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NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 A0A060YKE9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536990, Length 172 aa.

						>A0A060YKE9_ONCMY|A0A060YKE9|LOC110536990
MPGSVEVPTFNDLNVEEISVSSAVLKGAAHHYGSQCDKANKEFMLCRWEEKDPRKCLNEGKKVNECALNFFRQIKGSCAESFTEYWTCLDYSNLAELRQCRQQQQAFDSCVQDKLGWERPNLGELSKVTKVDTSRPLPENAYHSRPRPEPNPVIEGQLQPAKHGSRLFFWSW
					

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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	51.6	Low	87.6	Confident	233 Å²	233	124.9 Å²	124.9	100%	1.148	72%	0.721	S	S	*	*				0	142.8	0	-66.8	175.9	178.4	0	0	107.2
2	P	84.6	Confident	87.8	Confident	132 Å²	132	120.6 Å²	120.6	86%	0.857	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-55.1	142.7	171.2	24.4	-31.5	0	0	0	109.6
3	G	87.3	Confident	88.2	Confident	72 Å²	72	117.8 Å²	117.8	74%	0.742	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-66.8	160	179.8	0	0	0	0	0	112.5
4	S	90.6	Very high	88.6	Confident	114 Å²	114	118.4 Å²	118.4	80%	0.797	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-71.7	147	171.8	51.6	0	0	0	0	111.3
5	V	91.8	Very high	89	Confident	118 Å²	118	113.3 Å²	113.3	72%	0.715	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-77.5	123.9	178	-177.8	0	0	0	0	110.1	V7	V5-V7 HydrophobicContact CG1-CG2 4.01Å
6	E	90.5	Very high	89.3	Confident	159 Å²	159	113.4 Å²	113.4	74%	0.743	64%	0.639	S	S	*	*			trans	-80	115	173.1	-64.9	178	176.1	0	0	110.4	R54	E6-R54 WeakPolarHBondContact O-CD 3.26Å; E6-R54 PolarHBondContact O-NH1 2.74Å
7	V	93	Very high	89.6	Confident	110 Å²	110	114.9 Å²	114.9	67%	0.667	64%	0.64	S	S	*	*			trans	-112	139.2	179.6	-176	0	0	0	0	108.5	V5	V5-V7 HydrophobicContact CG1-CG2 4.01Å
8	P	93.9	Very high	89.9	Confident	40 Å²	40	111.4 Å²	111.4	26%	0.26	62%	0.619	S	S	.	*			trans	-58.8	158.6	174.6	25.8	-36.7	0	0	0	111.8	D12 L13 L57	P8-D12 HydrophobicContact CB-CB 4.2Å; P8-L13 HydrophobicContact CG-CD1 4.47Å; P8-L13 HydrophobicContact CG-CD2 4.02Å; P8-L13 HydrophobicContact CG-CG 4.33Å; P8-L57 HydrophobicContact CB-CD1 4.14Å; P8-L57 HydrophobicContact CG-CD1 4.09Å
9	T	94.7	Very high	90.1	Very high	77 Å²	77	111.7 Å²	111.7	47%	0.472	63%	0.629	S	S	.	*			trans	-74.7	159.4	178.9	71.3	0	0	0	0	111.1	N11 D12 L13	T9-N11 PolarHBondContact O-N 3.32Å; T9-D12 WeakPolarHBondContact CB-OD2 3.29Å; T9-D12 PolarHBondContact N-OD2 3Å; T9-D12 WeakPolarHBondContact O-CB 3.5Å; T9-D12 PolarHBondContact O-N 3.07Å; T9-D12 PolarHBondContact OG1-N 3.4Å; T9-D12 PolarHBondContact OG1-OD2 2.91Å; T9-L13 PolarHBondContact O-N 2.97Å
10	F	93.3	Very high	90.4	Very high	186 Å²	186	109 Å²	109	82%	0.816	62%	0.616	S	S	*	*	H	α-helix	trans	-58.8	-32.7	176.3	-72.3	-73.4	0	0	0	113	D12 L13 N14	F10-D12 VanDerWaalsContact C-N 3.3Å; F10-D12 PolarHBondContact O-N 3.24Å; F10-L13 PolarHBondContact O-N 3.5Å; F10-N14 PolarHBondContact O-N 3.3Å
11	N	92.2	Very high	90.6	Very high	133 Å²	133	107 Å²	107	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-33.6	177.4	-68.7	-18.3	0	0	0	111.8	T9 L13 N14	T9-N11 PolarHBondContact O-N 3.32Å; N11-L13 VanDerWaalsContact C-N 3.26Å; N11-L13 PolarHBondContact O-N 2.05Å; N11-N14 PolarHBondContact O-N 3.3Å
12	D	90.6	Very high	92.6	Very high	73 Å²	73	100.5 Å²	100.5	39%	0.39	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-28.9	178.5	-59.2	-43.2	0	0	0	112.1	P8 T9 F10 K61	P8-D12 HydrophobicContact CB-CB 4.2Å; T9-D12 WeakPolarHBondContact CB-OD2 3.29Å; T9-D12 PolarHBondContact N-OD2 3Å; T9-D12 WeakPolarHBondContact O-CB 3.5Å; T9-D12 PolarHBondContact O-N 3.07Å; T9-D12 PolarHBondContact OG1-N 3.4Å; T9-D12 PolarHBondContact OG1-OD2 2.91Å; F10-D12 VanDerWaalsContact C-N 3.3Å; F10-D12 PolarHBondContact O-N 3.24Å; D12-K61 WeakPolarHBondContact O-CE 3.21Å; D12-K61 PolarHBondContact O-NZ 3.26Å
13	L	93.1	Very high	93.2	Very high	84 Å²	84	94.3 Å²	94.3	44%	0.44	55%	0.546	S	S	.	.	H	α-helix	trans	-87.6	-12.6	-179.7	-61.6	175.7	0	0	0	113.4	P8 T9 F10 N11 V15 L57	P8-L13 HydrophobicContact CG-CD1 4.47Å; P8-L13 HydrophobicContact CG-CD2 4.02Å; P8-L13 HydrophobicContact CG-CG 4.33Å; T9-L13 PolarHBondContact O-N 2.97Å; F10-L13 PolarHBondContact O-N 3.5Å; N11-L13 VanDerWaalsContact C-N 3.26Å; N11-L13 PolarHBondContact O-N 2.05Å; L13-V15 PolarHBondContact O-N 3.18Å; L13-L57 HydrophobicContact CD2-CD1 4.15Å; L13-L57 HydrophobicContact CD2-CD2 4.26Å
14	N	93.8	Very high	93.6	Very high	127 Å²	127	91.5 Å²	91.5	68%	0.679	52%	0.515	S	S	*	.			trans	-74.2	112.3	-178.9	-167.9	12.4	0	0	0	110.3	F10 N11	F10-N14 PolarHBondContact O-N 3.3Å; N11-N14 PolarHBondContact O-N 3.3Å
15	V	94.4	Very high	93.9	Very high	42 Å²	42	90 Å²	90	26%	0.255	50%	0.497	S	S	.	.			trans	-139.8	150	179.8	-165.9	0	0	0	0	108.6	L13 E17 K61 N64	L13-V15 PolarHBondContact O-N 3.18Å; V15-E17 PolarHBondContact O-N 3.38Å; V15-K61 HydrophobicContact CG1-CG 4.28Å; V15-K61 HydrophobicContact CG2-CD 4.18Å; V15-K61 HydrophobicContact CG2-CG 3.71Å; V15-N64 HydrophobicContact CG1-CB 4.26Å; V15-N64 WeakPolarHBondContact CG1-ND2 3.38Å
16	E	94.1	Very high	94.1	Very high	115 Å²	115	88.2 Å²	88.2	54%	0.537	48%	0.48	S	S	.	.			trans	-64.7	118.2	174.2	-175.9	-177.5	176.2	0	0	109.9	N64 L68 R72	E16-N64 PolarHBondContact O-ND2 3.14Å; E16-N64 PolarHBondContact O-OD1 3.24Å; E16-L68 HydrophobicContact CB-CD1 3.76Å; E16-L68 HydrophobicContact CG-CD1 3.72Å; E16-L68 HydrophobicContact CG-CD2 4.23Å; E16-R72 IonicContact OE1-NH2 3.11Å; E16-R72 PolarHBondContact OE1-NH2 3.36Å; E16-R72 IonicContact OE2-NH2 2.7Å; E16-R72 PolarHBondContact OE2-NH2 3.02Å
