	0	0	0	111.8	P42 C43 Y48 L49 Y50 P60 T66 L69 M98	P42-L46 VanDerWaalsContact O-CB 3.25Å; P42-L46 WeakPolarHBondContact O-CB 3.37Å; P42-L46 PolarHBondContact O-N 2.72Å; C43-L46 PolarHBondContact O-N 2.8Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 3.19Å; L46-L49 VanDerWaalsContact O-N 3.17Å; L46-Y50 HydrophobicContact CD1-CD2 3.99Å; L46-Y50 HydrophobicContact CD1-CE2 3.89Å; L46-Y50 HydrophobicContact CG-CD2 4.06Å; L46-Y50 HydrophobicContact CG-CE2 4.09Å; L46-Y50 WeakPolarHBondContact O-CD2 3.28Å; L46-Y50 PolarHBondContact O-N 3.4Å; L46-P60 HydrophobicContact CB-CG 4.49Å; L46-P60 HydrophobicContact CD2-CB 3.94Å; L46-P60 HydrophobicContact CD2-CG 3.99Å; L46-P60 HydrophobicContact CG-CB 4.2Å; L46-P60 HydrophobicContact CG-CG 3.77Å; L46-T66 HydrophobicContact CD1-CG2 3.8Å; L46-L69 HydrophobicContact CD1-CD2 4.49Å; L46-M98 HydrophobicContact CB-CE 3.82Å; L46-M98 HydrophobicContact CB-SD 4.25Å; L46-M98 HydrophobicContact CD1-CE 4.23Å; L46-M98 HydrophobicContact CD1-CG 4.47Å; L46-M98 HydrophobicContact CD2-CE 4.21Å; L46-M98 HydrophobicContact CG-CE 4.31Å
47	C	98.1	Very high	97.2	Very high	30 Å²	30	56 Å²	56	20%	0.203	31%	0.308	C	S	.	.	H	α-helix	trans	-56.5	-43.6	171.5	151.4	0	0	0	0	111.9	C43 P44 Y50 S51 C57	C43-C47 PolarHBondContact O-N 2.98Å; P44-C47 WeakPolarHBondContact O-CB 3.42Å; P44-C47 PolarHBondContact O-N 3.45Å; C47-Y50 PolarHBondContact O-N 2.93Å; C47-S51 PolarHBondContact O-N 3Å; C47-S51 PolarHBondContact O-OG 3.35Å; C47-C57 HydrophobicContact CB-CB 4.07Å; C47-C57 WeakPolarHBondContact CB-SG 3.34Å; C47-C57 WeakPolarHBondContact SG-CB 3.35Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.09Å
48	Y	98.1	Very high	97.1	Very high	97 Å²	97	59.2 Å²	59.2	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-46.5	174.2	165.3	-99.9	0	0	0	111.5	P44 Y45 L46 Y50 S51 Y52 K102	P44-Y48 PolarHBondContact O-N 3.07Å; Y45-Y48 AromaticContact CD2-CD1 3.9Å; Y45-Y48 HydrophobicContact CD2-CD1 3.9Å; Y45-Y48 AromaticContact CE2-CD1 3.72Å; Y45-Y48 HydrophobicContact CE2-CD1 3.72Å; Y45-Y48 HydrophobicContact CE2-CE1 4.06Å; Y45-Y48 WeakPolarHBondContact O-CB 3.5Å; Y45-Y48 PolarHBondContact O-N 3.18Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 3.41Å; Y48-Y50 PolarHBondContact O-N 2.9Å; Y48-S51 CarbonylContact O-C 3.57Å; Y48-S51 WeakPolarHBondContact O-CB 3.3Å; Y48-S51 PolarHBondContact O-N 3.36Å; Y48-S51 VanDerWaalsContact O-N 3.16Å; Y48-Y52 HydrophobicContact CE1-CD2 4.48Å; Y48-Y52 HydrophobicContact CE2-CD2 4.17Å; Y48-Y52 AromaticContact CZ-CD2 3.79Å; Y48-Y52 VanDerWaalsContact O-CB 3.3Å; Y48-Y52 WeakPolarHBondContact O-CB 3.41Å; Y48-Y52 PolarHBondContact O-N 3.12Å; Y48-Y52 WeakPolarHBondContact OH-CD2 3.15Å; Y48-K102 HydrophobicContact CE1-CD 4.11Å; Y48-K102 VanDerWaalsContact OH-CE 3.31Å; Y48-K102 WeakPolarHBondContact OH-CE 3.01Å
49	L	98.4	Very high	97.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-38.5	178.2	-66.6	178.1	0	0	0	113.3	Y45 L46 Y52 A53 L69 M98 K102	Y45-L49 HydrophobicContact CD1-CD1 4.3Å; Y45-L49 HydrophobicContact CE1-CD1 3.97Å; Y45-L49 HydrophobicContact CE1-CG 4.35Å; Y45-L49 HydrophobicContact CE2-CD2 4.38Å; Y45-L49 WeakPolarHBondContact O-CG 3.43Å; Y45-L49 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 3.19Å; L46-L49 VanDerWaalsContact O-N 3.17Å; L49-Y52 WeakPolarHBondContact O-CB 3.25Å; L49-Y52 PolarHBondContact O-N 3.39Å; L49-A53 WeakPolarHBondContact O-CB 3.24Å; L49-A53 PolarHBondContact O-N 3.26Å; L49-L69 HydrophobicContact CB-CD2 3.82Å; L49-M98 HydrophobicContact CD1-CB 3.63Å; L49-M98 HydrophobicContact CD1-CG 3.9Å; L49-K102 HydrophobicContact CD2-CB 3.8Å; L49-K102 HydrophobicContact CD2-CD 3.83Å; L49-K102 HydrophobicContact CD2-CG 4.26Å
50	Y	98.3	Very high	97.1	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-47.5	172	-93.5	-90.3	0	0	0	110.9	L46 C47 Y48 Y52 A53 N54 E55 L59 P60 A64 G65 L69	L46-Y50 HydrophobicContact CD1-CD2 3.99Å; L46-Y50 HydrophobicContact CD1-CE2 3.89Å; L46-Y50 HydrophobicContact CG-CD2 4.06Å; L46-Y50 HydrophobicContact CG-CE2 4.09Å; L46-Y50 WeakPolarHBondContact O-CD2 3.28Å; L46-Y50 PolarHBondContact O-N 3.4Å; C47-Y50 PolarHBondContact O-N 2.93Å; Y48-Y50 PolarHBondContact O-N 2.9Å; Y50-Y52 VanDerWaalsContact C-N 3.29Å; Y50-Y52 PolarHBondContact O-N 2.9Å; Y50-A53 CarbonylContact O-C 3.52Å; Y50-A53 PolarHBondContact O-N 3.36Å; Y50-A53 VanDerWaalsContact O-N 3.12Å; Y50-N54 PolarHBondContact O-N 2.91Å; Y50-E55 CarbonylContact C-O 3.22Å; Y50-E55 VanDerWaalsContact C-O 3.22Å; Y50-E55 HydrophobicContact CD1-CB 3.74Å; Y50-E55 WeakPolarHBondContact O-CA 3.47Å; Y50-E55 WeakPolarHBondContact O-CB 3.22Å; Y50-E55 PolarHBondContact O-N 2.95Å; Y50-E55 VanDerWaalsContact O-O 3.06Å; Y50-L59 HydrophobicContact CD1-CB 3.91Å; Y50-L59 HydrophobicContact CD1-CD1 3.72Å; Y50-L59 HydrophobicContact CD1-CG 4.44Å; Y50-L59 HydrophobicContact CE1-CB 3.79Å; Y50-L59 HydrophobicContact CE1-CD1 3.68Å; Y50-L59 HydrophobicContact CE1-CG 4.42Å; Y50-P60 HydrophobicContact CD2-CG 3.41Å; Y50-P60 VanDerWaalsContact CD2-CG 3.41Å; Y50-P60 HydrophobicContact CE2-CG 3.67Å; Y50-P60 HydrophobicContact CG-CG 4.09Å; Y50-A64 HydrophobicContact CE1-CB 4.41Å; Y50-A64 VanDerWaalsContact CE2-O 3.31Å; Y50-A64 WeakPolarHBondContact CE2-O 3.3Å; Y50-A64 VanDerWaalsContact OH-CB 3.31Å; Y50-A64 WeakPolarHBondContact OH-CB 3.49Å; Y50-A64 PolarHBondContact OH-O 3.44Å; Y50-A64 VanDerWaalsContact OH-O 3.11Å; Y50-G65 PolarHBondContact OH-O 3.06Å; Y50-L69 HydrophobicContact CD1-CD1 4.41Å; Y50-L69 HydrophobicContact CD2-CD2 3.93Å; Y50-L69 HydrophobicContact CE1-CB 4.5Å; Y50-L69 HydrophobicContact CE1-CD1 4.42Å; Y50-L69 HydrophobicContact CE2-CB 4.08Å; Y50-L69 HydrophobicContact CE2-CD2 4.04Å; Y50-L69 HydrophobicContact CG-CD2 4.39Å
51	S	97.4	Very high	97	Very high	54 Å²	54	54.9 Å²	54.9	38%	0.378	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-37.9	177.8	-50.9	0	0	0	0	111.8	C47 Y48 A53 N54 E55 C57	C47-S51 PolarHBondContact O-N 3Å; C47-S51 PolarHBondContact O-OG 3.35Å; Y48-S51 CarbonylContact O-C 3.57Å; Y48-S51 WeakPolarHBondContact O-CB 3.3Å; Y48-S51 PolarHBondContact O-N 3.36Å; Y48-S51 VanDerWaalsContact O-N 3.16Å; S51-A53 VanDerWaalsContact C-N 3.26Å; S51-A53 PolarHBondContact O-N 3.38Å; S51-N54 PolarHBondContact O-N 2.86Å; S51-E55 WeakPolarHBondContact CA-O 3.3Å; S51-E55 PolarHBondContact N-O 3.27Å; S51-C57 WeakPolarHBondContact OG-CB 3.28Å
