A0A077ZES4_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZES4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 aa.

						>A0A077ZES4_TRITR|A0A077ZES4
MGQFWSSAYEGWKDPSIKPDRVKPPVFDPLYGFPRGRKKREMVATDEEMDRWKLHPRERDYCAHFLIDHLRCMDHYRPWAYWNCKHERHALEKCQWEDMLLRMKEYERERRLLKREKALKKKSTSSGSAMPAVG
					

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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	57.6	Low	81.1	Confident	190 Å²	190	85.7 Å²	85.7	94%	0.936	44%	0.436	S	S	*	.				0	114.4	0	-67.2	-62.5	-99.9	0	0	108.1	W5	M1-W5 HydrophobicContact CB-CB 4.02Å; M1-W5 HydrophobicContact CB-CG 4.47Å; M1-W5 HydrophobicContact CE-CB 4.17Å; M1-W5 HydrophobicContact CE-CD2 3.91Å; M1-W5 HydrophobicContact CE-CE3 4.21Å; M1-W5 HydrophobicContact CE-CG 3.9Å; M1-W5 HydrophobicContact SD-CG 4.33Å
2	G	77.8	Confident	81.6	Confident	47 Å²	47	94.9 Å²	94.9	49%	0.485	46%	0.461	S	S	.	.			trans	-64.1	171.6	-175.5	0	0	0	0	0	114.3	F4 W5 S6	G2-F4 PolarHBondContact O-N 3.37Å; G2-F4 VanDerWaalsContact O-N 3.08Å; G2-W5 PolarHBondContact O-N 2.91Å; G2-S6 PolarHBondContact O-N 3.3Å
3	Q	77.2	Confident	82.4	Confident	123 Å²	123	97 Å²	97	58%	0.575	47%	0.466	S	S	*	.	H	α-helix	trans	-55	-29.5	-177.2	-179.3	64.2	-4.3	0	0	114.2	S6 S7	Q3-S6 WeakPolarHBondContact CA-OG 3.49Å; Q3-S6 PolarHBondContact O-OG 2.84Å; Q3-S6 PolarHBondContact OE1-OG 2.81Å; Q3-S6 VanDerWaalsContact OE1-OG 3.11Å; Q3-S7 WeakPolarHBondContact O-CB 3.17Å; Q3-S7 PolarHBondContact O-N 3.43Å; Q3-S7 VanDerWaalsContact O-N 3.08Å; Q3-S7 PolarHBondContact O-OG 3.02Å
4	F	79.5	Confident	82.8	Confident	128 Å²	128	94.9 Å²	94.9	56%	0.561	46%	0.459	S	S	*	.	H	α-helix	trans	-60.4	-49.4	173.6	175.1	-102.5	0	0	0	111.6	G2 S6 S7 A8	G2-F4 PolarHBondContact O-N 3.37Å; G2-F4 VanDerWaalsContact O-N 3.08Å; F4-S6 PolarHBondContact O-N 3.28Å; F4-S7 PolarHBondContact O-N 3.07Å; F4-S7 PolarHBondContact O-OG 3.05Å; F4-A8 WeakPolarHBondContact O-CB 3.04Å; F4-A8 PolarHBondContact O-N 3.37Å
5	W	82	Confident	83.3	Confident	148 Å²	148	95 Å²	95	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-64.9	-38.7	-179	-67.8	106.3	0	0	0	112.6	M1 G2 A8 Y9	M1-W5 HydrophobicContact CB-CB 4.02Å; M1-W5 HydrophobicContact CB-CG 4.47Å; M1-W5 HydrophobicContact CE-CB 4.17Å; M1-W5 HydrophobicContact CE-CD2 3.91Å; M1-W5 HydrophobicContact CE-CE3 4.21Å; M1-W5 HydrophobicContact CE-CG 3.9Å; M1-W5 HydrophobicContact SD-CG 4.33Å; G2-W5 PolarHBondContact O-N 2.91Å; W5-A8 PolarHBondContact O-N 2.98Å; W5-Y9 WeakPolarHBondContact O-CB 3.39Å; W5-Y9 PolarHBondContact O-N 2.83Å
6	S	83.3	Confident	83.6	Confident	41 Å²	41	93.4 Å²	93.4	29%	0.287	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-44.6	175	63.6	0	0	0	0	111	G2 Q3 F4 A8 Y9 E10	G2-S6 PolarHBondContact O-N 3.3Å; Q3-S6 WeakPolarHBondContact CA-OG 3.49Å; Q3-S6 PolarHBondContact O-OG 2.84Å; Q3-S6 PolarHBondContact OE1-OG 2.81Å; Q3-S6 VanDerWaalsContact OE1-OG 3.11Å; F4-S6 PolarHBondContact O-N 3.28Å; S6-A8 PolarHBondContact O-N 2.9Å; S6-Y9 PolarHBondContact O-N 3.06Å; S6-E10 WeakPolarHBondContact O-CG 3.48Å; S6-E10 PolarHBondContact O-N 3.44Å
7	S	83.8	Confident	84	Confident	21 Å²	21	88.7 Å²	88.7	15%	0.147	45%	0.448	C	S	.	.	H	α-helix	trans	-65	-40.2	178.6	74	0	0	0	0	113.7	Q3 F4 G11 R110	Q3-S7 WeakPolarHBondContact O-CB 3.17Å; Q3-S7 PolarHBondContact O-N 3.43Å; Q3-S7 VanDerWaalsContact O-N 3.08Å; Q3-S7 PolarHBondContact O-OG 3.02Å; F4-S7 PolarHBondContact O-N 3.07Å; F4-S7 PolarHBondContact O-OG 3.05Å; S7-G11 PolarHBondContact O-N 3.07Å; S7-R110 VanDerWaalsContact CB-CZ 3.4Å; S7-R110 VanDerWaalsContact CB-NH1 3.25Å
8	A	86.7	Confident	84.3	Confident	45 Å²	45	90.3 Å²	90.3	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-67.5	-43.8	176.8	0	0	0	0	0	111.1	F4 W5 S6 G11 W12	F4-A8 WeakPolarHBondContact O-CB 3.04Å; F4-A8 PolarHBondContact O-N 3.37Å; W5-A8 PolarHBondContact O-N 2.98Å; S6-A8 PolarHBondContact O-N 2.9Å; A8-G11 PolarHBondContact O-N 3.43Å; A8-W12 WeakPolarHBondContact O-CB 3.45Å; A8-W12 PolarHBondContact O-N 3.01Å
9	Y	88.2	Confident	84.7	Confident	126 Å²	126	85.7 Å²	85.7	49%	0.494	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-42.5	178.3	-179.6	-111	0	0	0	112.5	W5 S6 W12 K13	W5-Y9 WeakPolarHBondContact O-CB 3.39Å; W5-Y9 PolarHBondContact O-N 2.83Å; S6-Y9 PolarHBondContact O-N 3.06Å; Y9-W12 HydrophobicContact CD2-CE3 4.16Å; Y9-W12 HydrophobicContact CE2-CE3 4.15Å; Y9-W12 HydrophobicContact CE2-CZ3 4.14Å; Y9-W12 PolarHBondContact O-N 3.11Å; Y9-K13 HydrophobicContact CD1-CD 4.34Å; Y9-K13 HydrophobicContact CE1-CD 3.85Å; Y9-K13 VanDerWaalsContact CZ-NZ 3.34Å; Y9-K13 PolarHBondContact O-N 2.85Å; Y9-K13 WeakPolarHBondContact OH-CE 3.46Å; Y9-K13 PolarHBondContact OH-NZ 3.49Å
10	E	87.6	Confident	84.9	Confident	69 Å²	69	85.1 Å²	85.1	32%	0.322	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-41.7	173.4	-75.3	179.2	-148.9	0	0	112.4	S6 W12 K13 D14 R110 K114	S6-E10 WeakPolarHBondContact O-CG 3.48Å; S6-E10 PolarHBondContact O-N 3.44Å; E10-W12 VanDerWaalsContact C-N 3.27Å; E10-W12 PolarHBondContact O-N 3.41Å; E10-K13 PolarHBondContact O-N 3.34Å; E10-D14 PolarHBondContact O-N 3.43Å; E10-R110 IonicContact OE1-NH2 3.11Å; E10-R110 PolarHBondContact OE1-NH2 3.14Å; E10-R110 IonicContact OE2-CZ 2.67Å; E10-R110 IonicContact OE2-NH2 2.7Å; E10-R110 PolarHBondContact OE2-NH2 3.4Å; E10-K114 IonicContact OE1-NZ 3.24Å; E10-K114 WeakPolarHBondContact OE2-CE 3.44Å; E10-K114 IonicContact OE2-NZ 2.68Å; E10-K114 PolarHBondContact OE2-NZ 2.72Å
11	G	88.4	Confident	85	Confident	5 Å²	5	90.2 Å²	90.2	5%	0.052	44%	0.441	C	S	.	.	H	α-helix	trans	-68.6	-25.7	176.8	0	0	0	0	0	113.4	S7 A8 D14 P15	S7-G11 PolarHBondContact O-N 3.07Å; A8-G11 PolarHBondContact O-N 3.43Å; G11-D14 CarbonylContact O-C 3.47Å; G11-P15 WeakPolarHBondContact O-CA 3.18Å
12	W	87.7	Confident	86.6	Confident	196 Å²	196	87.7 Å²	87.7	74%	0.742	44%	0.436	S	S	*	.	H	α-helix	trans	-73.4	-41.5	170.9	177	75	0	0	0	111.8	A8 Y9 E10	A8-W12 WeakPolarHBondContact O-CB 3.45Å; A8-W12 PolarHBondContact O-N 3.01Å; Y9-W12 HydrophobicContact CD2-CE3 4.16Å; Y9-W12 HydrophobicContact CE2-CE3 4.15Å; Y9-W12 HydrophobicContact CE2-CZ3 4.14Å; Y9-W12 PolarHBondContact O-N 3.11Å; E10-W12 VanDerWaalsContact C-N 3.27Å; E10-W12 PolarHBondContact O-N 3.41Å
13	K	91	Very high	87.2	Confident	122 Å²	122	92.3 Å²	92.3	53%	0.53	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-42	174.5	-77.9	-173.5	166.5	175.8	0	113.3	Y9 E10	Y9-K13 HydrophobicContact CD1-CD 4.34Å; Y9-K13 HydrophobicContact CE1-CD 3.85Å; Y9-K13 VanDerWaalsContact CZ-NZ 3.34Å; Y9-K13 PolarHBondContact O-N 2.85Å; Y9-K13 WeakPolarHBondContact OH-CE 3.46Å; Y9-K13 PolarHBondContact OH-NZ 3.49Å; E10-K13 PolarHBondContact O-N 3.34Å
14	D	89.1	Confident	87.7	Confident	67 Å²	67	91.6 Å²	91.6	36%	0.358	45%	0.448	S	S	.	.			trans	-127.4	88	-176.1	-85.9	-36.8	0	0	0	109.8	E10 G11 S16 I17 K117	E10-D14 PolarHBondContact O-N 3.43Å; G11-D14 CarbonylContact O-C 3.47Å; D14-S16 PolarHBondContact O-N 3.06Å; D14-S16 VanDerWaalsContact O-N 3.07Å; D14-I17 HydrophobicContact CB-CB 4.49Å; D14-I17 HydrophobicContact CB-CD1 3.78Å; D14-I17 HydrophobicContact CB-CG1 4.28Å; D14-I17 PolarHBondContact O-N 2.93Å; D14-K117 IonicContact OD1-NZ 2.83Å; D14-K117 PolarHBondContact OD1-NZ 3.47Å; D14-K117 IonicContact OD2-NZ 2.85Å; D14-K117 PolarHBondContact OD2-NZ 3.14Å
15	P	90.2	Very high	88.2	Confident	97 Å²	97	89.3 Å²	89.3	63%	0.63	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-56.8	-27.5	179.3	-26.5	34.9	0	0	0	113.5	G11 I17 K18	G11-P15 WeakPolarHBondContact O-CA 3.18Å; P15-I17 PolarHBondContact O-N 3.24Å; P15-K18 PolarHBondContact O-N 3.02Å
16	S	87.7	Confident	88.6	Confident	70 Å²	70	87.4 Å²	87.4	49%	0.49	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-63.7	-19.3	179.1	71.7	0	0	0	0	114.4	D14 K117	D14-S16 PolarHBondContact O-N 3.06Å; D14-S16 VanDerWaalsContact O-N 3.07Å; S16-K117 PolarHBondContact OG-NZ 3.18Å
17	I	89.5	Confident	89	Confident	13 Å²	13	87.3 Å²	87.3	7%	0.067	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-95.9	-16.3	-177.9	-68.6	167.7	0	0	0	111.1	D14 P15 P19 R110 K114 K117	D14-I17 HydrophobicContact CB-CB 4.49Å; D14-I17 HydrophobicContact CB-CD1 3.78Å; D14-I17 HydrophobicContact CB-CG1 4.28Å; D14-I17 PolarHBondContact O-N 2.93Å; P15-I17 PolarHBondContact O-N 3.24Å; I17-P19 VanDerWaalsContact O-CD 3.32Å; I17-P19 WeakPolarHBondContact O-CD 3.39Å; I17-R110 HydrophobicContact CG2-CG 3.91Å; I17-K114 HydrophobicContact CB-CG 4.37Å; I17-K114 HydrophobicContact CD1-CG 4.07Å; I17-K114 HydrophobicContact CG1-CG 4.06Å; I17-K114 HydrophobicContact CG2-CD 4.13Å; I17-K114 HydrophobicContact CG2-CG 3.42Å; I17-K114 VanDerWaalsContact CG2-CG 3.42Å; I17-K117 HydrophobicContact CD1-CD 3.97Å; I17-K117 HydrophobicContact CG1-CD 4.05Å