17	E	94	Very high	94.3	Very high	138 Å²	138	80.8 Å²	80.8	65%	0.645	45%	0.445	S	S	*	.			trans	-83.5	150.7	-175.3	-66.9	-65.6	167.5	0	0	113	V15 S19	V15-E17 PolarHBondContact O-N 3.38Å; E17-S19 PolarHBondContact O-N 3.46Å
18	I	94.9	Very high	94.5	Very high	52 Å²	52	75.5 Å²	75.5	27%	0.267	41%	0.414	S	S	.	.			trans	-90.1	88.1	173.7	-51.2	153.4	0	0	0	108.4	V20 N64 A67 L68 F71	I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 HydrophobicContact CG2-CG1 4.29Å; I18-V20 HydrophobicContact CG2-CG2 3.87Å; I18-V20 PolarHBondContact O-N 2.93Å; I18-N64 VanDerWaalsContact CD1-OD1 3.27Å; I18-N64 WeakPolarHBondContact CD1-OD1 3.46Å; I18-N64 WeakPolarHBondContact CG1-OD1 3.44Å; I18-A67 HydrophobicContact CD1-CB 3.36Å; I18-A67 HydrophobicContact CG1-CB 4.26Å; I18-L68 HydrophobicContact CG1-CD2 4.07Å; I18-L68 HydrophobicContact CG1-CG 4.19Å; I18-F71 HydrophobicContact CG2-CD2 3.95Å; I18-F71 HydrophobicContact CG2-CE2 3.98Å
19	S	94	Very high	94.6	Very high	117 Å²	117	75.7 Å²	75.7	82%	0.818	42%	0.418	S	S	*	.			trans	-81.6	72.6	-178.5	64.8	0	0	0	0	112.2	E17	E17-S19 PolarHBondContact O-N 3.46Å
20	V	95.3	Very high	94.7	Very high	58 Å²	58	74.1 Å²	74.1	35%	0.352	41%	0.405	S	S	.	.			trans	-132.3	154.1	176.3	-55.3	0	0	0	0	111.8	I18 V24 L25	I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 HydrophobicContact CG2-CG1 4.29Å; I18-V20 HydrophobicContact CG2-CG2 3.87Å; I18-V20 PolarHBondContact O-N 2.93Å; V20-V24 HydrophobicContact CB-CB 4.1Å; V20-V24 HydrophobicContact CB-CG1 4.05Å; V20-V24 HydrophobicContact CG1-CG1 4.44Å; V20-V24 HydrophobicContact CG2-CB 4.21Å; V20-V24 HydrophobicContact CG2-CG1 4.17Å; V20-L25 HydrophobicContact CG2-CD1 4.48Å; V20-L25 HydrophobicContact CG2-CD2 3.47Å; V20-L25 VanDerWaalsContact CG2-CD2 3.47Å; V20-L25 HydrophobicContact CG2-CG 3.71Å
21	S	94.6	Very high	94.9	Very high	68 Å²	68	65.3 Å²	65.3	48%	0.476	37%	0.367	S	S	.	.			trans	-68	158.3	178.2	-56.4	0	0	0	0	112.5	A23 V24 L25	S21-A23 VanDerWaalsContact C-N 3.27Å; S21-A23 PolarHBondContact O-N 3.01Å; S21-V24 WeakPolarHBondContact O-CB 3.35Å; S21-V24 PolarHBondContact O-N 3.21Å; S21-V24 VanDerWaalsContact O-N 3.09Å; S21-L25 PolarHBondContact O-N 3.45Å
22	S	94.9	Very high	95.1	Very high	96 Å²	96	61.3 Å²	61.3	67%	0.671	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-34.3	178.7	59.3	0	0	0	0	113.2	V24 L25 K26	S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 3.46Å; S22-L25 PolarHBondContact O-N 2.94Å; S22-K26 WeakPolarHBondContact O-CB 3.38Å; S22-K26 PolarHBondContact O-N 3.33Å
23	A	95.5	Very high	95.4	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-39.4	175.2	0	0	0	0	0	112.3	S21 K26 G27 D90	S21-A23 VanDerWaalsContact C-N 3.27Å; S21-A23 PolarHBondContact O-N 3.01Å; A23-K26 PolarHBondContact O-N 2.85Å; A23-G27 PolarHBondContact O-N 3.46Å; A23-D90 HydrophobicContact CB-CB 3.71Å; A23-D90 VanDerWaalsContact CB-OD1 3.3Å; A23-D90 WeakPolarHBondContact CB-OD1 3.4Å
24	V	96.3	Very high	95.5	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-48.7	176.9	-177.6	0	0	0	0	110.3	V20 S21 S22 K26 G27 A28 F71 F82 W86	V20-V24 HydrophobicContact CB-CB 4.1Å; V20-V24 HydrophobicContact CB-CG1 4.05Å; V20-V24 HydrophobicContact CG1-CG1 4.44Å; V20-V24 HydrophobicContact CG2-CB 4.21Å; V20-V24 HydrophobicContact CG2-CG1 4.17Å; S21-V24 WeakPolarHBondContact O-CB 3.35Å; S21-V24 PolarHBondContact O-N 3.21Å; S21-V24 VanDerWaalsContact O-N 3.09Å; S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 3.46Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 3.36Å; V24-G27 PolarHBondContact O-N 3.45Å; V24-A28 PolarHBondContact O-N 3.09Å; V24-A28 VanDerWaalsContact O-N 3.1Å; V24-F71 HydrophobicContact CG1-CE1 4.05Å; V24-F82 HydrophobicContact CG1-CE1 3.62Å; V24-F82 HydrophobicContact CG1-CZ 3.64Å; V24-W86 HydrophobicContact CG2-CB 4.33Å; V24-W86 HydrophobicContact CG2-CD2 3.69Å; V24-W86 HydrophobicContact CG2-CE3 3.98Å; V24-W86 HydrophobicContact CG2-CG 3.83Å
25	L	96.8	Very high	95.6	Very high	83 Å²	83	54.4 Å²	54.4	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-43.1	176.5	-64.4	178	0	0	0	111.4	V20 S21 S22 A28 A29 F71	V20-L25 HydrophobicContact CG2-CD1 4.48Å; V20-L25 HydrophobicContact CG2-CD2 3.47Å; V20-L25 VanDerWaalsContact CG2-CD2 3.47Å; V20-L25 HydrophobicContact CG2-CG 3.71Å; S21-L25 PolarHBondContact O-N 3.45Å; S22-L25 PolarHBondContact O-N 2.94Å; L25-A28 PolarHBondContact O-N 3.41Å; L25-A29 WeakPolarHBondContact O-CA 3.34Å; L25-A29 WeakPolarHBondContact O-CB 3.4Å; L25-A29 PolarHBondContact O-N 2.9Å; L25-F71 HydrophobicContact CD2-CE2 3.86Å; L25-F71 HydrophobicContact CD2-CZ 3.73Å
26	K	96.1	Very high	95.7	Very high	80 Å²	80	52.6 Å²	52.6	35%	0.348	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-40.5	-178.9	-169	174.9	-173	176.9	0	112.4	S22 A23 V24 A29 L94 A95 L97	S22-K26 WeakPolarHBondContact O-CB 3.38Å; S22-K26 PolarHBondContact O-N 3.33Å; A23-K26 PolarHBondContact O-N 2.85Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 3.36Å; K26-A29 WeakPolarHBondContact O-CB 3.04Å; K26-A29 PolarHBondContact O-N 2.81Å; K26-L94 PolarHBondContact NZ-O 3.04Å; K26-A95 HydrophobicContact CD-CB 3.69Å; K26-A95 WeakPolarHBondContact CE-O 3.37Å; K26-A95 PolarHBondContact NZ-O 2.87Å; K26-L97 HydrophobicContact CG-CD2 4.46Å