52	Y	96.9	Very high	97	Very high	69 Å²	69	57.9 Å²	57.9	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-31.7	176.4	-159.5	-103.8	0	0	0	112.1	Y48 L49 Y50 N54 K102 M105 D106 I109	Y48-Y52 HydrophobicContact CE1-CD2 4.48Å; Y48-Y52 HydrophobicContact CE2-CD2 4.17Å; Y48-Y52 AromaticContact CZ-CD2 3.79Å; Y48-Y52 VanDerWaalsContact O-CB 3.3Å; Y48-Y52 WeakPolarHBondContact O-CB 3.41Å; Y48-Y52 PolarHBondContact O-N 3.12Å; Y48-Y52 WeakPolarHBondContact OH-CD2 3.15Å; L49-Y52 WeakPolarHBondContact O-CB 3.25Å; L49-Y52 PolarHBondContact O-N 3.39Å; Y50-Y52 VanDerWaalsContact C-N 3.29Å; Y50-Y52 PolarHBondContact O-N 2.9Å; Y52-N54 VanDerWaalsContact C-N 3.25Å; Y52-N54 PolarHBondContact O-N 3.44Å; Y52-K102 HydrophobicContact CD1-CD 4.35Å; Y52-K102 HydrophobicContact CE1-CD 4.28Å; Y52-M105 HydrophobicContact CD1-CB 3.87Å; Y52-M105 HydrophobicContact CD1-CG 4.4Å; Y52-M105 HydrophobicContact CD1-SD 3.76Å; Y52-M105 HydrophobicContact CE1-CB 3.74Å; Y52-D106 PolarHBondContact OH-OD1 3.4Å; Y52-I109 HydrophobicContact CD1-CD1 4.48Å; Y52-I109 HydrophobicContact CE1-CD1 3.51Å; Y52-I109 VanDerWaalsContact OH-CD1 3.24Å; Y52-I109 WeakPolarHBondContact OH-CD1 3.37Å
53	A	96.2	Very high	96.9	Very high	9 Å²	9	59.2 Å²	59.2	7%	0.074	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14.7	173.7	0	0	0	0	0	114	L49 Y50 S51 E55 L69 R72 M105	L49-A53 WeakPolarHBondContact O-CB 3.24Å; L49-A53 PolarHBondContact O-N 3.26Å; Y50-A53 CarbonylContact O-C 3.52Å; Y50-A53 PolarHBondContact O-N 3.36Å; Y50-A53 VanDerWaalsContact O-N 3.12Å; S51-A53 VanDerWaalsContact C-N 3.26Å; S51-A53 PolarHBondContact O-N 3.38Å; A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 3.42Å; A53-L69 HydrophobicContact CB-CD1 3.68Å; A53-R72 PolarHBondContact O-NH2 2.76Å; A53-M105 HydrophobicContact CB-CE 3.88Å; A53-M105 HydrophobicContact CB-SD 4.34Å
54	N	96	Very high	96.8	Very high	93 Å²	93	55.2 Å²	55.2	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.6	-175.2	-72	-65.7	0	0	0	114.3	Y50 S51 Y52 V115	Y50-N54 PolarHBondContact O-N 2.91Å; S51-N54 PolarHBondContact O-N 2.86Å; Y52-N54 VanDerWaalsContact C-N 3.25Å; Y52-N54 PolarHBondContact O-N 3.44Å; N54-V115 VanDerWaalsContact ND2-C 3.29Å; N54-V115 VanDerWaalsContact ND2-CG1 3.28Å; N54-V115 WeakPolarHBondContact ND2-CG1 3.46Å; N54-V115 PolarHBondContact ND2-OXT 3.14Å
55	E	97.1	Very high	96.8	Very high	57 Å²	57	52.4 Å²	52.4	27%	0.266	30%	0.302	S	S	.	.	S	Bend	trans	-112.2	151.4	175.5	-65	-70.7	176	0	0	110.9	Y50 S51 A53 C57 L59 R72	Y50-E55 CarbonylContact C-O 3.22Å; Y50-E55 VanDerWaalsContact C-O 3.22Å; Y50-E55 HydrophobicContact CD1-CB 3.74Å; Y50-E55 WeakPolarHBondContact O-CA 3.47Å; Y50-E55 WeakPolarHBondContact O-CB 3.22Å; Y50-E55 PolarHBondContact O-N 2.95Å; Y50-E55 VanDerWaalsContact O-O 3.06Å; S51-E55 WeakPolarHBondContact CA-O 3.3Å; S51-E55 PolarHBondContact N-O 3.27Å; A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 3.42Å; E55-C57 PolarHBondContact O-N 3.04Å; E55-L59 HydrophobicContact CB-CD1 4.14Å; E55-R72 WeakPolarHBondContact OE1-CD 3.45Å; E55-R72 IonicContact OE1-CZ 3.64Å; E55-R72 IonicContact OE1-NE 4Å; E55-R72 PolarHBondContact OE1-NE 3.28Å; E55-R72 IonicContact OE1-NH1 2.79Å; E55-R72 PolarHBondContact OE1-NH1 3.36Å; E55-R72 IonicContact OE1-NH2 2.76Å
56	P	97.2	Very high	96.8	Very high	57 Å²	57	52.3 Å²	52.3	37%	0.37	30%	0.302	S	S	.	.			trans	-62.5	130	-178.8	-22.4	32	0	0	0	113.8	W58 L59	P56-W58 VanDerWaalsContact CB-CD1 3.48Å; P56-W58 HydrophobicContact CB-CG 4.28Å; P56-W58 PolarHBondContact O-N 3.21Å; P56-L59 HydrophobicContact CB-CG 4.42Å; P56-L59 WeakPolarHBondContact O-CB 3.39Å; P56-L59 WeakPolarHBondContact O-CG 3.43Å; P56-L59 PolarHBondContact O-N 2.84Å; P56-L59 VanDerWaalsContact O-N 3.12Å
57	C	95.5	Very high	96.7	Very high	52 Å²	52	51.7 Å²	51.7	35%	0.351	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.5	177.6	160.4	0	0	0	0	115	C47 S51 E55 L59 P60	C47-C57 HydrophobicContact CB-CB 4.07Å; C47-C57 WeakPolarHBondContact CB-SG 3.34Å; C47-C57 WeakPolarHBondContact SG-CB 3.35Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.09Å; S51-C57 WeakPolarHBondContact OG-CB 3.28Å; E55-C57 PolarHBondContact O-N 3.04Å; C57-L59 VanDerWaalsContact C-N 3.3Å; C57-L59 PolarHBondContact O-N 2.89Å; C57-P60 WeakPolarHBondContact O-CD 3.37Å
58	W	96.2	Very high	96.7	Very high	151 Å²	151	52.8 Å²	52.8	57%	0.572	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.5	179.8	64.5	-98.6	0	0	0	113.5	P56 C61 I62	P56-W58 VanDerWaalsContact CB-CD1 3.48Å; P56-W58 HydrophobicContact CB-CG 4.28Å; P56-W58 PolarHBondContact O-N 3.21Å; W58-C61 WeakPolarHBondContact O-CA 3.48Å; W58-C61 WeakPolarHBondContact O-CB 3.09Å; W58-C61 PolarHBondContact O-N 3.22Å; W58-I62 HydrophobicContact CE3-CD1 4.46Å; W58-I62 HydrophobicContact CE3-CG1 4.31Å; W58-I62 HydrophobicContact CE3-CG2 4.09Å; W58-I62 HydrophobicContact CH2-CD1 4.43Å; W58-I62 HydrophobicContact CZ3-CD1 3.67Å; W58-I62 HydrophobicContact CZ3-CG1 3.99Å; W58-I62 HydrophobicContact CZ3-CG2 3.99Å
59	L	97.6	Very high	96.7	Very high	32 Å²	32	48.2 Å²	48.2	17%	0.168	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-58.2	-44.4	179.8	-72.6	176.3	0	0	0	113.2	Y50 E55 P56 C57 C61 I62 A64	Y50-L59 HydrophobicContact CD1-CB 3.91Å; Y50-L59 HydrophobicContact CD1-CD1 3.72Å; Y50-L59 HydrophobicContact CD1-CG 4.44Å; Y50-L59 HydrophobicContact CE1-CB 3.79Å; Y50-L59 HydrophobicContact CE1-CD1 3.68Å; Y50-L59 HydrophobicContact CE1-CG 4.42Å; E55-L59 HydrophobicContact CB-CD1 4.14Å; P56-L59 HydrophobicContact CB-CG 4.42Å; P56-L59 WeakPolarHBondContact O-CB 3.39Å; P56-L59 WeakPolarHBondContact O-CG 3.43Å; P56-L59 PolarHBondContact O-N 2.84Å; P56-L59 VanDerWaalsContact O-N 3.12Å; C57-L59 VanDerWaalsContact C-N 3.3Å; C57-L59 PolarHBondContact O-N 2.89Å; L59-C61 PolarHBondContact O-N 2.87Å; L59-I62 HydrophobicContact CD2-CD1 4.14Å; L59-I62 WeakPolarHBondContact O-CG1 3.44Å; L59-I62 PolarHBondContact O-N 2.8Å; L59-A64 HydrophobicContact CB-CB 3.89Å; L59-A64 WeakPolarHBondContact O-CB 3.37Å; L59-A64 PolarHBondContact O-N 2.94Å; L59-A64 VanDerWaalsContact O-N 3.13Å