18	K	90.4	Very high	89.4	Confident	118 Å²	118	90.8 Å²	90.8	51%	0.513	46%	0.462	S	S	.	.	S	Bend	trans	-82.7	117.5	-175.1	-177.2	-179	172.4	-175.6	0	109.9	P15	P15-K18 PolarHBondContact O-N 3.02Å
19	P	91.2	Very high	89.6	Confident	3 Å²	3	92 Å²	92	2%	0.019	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-61.6	141.4	171.9	-20.1	32.8	0	0	0	111.3	I17 Y106 E109 R110 L113	I17-P19 VanDerWaalsContact O-CD 3.32Å; I17-P19 WeakPolarHBondContact O-CD 3.39Å; P19-Y106 HydrophobicContact CB-CD2 3.84Å; P19-Y106 HydrophobicContact CB-CE2 3.68Å; P19-Y106 HydrophobicContact CG-CD2 4.03Å; P19-Y106 HydrophobicContact CG-CE2 3.84Å; P19-Y106 HydrophobicContact CG-CG 4.47Å; P19-Y106 WeakPolarHBondContact CG-O 3.46Å; P19-E109 HydrophobicContact CB-CB 4.18Å; P19-E109 HydrophobicContact CB-CG 3.9Å; P19-E109 WeakPolarHBondContact CB-OE2 3.49Å; P19-E109 HydrophobicContact CG-CB 4.02Å; P19-E109 HydrophobicContact CG-CG 4.04Å; P19-R110 HydrophobicContact CG-CB 3.71Å; P19-L113 HydrophobicContact CG-CD1 4.45Å
20	D	89.2	Confident	89.8	Confident	72 Å²	72	90.5 Å²	90.5	39%	0.385	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-77.7	137.9	172.7	-163.5	-31.7	0	0	0	109	V22 K23	D20-V22 PolarHBondContact OD1-N 3.19Å; D20-K23 HydrophobicContact CB-CB 4.04Å; D20-K23 HydrophobicContact CB-CD 4.26Å; D20-K23 HydrophobicContact CB-CG 4.25Å; D20-K23 WeakPolarHBondContact OD2-CD 3.16Å; D20-K23 WeakPolarHBondContact OD2-CE 3.45Å; D20-K23 WeakPolarHBondContact OD2-CG 3.32Å; D20-K23 IonicContact OD2-NZ 2.81Å
21	R	87.5	Confident	89.9	Confident	194 Å²	194	92.2 Å²	92.2	73%	0.732	47%	0.471	S	S	*	.	S	Bend	trans	-88	-17.8	-177.9	-66.9	-176.6	177.2	-171.2	-1.9	113	Y106	R21-Y106 HydrophobicContact CG-CE2 4.4Å
22	V	90.1	Very high	89.9	Confident	136 Å²	136	95.1 Å²	95.1	82%	0.824	50%	0.501	S	S	*	.	S	Bend	trans	-99.1	-34.3	-175.3	-177.7	0	0	0	0	110.6	D20	D20-V22 PolarHBondContact OD1-N 3.19Å
23	K	90.1	Very high	90.1	Very high	144 Å²	144	89.7 Å²	89.7	63%	0.626	48%	0.482	S	S	*	.	S	Bend	trans	-79.5	150.7	-179.7	-63.8	-179.6	-172.4	171.5	0	111.3	D20	D20-K23 HydrophobicContact CB-CB 4.04Å; D20-K23 HydrophobicContact CB-CD 4.26Å; D20-K23 HydrophobicContact CB-CG 4.25Å; D20-K23 WeakPolarHBondContact OD2-CD 3.16Å; D20-K23 WeakPolarHBondContact OD2-CE 3.45Å; D20-K23 WeakPolarHBondContact OD2-CG 3.32Å; D20-K23 IonicContact OD2-NZ 2.81Å
24	P	89.3	Confident	90.1	Very high	108 Å²	108	90.2 Å²	90.2	70%	0.701	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-62.3	158.4	170.8	28.6	-35.7	0	0	0	110.9	V26	P24-V26 PolarHBondContact O-N 3.4Å
25	P	88.9	Confident	90.1	Very high	81 Å²	81	98.9 Å²	98.9	53%	0.526	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-59.8	135.2	-179.4	25.1	-34.6	0	0	0	111.3	F27 E109	P25-F27 VanDerWaalsContact C-N 3.34Å; P25-F27 PolarHBondContact O-N 2.9Å; P25-E109 WeakPolarHBondContact CA-OE1 3.46Å
26	V	90.4	Very high	90	Very high	107 Å²	107	96.1 Å²	96.1	65%	0.648	52%	0.515	S	S	*	.	S	Bend	trans	-70.8	-30.8	-177.3	179.5	0	0	0	0	112.3	P24 E109	P24-V26 PolarHBondContact O-N 3.4Å; V26-E109 PolarHBondContact N-OE1 3.1Å
27	F	91.8	Very high	90.1	Very high	39 Å²	39	97.4 Å²	97.4	17%	0.171	51%	0.509	C	S	.	.	S	Bend	trans	-97.9	145	-175.8	-59.2	-84.2	0	0	0	111.9	P25 E109 L112 L113	P25-F27 VanDerWaalsContact C-N 3.34Å; P25-F27 PolarHBondContact O-N 2.9Å; F27-E109 HydrophobicContact CD2-CG 4.32Å; F27-E109 HydrophobicContact CE2-CG 4.47Å; F27-L112 HydrophobicContact CB-CD1 3.71Å; F27-L112 HydrophobicContact CD1-CB 4.16Å; F27-L112 HydrophobicContact CD1-CD1 4.18Å; F27-L112 HydrophobicContact CD2-CB 3.54Å; F27-L112 HydrophobicContact CD2-CD1 3.67Å; F27-L112 HydrophobicContact CD2-CG 4.25Å; F27-L112 HydrophobicContact CE1-CB 3.98Å; F27-L112 HydrophobicContact CE2-CB 3.33Å; F27-L112 HydrophobicContact CE2-CD1 4.37Å; F27-L112 HydrophobicContact CE2-CG 4.48Å; F27-L112 HydrophobicContact CG-CB 3.96Å; F27-L112 HydrophobicContact CG-CD1 3.57Å; F27-L112 HydrophobicContact CG-CG 4.36Å; F27-L112 HydrophobicContact CZ-CB 3.58Å; F27-L113 HydrophobicContact CE2-CD2 3.82Å; F27-L113 HydrophobicContact CE2-CG 3.95Å; F27-L113 HydrophobicContact CZ-CD2 4Å; F27-L113 HydrophobicContact CZ-CG 4.42Å
28	D	92.2	Very high	90.2	Very high	94 Å²	94	104.7 Å²	104.7	50%	0.503	54%	0.54	S	S	.	.			trans	-49.9	127.7	171.8	176.8	5.6	0	0	0	110.9	L30 Y31 R108	D28-L30 PolarHBondContact O-N 2.95Å; D28-L30 VanDerWaalsContact O-N 3.13Å; D28-L30 PolarHBondContact OD1-N 3.39Å; D28-Y31 VanDerWaalsContact O-CB 3.3Å; D28-Y31 WeakPolarHBondContact O-CB 3.46Å; D28-Y31 PolarHBondContact O-N 3.5Å; D28-R108 PolarHBondContact O-NH2 3.49Å
29	P	91.4	Very high	90.1	Very high	70 Å²	70	107.7 Å²	107.7	46%	0.455	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.6	-29	173.4	-29.2	35.9	0	0	0	114.6	F33	P29-F33 WeakPolarHBondContact O-CD2 3.39Å
30	L	92	Very high	90.1	Very high	96 Å²	96	112.1 Å²	112.1	50%	0.503	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-10.6	179.3	-64.6	174.5	0	0	0	113.8	D28 G32 F33 R37	D28-L30 PolarHBondContact O-N 2.95Å; D28-L30 VanDerWaalsContact O-N 3.13Å; D28-L30 PolarHBondContact OD1-N 3.39Å; L30-G32 PolarHBondContact O-N 3.29Å; L30-G32 VanDerWaalsContact O-N 3.16Å; L30-F33 PolarHBondContact O-N 3.06Å; L30-R37 HydrophobicContact CD2-CB 4.48Å
31	Y	90.6	Very high	90.3	Very high	104 Å²	104	115 Å²	115	41%	0.408	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	118.6	-179.6	-175.9	-98.6	0	0	0	111.8	D28 R108 L112	D28-Y31 VanDerWaalsContact O-CB 3.3Å; D28-Y31 WeakPolarHBondContact O-CB 3.46Å; D28-Y31 PolarHBondContact O-N 3.5Å; Y31-R108 PolarHBondContact O-NH2 2.97Å; Y31-L112 HydrophobicContact CD1-CD1 4.23Å; Y31-L112 HydrophobicContact CD1-CD2 3.71Å; Y31-L112 HydrophobicContact CE1-CD2 3.52Å
32	G	88.6	Confident	90.5	Very high	66 Å²	66	109.9 Å²	109.9	68%	0.68	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.6	6	-176.7	0	0	0	0	0	115.3	L30 P34	L30-G32 PolarHBondContact O-N 3.29Å; L30-G32 VanDerWaalsContact O-N 3.16Å; G32-P34 WeakPolarHBondContact O-CD 3.19Å
33	F	91.4	Very high	90.7	Very high	82 Å²	82	108 Å²	108	36%	0.36	56%	0.555	S	S	.	*			trans	-115	80.5	174.2	-65.9	-79.4	0	0	0	110.8	P29 L30 R35 G36	P29-F33 WeakPolarHBondContact O-CD2 3.39Å; L30-F33 PolarHBondContact O-N 3.06Å; F33-R35 PolarHBondContact O-N 2.63Å; F33-R35 VanDerWaalsContact O-N 3.17Å; F33-G36 PolarHBondContact O-N 2.63Å
34	P	89.6	Confident	90.8	Very high	133 Å²	133	101.6 Å²	101.6	86%	0.864	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.6	-173.4	25.7	-35.1	0	0	0	114	G32	G32-P34 WeakPolarHBondContact O-CD 3.19Å
35	R	89.7	Confident	91.1	Very high	249 Å²	249	99.7 Å²	99.7	94%	0.94	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	9	176.4	-63.6	-173.9	-68.3	-152.5	-1.1	113.3	F33	F33-R35 PolarHBondContact O-N 2.63Å; F33-R35 VanDerWaalsContact O-N 3.17Å
36	G	89.3	Confident	91.3	Very high	39 Å²	39	101.2 Å²	101.2	40%	0.402	52%	0.519	S	S	.	.			trans	75.8	172.7	-171	0	0	0	0	0	113.6	F33	F33-G36 PolarHBondContact O-N 2.63Å
37	R	89.6	Confident	91.5	Very high	98 Å²	98	103.2 Å²	103.2	37%	0.37	52%	0.521	S	S	.	.			trans	-110.6	134.9	176.9	-171.5	176.6	-179.8	-174.1	-1.1	109.3	L30 K39 E105	L30-R37 HydrophobicContact CD2-CB 4.48Å; R37-K39 PolarHBondContact O-N 3.2Å; R37-E105 IonicContact CZ-OE1 2.74Å; R37-E105 VanDerWaalsContact CZ-OE1 3.24Å; R37-E105 IonicContact NH1-OE1 3.16Å; R37-E105 PolarHBondContact NH1-OE1 3.24Å; R37-E105 IonicContact NH2-OE1 3.53Å; R37-E105 PolarHBondContact NH2-OE1 3.18Å
38	K	90.2	Very high	91.5	Very high	165 Å²	165	104.4 Å²	104.4	72%	0.717	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-61.7	125.2	171.8	-171.4	-178.6	176.8	-177.1	0	108.8	E41	K38-E41 WeakPolarHBondContact CE-OE1 3.42Å; K38-E41 IonicContact NZ-OE1 3.29Å
39	K	90	Very high	91.6	Very high	181 Å²	181	100.2 Å²	100.2	79%	0.787	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-67	144.3	173	-69.3	-177.8	179.7	178.9	0	109.3	R37	R37-K39 PolarHBondContact O-N 3.2Å
40	R	91.3	Very high	91.8	Very high	97 Å²	97	101 Å²	101	37%	0.366	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-75.9	129.2	173.5	-61.4	-177.3	70.2	169.6	6.3	108.3	Y61 D98 L101	R40-Y61 HydrophobicContact CB-CD1 3.74Å; R40-Y61 HydrophobicContact CB-CE1 3.35Å; R40-Y61 HydrophobicContact CB-CE2 4.5Å; R40-Y61 HydrophobicContact CG-CE1 4.45Å; R40-D98 IonicContact CZ-OD1 2.79Å; R40-D98 IonicContact NH1-OD1 3.85Å; R40-D98 PolarHBondContact NH1-OD1 2.9Å; R40-D98 IonicContact NH2-OD1 3.99Å; R40-D98 PolarHBondContact NH2-OD1 2.92Å; R40-L101 VanDerWaalsContact NH1-CD2 3.32Å
41	E	92.1	Very high	91.9	Very high	133 Å²	133	104.5 Å²	104.5	62%	0.621	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-93.8	127.7	179.4	-70.7	158.2	-152.9	0	0	108.3	K38	K38-E41 WeakPolarHBondContact CE-OE1 3.42Å; K38-E41 IonicContact NZ-OE1 3.29Å