27	G	95.1	Very high	95.8	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-43.7	175.7	0	0	0	0	0	111.8	A23 V24 Y85	A23-G27 PolarHBondContact O-N 3.46Å; V24-G27 PolarHBondContact O-N 3.45Å; G27-Y85 VanDerWaalsContact CA-CE1 3.49Å; G27-Y85 WeakPolarHBondContact O-CE1 3.45Å
28	A	96.3	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-82.9	-9.1	-179.7	0	0	0	0	0	114.6	V24 L25 H30 H31 Y32 F70 F71 I74 F82	V24-A28 PolarHBondContact O-N 3.09Å; V24-A28 VanDerWaalsContact O-N 3.1Å; L25-A28 PolarHBondContact O-N 3.41Å; A28-H30 VanDerWaalsContact C-N 3.28Å; A28-H30 PolarHBondContact O-N 3.39Å; A28-H30 VanDerWaalsContact O-N 3.11Å; A28-H31 PolarHBondContact O-N 2.66Å; A28-H31 VanDerWaalsContact O-N 3.14Å; A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 PolarHBondContact O-N 3.03Å; A28-F70 HydrophobicContact CB-CE1 3.71Å; A28-F70 HydrophobicContact CB-CZ 3.97Å; A28-F71 HydrophobicContact CB-CE1 3.88Å; A28-F71 HydrophobicContact CB-CZ 4.2Å; A28-I74 HydrophobicContact CB-CD1 4.41Å; A28-F82 HydrophobicContact CB-CE2 3.87Å; A28-F82 HydrophobicContact CB-CZ 3.85Å
29	A	96.9	Very high	96	Very high	43 Å²	43	49.1 Å²	49.1	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-54.2	-37.7	-168.2	0	0	0	0	0	114.7	L25 K26 G33	L25-A29 WeakPolarHBondContact O-CA 3.34Å; L25-A29 WeakPolarHBondContact O-CB 3.4Å; L25-A29 PolarHBondContact O-N 2.9Å; K26-A29 WeakPolarHBondContact O-CB 3.04Å; K26-A29 PolarHBondContact O-N 2.81Å; A29-G33 PolarHBondContact O-N 3.26Å
30	H	96.5	Very high	96.1	Very high	44 Å²	44	45 Å²	45	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-45.1	-178.1	-65.1	79.6	0	0	0	111.5	A28 S34 R119 P120	A28-H30 VanDerWaalsContact C-N 3.28Å; A28-H30 PolarHBondContact O-N 3.39Å; A28-H30 VanDerWaalsContact O-N 3.11Å; H30-S34 PolarHBondContact O-N 2.64Å; H30-R119 HydrophobicContact CB-CG 4.07Å; H30-R119 PolarHBondContact CD2-NH2 3.11Å; H30-R119 PolarHBondContact NE2-NH2 2.88Å; H30-P120 HydrophobicContact CB-CG 4.23Å; H30-P120 WeakPolarHBondContact O-CD 3.29Å; H30-P120 VanDerWaalsContact O-CG 3.23Å; H30-P120 WeakPolarHBondContact O-CG 3.44Å
31	H	97	Very high	96.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-71.8	-39.7	176.6	-69.3	-71.7	0	0	0	111.5	A28 G33 S34 Q35 F70 F107 D108	A28-H31 PolarHBondContact O-N 2.66Å; A28-H31 VanDerWaalsContact O-N 3.14Å; H31-G33 VanDerWaalsContact C-N 3.28Å; H31-G33 PolarHBondContact O-N 2.95Å; H31-S34 PolarHBondContact O-N 2.99Å; H31-S34 PolarHBondContact O-OG 3.31Å; H31-Q35 WeakPolarHBondContact O-CG 3.49Å; H31-Q35 PolarHBondContact O-N 3.39Å; H31-F70 HydrophobicContact CB-CE2 4Å; H31-F70 HydrophobicContact CB-CZ 3.99Å; H31-F107 AromaticContact CD2-CE1 3.59Å; H31-F107 AromaticContact NE2-CE1 3.99Å; H31-D108 IonicContact CD2-OD1 2.88Å; H31-D108 IonicContact CE1-OD1 2.9Å; H31-D108 IonicContact NE2-OD1 3.97Å; H31-D108 PolarHBondContact NE2-OD1 2.68Å
32	Y	97.3	Very high	96.3	Very high	48 Å²	48	43.5 Å²	43.5	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-43.1	174.8	175.5	-105.6	0	0	0	111.6	A28 S34 Q35 C36 N40 A67 F70	A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 PolarHBondContact O-N 3.03Å; Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 3Å; Y32-Q35 PolarHBondContact O-N 3.12Å; Y32-C36 HydrophobicContact CD2-CB 3.96Å; Y32-C36 HydrophobicContact CE2-CB 3.51Å; Y32-C36 VanDerWaalsContact CE2-SG 3.52Å; Y32-C36 WeakPolarHBondContact O-CB 3.47Å; Y32-C36 PolarHBondContact O-N 3.07Å; Y32-N40 VanDerWaalsContact CE1-ND2 3.31Å; Y32-N40 WeakPolarHBondContact CE1-ND2 3.48Å; Y32-N40 VanDerWaalsContact CZ-ND2 3.3Å; Y32-N40 PolarHBondContact OH-ND2 3.17Å; Y32-N40 VanDerWaalsContact OH-ND2 3.13Å; Y32-N40 PolarHBondContact OH-OD1 2.89Å; Y32-A67 HydrophobicContact CE2-CB 3.61Å; Y32-F70 AromaticContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CE1 4.23Å; Y32-F70 HydrophobicContact CD2-CG 4.13Å
33	G	96.4	Very high	96.5	Very high	16 Å²	16	41.6 Å²	41.6	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-34.9	178.3	0	0	0	0	0	113.5	A29 H31 D37	A29-G33 PolarHBondContact O-N 3.26Å; H31-G33 VanDerWaalsContact C-N 3.28Å; H31-G33 PolarHBondContact O-N 2.95Å; G33-D37 WeakPolarHBondContact O-CB 3.14Å
34	S	95.3	Very high	96.5	Very high	42 Å²	42	46.6 Å²	46.6	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-80.1	-42.2	176.7	60.8	0	0	0	0	112.6	H30 H31 Y32	H30-S34 PolarHBondContact O-N 2.64Å; H31-S34 PolarHBondContact O-N 2.99Å; H31-S34 PolarHBondContact O-OG 3.31Å; Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 3Å
35	Q	96.1	Very high	96.6	Very high	82 Å²	82	48.3 Å²	48.3	38%	0.383	25%	0.247	S	C	.	.	H	α-helix	trans	-76.7	-39.7	-175.2	-61.3	-49.6	-47.1	0	0	113.3	H31 Y32 F70 W117	H31-Q35 WeakPolarHBondContact O-CG 3.49Å; H31-Q35 PolarHBondContact O-N 3.39Å; Y32-Q35 PolarHBondContact O-N 3.12Å; Q35-F70 HydrophobicContact CB-CD2 4.22Å; Q35-F70 HydrophobicContact CG-CD2 4.41Å; Q35-F70 HydrophobicContact CG-CE2 4.36Å; Q35-W117 HydrophobicContact CG-CD2 3.71Å; Q35-W117 HydrophobicContact CG-CE3 3.9Å; Q35-W117 HydrophobicContact CG-CG 4.17Å; Q35-W117 HydrophobicContact CG-CH2 4.26Å; Q35-W117 HydrophobicContact CG-CZ2 4.09Å; Q35-W117 HydrophobicContact CG-CZ3 4.17Å