60	P	96.6	Very high	96.7	Very high	29 Å²	29	48.4 Å²	48.4	19%	0.188	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-51.5	-33.9	169.1	-33.1	36.6	0	0	0	115.1	L46 Y50 C57 I62 G63 A64	L46-P60 HydrophobicContact CB-CG 4.49Å; L46-P60 HydrophobicContact CD2-CB 3.94Å; L46-P60 HydrophobicContact CD2-CG 3.99Å; L46-P60 HydrophobicContact CG-CB 4.2Å; L46-P60 HydrophobicContact CG-CG 3.77Å; Y50-P60 HydrophobicContact CD2-CG 3.41Å; Y50-P60 VanDerWaalsContact CD2-CG 3.41Å; Y50-P60 HydrophobicContact CE2-CG 3.67Å; Y50-P60 HydrophobicContact CG-CG 4.09Å; C57-P60 WeakPolarHBondContact O-CD 3.37Å; P60-I62 PolarHBondContact O-N 2.73Å; P60-G63 PolarHBondContact O-N 3.49Å; P60-G63 VanDerWaalsContact O-N 3.1Å; P60-A64 WeakPolarHBondContact CA-O 3.38Å
61	C	94.4	Very high	96.7	Very high	112 Å²	112	49.6 Å²	49.6	76%	0.757	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21.9	-179.6	-56.2	0	0	0	0	113.1	W58 L59	W58-C61 WeakPolarHBondContact O-CA 3.48Å; W58-C61 WeakPolarHBondContact O-CB 3.09Å; W58-C61 PolarHBondContact O-N 3.22Å; L59-C61 PolarHBondContact O-N 2.87Å
62	I	96.2	Very high	96.7	Very high	120 Å²	120	50.5 Å²	50.5	62%	0.615	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-98.1	13.8	174.2	63.8	154.5	0	0	0	112.9	W58 L59 P60	W58-I62 HydrophobicContact CE3-CD1 4.46Å; W58-I62 HydrophobicContact CE3-CG1 4.31Å; W58-I62 HydrophobicContact CE3-CG2 4.09Å; W58-I62 HydrophobicContact CH2-CD1 4.43Å; W58-I62 HydrophobicContact CZ3-CD1 3.67Å; W58-I62 HydrophobicContact CZ3-CG1 3.99Å; W58-I62 HydrophobicContact CZ3-CG2 3.99Å; L59-I62 HydrophobicContact CD2-CD1 4.14Å; L59-I62 WeakPolarHBondContact O-CG1 3.44Å; L59-I62 PolarHBondContact O-N 2.8Å; P60-I62 PolarHBondContact O-N 2.73Å
63	G	93.8	Very high	96.7	Very high	69 Å²	69	47.6 Å²	47.6	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	9.4	177.5	0	0	0	0	0	114.9	P60 G65	P60-G63 PolarHBondContact O-N 3.49Å; P60-G63 VanDerWaalsContact O-N 3.1Å; G63-G65 VanDerWaalsContact C-N 3.29Å; G63-G65 PolarHBondContact O-N 2.99Å
64	A	95.6	Very high	96.7	Very high	16 Å²	16	48.2 Å²	48.2	13%	0.132	28%	0.279	C	S	.	.			trans	-74.5	85.3	170.8	0	0	0	0	0	110	Y50 L59 P60	Y50-A64 HydrophobicContact CE1-CB 4.41Å; Y50-A64 VanDerWaalsContact CE2-O 3.31Å; Y50-A64 WeakPolarHBondContact CE2-O 3.3Å; Y50-A64 VanDerWaalsContact OH-CB 3.31Å; Y50-A64 WeakPolarHBondContact OH-CB 3.49Å; Y50-A64 PolarHBondContact OH-O 3.44Å; Y50-A64 VanDerWaalsContact OH-O 3.11Å; L59-A64 HydrophobicContact CB-CB 3.89Å; L59-A64 WeakPolarHBondContact O-CB 3.37Å; L59-A64 PolarHBondContact O-N 2.94Å; L59-A64 VanDerWaalsContact O-N 3.13Å; P60-A64 WeakPolarHBondContact CA-O 3.38Å
65	G	96.5	Very high	96.7	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	28%	0.281	S	S	.	.			trans	-71.5	-160.8	177	0	0	0	0	0	113.3	Y50 G63 G67 P68	Y50-G65 PolarHBondContact OH-O 3.06Å; G63-G65 VanDerWaalsContact C-N 3.29Å; G63-G65 PolarHBondContact O-N 2.99Å; G65-G67 PolarHBondContact O-N 3.42Å; G65-P68 WeakPolarHBondContact O-CD 3.49Å
66	T	97.9	Very high	96.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-20.5	177	53.9	0	0	0	0	114.1	L46 L69 R70 S90 T94 V97 M98	L46-T66 HydrophobicContact CD1-CG2 3.8Å; T66-L69 PolarHBondContact O-N 2.02Å; T66-R70 WeakPolarHBondContact O-CB 3.47Å; T66-R70 PolarHBondContact O-N 3.35Å; T66-S90 WeakPolarHBondContact OG1-CB 3.17Å; T66-S90 PolarHBondContact OG1-OG 3.21Å; T66-T94 HydrophobicContact CG2-CG2 3.55Å; T66-V97 HydrophobicContact CG2-CB 4.46Å; T66-V97 HydrophobicContact CG2-CG1 4.15Å; T66-M98 HydrophobicContact CG2-CE 4.14Å; T66-M98 HydrophobicContact CG2-CG 3.5Å
67	G	97.8	Very high	96.5	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-59.5	-177.3	0	0	0	0	0	113.1	G65 L69 R70 M71 S90	G65-G67 PolarHBondContact O-N 3.42Å; G67-L69 VanDerWaalsContact C-N 3.3Å; G67-L69 PolarHBondContact O-N 2.83Å; G67-R70 PolarHBondContact O-N 2.65Å; G67-M71 WeakPolarHBondContact O-CG 3.29Å; G67-M71 PolarHBondContact O-N 3.2Å; G67-S90 WeakPolarHBondContact CA-OG 3.21Å; G67-S90 PolarHBondContact N-OG 3.06Å
68	P	97.5	Very high	96.5	Very high	52 Å²	52	58 Å²	58	34%	0.338	30%	0.301	S	S	.	.	H	α-helix	trans	-54.6	-42.2	174.7	-28	35.4	0	0	0	113.9	G65 M71 R72	G65-P68 WeakPolarHBondContact O-CD 3.49Å; P68-M71 HydrophobicContact CB-CE 4.37Å; P68-M71 HydrophobicContact CG-CE 4.36Å; P68-M71 PolarHBondContact O-N 3.2Å; P68-R72 WeakPolarHBondContact O-CB 3.1Å; P68-R72 PolarHBondContact O-N 3.38Å
69	L	98	Very high	96.5	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-40.5	178.9	-169.8	58.2	0	0	0	112.1	L46 L49 Y50 A53 T66 G67 R72 Q73 L101 M105	L46-L69 HydrophobicContact CD1-CD2 4.49Å; L49-L69 HydrophobicContact CB-CD2 3.82Å; Y50-L69 HydrophobicContact CD1-CD1 4.41Å; Y50-L69 HydrophobicContact CD2-CD2 3.93Å; Y50-L69 HydrophobicContact CE1-CB 4.5Å; Y50-L69 HydrophobicContact CE1-CD1 4.42Å; Y50-L69 HydrophobicContact CE2-CB 4.08Å; Y50-L69 HydrophobicContact CE2-CD2 4.04Å; Y50-L69 HydrophobicContact CG-CD2 4.39Å; A53-L69 HydrophobicContact CB-CD1 3.68Å; T66-L69 PolarHBondContact O-N 2.02Å; G67-L69 VanDerWaalsContact C-N 3.3Å; G67-L69 PolarHBondContact O-N 2.83Å; L69-R72 PolarHBondContact O-N 2.97Å; L69-Q73 WeakPolarHBondContact O-CB 3.49Å; L69-Q73 PolarHBondContact O-N 3.16Å; L69-L101 HydrophobicContact CB-CD1 4.3Å; L69-L101 HydrophobicContact CD2-CD1 4.13Å; L69-L101 HydrophobicContact CG-CD1 4.14Å; L69-M105 HydrophobicContact CD1-CE 4.08Å; L69-M105 HydrophobicContact CD2-CE 4.15Å; L69-M105 HydrophobicContact CG-CE 4Å
70	R	98.1	Very high	96.4	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-42.3	175.9	-170.9	-174.2	178.4	88.1	1.2	112.5	W21 T66 G67 Q73 R74 D86 V97 Q100 L101	W21-R70 HydrophobicContact CH2-CG 3.6Å; W21-R70 HydrophobicContact CZ2-CG 3.62Å; T66-R70 WeakPolarHBondContact O-CB 3.47Å; T66-R70 PolarHBondContact O-N 3.35Å; G67-R70 PolarHBondContact O-N 2.65Å; R70-Q73 PolarHBondContact O-N 3.44Å; R70-R74 VanDerWaalsContact O-CB 3.28Å; R70-R74 WeakPolarHBondContact O-CB 3.5Å; R70-R74 PolarHBondContact O-N 3.41Å; R70-D86 HydrophobicContact CB-CB 4.46Å; R70-D86 VanDerWaalsContact CD-OD1 3.24Å; R70-D86 WeakPolarHBondContact CD-OD1 3.43Å; R70-D86 HydrophobicContact CG-CB 4.2Å; R70-D86 WeakPolarHBondContact CG-OD1 3.37Å; R70-D86 IonicContact NE-OD1 2.79Å; R70-D86 PolarHBondContact NE-OD1 3.31Å; R70-V97 HydrophobicContact CB-CG1 4.49Å; R70-Q100 VanDerWaalsContact CZ-OE1 3.28Å; R70-L101 HydrophobicContact CB-CD1 4.33Å; R70-L101 HydrophobicContact CB-CD2 4.16Å; R70-L101 HydrophobicContact CG-CD2 4.38Å