42	M	92.7	Very high	92	Very high	86 Å²	86	103.7 Å²	103.7	42%	0.424	51%	0.508	S	S	.	.			trans	-83.5	115.9	168.8	-71	-65.1	-74.8	0	0	107.6	Y61	M42-Y61 HydrophobicContact CG-CD1 3.9Å; M42-Y61 HydrophobicContact CG-CE1 3.8Å; M42-Y61 VanDerWaalsContact SD-CA 3.54Å; M42-Y61 HydrophobicContact SD-CD1 3.09Å; M42-Y61 WeakPolarHBondContact SD-CD1 3.34Å; M42-Y61 HydrophobicContact SD-CD2 4.38Å; M42-Y61 HydrophobicContact SD-CE1 3.44Å; M42-Y61 WeakPolarHBondContact SD-CE1 3.45Å; M42-Y61 HydrophobicContact SD-CG 3.61Å
43	V	94.1	Very high	92.3	Very high	96 Å²	96	109.4 Å²	109.4	58%	0.582	51%	0.514	S	S	*	.			trans	-82.8	-38.2	-179.1	-178.5	0	0	0	0	111.5	H64	V43-H64 HydrophobicContact CB-CB 4.27Å; V43-H64 HydrophobicContact CG1-CB 4.31Å
44	A	91.8	Very high	92.4	Very high	9 Å²	9	105.8 Å²	105.8	7%	0.074	50%	0.498	C	S	.	.	S	Bend	trans	-76.5	135.5	178.7	0	0	0	0	0	110.7	M49 A63 H64 I67	A44-M49 HydrophobicContact CB-CG 4.15Å; A44-M49 HydrophobicContact CB-SD 4.47Å; A44-A63 HydrophobicContact CB-CB 4.19Å; A44-H64 HydrophobicContact CB-CB 4.19Å; A44-I67 HydrophobicContact CB-CD1 4.13Å
45	T	94.9	Very high	92.6	Very high	68 Å²	68	104.8 Å²	104.8	42%	0.417	48%	0.482	S	S	.	.			trans	-78.9	152.9	172.6	60	0	0	0	0	111	E47 E48 M49	T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 PolarHBondContact O-N 3.42Å; T45-E48 PolarHBondContact N-OE2 3.45Å; T45-E48 WeakPolarHBondContact O-CB 3.22Å; T45-E48 PolarHBondContact O-N 2.95Å; T45-E48 VanDerWaalsContact O-N 3.15Å; T45-E48 WeakPolarHBondContact OG1-CB 3.46Å; T45-E48 WeakPolarHBondContact OG1-CG 3.41Å; T45-E48 PolarHBondContact OG1-N 3.39Å; T45-E48 PolarHBondContact OG1-OE2 2.94Å; T45-M49 PolarHBondContact O-N 3.39Å; T45-M49 VanDerWaalsContact O-N 3.13Å
46	D	92.9	Very high	92.8	Very high	114 Å²	114	97.7 Å²	97.7	61%	0.61	47%	0.468	S	S	*	.	H	α-helix	trans	-60.5	-39	178	-67.1	-35.2	0	0	0	111.7	E48 M49 D50	D46-E48 VanDerWaalsContact C-N 3.33Å; D46-E48 PolarHBondContact O-N 3.22Å; D46-M49 HydrophobicContact CB-CE 4.47Å; D46-M49 PolarHBondContact O-N 3.48Å; D46-M49 WeakPolarHBondContact OD1-CE 3.43Å; D46-D50 PolarHBondContact O-N 2.92Å
47	E	94.3	Very high	92.9	Very high	149 Å²	149	105.5 Å²	105.5	70%	0.696	49%	0.485	S	S	*	.	H	α-helix	trans	-61.1	-38.8	175.7	-62	-176.8	-179.2	0	0	112.4	T45 R51	T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 PolarHBondContact O-N 3.42Å; E47-R51 WeakPolarHBondContact O-CB 3.43Å; E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.14Å; E47-R51 PolarHBondContact O-N 2.92Å
48	E	93	Very high	93.1	Very high	64 Å²	64	105.1 Å²	105.1	30%	0.299	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-44.6	174.2	-78.7	163.7	164.3	0	0	112.1	T45 D46 D50 R51 W52 I67	T45-E48 PolarHBondContact N-OE2 3.45Å; T45-E48 WeakPolarHBondContact O-CB 3.22Å; T45-E48 PolarHBondContact O-N 2.95Å; T45-E48 VanDerWaalsContact O-N 3.15Å; T45-E48 WeakPolarHBondContact OG1-CB 3.46Å; T45-E48 WeakPolarHBondContact OG1-CG 3.41Å; T45-E48 PolarHBondContact OG1-N 3.39Å; T45-E48 PolarHBondContact OG1-OE2 2.94Å; D46-E48 VanDerWaalsContact C-N 3.33Å; D46-E48 PolarHBondContact O-N 3.22Å; E48-D50 VanDerWaalsContact C-N 3.29Å; E48-D50 PolarHBondContact O-N 3.2Å; E48-R51 PolarHBondContact O-N 3.1Å; E48-R51 IonicContact OE1-NH2 3.91Å; E48-W52 PolarHBondContact O-N 3.03Å; E48-I67 HydrophobicContact CB-CD1 4.07Å
49	M	94.4	Very high	93.3	Very high	5 Å²	5	101.5 Å²	101.5	3%	0.025	47%	0.47	C	S	.	.	H	α-helix	trans	-64.2	-35.8	179.1	-65.4	-168.7	-73	0	0	112.1	A44 T45 D46 K53 L54 R59 A63 I67	A44-M49 HydrophobicContact CB-CG 4.15Å; A44-M49 HydrophobicContact CB-SD 4.47Å; T45-M49 PolarHBondContact O-N 3.39Å; T45-M49 VanDerWaalsContact O-N 3.13Å; D46-M49 HydrophobicContact CB-CE 4.47Å; D46-M49 PolarHBondContact O-N 3.48Å; D46-M49 WeakPolarHBondContact OD1-CE 3.43Å; M49-K53 PolarHBondContact O-N 2.96Å; M49-L54 HydrophobicContact CB-CD1 4.06Å; M49-L54 HydrophobicContact CG-CD1 3.93Å; M49-L54 PolarHBondContact O-N 3.08Å; M49-L54 VanDerWaalsContact O-N 3.12Å; M49-R59 HydrophobicContact SD-CB 3.89Å; M49-R59 HydrophobicContact SD-CG 3.99Å; M49-A63 HydrophobicContact CG-CB 4.28Å; M49-A63 HydrophobicContact SD-CB 3.77Å; M49-I67 HydrophobicContact CG-CD1 4.41Å
50	D	94.7	Very high	93.4	Very high	87 Å²	87	96.1 Å²	96.1	47%	0.465	45%	0.449	S	S	.	.	H	α-helix	trans	-73	-39.9	176.5	-75.3	-22.9	0	0	0	112.4	D46 E48 W52 K53 R59	D46-D50 PolarHBondContact O-N 2.92Å; E48-D50 VanDerWaalsContact C-N 3.29Å; E48-D50 PolarHBondContact O-N 3.2Å; D50-W52 VanDerWaalsContact C-N 3.28Å; D50-W52 PolarHBondContact O-N 2.67Å; D50-K53 PolarHBondContact O-N 3.24Å; D50-R59 IonicContact OD1-CZ 2.68Å; D50-R59 IonicContact OD1-NH1 3.04Å; D50-R59 PolarHBondContact OD1-NH1 3.33Å; D50-R59 IonicContact OD1-NH2 3.28Å; D50-R59 PolarHBondContact OD1-NH2 2.99Å
51	R	94.7	Very high	93.6	Very high	169 Å²	169	95.9 Å²	95.9	64%	0.638	45%	0.449	S	S	*	.	H	α-helix	trans	-57.5	-40.9	175.2	-78.6	-173.2	-61.9	-167.6	3.5	112.4	E47 E48 K53	E47-R51 WeakPolarHBondContact O-CB 3.43Å; E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.14Å; E47-R51 PolarHBondContact O-N 2.92Å; E48-R51 PolarHBondContact O-N 3.1Å; E48-R51 IonicContact OE1-NH2 3.91Å; R51-K53 VanDerWaalsContact C-N 3.29Å
52	W	93.8	Very high	93.7	Very high	88 Å²	88	90 Å²	90	33%	0.333	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.4	177.4	-72.5	99.3	0	0	0	114	E48 D50 L54 I67 L70 R71	E48-W52 PolarHBondContact O-N 3.03Å; D50-W52 VanDerWaalsContact C-N 3.28Å; D50-W52 PolarHBondContact O-N 2.67Å; W52-L54 VanDerWaalsContact C-N 3.28Å; W52-L54 HydrophobicContact CB-CD2 4.29Å; W52-L54 HydrophobicContact CB-CG 4.34Å; W52-L54 PolarHBondContact O-N 2.84Å; W52-I67 HydrophobicContact CG-CG1 4.29Å; W52-I67 HydrophobicContact CG-CG2 4.32Å; W52-L70 HydrophobicContact CB-CD1 4.46Å; W52-L70 HydrophobicContact CE3-CB 3.86Å; W52-L70 HydrophobicContact CE3-CD1 4.32Å; W52-L70 HydrophobicContact CZ3-CB 3.96Å; W52-R71 HydrophobicContact CH2-CB 3.99Å; W52-R71 HydrophobicContact CH2-CG 4.45Å; W52-R71 HydrophobicContact CZ2-CB 3.99Å; W52-R71 HydrophobicContact CZ2-CG 4.38Å
53	K	93.6	Very high	93.9	Very high	186 Å²	186	86 Å²	86	81%	0.809	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	42	178.7	-57.6	-179.6	-179.3	178.3	0	113	M49 D50 R51	M49-K53 PolarHBondContact O-N 2.96Å; D50-K53 PolarHBondContact O-N 3.24Å; R51-K53 VanDerWaalsContact C-N 3.29Å
54	L	94.1	Very high	93.9	Very high	5 Å²	5	83.4 Å²	83.4	3%	0.026	39%	0.385	C	S	.	.			trans	-62.6	136.7	179.3	-63.4	-173.4	0	0	0	111.4	M49 W52 E58 R59 A63 L66 I67 L70	M49-L54 HydrophobicContact CB-CD1 4.06Å; M49-L54 HydrophobicContact CG-CD1 3.93Å; M49-L54 PolarHBondContact O-N 3.08Å; M49-L54 VanDerWaalsContact O-N 3.12Å; W52-L54 VanDerWaalsContact C-N 3.28Å; W52-L54 HydrophobicContact CB-CD2 4.29Å; W52-L54 HydrophobicContact CB-CG 4.34Å; W52-L54 PolarHBondContact O-N 2.84Å; L54-E58 HydrophobicContact CB-CB 4.39Å; L54-R59 HydrophobicContact CB-CG 4.09Å; L54-R59 PolarHBondContact O-NE 3.08Å; L54-R59 PolarHBondContact O-NH2 3.2Å; L54-A63 HydrophobicContact CD1-CB 4.09Å; L54-L66 HydrophobicContact CD1-CD2 4.37Å; L54-L66 HydrophobicContact CD2-CD2 3.65Å; L54-L66 HydrophobicContact CD2-CG 4.08Å; L54-I67 HydrophobicContact CD1-CD1 4.4Å; L54-I67 HydrophobicContact CD1-CG1 4.17Å; L54-L70 HydrophobicContact CD2-CD1 3.64Å
55	H	94	Very high	94.1	Very high	113 Å²	113	86.1 Å²	86.1	52%	0.523	40%	0.395	S	S	.	.			trans	-65.5	149.3	175.6	-173.8	-94.2	0	0	0	110.1	R57 E58 R59	H55-R57 PolarHBondContact ND1-N 3.34Å; H55-R57 PolarHBondContact O-N 3.45Å; H55-E58 HydrophobicContact CB-CG 4.18Å; H55-E58 PolarHBondContact N-OE2 2.91Å; H55-E58 WeakPolarHBondContact O-CA 3.49Å; H55-E58 WeakPolarHBondContact O-CB 3.45Å; H55-E58 PolarHBondContact O-N 2.74Å; H55-R59 PolarHBondContact O-N 3.11Å
56	P	92.3	Very high	94.2	Very high	99 Å²	99	83.9 Å²	83.9	64%	0.643	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.1	-178.4	-30.6	36.4	0	0	0	115.4	E58	P56-E58 VanDerWaalsContact C-N 3.3Å
57	R	93.1	Very high	94.3	Very high	204 Å²	204	79.2 Å²	79.2	77%	0.77	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-22.2	175.1	-173.6	-179.8	-72.5	-171.9	-0.5	113.5	H55	H55-R57 PolarHBondContact ND1-N 3.34Å; H55-R57 PolarHBondContact O-N 3.45Å
58	E	92.9	Very high	94.3	Very high	90 Å²	90	76 Å²	76	42%	0.421	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.2	-176.4	-66.2	170.3	168.1	0	0	112.4	L54 H55 P56 D60 L66	L54-E58 HydrophobicContact CB-CB 4.39Å; H55-E58 HydrophobicContact CB-CG 4.18Å; H55-E58 PolarHBondContact N-OE2 2.91Å; H55-E58 WeakPolarHBondContact O-CA 3.49Å; H55-E58 WeakPolarHBondContact O-CB 3.45Å; H55-E58 PolarHBondContact O-N 2.74Å; P56-E58 VanDerWaalsContact C-N 3.3Å; E58-D60 PolarHBondContact O-N 3.31Å; E58-L66 HydrophobicContact CB-CD2 3.59Å; E58-L66 HydrophobicContact CG-CD2 3.96Å