36	C	96.9	Very high	96.5	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.027	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.1	-178.2	-72.9	0	0	0	0	113.3	Y32 K38 N40 C66	Y32-C36 HydrophobicContact CD2-CB 3.96Å; Y32-C36 HydrophobicContact CE2-CB 3.51Å; Y32-C36 VanDerWaalsContact CE2-SG 3.52Å; Y32-C36 WeakPolarHBondContact O-CB 3.47Å; Y32-C36 PolarHBondContact O-N 3.07Å; C36-K38 VanDerWaalsContact C-N 3.34Å; C36-K38 PolarHBondContact O-N 2.93Å; C36-N40 WeakPolarHBondContact CB-ND2 3.43Å; C36-N40 WeakPolarHBondContact O-CB 3.36Å; C36-N40 VanDerWaalsContact O-CG 3.3Å; C36-N40 PolarHBondContact O-N 3.24Å; C36-N40 PolarHBondContact O-ND2 3.08Å; C36-C66 WeakPolarHBondContact CA-SG 3.21Å; C36-C66 HydrophobicContact CB-CB 4.03Å; C36-C66 WeakPolarHBondContact CB-SG 3.35Å; C36-C66 WeakPolarHBondContact SG-CB 3.46Å; C36-C66 PolarHBondContact SG-O 3.22Å; C36-C66 CovalentContact SG-SG 2.05Å; C36-C66 PolarHBondContact SG-SG 2.98Å
37	D	96.1	Very high	96.6	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-56.4	-46.8	-173.7	-164.7	42.3	0	0	0	112.1	G33 A39 N40 K41	G33-D37 WeakPolarHBondContact O-CB 3.14Å; D37-A39 PolarHBondContact O-N 3.37Å; D37-N40 PolarHBondContact O-N 3.44Å; D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 WeakPolarHBondContact O-CG 3.3Å; D37-K41 PolarHBondContact O-N 2.88Å; D37-K41 WeakPolarHBondContact OD1-CE 3.19Å; D37-K41 WeakPolarHBondContact OD1-CG 3.47Å
38	K	95.5	Very high	96.6	Very high	158 Å²	158	53.8 Å²	53.8	69%	0.687	26%	0.26	S	S	*	.	H	α-helix	trans	-56.1	-56.9	-175.4	-175.6	176.6	178.6	-179.8	0	112.7	C36 N40 K41 E42	C36-K38 VanDerWaalsContact C-N 3.34Å; C36-K38 PolarHBondContact O-N 2.93Å; K38-N40 PolarHBondContact O-N 3.28Å; K38-K41 PolarHBondContact O-N 3.43Å; K38-E42 WeakPolarHBondContact CE-OE1 3.21Å; K38-E42 WeakPolarHBondContact CG-OE1 3.1Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 VanDerWaalsContact O-CG 3.29Å; K38-E42 WeakPolarHBondContact O-CG 3.46Å; K38-E42 PolarHBondContact O-N 2.97Å
39	A	96.5	Very high	96.6	Very high	21 Å²	21	56 Å²	56	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-41.1	-178.7	0	0	0	0	0	111.8	D37 F43 V63	D37-A39 PolarHBondContact O-N 3.37Å; A39-F43 WeakPolarHBondContact O-CB 3.21Å; A39-F43 PolarHBondContact O-N 3.45Å; A39-V63 HydrophobicContact CB-CG2 4.36Å; A39-V63 WeakPolarHBondContact O-CG2 3.39Å
40	N	97.2	Very high	96.4	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-46.2	179	-75.4	-43.8	0	0	0	112	Y32 C36 D37 K38 F43 M44 V63	Y32-N40 VanDerWaalsContact CE1-ND2 3.31Å; Y32-N40 WeakPolarHBondContact CE1-ND2 3.48Å; Y32-N40 VanDerWaalsContact CZ-ND2 3.3Å; Y32-N40 PolarHBondContact OH-ND2 3.17Å; Y32-N40 VanDerWaalsContact OH-ND2 3.13Å; Y32-N40 PolarHBondContact OH-OD1 2.89Å; C36-N40 WeakPolarHBondContact CB-ND2 3.43Å; C36-N40 WeakPolarHBondContact O-CB 3.36Å; C36-N40 VanDerWaalsContact O-CG 3.3Å; C36-N40 PolarHBondContact O-N 3.24Å; C36-N40 PolarHBondContact O-ND2 3.08Å; D37-N40 PolarHBondContact O-N 3.44Å; K38-N40 PolarHBondContact O-N 3.28Å; N40-F43 PolarHBondContact O-N 3.49Å; N40-M44 WeakPolarHBondContact O-CB 3.36Å; N40-M44 VanDerWaalsContact O-CG 3.25Å; N40-M44 WeakPolarHBondContact O-CG 3.35Å; N40-M44 PolarHBondContact O-N 3.21Å; N40-V63 WeakPolarHBondContact OD1-CG1 3.29Å
41	K	97.5	Very high	96.4	Very high	55 Å²	55	56.7 Å²	56.7	24%	0.239	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-35.7	-177.7	-61.4	-74.4	-172.9	158.2	0	111.7	D37 K38 M44 L45 T129 V131	D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 WeakPolarHBondContact O-CG 3.3Å; D37-K41 PolarHBondContact O-N 2.88Å; D37-K41 WeakPolarHBondContact OD1-CE 3.19Å; D37-K41 WeakPolarHBondContact OD1-CG 3.47Å; K38-K41 PolarHBondContact O-N 3.43Å; K41-M44 PolarHBondContact O-N 2.97Å; K41-L45 WeakPolarHBondContact O-CB 3.27Å; K41-L45 PolarHBondContact O-N 3.49Å; K41-T129 WeakPolarHBondContact CD-OG1 3.07Å; K41-V131 HydrophobicContact CB-CG2 3.59Å
42	E	96.8	Very high	96.2	Very high	39 Å²	39	57.7 Å²	57.7	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-47	170.1	-75.9	175	-162.8	0	0	111.6	K38 L45 C46 V131 T133	K38-E42 WeakPolarHBondContact CE-OE1 3.21Å; K38-E42 WeakPolarHBondContact CG-OE1 3.1Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 VanDerWaalsContact O-CG 3.29Å; K38-E42 WeakPolarHBondContact O-CG 3.46Å; K38-E42 PolarHBondContact O-N 2.97Å; E42-L45 PolarHBondContact O-N 3.37Å; E42-C46 PolarHBondContact O-N 3.42Å; E42-V131 HydrophobicContact CB-CG1 4.24Å; E42-V131 HydrophobicContact CG-CG1 3.37Å; E42-T133 HydrophobicContact CG-CG2 4.38Å
43	F	97.6	Very high	96	Very high	56 Å²	56	58.5 Å²	58.5	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-46.4	175.7	170.4	-104.5	0	0	0	112.2	A39 N40 L45 C46 R47 C56 E59 V63	A39-F43 WeakPolarHBondContact O-CB 3.21Å; A39-F43 PolarHBondContact O-N 3.45Å; N40-F43 PolarHBondContact O-N 3.49Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.02Å; F43-C46 WeakPolarHBondContact O-CB 3.38Å; F43-C46 PolarHBondContact O-N 2.96Å; F43-R47 WeakPolarHBondContact O-CB 3.36Å; F43-R47 PolarHBondContact O-N 3.35Å; F43-C56 HydrophobicContact CD2-CB 4.39Å; F43-C56 HydrophobicContact CE2-CB 4.26Å; F43-E59 HydrophobicContact CB-CB 3.99Å; F43-E59 HydrophobicContact CD2-CB 3.9Å; F43-E59 HydrophobicContact CG-CB 4.46Å; F43-V63 HydrophobicContact CB-CG2 3.66Å; F43-V63 HydrophobicContact CD1-CG2 4.44Å; F43-V63 HydrophobicContact CG-CG2 4.11Å