71	M	98	Very high	96.3	Very high	31 Å²	31	55.8 Å²	55.8	15%	0.153	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-45.3	173.9	-71	-173.8	-70.8	0	0	111.3	G67 P68 R74 F75 I83 D86 F87	G67-M71 WeakPolarHBondContact O-CG 3.29Å; G67-M71 PolarHBondContact O-N 3.2Å; P68-M71 HydrophobicContact CB-CE 4.37Å; P68-M71 HydrophobicContact CG-CE 4.36Å; P68-M71 PolarHBondContact O-N 3.2Å; M71-R74 PolarHBondContact O-N 2.9Å; M71-F75 HydrophobicContact CB-CD2 4.34Å; M71-F75 HydrophobicContact CB-CE2 4.2Å; M71-F75 WeakPolarHBondContact O-CD2 3.48Å; M71-F75 WeakPolarHBondContact O-CG 3.28Å; M71-F75 PolarHBondContact O-N 3.35Å; M71-I83 HydrophobicContact SD-CB 4.28Å; M71-I83 HydrophobicContact SD-CG1 4.05Å; M71-I83 HydrophobicContact SD-CG2 3.69Å; M71-D86 HydrophobicContact CG-CB 3.9Å; M71-F87 HydrophobicContact CE-CD2 4.37Å; M71-F87 HydrophobicContact CE-CE2 3.47Å; M71-F87 VanDerWaalsContact CE-CE2 3.47Å; M71-F87 HydrophobicContact CE-CZ 3.8Å; M71-F87 HydrophobicContact SD-CD2 4.24Å; M71-F87 HydrophobicContact SD-CE2 3.7Å
72	R	97.2	Very high	96.4	Very high	74 Å²	74	53.1 Å²	53.1	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-53.7	175.7	173.9	-176.3	162.4	76.5	8.7	110.6	A53 E55 P68 L69 R74 F75 R76	A53-R72 PolarHBondContact O-NH2 2.76Å; E55-R72 WeakPolarHBondContact OE1-CD 3.45Å; E55-R72 IonicContact OE1-CZ 3.64Å; E55-R72 IonicContact OE1-NE 4Å; E55-R72 PolarHBondContact OE1-NE 3.28Å; E55-R72 IonicContact OE1-NH1 2.79Å; E55-R72 PolarHBondContact OE1-NH1 3.36Å; E55-R72 IonicContact OE1-NH2 2.76Å; P68-R72 WeakPolarHBondContact O-CB 3.1Å; P68-R72 PolarHBondContact O-N 3.38Å; L69-R72 PolarHBondContact O-N 2.97Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 3.01Å; R72-F75 PolarHBondContact O-N 2.96Å; R72-R76 HydrophobicContact CG-CG 4.22Å; R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.09Å; R72-R76 VanDerWaalsContact O-CG 3.25Å; R72-R76 WeakPolarHBondContact O-CG 3.45Å; R72-R76 PolarHBondContact O-N 2.84Å
73	Q	97.5	Very high	96.5	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-46.6	178.9	-171.3	68.6	9.3	0	0	111.2	W21 L69 R70 F75 R76 H77 I79 L101 D104	W21-Q73 HydrophobicContact CH2-CB 4.17Å; W21-Q73 HydrophobicContact CH2-CG 4.11Å; W21-Q73 HydrophobicContact CZ3-CB 4.41Å; W21-Q73 HydrophobicContact CZ3-CG 3.87Å; L69-Q73 WeakPolarHBondContact O-CB 3.49Å; L69-Q73 PolarHBondContact O-N 3.16Å; R70-Q73 PolarHBondContact O-N 3.44Å; Q73-F75 PolarHBondContact O-N 3.17Å; Q73-R76 PolarHBondContact O-N 2.91Å; Q73-H77 VanDerWaalsContact CD-CD2 3.42Å; Q73-H77 PolarHBondContact NE2-CD2 3.32Å; Q73-H77 VanDerWaalsContact NE2-CD2 3.28Å; Q73-H77 PolarHBondContact O-CD2 2.89Å; Q73-H77 VanDerWaalsContact O-CD2 3.27Å; Q73-H77 PolarHBondContact O-N 3.36Å; Q73-I79 HydrophobicContact CG-CD1 4.16Å; Q73-L101 HydrophobicContact CB-CD2 3.85Å; Q73-L101 HydrophobicContact CG-CD2 4.09Å; Q73-D104 PolarHBondContact NE2-OD2 2.96Å
74	R	96.8	Very high	96.7	Very high	22 Å²	22	52.8 Å²	52.8	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-49.2	179.3	-176.5	170.2	71.4	75.5	7.7	112.5	W21 R70 M71 R72 K78 I79 G81 D86	W21-R74 HydrophobicContact CZ2-CB 4.21Å; R70-R74 VanDerWaalsContact O-CB 3.28Å; R70-R74 WeakPolarHBondContact O-CB 3.5Å; R70-R74 PolarHBondContact O-N 3.41Å; M71-R74 PolarHBondContact O-N 2.9Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 3.01Å; R74-K78 WeakPolarHBondContact O-CA 3.5Å; R74-K78 PolarHBondContact O-N 2.91Å; R74-K78 VanDerWaalsContact O-N 3.09Å; R74-I79 HydrophobicContact CB-CB 4.36Å; R74-I79 WeakPolarHBondContact CD-O 3.17Å; R74-I79 HydrophobicContact CG-CB 3.95Å; R74-I79 WeakPolarHBondContact CG-O 3.18Å; R74-I79 PolarHBondContact O-N 3.07Å; R74-G81 PolarHBondContact NH1-O 3.34Å; R74-D86 IonicContact CZ-OD2 2.93Å; R74-D86 IonicContact NE-OD1 3.08Å; R74-D86 IonicContact NE-OD2 3.57Å; R74-D86 PolarHBondContact NE-OD2 2.87Å; R74-D86 IonicContact NH2-OD2 3.64Å
75	F	95.9	Very high	96.7	Very high	122 Å²	122	55.2 Å²	55.2	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-71.6	-39.2	-178.3	-68.9	-50.8	0	0	0	112.5	M71 R72 Q73 I83	M71-F75 HydrophobicContact CB-CD2 4.34Å; M71-F75 HydrophobicContact CB-CE2 4.2Å; M71-F75 WeakPolarHBondContact O-CD2 3.48Å; M71-F75 WeakPolarHBondContact O-CG 3.28Å; M71-F75 PolarHBondContact O-N 3.35Å; R72-F75 PolarHBondContact O-N 2.96Å; Q73-F75 PolarHBondContact O-N 3.17Å; F75-I83 HydrophobicContact CE2-CG1 4.49Å; F75-I83 HydrophobicContact CZ-CD1 4.13Å; F75-I83 HydrophobicContact CZ-CG1 4.03Å
76	R	94.8	Very high	96.8	Very high	172 Å²	172	54 Å²	54	65%	0.649	27%	0.27	S	S	*	.	H	α-helix	trans	-64.6	-40.6	179.4	-75.5	-74.6	178.7	172.6	-1.5	112.3	R72 Q73	R72-R76 HydrophobicContact CG-CG 4.22Å; R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.09Å; R72-R76 VanDerWaalsContact O-CG 3.25Å; R72-R76 WeakPolarHBondContact O-CG 3.45Å; R72-R76 PolarHBondContact O-N 2.84Å; Q73-R76 PolarHBondContact O-N 2.91Å
77	H	94.8	Very high	96.7	Very high	44 Å²	44	58.5 Å²	58.5	20%	0.204	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	21.5	-174	-53.6	-67.6	0	0	0	113.4	R19 Q73 I79 V108	R19-H77 PolarHBondContact NE-O 3.45Å; R19-H77 VanDerWaalsContact NH2-CB 3.26Å; Q73-H77 VanDerWaalsContact CD-CD2 3.42Å; Q73-H77 PolarHBondContact NE2-CD2 3.32Å; Q73-H77 VanDerWaalsContact NE2-CD2 3.28Å; Q73-H77 PolarHBondContact O-CD2 2.89Å; Q73-H77 VanDerWaalsContact O-CD2 3.27Å; Q73-H77 PolarHBondContact O-N 3.36Å; H77-I79 VanDerWaalsContact C-N 3.28Å; H77-I79 HydrophobicContact CB-CD1 4.43Å; H77-I79 HydrophobicContact CB-CG1 4.15Å; H77-I79 PolarHBondContact O-N 3.3Å; H77-V108 HydrophobicContact CB-CG2 4.31Å; H77-V108 WeakPolarHBondContact CE1-CG1 3.46Å