59	R	93.8	Very high	94.4	Very high	89 Å²	89	73.9 Å²	73.9	34%	0.336	33%	0.333	S	S	.	.			trans	-78.9	41.6	178.2	-59.8	-179.2	-174	-145.3	-6.3	112.4	M49 D50 L54 H55	M49-R59 HydrophobicContact SD-CB 3.89Å; M49-R59 HydrophobicContact SD-CG 3.99Å; D50-R59 IonicContact OD1-CZ 2.68Å; D50-R59 IonicContact OD1-NH1 3.04Å; D50-R59 PolarHBondContact OD1-NH1 3.33Å; D50-R59 IonicContact OD1-NH2 3.28Å; D50-R59 PolarHBondContact OD1-NH2 2.99Å; L54-R59 HydrophobicContact CB-CG 4.09Å; L54-R59 PolarHBondContact O-NE 3.08Å; L54-R59 PolarHBondContact O-NH2 3.2Å; H55-R59 PolarHBondContact O-N 3.11Å
60	D	93.4	Very high	94.4	Very high	67 Å²	67	76.1 Å²	76.1	36%	0.358	34%	0.344	S	S	.	.	S	Bend	trans	-86.2	174.7	175.9	-76.3	-4.1	0	0	0	110.5	E58 C62 A63 R102	E58-D60 PolarHBondContact O-N 3.31Å; D60-C62 PolarHBondContact O-N 3.5Å; D60-A63 VanDerWaalsContact O-CB 3.25Å; D60-A63 WeakPolarHBondContact O-CB 3.43Å; D60-A63 PolarHBondContact O-N 3.08Å; D60-R102 IonicContact OD2-NH2 2.67Å; D60-R102 PolarHBondContact OD2-NH2 3.49Å
61	Y	94.5	Very high	94.4	Very high	93 Å²	93	78.7 Å²	78.7	37%	0.365	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-20.1	176.2	-68.1	-84.8	0	0	0	114.6	R40 M42 H64	R40-Y61 HydrophobicContact CB-CD1 3.74Å; R40-Y61 HydrophobicContact CB-CE1 3.35Å; R40-Y61 HydrophobicContact CB-CE2 4.5Å; R40-Y61 HydrophobicContact CG-CE1 4.45Å; M42-Y61 HydrophobicContact CG-CD1 3.9Å; M42-Y61 HydrophobicContact CG-CE1 3.8Å; M42-Y61 VanDerWaalsContact SD-CA 3.54Å; M42-Y61 HydrophobicContact SD-CD1 3.09Å; M42-Y61 WeakPolarHBondContact SD-CD1 3.34Å; M42-Y61 HydrophobicContact SD-CD2 4.38Å; M42-Y61 HydrophobicContact SD-CE1 3.44Å; M42-Y61 WeakPolarHBondContact SD-CE1 3.45Å; M42-Y61 HydrophobicContact SD-CG 3.61Å; Y61-H64 PolarHBondContact O-CE1 3.45Å; Y61-H64 PolarHBondContact O-ND1 3.47Å; Y61-H64 VanDerWaalsContact O-ND1 3.1Å
62	C	94.9	Very high	94.4	Very high	9 Å²	9	71 Å²	71	6%	0.061	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.5	177.7	-63.1	0	0	0	0	114.3	D60 H64 F65 L66 C94	D60-C62 PolarHBondContact O-N 3.5Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 VanDerWaalsContact O-N 3.16Å; C62-F65 PolarHBondContact O-N 3.12Å; C62-F65 VanDerWaalsContact O-N 3.13Å; C62-L66 PolarHBondContact O-N 3.45Å; C62-C94 VanDerWaalsContact CA-SG 3.54Å; C62-C94 HydrophobicContact CB-CB 3.81Å; C62-C94 WeakPolarHBondContact CB-SG 3.46Å; C62-C94 WeakPolarHBondContact SG-CB 3.44Å; C62-C94 PolarHBondContact SG-O 3.21Å; C62-C94 VanDerWaalsContact SG-O 3.34Å; C62-C94 CovalentContact SG-SG 2.04Å; C62-C94 PolarHBondContact SG-SG 2.95Å
63	A	95.9	Very high	94.4	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-30.6	-175.2	0	0	0	0	0	114.1	A44 M49 L54 D60 F65 L66 I67	A44-A63 HydrophobicContact CB-CB 4.19Å; M49-A63 HydrophobicContact CG-CB 4.28Å; M49-A63 HydrophobicContact SD-CB 3.77Å; L54-A63 HydrophobicContact CD1-CB 4.09Å; D60-A63 VanDerWaalsContact O-CB 3.25Å; D60-A63 WeakPolarHBondContact O-CB 3.43Å; D60-A63 PolarHBondContact O-N 3.08Å; A63-F65 PolarHBondContact O-N 3.42Å; A63-L66 WeakPolarHBondContact O-CB 3.49Å; A63-L66 PolarHBondContact O-N 2.92Å; A63-L66 VanDerWaalsContact O-N 3.1Å; A63-I67 WeakPolarHBondContact O-CG1 3.31Å; A63-I67 PolarHBondContact O-N 3.44Å
64	H	95	Very high	94.3	Very high	43 Å²	43	67.2 Å²	67.2	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-42.9	176.9	55.9	-77.9	0	0	0	112.4	V43 A44 Y61 C62 L66 I67 D68	V43-H64 HydrophobicContact CB-CB 4.27Å; V43-H64 HydrophobicContact CG1-CB 4.31Å; A44-H64 HydrophobicContact CB-CB 4.19Å; Y61-H64 PolarHBondContact O-CE1 3.45Å; Y61-H64 PolarHBondContact O-ND1 3.47Å; Y61-H64 VanDerWaalsContact O-ND1 3.1Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 VanDerWaalsContact O-N 3.16Å; H64-L66 VanDerWaalsContact C-N 3.26Å; H64-L66 PolarHBondContact O-N 3.12Å; H64-I67 PolarHBondContact O-N 3.48Å; H64-D68 PolarHBondContact O-N 2.68Å
65	F	96.5	Very high	94.3	Very high	65 Å²	65	72.9 Å²	72.9	29%	0.285	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-30.2	174.1	-68.3	-67.8	0	0	0	112.7	C62 A63 H69 A90 L91 C94	C62-F65 PolarHBondContact O-N 3.12Å; C62-F65 VanDerWaalsContact O-N 3.13Å; A63-F65 PolarHBondContact O-N 3.42Å; F65-H69 WeakPolarHBondContact O-CB 3.45Å; F65-H69 PolarHBondContact O-N 3.28Å; F65-A90 HydrophobicContact CD1-CB 3.86Å; F65-A90 HydrophobicContact CE1-CB 4.11Å; F65-L91 HydrophobicContact CB-CB 4.17Å; F65-L91 HydrophobicContact CB-CD1 4Å; F65-C94 HydrophobicContact CD2-CB 3.47Å; F65-C94 VanDerWaalsContact CD2-CB 3.47Å; F65-C94 HydrophobicContact CE2-CB 3.64Å; F65-C94 HydrophobicContact CG-CB 4.41Å
66	L	95.7	Very high	94.1	Very high	21 Å²	21	73.2 Å²	73.2	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-70	-42.1	176.5	-175.7	60.4	0	0	0	111.1	L54 E58 C62 A63 H64 D68 H69 L70 L91	L54-L66 HydrophobicContact CD1-CD2 4.37Å; L54-L66 HydrophobicContact CD2-CD2 3.65Å; L54-L66 HydrophobicContact CD2-CG 4.08Å; E58-L66 HydrophobicContact CB-CD2 3.59Å; E58-L66 HydrophobicContact CG-CD2 3.96Å; C62-L66 PolarHBondContact O-N 3.45Å; A63-L66 WeakPolarHBondContact O-CB 3.49Å; A63-L66 PolarHBondContact O-N 2.92Å; A63-L66 VanDerWaalsContact O-N 3.1Å; H64-L66 VanDerWaalsContact C-N 3.26Å; H64-L66 PolarHBondContact O-N 3.12Å; L66-D68 VanDerWaalsContact C-N 3.33Å; L66-D68 PolarHBondContact O-N 2.87Å; L66-H69 PolarHBondContact O-N 2.97Å; L66-L70 HydrophobicContact CD1-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CG 3.35Å; L66-L70 PolarHBondContact O-N 2.96Å; L66-L91 HydrophobicContact CB-CD1 3.64Å; L66-L91 HydrophobicContact CD1-CD1 4.13Å; L66-L91 HydrophobicContact CD1-CD2 4.08Å; L66-L91 HydrophobicContact CG-CD1 4.46Å
67	I	95.7	Very high	93.8	Very high	17 Å²	17	78.6 Å²	78.6	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-45.3	174.4	-69.1	163	0	0	0	110.4	A44 E48 M49 W52 L54 A63 H64 H69 L70 R71	A44-I67 HydrophobicContact CB-CD1 4.13Å; E48-I67 HydrophobicContact CB-CD1 4.07Å; M49-I67 HydrophobicContact CG-CD1 4.41Å; W52-I67 HydrophobicContact CG-CG1 4.29Å; W52-I67 HydrophobicContact CG-CG2 4.32Å; L54-I67 HydrophobicContact CD1-CD1 4.4Å; L54-I67 HydrophobicContact CD1-CG1 4.17Å; A63-I67 WeakPolarHBondContact O-CG1 3.31Å; A63-I67 PolarHBondContact O-N 3.44Å; H64-I67 PolarHBondContact O-N 3.48Å; I67-H69 VanDerWaalsContact C-N 3.32Å; I67-H69 PolarHBondContact O-N 2.95Å; I67-L70 PolarHBondContact O-N 3.49Å; I67-R71 VanDerWaalsContact O-CB 3.31Å; I67-R71 WeakPolarHBondContact O-CB 3.3Å; I67-R71 PolarHBondContact O-N 3.45Å
68	D	94.9	Very high	93.5	Very high	81 Å²	81	73.6 Å²	73.6	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-41.2	176.5	-70.3	-25.5	0	0	0	112.2	H64 L66 R71 C72	H64-D68 PolarHBondContact O-N 2.68Å; L66-D68 VanDerWaalsContact C-N 3.33Å; L66-D68 PolarHBondContact O-N 2.87Å; D68-R71 PolarHBondContact O-N 3.43Å; D68-C72 PolarHBondContact O-N 3.04Å
69	H	94.8	Very high	93.3	Very high	19 Å²	19	77.2 Å²	77.2	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-45.1	176.6	-173.9	53.4	0	0	0	112.6	F65 L66 I67 R71 C72 M73 E87	F65-H69 WeakPolarHBondContact O-CB 3.45Å; F65-H69 PolarHBondContact O-N 3.28Å; L66-H69 PolarHBondContact O-N 2.97Å; I67-H69 VanDerWaalsContact C-N 3.32Å; I67-H69 PolarHBondContact O-N 2.95Å; H69-R71 VanDerWaalsContact C-N 3.34Å; H69-C72 PolarHBondContact O-N 3.42Å; H69-M73 WeakPolarHBondContact NE2-CE 3.44Å; H69-M73 WeakPolarHBondContact O-CG 3.3Å; H69-M73 PolarHBondContact O-N 3.05Å; H69-E87 HydrophobicContact CB-CB 4.17Å
70	L	94	Very high	93.1	Very high	52 Å²	52	73.6 Å²	73.6	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.7	-70.7	174.8	0	0	0	111.6	W52 L54 L66 I67 M73 D74	W52-L70 HydrophobicContact CB-CD1 4.46Å; W52-L70 HydrophobicContact CE3-CB 3.86Å; W52-L70 HydrophobicContact CE3-CD1 4.32Å; W52-L70 HydrophobicContact CZ3-CB 3.96Å; L54-L70 HydrophobicContact CD2-CD1 3.64Å; L66-L70 HydrophobicContact CD1-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CG 3.35Å; L66-L70 PolarHBondContact O-N 2.96Å; I67-L70 PolarHBondContact O-N 3.49Å; L70-M73 WeakPolarHBondContact O-CB 3.3Å; L70-M73 PolarHBondContact O-N 2.98Å; L70-D74 PolarHBondContact O-N 3.13Å
71	R	94.2	Very high	92.6	Very high	141 Å²	141	77.7 Å²	77.7	53%	0.532	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.8	-175.6	177	-179.2	177.2	2.1	111.7	W52 I67 D68 H69 M73 D74 H75	W52-R71 HydrophobicContact CH2-CB 3.99Å; W52-R71 HydrophobicContact CH2-CG 4.45Å; W52-R71 HydrophobicContact CZ2-CB 3.99Å; W52-R71 HydrophobicContact CZ2-CG 4.38Å; I67-R71 VanDerWaalsContact O-CB 3.31Å; I67-R71 WeakPolarHBondContact O-CB 3.3Å; I67-R71 PolarHBondContact O-N 3.45Å; D68-R71 PolarHBondContact O-N 3.43Å; H69-R71 VanDerWaalsContact C-N 3.34Å; R71-M73 VanDerWaalsContact C-N 3.33Å; R71-M73 PolarHBondContact O-N 2.91Å; R71-D74 PolarHBondContact O-N 3.02Å; R71-H75 PolarHBondContact O-CD2 2.93Å; R71-H75 PolarHBondContact O-N 3.22Å; R71-H75 VanDerWaalsContact O-N 3.13Å