44	M	97.3	Very high	95.9	Very high	107 Å²	107	62.8 Å²	62.8	53%	0.527	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-39.6	179.5	-72.3	-58.6	-74	0	0	111.7	N40 K41 R47 W48	N40-M44 WeakPolarHBondContact O-CB 3.36Å; N40-M44 VanDerWaalsContact O-CG 3.25Å; N40-M44 WeakPolarHBondContact O-CG 3.35Å; N40-M44 PolarHBondContact O-N 3.21Å; K41-M44 PolarHBondContact O-N 2.97Å; M44-R47 PolarHBondContact O-N 3.27Å; M44-W48 VanDerWaalsContact O-CB 3.27Å; M44-W48 WeakPolarHBondContact O-CB 3.2Å; M44-W48 PolarHBondContact O-N 3.43Å
45	L	96.6	Very high	95.8	Very high	49 Å²	49	65.4 Å²	65.4	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-46.6	174.2	-172.7	68.9	0	0	0	110.9	K41 E42 F43 R47 W48 E49 V131 T133	K41-L45 WeakPolarHBondContact O-CB 3.27Å; K41-L45 PolarHBondContact O-N 3.49Å; E42-L45 PolarHBondContact O-N 3.37Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.02Å; L45-R47 PolarHBondContact O-N 3.25Å; L45-W48 PolarHBondContact O-N 3.49Å; L45-E49 HydrophobicContact CD1-CG 4.21Å; L45-E49 WeakPolarHBondContact CD1-OE1 3.34Å; L45-E49 HydrophobicContact CG-CG 4.38Å; L45-E49 WeakPolarHBondContact O-CB 3.05Å; L45-E49 WeakPolarHBondContact O-CG 3.34Å; L45-E49 PolarHBondContact O-N 2.88Å; L45-V131 HydrophobicContact CD2-CB 4.07Å; L45-V131 HydrophobicContact CD2-CG1 4.5Å; L45-T133 HydrophobicContact CD2-CG2 3.95Å
46	C	96.6	Very high	95.7	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-52.1	175.6	-175.8	0	0	0	0	111.5	E42 F43 W48 E49 E50 C56 E59 R135	E42-C46 PolarHBondContact O-N 3.42Å; F43-C46 WeakPolarHBondContact O-CB 3.38Å; F43-C46 PolarHBondContact O-N 2.96Å; C46-W48 PolarHBondContact O-N 3.34Å; C46-E49 PolarHBondContact O-N 2.82Å; C46-E50 WeakPolarHBondContact O-CB 3.45Å; C46-E50 PolarHBondContact O-N 2.95Å; C46-C56 HydrophobicContact CB-CB 3.94Å; C46-C56 WeakPolarHBondContact CB-SG 3.19Å; C46-C56 PolarHBondContact O-SG 3.38Å; C46-C56 VanDerWaalsContact O-SG 3.39Å; C46-C56 WeakPolarHBondContact SG-CB 3.36Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.27Å; C46-E59 HydrophobicContact CB-CG 4.49Å; C46-R135 VanDerWaalsContact CA-NH2 3.27Å
47	R	96.6	Very high	95.7	Very high	86 Å²	86	63.8 Å²	63.8	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-36.4	-177.4	-172.3	69	-175.6	104.8	-0.2	111.8	F43 M44 L45 K51 P53 C56	F43-R47 WeakPolarHBondContact O-CB 3.36Å; F43-R47 PolarHBondContact O-N 3.35Å; M44-R47 PolarHBondContact O-N 3.27Å; L45-R47 PolarHBondContact O-N 3.25Å; R47-K51 PolarHBondContact NH1-O 3.46Å; R47-K51 WeakPolarHBondContact O-CA 3.49Å; R47-K51 PolarHBondContact O-N 3.46Å; R47-K51 VanDerWaalsContact O-N 3.16Å; R47-P53 VanDerWaalsContact NH1-CD 3.29Å; R47-C56 PolarHBondContact N-SG 3.23Å
48	W	96	Very high	95.6	Very high	191 Å²	191	66.3 Å²	66.3	72%	0.723	31%	0.306	S	S	*	.	H	α-helix	trans	-77.6	-38.1	-177	-157.1	-102.3	0	0	0	113.6	M44 L45 C46 K51	M44-W48 VanDerWaalsContact O-CB 3.27Å; M44-W48 WeakPolarHBondContact O-CB 3.2Å; M44-W48 PolarHBondContact O-N 3.43Å; L45-W48 PolarHBondContact O-N 3.49Å; C46-W48 PolarHBondContact O-N 3.34Å; W48-K51 VanDerWaalsContact O-CG 3.31Å; W48-K51 WeakPolarHBondContact O-CG 3.5Å; W48-K51 PolarHBondContact O-NZ 3.12Å
49	E	95.4	Very high	95.6	Very high	45 Å²	45	60.7 Å²	60.7	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-76.3	-53.2	178.1	-71.9	178.5	173.8	0	0	111.9	L45 C46 R135 P138 A141	L45-E49 HydrophobicContact CD1-CG 4.21Å; L45-E49 WeakPolarHBondContact CD1-OE1 3.34Å; L45-E49 HydrophobicContact CG-CG 4.38Å; L45-E49 WeakPolarHBondContact O-CB 3.05Å; L45-E49 WeakPolarHBondContact O-CG 3.34Å; L45-E49 PolarHBondContact O-N 2.88Å; C46-E49 PolarHBondContact O-N 2.82Å; E49-R135 IonicContact OE2-CZ 3.69Å; E49-R135 IonicContact OE2-NH1 2.81Å; E49-R135 PolarHBondContact OE2-NH1 3.16Å; E49-R135 IonicContact OE2-NH2 2.75Å; E49-R135 PolarHBondContact OE2-NH2 3.22Å; E49-P138 HydrophobicContact CB-CG 4.17Å; E49-P138 WeakPolarHBondContact O-CG 3.41Å; E49-A141 WeakPolarHBondContact O-CB 3.48Å
50	E	94.3	Very high	95.5	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-73.2	-28.8	-177.3	-72.2	-66.4	153.5	0	0	112.8	C46 D52 K55	C46-E50 WeakPolarHBondContact O-CB 3.45Å; C46-E50 PolarHBondContact O-N 2.95Å; E50-D52 PolarHBondContact O-N 3.25Å; E50-K55 HydrophobicContact CB-CD 4.32Å; E50-K55 HydrophobicContact CG-CD 4.31Å; E50-K55 WeakPolarHBondContact OE2-CD 3.15Å; E50-K55 IonicContact OE2-NZ 3.8Å; E50-K55 PolarHBondContact OE2-NZ 3.14Å
51	K	94.9	Very high	95.5	Very high	78 Å²	78	62.6 Å²	62.6	34%	0.339	29%	0.291	S	S	.	.			trans	58.3	0.6	-178.9	-57.8	176.6	-170.2	-70.3	0	115.6	R47 W48 A141 Y142	R47-K51 PolarHBondContact NH1-O 3.46Å; R47-K51 WeakPolarHBondContact O-CA 3.49Å; R47-K51 PolarHBondContact O-N 3.46Å; R47-K51 VanDerWaalsContact O-N 3.16Å; W48-K51 VanDerWaalsContact O-CG 3.31Å; W48-K51 WeakPolarHBondContact O-CG 3.5Å; W48-K51 PolarHBondContact O-NZ 3.12Å; K51-A141 HydrophobicContact CD-CB 4.22Å; K51-Y142 HydrophobicContact CD-CD1 4.07Å; K51-Y142 HydrophobicContact CD-CD2 4.39Å; K51-Y142 HydrophobicContact CD-CE1 3.43Å; K51-Y142 VanDerWaalsContact CD-CE1 3.43Å; K51-Y142 HydrophobicContact CD-CE2 3.78Å; K51-Y142 WeakPolarHBondContact CD-OH 3.46Å; K51-Y142 WeakPolarHBondContact CE-OH 3.48Å; K51-Y142 PolarHBondContact NZ-OH 2.79Å; K51-Y142 VanDerWaalsContact NZ-OH 3.16Å