78	K	94.8	Very high	96.7	Very high	125 Å²	125	61.7 Å²	61.7	54%	0.543	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	47.4	175.7	-58.2	179.4	-179.3	177.8	0	112.8	T18 R19 R74	T18-K78 CarbonylContact C-O 3.5Å; T18-K78 WeakPolarHBondContact CA-O 3.3Å; T18-K78 VanDerWaalsContact CB-O 3.3Å; T18-K78 WeakPolarHBondContact CB-O 3.06Å; R19-K78 PolarHBondContact N-O 3.35Å; R74-K78 WeakPolarHBondContact O-CA 3.5Å; R74-K78 PolarHBondContact O-N 2.91Å; R74-K78 VanDerWaalsContact O-N 3.09Å
79	I	97	Very high	96.7	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.026	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-84	136.4	179.6	-42.2	175.4	0	0	0	109.2	R19 W21 Q73 R74 H77 D104	R19-I79 HydrophobicContact CG-CG1 4.28Å; R19-I79 VanDerWaalsContact CZ-CG1 3.46Å; R19-I79 VanDerWaalsContact NH2-CD1 3.33Å; R19-I79 CarbonylContact O-C 3.43Å; R19-I79 VanDerWaalsContact O-CA 3.29Å; R19-I79 WeakPolarHBondContact O-CA 3.49Å; W21-I79 HydrophobicContact CB-CG2 4.42Å; W21-I79 HydrophobicContact CD2-CD1 4.03Å; W21-I79 HydrophobicContact CD2-CG2 3.85Å; W21-I79 HydrophobicContact CE3-CD1 3.71Å; W21-I79 HydrophobicContact CG-CG2 3.76Å; W21-I79 HydrophobicContact CH2-CD1 3.86Å; W21-I79 HydrophobicContact CZ2-CD1 4.17Å; W21-I79 HydrophobicContact CZ2-CG2 4.46Å; W21-I79 HydrophobicContact CZ3-CD1 3.62Å; Q73-I79 HydrophobicContact CG-CD1 4.16Å; R74-I79 HydrophobicContact CB-CB 4.36Å; R74-I79 WeakPolarHBondContact CD-O 3.17Å; R74-I79 HydrophobicContact CG-CB 3.95Å; R74-I79 WeakPolarHBondContact CG-O 3.18Å; R74-I79 PolarHBondContact O-N 3.07Å; H77-I79 VanDerWaalsContact C-N 3.28Å; H77-I79 HydrophobicContact CB-CD1 4.43Å; H77-I79 HydrophobicContact CB-CG1 4.15Å; H77-I79 PolarHBondContact O-N 3.3Å; I79-D104 WeakPolarHBondContact CD1-OD2 3.33Å
80	K	96	Very high	96.7	Very high	119 Å²	119	61.1 Å²	61.1	52%	0.517	30%	0.303	S	S	.	.			trans	-65	141.7	175.8	-168.7	-174.9	-178.9	-180	0	110.7	R19 E20	R19-K80 PolarHBondContact O-N 3.14Å; E20-K80 WeakPolarHBondContact OE1-CD 3.25Å; E20-K80 IonicContact OE1-NZ 3.33Å
81	G	94.9	Very high	96.5	Very high	43 Å²	43	66 Å²	66	44%	0.443	34%	0.337	S	S	.	.			trans	150.9	-169.3	176.9	0	0	0	0	0	112.6	R74	R74-G81 PolarHBondContact NH1-O 3.34Å
82	S	96.4	Very high	96.4	Very high	55 Å²	55	70.1 Å²	70.1	39%	0.385	36%	0.358	S	S	.	.			trans	-137.2	153.6	179	69.2	0	0	0	0	110.9	T84 N85 D86	S82-T84 PolarHBondContact O-N 3.48Å; S82-N85 WeakPolarHBondContact O-CB 3.4Å; S82-N85 PolarHBondContact O-N 2.91Å; S82-N85 VanDerWaalsContact O-N 3.07Å; S82-N85 WeakPolarHBondContact OG-CB 3.24Å; S82-N85 PolarHBondContact OG-N 2.79Å; S82-D86 PolarHBondContact O-N 3.33Å
83	I	97.6	Very high	96.3	Very high	82 Å²	82	68 Å²	68	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-53.7	-44.5	174.6	-67.6	174.5	0	0	0	110.6	M71 F75 N85 D86 F87	M71-I83 HydrophobicContact SD-CB 4.28Å; M71-I83 HydrophobicContact SD-CG1 4.05Å; M71-I83 HydrophobicContact SD-CG2 3.69Å; F75-I83 HydrophobicContact CE2-CG1 4.49Å; F75-I83 HydrophobicContact CZ-CD1 4.13Å; F75-I83 HydrophobicContact CZ-CG1 4.03Å; I83-N85 VanDerWaalsContact C-N 3.31Å; I83-N85 PolarHBondContact O-N 3.33Å; I83-D86 WeakPolarHBondContact O-CB 3.49Å; I83-D86 PolarHBondContact O-N 3.28Å; I83-D86 VanDerWaalsContact O-N 3.14Å; I83-F87 HydrophobicContact CG2-CD2 3.74Å; I83-F87 HydrophobicContact CG2-CE2 3.85Å; I83-F87 WeakPolarHBondContact O-CD2 3.37Å; I83-F87 PolarHBondContact O-N 3.07Å
84	T	97.7	Very high	96.3	Very high	101 Å²	101	70 Å²	70	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-58.7	-43.6	178.2	-50.3	0	0	0	0	111.6	S82 D86 F87 V88	S82-T84 PolarHBondContact O-N 3.48Å; T84-D86 VanDerWaalsContact C-N 3.35Å; T84-F87 PolarHBondContact O-N 3.44Å; T84-V88 HydrophobicContact CG2-CG2 4.25Å; T84-V88 WeakPolarHBondContact O-CB 3.35Å; T84-V88 VanDerWaalsContact O-CG2 3.22Å; T84-V88 WeakPolarHBondContact O-CG2 3.4Å; T84-V88 PolarHBondContact O-N 3.21Å
85	N	96.9	Very high	96.3	Very high	67 Å²	67	71.4 Å²	71.4	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.8	-174.6	-102.1	0	0	0	111.3	S82 I83 F87 V88 L89	S82-N85 WeakPolarHBondContact O-CB 3.4Å; S82-N85 PolarHBondContact O-N 2.91Å; S82-N85 VanDerWaalsContact O-N 3.07Å; S82-N85 WeakPolarHBondContact OG-CB 3.24Å; S82-N85 PolarHBondContact OG-N 2.79Å; I83-N85 VanDerWaalsContact C-N 3.31Å; I83-N85 PolarHBondContact O-N 3.33Å; N85-F87 VanDerWaalsContact C-N 3.33Å; N85-F87 PolarHBondContact O-N 3.48Å; N85-V88 PolarHBondContact O-N 3.47Å; N85-L89 WeakPolarHBondContact O-CB 3.21Å; N85-L89 VanDerWaalsContact O-CG 3.28Å; N85-L89 WeakPolarHBondContact O-CG 3.47Å; N85-L89 PolarHBondContact O-N 3.06Å; N85-L89 WeakPolarHBondContact OD1-CD1 3.48Å
86	D	97.8	Very high	96.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-42.4	178.7	-64.6	-33.3	0	0	0	112.4	R70 M71 R74 S82 I83 T84 S90	R70-D86 HydrophobicContact CB-CB 4.46Å; R70-D86 VanDerWaalsContact CD-OD1 3.24Å; R70-D86 WeakPolarHBondContact CD-OD1 3.43Å; R70-D86 HydrophobicContact CG-CB 4.2Å; R70-D86 WeakPolarHBondContact CG-OD1 3.37Å; R70-D86 IonicContact NE-OD1 2.79Å; R70-D86 PolarHBondContact NE-OD1 3.31Å; M71-D86 HydrophobicContact CG-CB 3.9Å; R74-D86 IonicContact CZ-OD2 2.93Å; R74-D86 IonicContact NE-OD1 3.08Å; R74-D86 IonicContact NE-OD2 3.57Å; R74-D86 PolarHBondContact NE-OD2 2.87Å; R74-D86 IonicContact NH2-OD2 3.64Å; S82-D86 PolarHBondContact O-N 3.33Å; I83-D86 WeakPolarHBondContact O-CB 3.49Å; I83-D86 PolarHBondContact O-N 3.28Å; I83-D86 VanDerWaalsContact O-N 3.14Å; T84-D86 VanDerWaalsContact C-N 3.35Å; D86-S90 VanDerWaalsContact O-CB 3.25Å; D86-S90 WeakPolarHBondContact O-CB 3.06Å; D86-S90 PolarHBondContact O-N 2.89Å; D86-S90 PolarHBondContact O-OG 3.42Å
87	F	96.1	Very high	96.6	Very high	99 Å²	99	58 Å²	58	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-67.9	-50.8	174.9	-89.5	-81.8	0	0	0	112.2	M71 I83 T84 N85 L89 S90 C91	M71-F87 HydrophobicContact CE-CD2 4.37Å; M71-F87 HydrophobicContact CE-CE2 3.47Å; M71-F87 VanDerWaalsContact CE-CE2 3.47Å; M71-F87 HydrophobicContact CE-CZ 3.8Å; M71-F87 HydrophobicContact SD-CD2 4.24Å; M71-F87 HydrophobicContact SD-CE2 3.7Å; I83-F87 HydrophobicContact CG2-CD2 3.74Å; I83-F87 HydrophobicContact CG2-CE2 3.85Å; I83-F87 WeakPolarHBondContact O-CD2 3.37Å; I83-F87 PolarHBondContact O-N 3.07Å; T84-F87 PolarHBondContact O-N 3.44Å; N85-F87 VanDerWaalsContact C-N 3.33Å; N85-F87 PolarHBondContact O-N 3.48Å; F87-L89 PolarHBondContact O-N 3Å; F87-S90 WeakPolarHBondContact O-CB 3.45Å; F87-S90 PolarHBondContact O-N 3.14Å; F87-S90 VanDerWaalsContact O-N 3.15Å; F87-C91 PolarHBondContact O-N 2.75Å; F87-C91 PolarHBondContact O-SG 2.81Å; F87-C91 VanDerWaalsContact O-SG 3.36Å