72	C	95	Very high	92.3	Very high	7 Å²	7	80.9 Å²	80.9	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-42.6	174.4	-174.5	0	0	0	0	111.5	D68 H69 D74 H75 Y76 C84 E87	D68-C72 PolarHBondContact O-N 3.04Å; H69-C72 PolarHBondContact O-N 3.42Å; C72-D74 VanDerWaalsContact C-N 3.3Å; C72-D74 PolarHBondContact O-N 2.88Å; C72-H75 PolarHBondContact O-N 3.25Å; C72-Y76 WeakPolarHBondContact O-CD2 3.48Å; C72-Y76 PolarHBondContact O-N 3.4Å; C72-Y76 VanDerWaalsContact SG-CD2 3.55Å; C72-C84 HydrophobicContact CB-CB 3.83Å; C72-C84 WeakPolarHBondContact CB-SG 3.38Å; C72-C84 PolarHBondContact O-SG 3.37Å; C72-C84 WeakPolarHBondContact SG-CA 3.36Å; C72-C84 WeakPolarHBondContact SG-CB 3.47Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.12Å; C72-E87 HydrophobicContact CB-CG 4.03Å; C72-E87 VanDerWaalsContact SG-CD 3.59Å
73	M	93.4	Very high	92.1	Very high	79 Å²	79	84.2 Å²	84.2	39%	0.389	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-38.2	178.2	-77.3	-170	162.1	0	0	113.3	H69 L70 R71 R77 A80	H69-M73 WeakPolarHBondContact NE2-CE 3.44Å; H69-M73 WeakPolarHBondContact O-CG 3.3Å; H69-M73 PolarHBondContact O-N 3.05Å; L70-M73 WeakPolarHBondContact O-CB 3.3Å; L70-M73 PolarHBondContact O-N 2.98Å; R71-M73 VanDerWaalsContact C-N 3.33Å; R71-M73 PolarHBondContact O-N 2.91Å; M73-R77 PolarHBondContact O-N 3.4Å; M73-A80 HydrophobicContact CB-CB 4.37Å; M73-A80 HydrophobicContact CG-CB 4.26Å
74	D	93	Very high	92.1	Very high	116 Å²	116	84.3 Å²	84.3	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-44.5	176.4	-166.1	53.6	0	0	0	111.5	L70 R71 C72	L70-D74 PolarHBondContact O-N 3.13Å; R71-D74 PolarHBondContact O-N 3.02Å; C72-D74 VanDerWaalsContact C-N 3.3Å; C72-D74 PolarHBondContact O-N 2.88Å
75	H	93.5	Very high	92	Very high	124 Å²	124	87.2 Å²	87.2	57%	0.574	39%	0.39	S	S	*	.	H	α-helix	trans	-69.2	-36.6	-178.6	-76.7	-60.6	0	0	0	114.8	R71 C72	R71-H75 PolarHBondContact O-CD2 2.93Å; R71-H75 PolarHBondContact O-N 3.22Å; R71-H75 VanDerWaalsContact O-N 3.13Å; C72-H75 PolarHBondContact O-N 3.25Å
76	Y	90.5	Very high	91.9	Very high	121 Å²	121	91.6 Å²	91.6	48%	0.475	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.7	-172	-68.2	-74.9	0	0	0	114.4	C72 W79 A80 N83	C72-Y76 WeakPolarHBondContact O-CD2 3.48Å; C72-Y76 PolarHBondContact O-N 3.4Å; C72-Y76 VanDerWaalsContact SG-CD2 3.55Å; Y76-W79 CarbonylContact O-C 3.37Å; Y76-W79 WeakPolarHBondContact O-CA 3.42Å; Y76-W79 PolarHBondContact O-N 3.37Å; Y76-A80 PolarHBondContact O-N 3Å; Y76-N83 HydrophobicContact CD1-CB 4.32Å; Y76-N83 HydrophobicContact CD2-CB 4.47Å; Y76-N83 HydrophobicContact CG-CB 4.1Å
77	R	86.2	Confident	91.9	Very high	211 Å²	211	93.4 Å²	93.4	80%	0.796	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	132.7	176.3	-166.9	174.8	-174.4	122.7	1	110.3	M73	M73-R77 PolarHBondContact O-N 3.4Å
78	P	86.1	Confident	91.8	Very high	99 Å²	99	96.8 Å²	96.8	64%	0.643	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.4	-1.9	7.6	36.4	-35.3	0	0	0	115.7	A80	P78-A80 VanDerWaalsContact C-N 3.32Å; P78-A80 PolarHBondContact O-N 2.95Å
79	W	88.8	Confident	91.9	Very high	167 Å²	167	98.6 Å²	98.6	63%	0.633	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	11.6	-175	-54.8	-53.3	0	0	0	114.6	Y76 Y81 W82 N83	Y76-W79 CarbonylContact O-C 3.37Å; Y76-W79 WeakPolarHBondContact O-CA 3.42Å; Y76-W79 PolarHBondContact O-N 3.37Å; W79-Y81 PolarHBondContact O-N 3.38Å; W79-Y81 VanDerWaalsContact O-N 3.07Å; W79-W82 HydrophobicContact CB-CE3 4.3Å; W79-W82 AromaticContact CD1-CZ3 3.97Å; W79-W82 PolarHBondContact O-N 3.43Å; W79-W82 VanDerWaalsContact O-N 3.1Å; W79-N83 PolarHBondContact O-N 3.42Å
80	A	88.7	Confident	92	Very high	12 Å²	12	99.1 Å²	99.1	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-51.8	-33.6	-178	0	0	0	0	0	114.1	M73 Y76 P78 W82 N83 C84	M73-A80 HydrophobicContact CB-CB 4.37Å; M73-A80 HydrophobicContact CG-CB 4.26Å; Y76-A80 PolarHBondContact O-N 3Å; P78-A80 VanDerWaalsContact C-N 3.32Å; P78-A80 PolarHBondContact O-N 2.95Å; A80-W82 PolarHBondContact O-N 2.89Å; A80-N83 PolarHBondContact O-N 3.14Å; A80-C84 VanDerWaalsContact O-CB 3.25Å; A80-C84 WeakPolarHBondContact O-CB 3.34Å; A80-C84 PolarHBondContact O-N 3Å
81	Y	84.2	Confident	92.1	Very high	154 Å²	154	97.5 Å²	97.5	60%	0.604	44%	0.435	S	S	*	.	H	α-helix	trans	-57.9	-35.6	-179.8	-176.6	-95.7	0	0	0	113.3	W79	W79-Y81 PolarHBondContact O-N 3.38Å; W79-Y81 VanDerWaalsContact O-N 3.07Å
82	W	88.6	Confident	92.2	Very high	159 Å²	159	94.8 Å²	94.8	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-89.9	-36.1	180	-63.6	-69.5	0	0	0	112.9	W79 A80 K85	W79-W82 HydrophobicContact CB-CE3 4.3Å; W79-W82 AromaticContact CD1-CZ3 3.97Å; W79-W82 PolarHBondContact O-N 3.43Å; W79-W82 VanDerWaalsContact O-N 3.1Å; A80-W82 PolarHBondContact O-N 2.89Å; W82-K85 WeakPolarHBondContact O-CG 3.46Å
83	N	90.7	Very high	92.3	Very high	80 Å²	80	100 Å²	100	43%	0.428	45%	0.451	S	S	.	.	H	α-helix	trans	-79.7	-35.7	-174.6	-65.4	-10.4	0	0	0	112.4	Y76 W79 A80 K85	Y76-N83 HydrophobicContact CD1-CB 4.32Å; Y76-N83 HydrophobicContact CD2-CB 4.47Å; Y76-N83 HydrophobicContact CG-CB 4.1Å; W79-N83 PolarHBondContact O-N 3.42Å; A80-N83 PolarHBondContact O-N 3.14Å; N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 2.68Å
84	C	93.9	Very high	92.4	Very high	2 Å²	2	97.1 Å²	97.1	1%	0.014	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	27.3	-172.8	-57.8	0	0	0	0	114.4	C72 A80 H86 E87 R88	C72-C84 HydrophobicContact CB-CB 3.83Å; C72-C84 WeakPolarHBondContact CB-SG 3.38Å; C72-C84 PolarHBondContact O-SG 3.37Å; C72-C84 WeakPolarHBondContact SG-CA 3.36Å; C72-C84 WeakPolarHBondContact SG-CB 3.47Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.12Å; A80-C84 VanDerWaalsContact O-CB 3.25Å; A80-C84 WeakPolarHBondContact O-CB 3.34Å; A80-C84 PolarHBondContact O-N 3Å; C84-H86 VanDerWaalsContact C-N 3.33Å; C84-E87 WeakPolarHBondContact CA-OE2 3.37Å; C84-R88 PolarHBondContact O-N 3.26Å
85	K	93.7	Very high	92.6	Very high	105 Å²	105	96.5 Å²	96.5	46%	0.457	43%	0.431	S	S	.	.	H	α-helix	trans	-68.9	-32.9	-178.5	-74.1	177.3	177.9	175.5	0	112.3	W82 N83 H89	W82-K85 WeakPolarHBondContact O-CG 3.46Å; N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 2.68Å; K85-H89 WeakPolarHBondContact O-CB 3.35Å; K85-H89 PolarHBondContact O-N 3.31Å
86	H	95	Very high	92.8	Very high	156 Å²	156	97.7 Å²	97.7	72%	0.722	43%	0.431	S	S	*	.	H	α-helix	trans	-68.1	-45.8	-178.1	-69.2	-70.6	0	0	0	111.2	C84 H89 A90	C84-H86 VanDerWaalsContact C-N 3.33Å; H86-H89 PolarHBondContact O-N 3Å; H86-A90 WeakPolarHBondContact O-CB 3.35Å; H86-A90 PolarHBondContact O-N 3.29Å
87	E	95.2	Very high	93	Very high	59 Å²	59	96.8 Å²	96.8	28%	0.276	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-41.7	176.9	-60.9	80	178.8	0	0	110.5	H69 C72 C84 H89 A90 L91	H69-E87 HydrophobicContact CB-CB 4.17Å; C72-E87 HydrophobicContact CB-CG 4.03Å; C72-E87 VanDerWaalsContact SG-CD 3.59Å; C84-E87 WeakPolarHBondContact CA-OE2 3.37Å; E87-H89 PolarHBondContact O-N 3.44Å; E87-A90 PolarHBondContact O-N 2.85Å; E87-L91 PolarHBondContact O-N 3.16Å
88	R	94.1	Very high	93.5	Very high	88 Å²	88	87.2 Å²	87.2	33%	0.332	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-46.5	175.5	-160.6	-175.3	78.5	-158.9	-2.6	111.8	C84 A90 L91 E92	C84-R88 PolarHBondContact O-N 3.26Å; R88-A90 VanDerWaalsContact C-N 3.31Å; R88-A90 PolarHBondContact O-N 3.02Å; R88-L91 WeakPolarHBondContact O-CB 3.37Å; R88-L91 PolarHBondContact O-N 3Å; R88-E92 IonicContact CZ-OE1 2.68Å; R88-E92 IonicContact NE-OE1 3.76Å; R88-E92 PolarHBondContact NE-OE1 3.42Å; R88-E92 IonicContact NH2-OE1 2.96Å; R88-E92 WeakPolarHBondContact O-CG 3.48Å; R88-E92 PolarHBondContact O-N 2.8Å
89	H	96.6	Very high	93.9	Very high	120 Å²	120	86.2 Å²	86.2	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-66.8	-33.6	179.1	-175.9	-109.5	0	0	0	112.1	K85 H86 E87 E92 K93	K85-H89 WeakPolarHBondContact O-CB 3.35Å; K85-H89 PolarHBondContact O-N 3.31Å; H86-H89 PolarHBondContact O-N 3Å; E87-H89 PolarHBondContact O-N 3.44Å; H89-E92 PolarHBondContact O-N 2.83Å; H89-K93 VanDerWaalsContact O-CB 3.27Å; H89-K93 WeakPolarHBondContact O-CB 3.43Å; H89-K93 PolarHBondContact O-N 2.71Å
90	A	96.9	Very high	94.2	Very high	30 Å²	30	81 Å²	81	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-44.4	173.3	0	0	0	0	0	111.9	F65 H86 E87 R88 K93 C94	F65-A90 HydrophobicContact CD1-CB 3.86Å; F65-A90 HydrophobicContact CE1-CB 4.11Å; H86-A90 WeakPolarHBondContact O-CB 3.35Å; H86-A90 PolarHBondContact O-N 3.29Å; E87-A90 PolarHBondContact O-N 2.85Å; R88-A90 VanDerWaalsContact C-N 3.31Å; R88-A90 PolarHBondContact O-N 3.02Å; A90-K93 PolarHBondContact O-N 3.39Å; A90-C94 PolarHBondContact O-N 2.98Å