52	D	93.3	Very high	95.4	Very high	22 Å²	22	65.2 Å²	65.2	12%	0.118	30%	0.302	C	S	.	.			trans	-109.2	121.6	172.7	-171	-18.7	0	0	0	110.7	E50 R54 K55	E50-D52 PolarHBondContact O-N 3.25Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 WeakPolarHBondContact OD1-CB 3.49Å; D52-R54 WeakPolarHBondContact OD1-CG 3.03Å; D52-R54 IonicContact OD1-CZ 2.8Å; D52-R54 PolarHBondContact OD1-N 3.32Å; D52-R54 IonicContact OD1-NE 2.68Å; D52-R54 PolarHBondContact OD1-NE 3.23Å; D52-R54 IonicContact OD1-NH2 2.76Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 3.13Å; D52-R54 PolarHBondContact OD2-NE 2.93Å; D52-R54 IonicContact OD2-NH2 3.74Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; D52-K55 HydrophobicContact CB-CD 4.28Å; D52-K55 HydrophobicContact CB-CG 4.37Å
53	P	93.8	Very high	95.4	Very high	65 Å²	65	64.5 Å²	64.5	42%	0.422	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-67.7	-26.7	-178.1	25.2	-30.4	0	0	0	112.5	R47 K55 C56	R47-P53 VanDerWaalsContact NH1-CD 3.29Å; P53-K55 VanDerWaalsContact C-N 3.26Å; P53-K55 PolarHBondContact O-N 3.25Å; P53-C56 PolarHBondContact O-N 3.4Å
54	R	93.8	Very high	95.4	Very high	107 Å²	107	62.8 Å²	62.8	40%	0.404	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-66.2	-30.5	-174.3	-61.3	171.3	-69	177.2	4.3	112.2	E6 D52 L57	E6-R54 WeakPolarHBondContact O-CD 3.26Å; E6-R54 PolarHBondContact O-NH1 2.74Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 WeakPolarHBondContact OD1-CB 3.49Å; D52-R54 WeakPolarHBondContact OD1-CG 3.03Å; D52-R54 IonicContact OD1-CZ 2.8Å; D52-R54 PolarHBondContact OD1-N 3.32Å; D52-R54 IonicContact OD1-NE 2.68Å; D52-R54 PolarHBondContact OD1-NE 3.23Å; D52-R54 IonicContact OD1-NH2 2.76Å; D52-R54 IonicContact OD2-CZ 3.61Å; D52-R54 IonicContact OD2-NE 3.13Å; D52-R54 PolarHBondContact OD2-NE 2.93Å; D52-R54 IonicContact OD2-NH2 3.74Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; R54-L57 WeakPolarHBondContact O-CG 3.42Å
55	K	92.8	Very high	95.3	Very high	96 Å²	96	63.3 Å²	63.3	42%	0.417	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-77.3	-25.1	-179.1	-67	-179.8	175.8	174.5	0	113.5	E50 D52 P53	E50-K55 HydrophobicContact CB-CD 4.32Å; E50-K55 HydrophobicContact CG-CD 4.31Å; E50-K55 WeakPolarHBondContact OE2-CD 3.15Å; E50-K55 IonicContact OE2-NZ 3.8Å; E50-K55 PolarHBondContact OE2-NZ 3.14Å; D52-K55 HydrophobicContact CB-CD 4.28Å; D52-K55 HydrophobicContact CB-CG 4.37Å; P53-K55 VanDerWaalsContact C-N 3.26Å; P53-K55 PolarHBondContact O-N 3.25Å
56	C	95.6	Very high	95.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-103.1	19.8	-174.6	-56.8	0	0	0	0	113.3	F43 C46 R47 P53 N58 E59 G60	F43-C56 HydrophobicContact CD2-CB 4.39Å; F43-C56 HydrophobicContact CE2-CB 4.26Å; C46-C56 HydrophobicContact CB-CB 3.94Å; C46-C56 WeakPolarHBondContact CB-SG 3.19Å; C46-C56 PolarHBondContact O-SG 3.38Å; C46-C56 VanDerWaalsContact O-SG 3.39Å; C46-C56 WeakPolarHBondContact SG-CB 3.36Å; C46-C56 CovalentContact SG-SG 2.06Å; C46-C56 PolarHBondContact SG-SG 3.27Å; R47-C56 PolarHBondContact N-SG 3.23Å; P53-C56 PolarHBondContact O-N 3.4Å; C56-N58 VanDerWaalsContact C-N 3.32Å; C56-N58 PolarHBondContact O-N 3.44Å; C56-E59 VanDerWaalsContact C-OE2 3.32Å; C56-E59 VanDerWaalsContact CA-OE2 3.24Å; C56-E59 WeakPolarHBondContact CA-OE2 3.4Å; C56-G60 PolarHBondContact O-N 3.47Å; C56-G60 VanDerWaalsContact O-N 3.08Å
57	L	95.4	Very high	95.4	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.277	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-34.6	-177.8	-69.2	176.3	0	0	0	112.1	P8 L13 R54 G60 K61	P8-L57 HydrophobicContact CB-CD1 4.14Å; P8-L57 HydrophobicContact CG-CD1 4.09Å; L13-L57 HydrophobicContact CD2-CD1 4.15Å; L13-L57 HydrophobicContact CD2-CD2 4.26Å; R54-L57 WeakPolarHBondContact O-CG 3.42Å; L57-G60 PolarHBondContact O-N 3.42Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.24Å
58	N	93.8	Very high	95.4	Very high	106 Å²	106	59.5 Å²	59.5	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-40.8	-179.3	-69.4	-28.5	0	0	0	111.7	C56 G60 K61 K62	C56-N58 VanDerWaalsContact C-N 3.32Å; C56-N58 PolarHBondContact O-N 3.44Å; N58-G60 VanDerWaalsContact C-N 3.32Å; N58-K61 WeakPolarHBondContact O-CB 3.46Å; N58-K61 PolarHBondContact O-N 3.3Å; N58-K62 WeakPolarHBondContact O-CG 3.45Å; N58-K62 PolarHBondContact O-N 3Å
59	E	95.6	Very high	95.4	Very high	40 Å²	40	53.4 Å²	53.4	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-38.7	172.4	-64.3	81.4	177.8	0	0	110.8	F43 C46 C56 K61 K62 V63	F43-E59 HydrophobicContact CB-CB 3.99Å; F43-E59 HydrophobicContact CD2-CB 3.9Å; F43-E59 HydrophobicContact CG-CB 4.46Å; C46-E59 HydrophobicContact CB-CG 4.49Å; C56-E59 VanDerWaalsContact C-OE2 3.32Å; C56-E59 VanDerWaalsContact CA-OE2 3.24Å; C56-E59 WeakPolarHBondContact CA-OE2 3.4Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.06Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 2.87Å; E59-V63 PolarHBondContact O-N 3.46Å
60	G	95.9	Very high	95.5	Very high	23 Å²	23	51.5 Å²	51.5	24%	0.237	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-40.4	172.9	0	0	0	0	0	113	C56 L57 N58 K62 V63 N64	C56-G60 PolarHBondContact O-N 3.47Å; C56-G60 VanDerWaalsContact O-N 3.08Å; L57-G60 PolarHBondContact O-N 3.42Å; N58-G60 VanDerWaalsContact C-N 3.32Å; G60-K62 VanDerWaalsContact C-N 3.35Å; G60-K62 PolarHBondContact O-N 3.17Å; G60-V63 WeakPolarHBondContact O-CB 3.41Å; G60-V63 PolarHBondContact O-N 3.3Å; G60-N64 PolarHBondContact O-N 3.45Å