88	V	97.7	Very high	96.8	Very high	70 Å²	70	56.1 Å²	56.1	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-45.7	-177.1	168.3	0	0	0	0	111.1	T84 N85 S90 C91 I92	T84-V88 HydrophobicContact CG2-CG2 4.25Å; T84-V88 WeakPolarHBondContact O-CB 3.35Å; T84-V88 VanDerWaalsContact O-CG2 3.22Å; T84-V88 WeakPolarHBondContact O-CG2 3.4Å; T84-V88 PolarHBondContact O-N 3.21Å; N85-V88 PolarHBondContact O-N 3.47Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 2.89Å; V88-C91 PolarHBondContact O-N 3.25Å; V88-I92 HydrophobicContact CG1-CD1 3.52Å; V88-I92 HydrophobicContact CG1-CG1 4.25Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.39Å; V88-I92 PolarHBondContact O-N 3.2Å
89	L	97.6	Very high	96.9	Very high	31 Å²	31	50.2 Å²	50.2	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-36.3	177.6	-65.8	-176.3	0	0	0	112.1	L25 N85 F87 C91 I92 C93 V97	L25-L89 HydrophobicContact CD2-CB 4.31Å; L25-L89 HydrophobicContact CD2-CD1 4.13Å; L25-L89 HydrophobicContact CD2-CD2 3.74Å; L25-L89 HydrophobicContact CD2-CG 4.26Å; N85-L89 WeakPolarHBondContact O-CB 3.21Å; N85-L89 VanDerWaalsContact O-CG 3.28Å; N85-L89 WeakPolarHBondContact O-CG 3.47Å; N85-L89 PolarHBondContact O-N 3.06Å; N85-L89 WeakPolarHBondContact OD1-CD1 3.48Å; F87-L89 PolarHBondContact O-N 3Å; L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å; L89-I92 PolarHBondContact O-N 2.73Å; L89-C93 PolarHBondContact O-N 3.26Å; L89-V97 HydrophobicContact CB-CG2 4.14Å; L89-V97 WeakPolarHBondContact O-CG2 3.46Å
90	S	96.8	Very high	97	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-31.8	174.6	-67	0	0	0	0	112.7	T66 G67 D86 F87 V88 T94	T66-S90 WeakPolarHBondContact OG1-CB 3.17Å; T66-S90 PolarHBondContact OG1-OG 3.21Å; G67-S90 WeakPolarHBondContact CA-OG 3.21Å; G67-S90 PolarHBondContact N-OG 3.06Å; D86-S90 VanDerWaalsContact O-CB 3.25Å; D86-S90 WeakPolarHBondContact O-CB 3.06Å; D86-S90 PolarHBondContact O-N 2.89Å; D86-S90 PolarHBondContact O-OG 3.42Å; F87-S90 WeakPolarHBondContact O-CB 3.45Å; F87-S90 PolarHBondContact O-N 3.14Å; F87-S90 VanDerWaalsContact O-N 3.15Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 2.89Å; S90-T94 PolarHBondContact O-N 2.06Å; S90-T94 PolarHBondContact O-OG1 2.92Å
91	C	95.4	Very high	97.1	Very high	107 Å²	107	44.7 Å²	44.7	72%	0.723	26%	0.263	S	S	*	.	H	α-helix	trans	-79.8	-37.8	174.2	-65.2	0	0	0	0	112.9	F87 V88 L89	F87-C91 PolarHBondContact O-N 2.75Å; F87-C91 PolarHBondContact O-SG 2.81Å; F87-C91 VanDerWaalsContact O-SG 3.36Å; V88-C91 PolarHBondContact O-N 3.25Å; L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å
92	I	95	Very high	97.2	Very high	117 Å²	117	43.6 Å²	43.6	60%	0.6	25%	0.246	S	C	*	.	H	α-helix	trans	-71.8	-47.4	-177.4	-71.1	171.8	0	0	0	111.6	V88 L89	V88-I92 HydrophobicContact CG1-CD1 3.52Å; V88-I92 HydrophobicContact CG1-CG1 4.25Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.39Å; V88-I92 PolarHBondContact O-N 3.2Å; L89-I92 PolarHBondContact O-N 2.73Å
93	C	96	Very high	97.3	Very high	30 Å²	30	41.8 Å²	41.8	20%	0.203	23%	0.231	C	C	.	.			trans	-147.9	82	178.5	-172.2	0	0	0	0	111.1	F26 L89 Q95 C96 V97	F26-C93 HydrophobicContact CE1-CB 4.37Å; L89-C93 PolarHBondContact O-N 3.26Å; C93-Q95 PolarHBondContact O-N 3.01Å; C93-C96 HydrophobicContact CB-CB 3.7Å; C93-C96 WeakPolarHBondContact CB-SG 3.31Å; C93-C96 PolarHBondContact O-N 2.9Å; C93-C96 WeakPolarHBondContact SG-CB 3.35Å; C93-C96 PolarHBondContact SG-N 3.22Å; C93-C96 CovalentContact SG-SG 2.06Å; C93-C96 PolarHBondContact SG-SG 3.1Å; C93-V97 WeakPolarHBondContact O-CG2 3.37Å; C93-V97 PolarHBondContact O-N 3.11Å
94	T	96.8	Very high	97.3	Very high	49 Å²	49	37.9 Å²	37.9	30%	0.301	21%	0.211	S	C	.	.	H	α-helix	trans	-54	-39.9	176.8	-43.3	0	0	0	0	111.9	T66 S90 V97 M98	T66-T94 HydrophobicContact CG2-CG2 3.55Å; S90-T94 PolarHBondContact O-N 2.06Å; S90-T94 PolarHBondContact O-OG1 2.92Å; T94-V97 WeakPolarHBondContact O-CB 3.24Å; T94-V97 PolarHBondContact O-N 2.68Å; T94-M98 HydrophobicContact CG2-CE 3.67Å; T94-M98 WeakPolarHBondContact O-CG 3.14Å; T94-M98 PolarHBondContact O-N 3.41Å
95	Q	97.1	Very high	97.3	Very high	52 Å²	52	33.5 Å²	33.5	24%	0.243	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-40.9	-178.1	-46.8	-46.4	-14.4	0	0	112.9	A38 L39 C93 V97 M98 C99	A38-Q95 HydrophobicContact CB-CB 4.02Å; A38-Q95 PolarHBondContact O-OE1 3.21Å; L39-Q95 HydrophobicContact CD2-CG 4.43Å; C93-Q95 PolarHBondContact O-N 3.01Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 2.67Å; Q95-M98 PolarHBondContact O-N 2.88Å; Q95-C99 PolarHBondContact O-N 2.89Å; Q95-C99 VanDerWaalsContact O-N 3.08Å; Q95-C99 PolarHBondContact O-SG 3.37Å
96	C	97.7	Very high	97.3	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.081	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-42	173.7	-51.3	0	0	0	0	110.6	L25 F26 C93 C99 Q100	L25-C96 HydrophobicContact CD1-CB 3.75Å; L25-C96 HydrophobicContact CG-CB 3.83Å; L25-C96 WeakPolarHBondContact O-CB 3.4Å; F26-C96 HydrophobicContact CD1-CB 4.46Å; C93-C96 HydrophobicContact CB-CB 3.7Å; C93-C96 WeakPolarHBondContact CB-SG 3.31Å; C93-C96 PolarHBondContact O-N 2.9Å; C93-C96 WeakPolarHBondContact SG-CB 3.35Å; C93-C96 PolarHBondContact SG-N 3.22Å; C93-C96 CovalentContact SG-SG 2.06Å; C93-C96 PolarHBondContact SG-SG 3.1Å; C96-C99 PolarHBondContact O-N 2.88Å; C96-Q100 WeakPolarHBondContact O-CB 3.43Å; C96-Q100 PolarHBondContact O-N 2.79Å