91	L	95.7	Very high	94.4	Very high	17 Å²	17	82.7 Å²	82.7	9%	0.089	37%	0.374	C	S	.	.	H	α-helix	trans	-57.9	-53.4	172.5	177.9	84.3	0	0	0	111.5	F65 L66 E87 R88 K93 C94 Q95	F65-L91 HydrophobicContact CB-CB 4.17Å; F65-L91 HydrophobicContact CB-CD1 4Å; L66-L91 HydrophobicContact CB-CD1 3.64Å; L66-L91 HydrophobicContact CD1-CD1 4.13Å; L66-L91 HydrophobicContact CD1-CD2 4.08Å; L66-L91 HydrophobicContact CG-CD1 4.46Å; E87-L91 PolarHBondContact O-N 3.16Å; R88-L91 WeakPolarHBondContact O-CB 3.37Å; R88-L91 PolarHBondContact O-N 3Å; L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 2.92Å; L91-C94 PolarHBondContact O-N 2.93Å; L91-C94 VanDerWaalsContact O-N 3.13Å; L91-Q95 WeakPolarHBondContact O-CG 3.27Å; L91-Q95 PolarHBondContact O-N 3.4Å
92	E	96.6	Very high	94.8	Very high	84 Å²	84	81.7 Å²	81.7	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-57.5	-41.9	-179.4	-73.5	170.3	-162.4	0	0	111.2	R88 H89 Q95 W96	R88-E92 IonicContact CZ-OE1 2.68Å; R88-E92 IonicContact NE-OE1 3.76Å; R88-E92 PolarHBondContact NE-OE1 3.42Å; R88-E92 IonicContact NH2-OE1 2.96Å; R88-E92 WeakPolarHBondContact O-CG 3.48Å; R88-E92 PolarHBondContact O-N 2.8Å; H89-E92 PolarHBondContact O-N 2.83Å; E92-Q95 PolarHBondContact O-N 2.88Å; E92-W96 WeakPolarHBondContact O-CB 3.18Å; E92-W96 PolarHBondContact O-N 3.39Å
93	K	97.3	Very high	95	Very high	118 Å²	118	78.7 Å²	78.7	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-45.6	175.9	-176.4	-176.6	174.6	-171.1	0	111.9	H89 A90 L91 W96 E97	H89-K93 VanDerWaalsContact O-CB 3.27Å; H89-K93 WeakPolarHBondContact O-CB 3.43Å; H89-K93 PolarHBondContact O-N 2.71Å; A90-K93 PolarHBondContact O-N 3.39Å; L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 2.92Å; K93-W96 WeakPolarHBondContact O-CB 3.42Å; K93-W96 PolarHBondContact O-N 3.31Å; K93-E97 WeakPolarHBondContact CE-OE1 3.09Å; K93-E97 WeakPolarHBondContact O-CG 3.25Å; K93-E97 PolarHBondContact O-N 3.34Å
94	C	96.4	Very high	95.1	Very high	18 Å²	18	81.5 Å²	81.5	12%	0.122	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-44.9	177.5	-173.5	0	0	0	0	111.6	C62 F65 A90 L91 W96 E97 D98	C62-C94 VanDerWaalsContact CA-SG 3.54Å; C62-C94 HydrophobicContact CB-CB 3.81Å; C62-C94 WeakPolarHBondContact CB-SG 3.46Å; C62-C94 WeakPolarHBondContact SG-CB 3.44Å; C62-C94 PolarHBondContact SG-O 3.21Å; C62-C94 VanDerWaalsContact SG-O 3.34Å; C62-C94 CovalentContact SG-SG 2.04Å; C62-C94 PolarHBondContact SG-SG 2.95Å; F65-C94 HydrophobicContact CD2-CB 3.47Å; F65-C94 VanDerWaalsContact CD2-CB 3.47Å; F65-C94 HydrophobicContact CE2-CB 3.64Å; F65-C94 HydrophobicContact CG-CB 4.41Å; A90-C94 PolarHBondContact O-N 2.98Å; L91-C94 PolarHBondContact O-N 2.93Å; L91-C94 VanDerWaalsContact O-N 3.13Å; C94-W96 VanDerWaalsContact C-N 3.29Å; C94-W96 PolarHBondContact O-N 2.97Å; C94-E97 PolarHBondContact O-N 2.68Å; C94-D98 PolarHBondContact O-N 2.67Å
95	Q	95.8	Very high	95.1	Very high	103 Å²	103	85.1 Å²	85.1	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-38.9	177.3	-70.1	179.2	-7.6	0	0	111.9	L91 E92 D98 M99	L91-Q95 WeakPolarHBondContact O-CG 3.27Å; L91-Q95 PolarHBondContact O-N 3.4Å; E92-Q95 PolarHBondContact O-N 2.88Å; Q95-D98 PolarHBondContact O-N 2.7Å; Q95-M99 PolarHBondContact O-N 2.94Å
96	W	97.1	Very high	95	Very high	148 Å²	148	83.4 Å²	83.4	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-46.7	173.6	175.8	-99.1	0	0	0	112	E92 K93 C94 D98 M99 L100	E92-W96 WeakPolarHBondContact O-CB 3.18Å; E92-W96 PolarHBondContact O-N 3.39Å; K93-W96 WeakPolarHBondContact O-CB 3.42Å; K93-W96 PolarHBondContact O-N 3.31Å; C94-W96 VanDerWaalsContact C-N 3.29Å; C94-W96 PolarHBondContact O-N 2.97Å; W96-D98 VanDerWaalsContact C-N 3.31Å; W96-D98 PolarHBondContact O-N 3.01Å; W96-M99 HydrophobicContact CD2-CE 4.07Å; W96-M99 HydrophobicContact CE3-CE 3.33Å; W96-M99 HydrophobicContact CH2-CE 3.74Å; W96-M99 HydrophobicContact CZ2-CE 4.41Å; W96-M99 HydrophobicContact CZ3-CE 3.16Å; W96-M99 WeakPolarHBondContact O-CB 3.33Å; W96-M99 PolarHBondContact O-N 2.99Å; W96-L100 HydrophobicContact CZ2-CD2 4.07Å; W96-L100 WeakPolarHBondContact O-CG 3.02Å; W96-L100 PolarHBondContact O-N 3.31Å
97	E	96.4	Very high	94.8	Very high	103 Å²	103	78.8 Å²	78.8	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-37.5	176.7	-72.5	176.5	-172.9	0	0	112.3	K93 C94 L100 L101	K93-E97 WeakPolarHBondContact CE-OE1 3.09Å; K93-E97 WeakPolarHBondContact O-CG 3.25Å; K93-E97 PolarHBondContact O-N 3.34Å; C94-E97 PolarHBondContact O-N 2.68Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.12Å; E97-L101 PolarHBondContact O-N 3.07Å
98	D	95.5	Very high	94.7	Very high	9 Å²	9	78.7 Å²	78.7	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-43.5	173.5	-171.7	56.8	0	0	0	112.1	R40 C94 Q95 W96 L100 L101 R102	R40-D98 IonicContact CZ-OD1 2.79Å; R40-D98 IonicContact NH1-OD1 3.85Å; R40-D98 PolarHBondContact NH1-OD1 2.9Å; R40-D98 IonicContact NH2-OD1 3.99Å; R40-D98 PolarHBondContact NH2-OD1 2.92Å; C94-D98 PolarHBondContact O-N 2.67Å; Q95-D98 PolarHBondContact O-N 2.7Å; W96-D98 VanDerWaalsContact C-N 3.31Å; W96-D98 PolarHBondContact O-N 3.01Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 3.27Å; D98-L101 WeakPolarHBondContact O-CB 3.4Å; D98-L101 PolarHBondContact O-N 2.79Å; D98-L101 VanDerWaalsContact O-N 3.14Å; D98-R102 WeakPolarHBondContact O-CG 3.1Å; D98-R102 PolarHBondContact O-N 3.34Å; D98-R102 IonicContact OD2-CZ 3.73Å; D98-R102 IonicContact OD2-NE 3.34Å; D98-R102 PolarHBondContact OD2-NE 2.91Å; D98-R102 IonicContact OD2-NH2 2.63Å; D98-R102 PolarHBondContact OD2-NH2 3.45Å
99	M	94.4	Very high	94.7	Very high	78 Å²	78	75.5 Å²	75.5	38%	0.384	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-42.6	174.1	-172.9	-170.7	67.5	0	0	111.5	Q95 W96 L101 R102 M103	Q95-M99 PolarHBondContact O-N 2.94Å; W96-M99 HydrophobicContact CD2-CE 4.07Å; W96-M99 HydrophobicContact CE3-CE 3.33Å; W96-M99 HydrophobicContact CH2-CE 3.74Å; W96-M99 HydrophobicContact CZ2-CE 4.41Å; W96-M99 HydrophobicContact CZ3-CE 3.16Å; W96-M99 WeakPolarHBondContact O-CB 3.33Å; W96-M99 PolarHBondContact O-N 2.99Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 2.96Å; M99-R102 PolarHBondContact O-N 3.17Å; M99-M103 HydrophobicContact CE-CE 3.81Å; M99-M103 HydrophobicContact CG-CE 4.34Å; M99-M103 WeakPolarHBondContact O-CG 3.41Å; M99-M103 PolarHBondContact O-N 2.95Å
100	L	95.7	Very high	94.4	Very high	57 Å²	57	70.5 Å²	70.5	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-40.5	174.6	-71.9	-179.3	0	0	0	111.6	W96 E97 D98 M103 K104	W96-L100 HydrophobicContact CZ2-CD2 4.07Å; W96-L100 WeakPolarHBondContact O-CG 3.02Å; W96-L100 PolarHBondContact O-N 3.31Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.12Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 3.27Å; L100-M103 HydrophobicContact CD2-CE 3.55Å; L100-M103 HydrophobicContact CG-CE 4.45Å; L100-M103 PolarHBondContact O-N 3.3Å; L100-K104 VanDerWaalsContact O-CG 3.3Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.74Å
101	L	93.3	Very high	94.2	Very high	48 Å²	48	76.4 Å²	76.4	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-48.6	175.7	-168.1	90.4	0	0	0	111	R40 E97 D98 M99 M103 K104 E105	R40-L101 VanDerWaalsContact NH1-CD2 3.32Å; E97-L101 PolarHBondContact O-N 3.07Å; D98-L101 WeakPolarHBondContact O-CB 3.4Å; D98-L101 PolarHBondContact O-N 2.79Å; D98-L101 VanDerWaalsContact O-N 3.14Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 2.96Å; L101-M103 VanDerWaalsContact C-N 3.3Å; L101-M103 PolarHBondContact O-N 3.34Å; L101-K104 WeakPolarHBondContact O-CB 3.06Å; L101-K104 PolarHBondContact O-N 3.13Å; L101-K104 VanDerWaalsContact O-N 3.12Å; L101-E105 PolarHBondContact O-N 3Å
102	R	92.7	Very high	94.1	Very high	134 Å²	134	76.6 Å²	76.6	51%	0.506	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-39.6	177.9	-65.1	174.6	-168.2	-166.5	2.4	111.7	D60 D98 M99 E105 Y106	D60-R102 IonicContact OD2-NH2 2.67Å; D60-R102 PolarHBondContact OD2-NH2 3.49Å; D98-R102 WeakPolarHBondContact O-CG 3.1Å; D98-R102 PolarHBondContact O-N 3.34Å; D98-R102 IonicContact OD2-CZ 3.73Å; D98-R102 IonicContact OD2-NE 3.34Å; D98-R102 PolarHBondContact OD2-NE 2.91Å; D98-R102 IonicContact OD2-NH2 2.63Å; D98-R102 PolarHBondContact OD2-NH2 3.45Å; M99-R102 PolarHBondContact O-N 3.17Å; R102-E105 PolarHBondContact O-N 2.97Å; R102-Y106 PolarHBondContact O-N 3.49Å
103	M	92.2	Very high	94	Very high	95 Å²	95	73.7 Å²	73.7	47%	0.468	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-39.4	174.8	-72.9	-168.6	-66.9	0	0	112.9	M99 L100 L101 E105 Y106 E107	M99-M103 HydrophobicContact CE-CE 3.81Å; M99-M103 HydrophobicContact CG-CE 4.34Å; M99-M103 WeakPolarHBondContact O-CG 3.41Å; M99-M103 PolarHBondContact O-N 2.95Å; L100-M103 HydrophobicContact CD2-CE 3.55Å; L100-M103 HydrophobicContact CG-CE 4.45Å; L100-M103 PolarHBondContact O-N 3.3Å; L101-M103 VanDerWaalsContact C-N 3.3Å; L101-M103 PolarHBondContact O-N 3.34Å; M103-E105 VanDerWaalsContact C-N 3.33Å; M103-Y106 PolarHBondContact O-N 3.42Å; M103-E107 PolarHBondContact O-N 3.1Å