61	K	96	Very high	95.6	Very high	68 Å²	68	51.9 Å²	51.9	30%	0.296	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-42.2	173.5	-71.7	178	-174.1	-172.4	0	112	D12 V15 L57 N58 E59 V63 N64 E65	D12-K61 WeakPolarHBondContact O-CE 3.21Å; D12-K61 PolarHBondContact O-NZ 3.26Å; V15-K61 HydrophobicContact CG1-CG 4.28Å; V15-K61 HydrophobicContact CG2-CD 4.18Å; V15-K61 HydrophobicContact CG2-CG 3.71Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.24Å; N58-K61 WeakPolarHBondContact O-CB 3.46Å; N58-K61 PolarHBondContact O-N 3.3Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.06Å; K61-V63 VanDerWaalsContact C-N 3.35Å; K61-V63 PolarHBondContact O-N 3.07Å; K61-N64 PolarHBondContact O-N 2.69Å; K61-E65 WeakPolarHBondContact O-CB 3.02Å; K61-E65 PolarHBondContact O-N 3.24Å
62	K	96	Very high	95.6	Very high	110 Å²	110	54.1 Å²	54.1	48%	0.478	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-38.2	176.5	-66.9	176.5	-177.1	176.9	0	112.5	N58 E59 G60 N64 E65 C66	N58-K62 WeakPolarHBondContact O-CG 3.45Å; N58-K62 PolarHBondContact O-N 3Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 2.87Å; G60-K62 VanDerWaalsContact C-N 3.35Å; G60-K62 PolarHBondContact O-N 3.17Å; K62-N64 VanDerWaalsContact C-N 3.33Å; K62-E65 PolarHBondContact O-N 3.49Å; K62-C66 WeakPolarHBondContact O-CB 3.43Å; K62-C66 PolarHBondContact O-N 2.91Å
63	V	97.3	Very high	95.8	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-47.7	173	165.7	0	0	0	0	110.4	A39 N40 F43 E59 G60 K61 C66 A67	A39-V63 HydrophobicContact CB-CG2 4.36Å; A39-V63 WeakPolarHBondContact O-CG2 3.39Å; N40-V63 WeakPolarHBondContact OD1-CG1 3.29Å; F43-V63 HydrophobicContact CB-CG2 3.66Å; F43-V63 HydrophobicContact CD1-CG2 4.44Å; F43-V63 HydrophobicContact CG-CG2 4.11Å; E59-V63 PolarHBondContact O-N 3.46Å; G60-V63 WeakPolarHBondContact O-CB 3.41Å; G60-V63 PolarHBondContact O-N 3.3Å; K61-V63 VanDerWaalsContact C-N 3.35Å; K61-V63 PolarHBondContact O-N 3.07Å; V63-C66 PolarHBondContact O-N 2.97Å; V63-A67 PolarHBondContact O-N 3.19Å
64	N	96.5	Very high	95.9	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-43.6	-179.7	-162.9	7	0	0	0	111.9	V15 E16 I18 G60 K61 K62 C66 A67 L68	V15-N64 HydrophobicContact CG1-CB 4.26Å; V15-N64 WeakPolarHBondContact CG1-ND2 3.38Å; E16-N64 PolarHBondContact O-ND2 3.14Å; E16-N64 PolarHBondContact O-OD1 3.24Å; I18-N64 VanDerWaalsContact CD1-OD1 3.27Å; I18-N64 WeakPolarHBondContact CD1-OD1 3.46Å; I18-N64 WeakPolarHBondContact CG1-OD1 3.44Å; G60-N64 PolarHBondContact O-N 3.45Å; K61-N64 PolarHBondContact O-N 2.69Å; K62-N64 VanDerWaalsContact C-N 3.33Å; N64-C66 PolarHBondContact O-N 3.45Å; N64-A67 PolarHBondContact O-N 3.17Å; N64-L68 WeakPolarHBondContact O-CG 3.07Å; N64-L68 PolarHBondContact O-N 3.45Å
65	E	96.3	Very high	95.9	Very high	117 Å²	117	57.5 Å²	57.5	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-43.8	173.9	-174.3	-178.4	-178.7	0	0	112.4	K61 K62 A67 L68 N69	K61-E65 WeakPolarHBondContact O-CB 3.02Å; K61-E65 PolarHBondContact O-N 3.24Å; K62-E65 PolarHBondContact O-N 3.49Å; E65-A67 PolarHBondContact O-N 3.48Å; E65-L68 PolarHBondContact O-N 3.36Å; E65-N69 WeakPolarHBondContact O-CB 3.33Å; E65-N69 PolarHBondContact O-N 3.49Å; E65-N69 PolarHBondContact O-ND2 2.05Å
66	C	97.2	Very high	96.1	Very high	34 Å²	34	56.2 Å²	56.2	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-45.4	176.7	-166.5	0	0	0	0	111.5	C36 K62 V63 N64 N69 F70	C36-C66 WeakPolarHBondContact CA-SG 3.21Å; C36-C66 HydrophobicContact CB-CB 4.03Å; C36-C66 WeakPolarHBondContact CB-SG 3.35Å; C36-C66 WeakPolarHBondContact SG-CB 3.46Å; C36-C66 PolarHBondContact SG-O 3.22Å; C36-C66 CovalentContact SG-SG 2.05Å; C36-C66 PolarHBondContact SG-SG 2.98Å; K62-C66 WeakPolarHBondContact O-CB 3.43Å; K62-C66 PolarHBondContact O-N 2.91Å; V63-C66 PolarHBondContact O-N 2.97Å; N64-C66 PolarHBondContact O-N 3.45Å; C66-N69 PolarHBondContact O-N 3.49Å; C66-F70 VanDerWaalsContact O-CB 3.29Å; C66-F70 WeakPolarHBondContact O-CB 3.45Å; C66-F70 PolarHBondContact O-N 3.38Å
67	A	97.1	Very high	96	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-41.8	179.2	0	0	0	0	0	112.7	I18 Y32 V63 N64 E65 F70 F71	I18-A67 HydrophobicContact CD1-CB 3.36Å; I18-A67 HydrophobicContact CG1-CB 4.26Å; Y32-A67 HydrophobicContact CE2-CB 3.61Å; V63-A67 PolarHBondContact O-N 3.19Å; N64-A67 PolarHBondContact O-N 3.17Å; E65-A67 PolarHBondContact O-N 3.48Å; A67-F70 WeakPolarHBondContact O-CB 3.29Å; A67-F70 PolarHBondContact O-N 2.84Å; A67-F71 WeakPolarHBondContact O-CD2 3.48Å; A67-F71 PolarHBondContact O-N 3.14Å
68	L	96.8	Very high	96	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.12	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-46.7	174.8	-73.2	167.6	0	0	0	111.5	E16 I18 N64 E65 F70 F71 R72	E16-L68 HydrophobicContact CB-CD1 3.76Å; E16-L68 HydrophobicContact CG-CD1 3.72Å; E16-L68 HydrophobicContact CG-CD2 4.23Å; I18-L68 HydrophobicContact CG1-CD2 4.07Å; I18-L68 HydrophobicContact CG1-CG 4.19Å; N64-L68 WeakPolarHBondContact O-CG 3.07Å; N64-L68 PolarHBondContact O-N 3.45Å; E65-L68 PolarHBondContact O-N 3.36Å; L68-F70 VanDerWaalsContact C-N 3.33Å; L68-F70 PolarHBondContact O-N 3Å; L68-F71 PolarHBondContact O-N 3.31Å; L68-R72 WeakPolarHBondContact O-CB 3.3Å; L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.29Å
69	N	96	Very high	96.1	Very high	63 Å²	63	52.2 Å²	52.2	34%	0.337	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-39.4	178	-71.9	-25.2	0	0	0	111.9	E65 C66 R72 Q73	E65-N69 WeakPolarHBondContact O-CB 3.33Å; E65-N69 PolarHBondContact O-N 3.49Å; E65-N69 PolarHBondContact O-ND2 2.05Å; C66-N69 PolarHBondContact O-N 3.49Å; N69-R72 PolarHBondContact O-N 3.11Å; N69-R72 PolarHBondContact OD1-NH1 2.97Å; N69-Q73 WeakPolarHBondContact O-CG 3.13Å; N69-Q73 PolarHBondContact O-N 3.47Å