97	V	98.3	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-42.6	177.3	175.6	0	0	0	0	111.3	L25 T66 R70 L89 C93 T94 Q95 C99 Q100 L101	L25-V97 HydrophobicContact CD1-CB 4.36Å; L25-V97 HydrophobicContact CD1-CG2 3.58Å; T66-V97 HydrophobicContact CG2-CB 4.46Å; T66-V97 HydrophobicContact CG2-CG1 4.15Å; R70-V97 HydrophobicContact CB-CG1 4.49Å; L89-V97 HydrophobicContact CB-CG2 4.14Å; L89-V97 WeakPolarHBondContact O-CG2 3.46Å; C93-V97 WeakPolarHBondContact O-CG2 3.37Å; C93-V97 PolarHBondContact O-N 3.11Å; T94-V97 WeakPolarHBondContact O-CB 3.24Å; T94-V97 PolarHBondContact O-N 2.68Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 2.67Å; V97-C99 VanDerWaalsContact C-N 3.31Å; V97-C99 PolarHBondContact O-N 3.47Å; V97-Q100 PolarHBondContact O-N 2.92Å; V97-L101 HydrophobicContact CG1-CD1 3.85Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.17Å; V97-L101 PolarHBondContact O-N 3.24Å
98	M	98.5	Very high	97.2	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-44.3	174.7	-69.5	-172.4	-162.6	0	0	111.6	A38 P42 Y45 L46 L49 T66 T94 Q95 L101 K102	A38-M98 HydrophobicContact CB-CB 4.32Å; A38-M98 HydrophobicContact CB-SD 4.44Å; P42-M98 HydrophobicContact CB-CE 4.11Å; Y45-M98 HydrophobicContact CD1-CB 4.08Å; Y45-M98 HydrophobicContact CD1-SD 3.77Å; Y45-M98 HydrophobicContact CE1-CB 3.83Å; Y45-M98 HydrophobicContact CE1-SD 4.48Å; L46-M98 HydrophobicContact CB-CE 3.82Å; L46-M98 HydrophobicContact CB-SD 4.25Å; L46-M98 HydrophobicContact CD1-CE 4.23Å; L46-M98 HydrophobicContact CD1-CG 4.47Å; L46-M98 HydrophobicContact CD2-CE 4.21Å; L46-M98 HydrophobicContact CG-CE 4.31Å; L49-M98 HydrophobicContact CD1-CB 3.63Å; L49-M98 HydrophobicContact CD1-CG 3.9Å; T66-M98 HydrophobicContact CG2-CE 4.14Å; T66-M98 HydrophobicContact CG2-CG 3.5Å; T94-M98 HydrophobicContact CG2-CE 3.67Å; T94-M98 WeakPolarHBondContact O-CG 3.14Å; T94-M98 PolarHBondContact O-N 3.41Å; Q95-M98 PolarHBondContact O-N 2.88Å; M98-L101 PolarHBondContact O-N 3.37Å; M98-K102 PolarHBondContact O-N 2.74Å
99	C	98.2	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-43	177.9	-62	0	0	0	0	112.4	C28 Q95 C96 V97 K102 R103	C28-C99 HydrophobicContact CB-CB 3.95Å; Q95-C99 PolarHBondContact O-N 2.89Å; Q95-C99 VanDerWaalsContact O-N 3.08Å; Q95-C99 PolarHBondContact O-SG 3.37Å; C96-C99 PolarHBondContact O-N 2.88Å; V97-C99 VanDerWaalsContact C-N 3.31Å; V97-C99 PolarHBondContact O-N 3.47Å; C99-K102 PolarHBondContact O-N 3.18Å; C99-R103 PolarHBondContact O-N 3.26Å
100	Q	98.2	Very high	96.8	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-42	177.4	-170.8	-179.7	34.6	0	0	111.3	W21 S23 R70 C96 V97 R103 D104	W21-Q100 HydrophobicContact CE3-CG 4.33Å; S23-Q100 PolarHBondContact O-NE2 3.4Å; R70-Q100 VanDerWaalsContact CZ-OE1 3.28Å; C96-Q100 WeakPolarHBondContact O-CB 3.43Å; C96-Q100 PolarHBondContact O-N 2.79Å; V97-Q100 PolarHBondContact O-N 2.92Å; Q100-R103 PolarHBondContact O-N 3.39Å; Q100-D104 WeakPolarHBondContact O-CB 3.22Å; Q100-D104 PolarHBondContact O-N 3.5Å
101	L	98.4	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-47.7	176.5	-80.2	167.2	0	0	0	111.5	W21 L69 R70 Q73 V97 M98 R103 D104 M105	W21-L101 HydrophobicContact CH2-CD2 4.13Å; W21-L101 HydrophobicContact CZ3-CD2 4.1Å; L69-L101 HydrophobicContact CB-CD1 4.3Å; L69-L101 HydrophobicContact CD2-CD1 4.13Å; L69-L101 HydrophobicContact CG-CD1 4.14Å; R70-L101 HydrophobicContact CB-CD1 4.33Å; R70-L101 HydrophobicContact CB-CD2 4.16Å; R70-L101 HydrophobicContact CG-CD2 4.38Å; Q73-L101 HydrophobicContact CB-CD2 3.85Å; Q73-L101 HydrophobicContact CG-CD2 4.09Å; V97-L101 HydrophobicContact CG1-CD1 3.85Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.17Å; V97-L101 PolarHBondContact O-N 3.24Å; M98-L101 PolarHBondContact O-N 3.37Å; L101-R103 PolarHBondContact O-N 3.29Å; L101-D104 PolarHBondContact O-N 3.08Å; L101-M105 HydrophobicContact CB-CE 4.19Å; L101-M105 HydrophobicContact CD2-CE 4.18Å; L101-M105 WeakPolarHBondContact O-CB 3.13Å; L101-M105 VanDerWaalsContact O-CG 3.24Å; L101-M105 WeakPolarHBondContact O-CG 3.39Å; L101-M105 PolarHBondContact O-N 2.99Å
102	K	98.1	Very high	96	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-49.7	179.5	-177.3	57.3	172.2	68.6	0	112.1	Y45 Y48 L49 Y52 M98 C99 D104 M105 D106	Y45-K102 WeakPolarHBondContact OH-CB 3.45Å; Y45-K102 WeakPolarHBondContact OH-CG 3.27Å; Y48-K102 HydrophobicContact CE1-CD 4.11Å; Y48-K102 VanDerWaalsContact OH-CE 3.31Å; Y48-K102 WeakPolarHBondContact OH-CE 3.01Å; L49-K102 HydrophobicContact CD2-CB 3.8Å; L49-K102 HydrophobicContact CD2-CD 3.83Å; L49-K102 HydrophobicContact CD2-CG 4.26Å; Y52-K102 HydrophobicContact CD1-CD 4.35Å; Y52-K102 HydrophobicContact CE1-CD 4.28Å; M98-K102 PolarHBondContact O-N 2.74Å; C99-K102 PolarHBondContact O-N 3.18Å; K102-D104 PolarHBondContact O-N 2.96Å; K102-M105 PolarHBondContact O-N 2.95Å; K102-D106 IonicContact NZ-OD1 2.67Å; K102-D106 PolarHBondContact NZ-OD1 3.41Å; K102-D106 IonicContact NZ-OD2 2.68Å; K102-D106 PolarHBondContact NZ-OD2 3.31Å; K102-D106 PolarHBondContact O-N 3.32Å
103	R	97.5	Very high	95	Very high	18 Å²	18	40 Å²	40	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-39.6	179.4	-70.7	-171.6	-61.8	-92.1	1.7	112.7	S23 G24 Q27 D31 C99 Q100 L101 D106 Y107	S23-R103 PolarHBondContact OG-NE 2.87Å; G24-R103 PolarHBondContact O-NH2 3.17Å; Q27-R103 PolarHBondContact O-NH1 2.84Å; Q27-R103 PolarHBondContact O-NH2 3.31Å; D31-R103 HydrophobicContact CB-CG 4.47Å; C99-R103 PolarHBondContact O-N 3.26Å; Q100-R103 PolarHBondContact O-N 3.39Å; L101-R103 PolarHBondContact O-N 3.29Å; R103-D106 PolarHBondContact O-N 3.31Å; R103-Y107 WeakPolarHBondContact O-CB 3.46Å; R103-Y107 PolarHBondContact O-N 2.93Å
104	D	97.7	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-38.4	177.5	-168.1	88.6	0	0	0	111.9	R19 W21 E22 Q73 I79 Q100 L101 K102 Y107 V108	R19-D104 IonicContact CZ-OD1 3.5Å; R19-D104 IonicContact CZ-OD2 3.71Å; R19-D104 IonicContact NH1-OD1 2.75Å; R19-D104 PolarHBondContact NH1-OD1 2.88Å; R19-D104 IonicContact NH1-OD2 3.69Å; R19-D104 IonicContact NH2-OD1 3.25Å; R19-D104 PolarHBondContact NH2-OD1 3.38Å; R19-D104 IonicContact NH2-OD2 3.89Å; R19-D104 PolarHBondContact NH2-OD2 3.19Å; W21-D104 HydrophobicContact CE3-CB 3.88Å; W21-D104 HydrophobicContact CZ3-CB 4.06Å; E22-D104 PolarHBondContact N-OD1 3.3Å; E22-D104 VanDerWaalsContact N-OD1 3.14Å; Q73-D104 PolarHBondContact NE2-OD2 2.96Å; I79-D104 WeakPolarHBondContact CD1-OD2 3.33Å; Q100-D104 WeakPolarHBondContact O-CB 3.22Å; Q100-D104 PolarHBondContact O-N 3.5Å; L101-D104 PolarHBondContact O-N 3.08Å; K102-D104 PolarHBondContact O-N 2.96Å; D104-Y107 WeakPolarHBondContact O-CB 3.32Å; D104-Y107 PolarHBondContact O-N 3.39Å; D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.36Å