104	K	93.1	Very high	93.8	Very high	139 Å²	139	71.4 Å²	71.4	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-38.4	175.1	-72.2	168.9	-176.5	175.4	0	111.7	L100 L101 E107 R108	L100-K104 VanDerWaalsContact O-CG 3.3Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.74Å; L101-K104 WeakPolarHBondContact O-CB 3.06Å; L101-K104 PolarHBondContact O-N 3.13Å; L101-K104 VanDerWaalsContact O-N 3.12Å; K104-E107 PolarHBondContact O-N 3.36Å; K104-R108 VanDerWaalsContact O-CB 3.3Å; K104-R108 WeakPolarHBondContact O-CB 3.46Å; K104-R108 PolarHBondContact O-N 3.16Å
105	E	92.5	Very high	93.6	Very high	79 Å²	79	77.4 Å²	77.4	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-45.1	176.3	-71	-177.3	166.2	0	0	111.8	R37 L101 R102 M103 E107 R108 E109	R37-E105 IonicContact CZ-OE1 2.74Å; R37-E105 VanDerWaalsContact CZ-OE1 3.24Å; R37-E105 IonicContact NH1-OE1 3.16Å; R37-E105 PolarHBondContact NH1-OE1 3.24Å; R37-E105 IonicContact NH2-OE1 3.53Å; R37-E105 PolarHBondContact NH2-OE1 3.18Å; L101-E105 PolarHBondContact O-N 3Å; R102-E105 PolarHBondContact O-N 2.97Å; M103-E105 VanDerWaalsContact C-N 3.33Å; E105-E107 PolarHBondContact O-N 3.49Å; E105-R108 WeakPolarHBondContact O-CB 3.27Å; E105-R108 PolarHBondContact O-N 2.04Å; E105-E109 PolarHBondContact O-N 3.04Å
106	Y	92.1	Very high	93.5	Very high	68 Å²	68	75.7 Å²	75.7	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-45.7	174.1	-179.3	-93.3	0	0	0	111.9	P19 R21 R102 M103 E109 R110	P19-Y106 HydrophobicContact CB-CD2 3.84Å; P19-Y106 HydrophobicContact CB-CE2 3.68Å; P19-Y106 HydrophobicContact CG-CD2 4.03Å; P19-Y106 HydrophobicContact CG-CE2 3.84Å; P19-Y106 HydrophobicContact CG-CG 4.47Å; P19-Y106 WeakPolarHBondContact CG-O 3.46Å; R21-Y106 HydrophobicContact CG-CE2 4.4Å; R102-Y106 PolarHBondContact O-N 3.49Å; M103-Y106 PolarHBondContact O-N 3.42Å; Y106-E109 PolarHBondContact O-N 3.49Å; Y106-R110 PolarHBondContact O-N 2.89Å
107	E	91.8	Very high	93.3	Very high	60 Å²	60	71 Å²	71	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-37.4	178.3	-167	179.7	-169.2	0	0	112.3	M103 K104 E105 R110 R111	M103-E107 PolarHBondContact O-N 3.1Å; K104-E107 PolarHBondContact O-N 3.36Å; E105-E107 PolarHBondContact O-N 3.49Å; E107-R110 PolarHBondContact O-N 3.13Å; E107-R111 VanDerWaalsContact O-CG 3.31Å; E107-R111 WeakPolarHBondContact O-CG 3.17Å; E107-R111 PolarHBondContact O-N 3.34Å; E107-R111 IonicContact OE1-CZ 3.67Å; E107-R111 IonicContact OE1-NE 2.63Å; E107-R111 PolarHBondContact OE1-NE 2.97Å; E107-R111 IonicContact OE1-NH2 3.39Å; E107-R111 PolarHBondContact OE1-NH2 3.2Å; E107-R111 IonicContact OE2-NH2 3.76Å
108	R	92.7	Very high	93.1	Very high	57 Å²	57	68.2 Å²	68.2	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-51.8	173.7	175.8	-179.3	175.3	-91.7	6.5	110.5	D28 Y31 K104 E105 R110 R111 L112	D28-R108 PolarHBondContact O-NH2 3.49Å; Y31-R108 PolarHBondContact O-NH2 2.97Å; K104-R108 VanDerWaalsContact O-CB 3.3Å; K104-R108 WeakPolarHBondContact O-CB 3.46Å; K104-R108 PolarHBondContact O-N 3.16Å; E105-R108 WeakPolarHBondContact O-CB 3.27Å; E105-R108 PolarHBondContact O-N 2.04Å; R108-R110 VanDerWaalsContact C-N 3.35Å; R108-R110 PolarHBondContact O-N 3.29Å; R108-R111 PolarHBondContact O-N 3.22Å; R108-L112 HydrophobicContact CG-CD1 4.03Å; R108-L112 HydrophobicContact CG-CG 4.48Å; R108-L112 WeakPolarHBondContact O-CG 3.25Å; R108-L112 PolarHBondContact O-N 3.13Å
109	E	93.1	Very high	93	Very high	21 Å²	21	72.3 Å²	72.3	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-44.7	-180	-175.3	165.7	-151.1	0	0	111.8	P19 P25 V26 F27 E105 Y106 R111 L112 L113	P19-E109 HydrophobicContact CB-CB 4.18Å; P19-E109 HydrophobicContact CB-CG 3.9Å; P19-E109 WeakPolarHBondContact CB-OE2 3.49Å; P19-E109 HydrophobicContact CG-CB 4.02Å; P19-E109 HydrophobicContact CG-CG 4.04Å; P25-E109 WeakPolarHBondContact CA-OE1 3.46Å; V26-E109 PolarHBondContact N-OE1 3.1Å; F27-E109 HydrophobicContact CD2-CG 4.32Å; F27-E109 HydrophobicContact CE2-CG 4.47Å; E105-E109 PolarHBondContact O-N 3.04Å; Y106-E109 PolarHBondContact O-N 3.49Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 3.42Å; E109-L112 PolarHBondContact O-N 3.28Å; E109-L112 VanDerWaalsContact O-N 3.12Å; E109-L113 HydrophobicContact CG-CD1 4.41Å; E109-L113 WeakPolarHBondContact O-CG 3.06Å; E109-L113 PolarHBondContact O-N 3.1Å
110	R	91.7	Very high	92.9	Very high	15 Å²	15	74.1 Å²	74.1	6%	0.057	33%	0.332	C	S	.	.	H	α-helix	trans	-56	-44.9	175.5	-179.4	178.3	167.4	-126.4	-1.2	111.8	S7 E10 I17 P19 Y106 E107 R108 L113 K114	S7-R110 VanDerWaalsContact CB-CZ 3.4Å; S7-R110 VanDerWaalsContact CB-NH1 3.25Å; E10-R110 IonicContact OE1-NH2 3.11Å; E10-R110 PolarHBondContact OE1-NH2 3.14Å; E10-R110 IonicContact OE2-CZ 2.67Å; E10-R110 IonicContact OE2-NH2 2.7Å; E10-R110 PolarHBondContact OE2-NH2 3.4Å; I17-R110 HydrophobicContact CG2-CG 3.91Å; P19-R110 HydrophobicContact CG-CB 3.71Å; Y106-R110 PolarHBondContact O-N 2.89Å; E107-R110 PolarHBondContact O-N 3.13Å; R108-R110 VanDerWaalsContact C-N 3.35Å; R108-R110 PolarHBondContact O-N 3.29Å; R110-L113 PolarHBondContact O-N 3Å; R110-K114 WeakPolarHBondContact O-CG 3.38Å; R110-K114 PolarHBondContact O-N 3.27Å; R110-K114 VanDerWaalsContact O-N 3.08Å
111	R	92.7	Very high	92.7	Very high	154 Å²	154	77.9 Å²	77.9	58%	0.581	35%	0.346	S	S	*	.	H	α-helix	trans	-67.9	-35.9	179.4	-70.6	175.1	-175.4	-169.9	3.7	111.9	E107 R108 E109 K114 R115	E107-R111 VanDerWaalsContact O-CG 3.31Å; E107-R111 WeakPolarHBondContact O-CG 3.17Å; E107-R111 PolarHBondContact O-N 3.34Å; E107-R111 IonicContact OE1-CZ 3.67Å; E107-R111 IonicContact OE1-NE 2.63Å; E107-R111 PolarHBondContact OE1-NE 2.97Å; E107-R111 IonicContact OE1-NH2 3.39Å; E107-R111 PolarHBondContact OE1-NH2 3.2Å; E107-R111 IonicContact OE2-NH2 3.76Å; R108-R111 PolarHBondContact O-N 3.22Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 3.42Å; R111-K114 PolarHBondContact O-N 3.36Å; R111-R115 PolarHBondContact O-N 3.45Å
112	L	93.9	Very high	92.5	Very high	20 Å²	20	82.3 Å²	82.3	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-43.3	175.5	-69.3	175.5	0	0	0	111.9	F27 Y31 R108 E109 K114 R115 E116	F27-L112 HydrophobicContact CB-CD1 3.71Å; F27-L112 HydrophobicContact CD1-CB 4.16Å; F27-L112 HydrophobicContact CD1-CD1 4.18Å; F27-L112 HydrophobicContact CD2-CB 3.54Å; F27-L112 HydrophobicContact CD2-CD1 3.67Å; F27-L112 HydrophobicContact CD2-CG 4.25Å; F27-L112 HydrophobicContact CE1-CB 3.98Å; F27-L112 HydrophobicContact CE2-CB 3.33Å; F27-L112 HydrophobicContact CE2-CD1 4.37Å; F27-L112 HydrophobicContact CE2-CG 4.48Å; F27-L112 HydrophobicContact CG-CB 3.96Å; F27-L112 HydrophobicContact CG-CD1 3.57Å; F27-L112 HydrophobicContact CG-CG 4.36Å; F27-L112 HydrophobicContact CZ-CB 3.58Å; Y31-L112 HydrophobicContact CD1-CD1 4.23Å; Y31-L112 HydrophobicContact CD1-CD2 3.71Å; Y31-L112 HydrophobicContact CE1-CD2 3.52Å; R108-L112 HydrophobicContact CG-CD1 4.03Å; R108-L112 HydrophobicContact CG-CG 4.48Å; R108-L112 WeakPolarHBondContact O-CG 3.25Å; R108-L112 PolarHBondContact O-N 3.13Å; E109-L112 PolarHBondContact O-N 3.28Å; E109-L112 VanDerWaalsContact O-N 3.12Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 2.98Å; L112-R115 WeakPolarHBondContact O-CB 3.4Å; L112-R115 PolarHBondContact O-N 3.24Å; L112-R115 VanDerWaalsContact O-N 3.12Å; L112-E116 PolarHBondContact O-N 3.35Å
113	L	92.8	Very high	92.2	Very high	24 Å²	24	79.2 Å²	79.2	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-41.7	173.4	-68.9	173.6	0	0	0	112.1	P19 F27 E109 R110 R115 E116 K117	P19-L113 HydrophobicContact CG-CD1 4.45Å; F27-L113 HydrophobicContact CE2-CD2 3.82Å; F27-L113 HydrophobicContact CE2-CG 3.95Å; F27-L113 HydrophobicContact CZ-CD2 4Å; F27-L113 HydrophobicContact CZ-CG 4.42Å; E109-L113 HydrophobicContact CG-CD1 4.41Å; E109-L113 WeakPolarHBondContact O-CG 3.06Å; E109-L113 PolarHBondContact O-N 3.1Å; R110-L113 PolarHBondContact O-N 3Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 3.1Å; L113-E116 PolarHBondContact O-N 3.15Å; L113-K117 WeakPolarHBondContact O-CB 3.16Å; L113-K117 PolarHBondContact O-N 3.07Å
114	K	93.1	Very high	91.7	Very high	70 Å²	70	79.8 Å²	79.8	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-44.9	172.9	-74.4	-174.1	175.1	-170.5	0	112	E10 I17 R110 R111 L112 K117 A118	E10-K114 IonicContact OE1-NZ 3.24Å; E10-K114 WeakPolarHBondContact OE2-CE 3.44Å; E10-K114 IonicContact OE2-NZ 2.68Å; E10-K114 PolarHBondContact OE2-NZ 2.72Å; I17-K114 HydrophobicContact CB-CG 4.37Å; I17-K114 HydrophobicContact CD1-CG 4.07Å; I17-K114 HydrophobicContact CG1-CG 4.06Å; I17-K114 HydrophobicContact CG2-CD 4.13Å; I17-K114 HydrophobicContact CG2-CG 3.42Å; I17-K114 VanDerWaalsContact CG2-CG 3.42Å; R110-K114 WeakPolarHBondContact O-CG 3.38Å; R110-K114 PolarHBondContact O-N 3.27Å; R110-K114 VanDerWaalsContact O-N 3.08Å; R111-K114 PolarHBondContact O-N 3.36Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 2.98Å; K114-K117 PolarHBondContact O-N 3.4Å; K114-A118 WeakPolarHBondContact O-CB 2.99Å; K114-A118 PolarHBondContact O-N 2.84Å
115	R	93.4	Very high	90.7	Very high	144 Å²	144	77 Å²	77	54%	0.543	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-45.5	178.9	-177.4	179.5	177.1	174.4	-1.1	110.9	R111 L112 L113 A118 L119	R111-R115 PolarHBondContact O-N 3.45Å; L112-R115 WeakPolarHBondContact O-CB 3.4Å; L112-R115 PolarHBondContact O-N 3.24Å; L112-R115 VanDerWaalsContact O-N 3.12Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 3.1Å; R115-A118 PolarHBondContact O-N 2.92Å; R115-L119 HydrophobicContact CG-CD1 4.24Å; R115-L119 WeakPolarHBondContact O-CG 3.46Å; R115-L119 PolarHBondContact O-N 2.94Å
116	E	93.5	Very high	89.4	Confident	67 Å²	67	77.4 Å²	77.4	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-45.6	177	-167.1	-167.3	169.2	0	0	111.5	L112 L113 A118 L119 K120	L112-E116 PolarHBondContact O-N 3.35Å; L113-E116 PolarHBondContact O-N 3.15Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.39Å; E116-L119 PolarHBondContact O-N 3.48Å; E116-K120 WeakPolarHBondContact O-CG 3.31Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.45Å; E116-K120 IonicContact OE1-NZ 2.83Å; E116-K120 PolarHBondContact OE1-NZ 3.28Å
117	K	91.9	Very high	87.9	Confident	48 Å²	48	77 Å²	77	21%	0.209	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-42.2	174.8	-171.6	178.7	-174.2	172.7	0	111.7	D14 S16 I17 L113 K114 K120 K121	D14-K117 IonicContact OD1-NZ 2.83Å; D14-K117 PolarHBondContact OD1-NZ 3.47Å; D14-K117 IonicContact OD2-NZ 2.85Å; D14-K117 PolarHBondContact OD2-NZ 3.14Å; S16-K117 PolarHBondContact OG-NZ 3.18Å; I17-K117 HydrophobicContact CD1-CD 3.97Å; I17-K117 HydrophobicContact CG1-CD 4.05Å; L113-K117 WeakPolarHBondContact O-CB 3.16Å; L113-K117 PolarHBondContact O-N 3.07Å; K114-K117 PolarHBondContact O-N 3.4Å; K117-K120 PolarHBondContact O-N 3.05Å; K117-K121 WeakPolarHBondContact O-CG 3.37Å; K117-K121 PolarHBondContact O-N 3.39Å; K117-K121 VanDerWaalsContact O-N 3.07Å
118	A	92.7	Very high	86	Confident	46 Å²	46	79 Å²	79	38%	0.38	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-39.6	177.1	0	0	0	0	0	112.3	K114 R115 E116 K121 K122	K114-A118 WeakPolarHBondContact O-CB 2.99Å; K114-A118 PolarHBondContact O-N 2.84Å; R115-A118 PolarHBondContact O-N 2.92Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.39Å; A118-K121 PolarHBondContact O-N 3.38Å; A118-K122 WeakPolarHBondContact O-CG 3.48Å; A118-K122 PolarHBondContact O-N 3.25Å; A118-K122 VanDerWaalsContact O-N 3.1Å
119	L	92.9	Very high	84.1	Confident	94 Å²	94	80.1 Å²	80.1	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-43.6	175.6	-69.8	171.4	0	0	0	111.8	R115 E116 K121 K122 S123	R115-L119 HydrophobicContact CG-CD1 4.24Å; R115-L119 WeakPolarHBondContact O-CG 3.46Å; R115-L119 PolarHBondContact O-N 2.94Å; E116-L119 PolarHBondContact O-N 3.48Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.28Å; L119-K122 PolarHBondContact O-N 3.36Å; L119-K122 VanDerWaalsContact O-N 3.14Å; L119-S123 PolarHBondContact O-N 3.21Å; L119-S123 PolarHBondContact O-OG 3.48Å
120	K	92.4	Very high	82.1	Confident	117 Å²	117	87.7 Å²	87.7	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-59.2	-42.6	175.1	-72.3	177	-178	170.6	0	112	E116 K117 K122 S123 T124	E116-K120 WeakPolarHBondContact O-CG 3.31Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.45Å; E116-K120 IonicContact OE1-NZ 2.83Å; E116-K120 PolarHBondContact OE1-NZ 3.28Å; K117-K120 PolarHBondContact O-N 3.05Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.98Å; K120-S123 WeakPolarHBondContact CA-OG 3.49Å; K120-S123 PolarHBondContact O-N 2.97Å; K120-S123 PolarHBondContact O-OG 3.3Å; K120-T124 PolarHBondContact O-N 2.97Å; K120-T124 VanDerWaalsContact O-N 3.11Å; K120-T124 PolarHBondContact O-OG1 3.45Å
121	K	91.1	Very high	80.4	Confident	136 Å²	136	91.9 Å²	91.9	59%	0.591	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-41.6	174.8	-73	-179.7	177.9	-168.7	0	112.2	K117 A118 L119 T124 S125	K117-K121 WeakPolarHBondContact O-CG 3.37Å; K117-K121 PolarHBondContact O-N 3.39Å; K117-K121 VanDerWaalsContact O-N 3.07Å; A118-K121 PolarHBondContact O-N 3.38Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.28Å; K121-T124 PolarHBondContact O-N 2.03Å; K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 VanDerWaalsContact O-N 3.14Å; K121-S125 PolarHBondContact O-OG 3.29Å
122	K	91	Very high	78.6	Confident	140 Å²	140	89.5 Å²	89.5	61%	0.609	52%	0.519	S	S	*	.	H	α-helix	trans	-65.1	-44.9	177.6	-73	179.8	179.9	-170.3	0	112.1	A118 L119 K120 T124 S125 S126	A118-K122 WeakPolarHBondContact O-CG 3.48Å; A118-K122 PolarHBondContact O-N 3.25Å; A118-K122 VanDerWaalsContact O-N 3.1Å; L119-K122 PolarHBondContact O-N 3.36Å; L119-K122 VanDerWaalsContact O-N 3.14Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 2.98Å; K122-T124 VanDerWaalsContact C-N 3.31Å; K122-T124 PolarHBondContact O-N 2.87Å; K122-S125 WeakPolarHBondContact CA-OG 3.1Å; K122-S125 PolarHBondContact O-N 3.31Å; K122-S125 PolarHBondContact O-OG 3.03Å; K122-S126 PolarHBondContact O-N 3.42Å; K122-S126 PolarHBondContact O-OG 3.05Å
123	S	85.1	Confident	77.3	Confident	70 Å²	70	95 Å²	95	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-36.8	178.2	55.4	0	0	0	0	112.6	L119 K120 S126 G127	L119-S123 PolarHBondContact O-N 3.21Å; L119-S123 PolarHBondContact O-OG 3.48Å; K120-S123 WeakPolarHBondContact CA-OG 3.49Å; K120-S123 PolarHBondContact O-N 2.97Å; K120-S123 PolarHBondContact O-OG 3.3Å; S123-S126 PolarHBondContact O-OG 3.47Å; S123-G127 PolarHBondContact O-N 3Å
124	T	82.7	Confident	75.5	Confident	107 Å²	107	100.5 Å²	100.5	66%	0.656	62%	0.616	S	S	*	*	H	α-helix	trans	-66.4	-39.6	174.8	-54.3	0	0	0	0	111.8	K120 K121 K122	K120-T124 PolarHBondContact O-N 2.97Å; K120-T124 VanDerWaalsContact O-N 3.11Å; K120-T124 PolarHBondContact O-OG1 3.45Å; K121-T124 PolarHBondContact O-N 2.03Å; K122-T124 VanDerWaalsContact C-N 3.31Å; K122-T124 PolarHBondContact O-N 2.87Å
125	S	71.4	Confident	74.6	Confident	80 Å²	80	102.1 Å²	102.1	56%	0.559	63%	0.632	S	S	*	*	H	α-helix	trans	-67.6	-39	176.6	57.1	0	0	0	0	113.1	K121 K122 S128	K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 VanDerWaalsContact O-N 3.14Å; K121-S125 PolarHBondContact O-OG 3.29Å; K122-S125 WeakPolarHBondContact CA-OG 3.1Å; K122-S125 PolarHBondContact O-N 3.31Å; K122-S125 PolarHBondContact O-OG 3.03Å; S125-S128 PolarHBondContact O-OG 3.31Å; S125-S128 VanDerWaalsContact O-OG 3.05Å
126	S	65.8	Low	73.6	Confident	87 Å²	87	99.8 Å²	99.8	61%	0.608	64%	0.636	S	S	*	*	H	α-helix	trans	-76.5	-26.8	-179.8	57.8	0	0	0	0	113.7	K122 S123 S128	K122-S126 PolarHBondContact O-N 3.42Å; K122-S126 PolarHBondContact O-OG 3.05Å; S123-S126 PolarHBondContact O-OG 3.47Å; S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact O-N 2.85Å
127	G	59.6	Low	72.5	Confident	60 Å²	60	101.7 Å²	101.7	62%	0.619	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-8.2	-179.3	0	0	0	0	0	115.4	S123	S123-G127 PolarHBondContact O-N 3Å
128	S	52.9	Low	71.4	Confident	103 Å²	103	104.8 Å²	104.8	72%	0.72	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	2.2	178.9	59.8	0	0	0	0	114.3	S125 S126	S125-S128 PolarHBondContact O-OG 3.31Å; S125-S128 VanDerWaalsContact O-OG 3.05Å; S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact O-N 2.85Å
129	A	52.9	Low	70	Confident	80 Å²	80	108.5 Å²	108.5	66%	0.661	70%	0.699	S	S	*	*			trans	-105.4	18	-177.4	0	0	0	0	0	114.8	P131	A129-P131 WeakPolarHBondContact O-CD 3.34Å
130	M	51.2	Low	68.5	Low	179 Å²	179	109.5 Å²	109.5	88%	0.882	71%	0.713	S	S	*	*			trans	-91.9	102.3	166.1	-82	-172	152.8	0	0	109.5
131	P	54.3	Low	66.8	Low	104 Å²	104	108.9 Å²	108.9	68%	0.675	73%	0.728	S	S	*	*			trans	-68.6	133.6	164.7	31.2	-30.8	0	0	0	107.6	A129 V133	A129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-V133 PolarHBondContact O-N 3.09Å
132	A	55.6	Low	64.9	Low	103 Å²	103	106.8 Å²	106.8	85%	0.851	74%	0.738	S	S	*	*			trans	-59.7	106.9	163	0	0	0	0	0	107.6	G134	A132-G134 PolarHBondContact O-N 3.13Å
133	V	66.9	Low	62.8	Low	136 Å²	136	104.1 Å²	104.1	82%	0.824	75%	0.749	S	S	*	*			trans	-84.3	99.7	165.8	-174	0	0	0	0	105.7	P131	P131-V133 PolarHBondContact O-N 3.09Å
134	G	55	Low	60.8	Low	140 Å²	140	107.2 Å²	107.2	100%	1.443	77%	0.773	S	S	*	*			trans	-91.8	0	154.8	0	0	0	0	0	110.2	A132	A132-G134 PolarHBondContact O-N 3.13Å

Retrieved 134 of 134 residues in 35.1 ms (Link to these results)

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