105	M	97.5	Very high	91.2	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-44.4	172.4	-68.2	168.7	-172	0	0	111.3	Y52 A53 L69 L101 K102 Y107 V108 I109	Y52-M105 HydrophobicContact CD1-CB 3.87Å; Y52-M105 HydrophobicContact CD1-CG 4.4Å; Y52-M105 HydrophobicContact CD1-SD 3.76Å; Y52-M105 HydrophobicContact CE1-CB 3.74Å; A53-M105 HydrophobicContact CB-CE 3.88Å; A53-M105 HydrophobicContact CB-SD 4.34Å; L69-M105 HydrophobicContact CD1-CE 4.08Å; L69-M105 HydrophobicContact CD2-CE 4.15Å; L69-M105 HydrophobicContact CG-CE 4Å; L101-M105 HydrophobicContact CB-CE 4.19Å; L101-M105 HydrophobicContact CD2-CE 4.18Å; L101-M105 WeakPolarHBondContact O-CB 3.13Å; L101-M105 VanDerWaalsContact O-CG 3.24Å; L101-M105 WeakPolarHBondContact O-CG 3.39Å; L101-M105 PolarHBondContact O-N 2.99Å; K102-M105 PolarHBondContact O-N 2.95Å; M105-Y107 VanDerWaalsContact C-N 3.29Å; M105-Y107 PolarHBondContact O-N 3.47Å; M105-V108 PolarHBondContact O-N 2.9Å; M105-I109 VanDerWaalsContact O-CG1 3.29Å; M105-I109 WeakPolarHBondContact O-CG1 3.28Å; M105-I109 PolarHBondContact O-N 2.55Å
106	D	96.6	Very high	90.9	Very high	50 Å²	50	48.8 Å²	48.8	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-41	175.3	-67	-26.3	0	0	0	111.7	Y52 K102 R103 K110	Y52-D106 PolarHBondContact OH-OD1 3.4Å; K102-D106 IonicContact NZ-OD1 2.67Å; K102-D106 PolarHBondContact NZ-OD1 3.41Å; K102-D106 IonicContact NZ-OD2 2.68Å; K102-D106 PolarHBondContact NZ-OD2 3.31Å; K102-D106 PolarHBondContact O-N 3.32Å; R103-D106 PolarHBondContact O-N 3.31Å; D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.45Å; D106-K110 PolarHBondContact O-N 3.5Å
107	Y	96	Very high	90.5	Very high	97 Å²	97	50.7 Å²	50.7	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-46.4	175.3	171.5	-94.1	0	0	0	111.8	E22 R103 D104 M105 K110 N111	E22-Y107 HydrophobicContact CB-CD1 4.05Å; E22-Y107 HydrophobicContact CB-CD2 4.11Å; E22-Y107 HydrophobicContact CB-CG 3.74Å; E22-Y107 HydrophobicContact CG-CD1 4.34Å; E22-Y107 HydrophobicContact CG-CD2 3.48Å; E22-Y107 VanDerWaalsContact CG-CD2 3.48Å; E22-Y107 HydrophobicContact CG-CE2 4.19Å; E22-Y107 HydrophobicContact CG-CG 3.57Å; R103-Y107 WeakPolarHBondContact O-CB 3.46Å; R103-Y107 PolarHBondContact O-N 2.93Å; D104-Y107 WeakPolarHBondContact O-CB 3.32Å; D104-Y107 PolarHBondContact O-N 3.39Å; M105-Y107 VanDerWaalsContact C-N 3.29Å; M105-Y107 PolarHBondContact O-N 3.47Å; Y107-K110 PolarHBondContact O-N 3.08Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.2Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.42Å; Y107-N111 PolarHBondContact O-N 3.27Å; Y107-N111 VanDerWaalsContact O-N 3.11Å; Y107-N111 PolarHBondContact O-ND2 3.2Å
108	V	95.7	Very high	90.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-50.8	177.1	168.9	0	0	0	0	110.5	R19 H77 D104 M105 K110 N111 D112	R19-V108 VanDerWaalsContact NH2-CG2 3.27Å; H77-V108 HydrophobicContact CB-CG2 4.31Å; H77-V108 WeakPolarHBondContact CE1-CG1 3.46Å; D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.36Å; M105-V108 PolarHBondContact O-N 2.9Å; V108-K110 PolarHBondContact O-N 3.32Å; V108-N111 PolarHBondContact O-N 3.26Å; V108-N111 VanDerWaalsContact O-N 3.1Å; V108-D112 HydrophobicContact CG1-CB 4.36Å; V108-D112 WeakPolarHBondContact O-CB 3.19Å; V108-D112 PolarHBondContact O-N 3.28Å
109	I	94.3	Very high	89.6	Confident	59 Å²	59	56.4 Å²	56.4	30%	0.303	30%	0.303	S	S	.	.	H	α-helix	trans	-57.2	-39.6	-179.6	-70.1	163.1	0	0	0	110.8	Y52 M105 G113 D114	Y52-I109 HydrophobicContact CD1-CD1 4.48Å; Y52-I109 HydrophobicContact CE1-CD1 3.51Å; Y52-I109 VanDerWaalsContact OH-CD1 3.24Å; Y52-I109 WeakPolarHBondContact OH-CD1 3.37Å; M105-I109 VanDerWaalsContact O-CG1 3.29Å; M105-I109 WeakPolarHBondContact O-CG1 3.28Å; M105-I109 PolarHBondContact O-N 2.55Å; I109-G113 WeakPolarHBondContact O-CA 3.36Å; I109-G113 PolarHBondContact O-N 3.23Å; I109-D114 WeakPolarHBondContact CG1-O 3.46Å
110	K	93.7	Very high	89	Confident	179 Å²	179	59.9 Å²	59.9	78%	0.778	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-36.1	179.3	-176.6	-179.8	176.4	-175.1	0	113.6	D106 Y107 V108	D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.45Å; D106-K110 PolarHBondContact O-N 3.5Å; Y107-K110 PolarHBondContact O-N 3.08Å; V108-K110 PolarHBondContact O-N 3.32Å
111	N	91.7	Very high	88.4	Confident	89 Å²	89	63.3 Å²	63.3	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-97.9	-37.8	-173	-67.6	-73.7	0	0	0	113.4	Y107 V108	Y107-N111 WeakPolarHBondContact CD2-ND2 3.2Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.42Å; Y107-N111 PolarHBondContact O-N 3.27Å; Y107-N111 VanDerWaalsContact O-N 3.11Å; Y107-N111 PolarHBondContact O-ND2 3.2Å; V108-N111 PolarHBondContact O-N 3.26Å; V108-N111 VanDerWaalsContact O-N 3.1Å
112	D	82.7	Confident	87.7	Confident	102 Å²	102	67.9 Å²	67.9	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-102.4	-16.7	-173.6	-63.9	-15.4	0	0	0	112.3	V108 D114	V108-D112 HydrophobicContact CG1-CB 4.36Å; V108-D112 WeakPolarHBondContact O-CB 3.19Å; V108-D112 PolarHBondContact O-N 3.28Å; D112-D114 PolarHBondContact O-N 3.3Å
113	G	73.4	Confident	86.9	Confident	59 Å²	59	71.5 Å²	71.5	61%	0.608	39%	0.386	S	S	*	.			trans	70.6	3.3	179.8	0	0	0	0	0	115.3	I109	I109-G113 WeakPolarHBondContact O-CA 3.36Å; I109-G113 PolarHBondContact O-N 3.23Å
114	D	64.1	Low	86.1	Confident	113 Å²	113	76 Å²	76	60%	0.604	41%	0.412	S	S	*	.			trans	-81.6	132	-178.6	-87.7	-22.3	0	0	0	112.4	I109 D112	I109-D114 WeakPolarHBondContact CG1-O 3.46Å; D112-D114 PolarHBondContact O-N 3.3Å
115	V	49.2	Very low	85	Confident	152 Å²	152	82.9 Å²	82.9	92%	0.921	45%	0.45	S	S	*	.			trans	-110.7	0	165.4	175.5	0	0	0	0	107.5	N54	N54-V115 VanDerWaalsContact ND2-C 3.29Å; N54-V115 VanDerWaalsContact ND2-CG1 3.28Å; N54-V115 WeakPolarHBondContact ND2-CG1 3.46Å; N54-V115 PolarHBondContact ND2-OXT 3.14Å

Retrieved 115 of 115 residues in 163.2 ms (Link to these results)

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