70	F	96.9	Very high	96.2	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-49.7	174.4	169.2	-95.7	0	0	0	112.2	A28 H31 Y32 Q35 C66 A67 L68 R72 Q73 I74 W117	A28-F70 HydrophobicContact CB-CE1 3.71Å; A28-F70 HydrophobicContact CB-CZ 3.97Å; H31-F70 HydrophobicContact CB-CE2 4Å; H31-F70 HydrophobicContact CB-CZ 3.99Å; Y32-F70 AromaticContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CE1 4.23Å; Y32-F70 HydrophobicContact CD2-CG 4.13Å; Q35-F70 HydrophobicContact CB-CD2 4.22Å; Q35-F70 HydrophobicContact CG-CD2 4.41Å; Q35-F70 HydrophobicContact CG-CE2 4.36Å; C66-F70 VanDerWaalsContact O-CB 3.29Å; C66-F70 WeakPolarHBondContact O-CB 3.45Å; C66-F70 PolarHBondContact O-N 3.38Å; A67-F70 WeakPolarHBondContact O-CB 3.29Å; A67-F70 PolarHBondContact O-N 2.84Å; L68-F70 VanDerWaalsContact C-N 3.33Å; L68-F70 PolarHBondContact O-N 3Å; F70-R72 VanDerWaalsContact C-N 3.34Å; F70-R72 PolarHBondContact O-N 2.75Å; F70-Q73 PolarHBondContact O-N 3.47Å; F70-I74 HydrophobicContact CD1-CD1 4.12Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE2-CD1 3.88Å; F70-I74 HydrophobicContact CZ-CD1 3.3Å; F70-I74 HydrophobicContact CZ-CG1 4.39Å; F70-I74 PolarHBondContact O-N 2.92Å; F70-W117 AromaticContact CD2-CH2 3.89Å; F70-W117 HydrophobicContact CD2-CH2 3.89Å; F70-W117 AromaticContact CD2-CZ3 3.73Å; F70-W117 HydrophobicContact CD2-CZ3 3.73Å; F70-W117 HydrophobicContact CE2-CE3 4.28Å; F70-W117 HydrophobicContact CE2-CH2 4.23Å; F70-W117 AromaticContact CE2-CZ3 3.59Å; F70-W117 HydrophobicContact CE2-CZ3 3.59Å
71	F	96.6	Very high	96.1	Very high	32 Å²	32	58 Å²	58	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-32.5	178	-76.5	-64.4	0	0	0	112.8	I18 V24 L25 A28 A67 L68 Q73 I74 K75 F82	I18-F71 HydrophobicContact CG2-CD2 3.95Å; I18-F71 HydrophobicContact CG2-CE2 3.98Å; V24-F71 HydrophobicContact CG1-CE1 4.05Å; L25-F71 HydrophobicContact CD2-CE2 3.86Å; L25-F71 HydrophobicContact CD2-CZ 3.73Å; A28-F71 HydrophobicContact CB-CE1 3.88Å; A28-F71 HydrophobicContact CB-CZ 4.2Å; A67-F71 WeakPolarHBondContact O-CD2 3.48Å; A67-F71 PolarHBondContact O-N 3.14Å; L68-F71 PolarHBondContact O-N 3.31Å; F71-Q73 VanDerWaalsContact C-N 3.33Å; F71-I74 PolarHBondContact O-N 3.25Å; F71-K75 VanDerWaalsContact O-CB 3.29Å; F71-K75 WeakPolarHBondContact O-CB 2.83Å; F71-K75 PolarHBondContact O-N 2.94Å; F71-F82 HydrophobicContact CE1-CE1 4.49Å; F71-F82 HydrophobicContact CE1-CZ 4.29Å
72	R	96.1	Very high	96.2	Very high	125 Å²	125	55.4 Å²	55.4	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-41.5	171.7	-74.1	169.4	-173.6	156.3	1.1	111.3	E16 L68 N69 F70 K75 G76	E16-R72 IonicContact OE1-NH2 3.11Å; E16-R72 PolarHBondContact OE1-NH2 3.36Å; E16-R72 IonicContact OE2-NH2 2.7Å; E16-R72 PolarHBondContact OE2-NH2 3.02Å; L68-R72 WeakPolarHBondContact O-CB 3.3Å; L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.29Å; N69-R72 PolarHBondContact O-N 3.11Å; N69-R72 PolarHBondContact OD1-NH1 2.97Å; F70-R72 VanDerWaalsContact C-N 3.34Å; F70-R72 PolarHBondContact O-N 2.75Å; R72-K75 PolarHBondContact O-N 2.89Å; R72-G76 PolarHBondContact O-N 3.1Å
73	Q	96.1	Very high	96.2	Very high	94 Å²	94	53.1 Å²	53.1	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-68	-43.3	177.5	-72	173.4	4	0	0	112.4	N69 F70 F71 K75 G76 S77 W117	N69-Q73 WeakPolarHBondContact O-CG 3.13Å; N69-Q73 PolarHBondContact O-N 3.47Å; F70-Q73 PolarHBondContact O-N 3.47Å; F71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.43Å; Q73-G76 PolarHBondContact O-N 3.42Å; Q73-S77 PolarHBondContact O-N 2.89Å; Q73-S77 PolarHBondContact O-OG 3.44Å; Q73-W117 HydrophobicContact CB-CH2 4.13Å
74	I	95.7	Very high	96.2	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-44.5	174.6	-70.1	178.3	0	0	0	110.9	A28 F70 F71 G76 S77 C78 A79 F82 F107 W117	A28-I74 HydrophobicContact CB-CD1 4.41Å; F70-I74 HydrophobicContact CD1-CD1 4.12Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE2-CD1 3.88Å; F70-I74 HydrophobicContact CZ-CD1 3.3Å; F70-I74 HydrophobicContact CZ-CG1 4.39Å; F70-I74 PolarHBondContact O-N 2.92Å; F71-I74 PolarHBondContact O-N 3.25Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 3.39Å; I74-S77 PolarHBondContact O-N 2.94Å; I74-C78 CarbonylContact O-C 3.43Å; I74-C78 PolarHBondContact O-N 3.04Å; I74-A79 PolarHBondContact O-N 3.39Å; I74-F82 HydrophobicContact CG2-CB 3.96Å; I74-F82 HydrophobicContact CG2-CD1 3.64Å; I74-F82 HydrophobicContact CG2-CD2 4.37Å; I74-F82 HydrophobicContact CG2-CE1 4.22Å; I74-F82 HydrophobicContact CG2-CG 3.73Å; I74-F107 HydrophobicContact CD1-CZ 4.19Å; I74-F107 HydrophobicContact CG2-CE2 4.28Å; I74-W117 HydrophobicContact CG1-CZ3 4.34Å
75	K	95.1	Very high	96.2	Very high	169 Å²	169	57 Å²	57	74%	0.735	30%	0.3	S	S	*	.	H	α-helix	trans	-63.3	-34.5	178.2	-172.6	177	-179.9	179.5	0	112.5	F71 R72 Q73 A79	F71-K75 VanDerWaalsContact O-CB 3.29Å; F71-K75 WeakPolarHBondContact O-CB 2.83Å; F71-K75 PolarHBondContact O-N 2.94Å; R72-K75 PolarHBondContact O-N 2.89Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.43Å; K75-A79 WeakPolarHBondContact O-CB 3.14Å
76	G	95.3	Very high	96.2	Very high	69 Å²	69	54.4 Å²	54.4	71%	0.711	29%	0.285	S	S	*	.	H	α-helix	trans	-73.2	-33.2	177.2	0	0	0	0	0	114	R72 Q73 I74	R72-G76 PolarHBondContact O-N 3.1Å; Q73-G76 PolarHBondContact O-N 3.42Å; I74-G76 VanDerWaalsContact C-N 3.3Å; I74-G76 PolarHBondContact O-N 3.39Å
77	S	94.8	Very high	96.1	Very high	35 Å²	35	56.1 Å²	56.1	25%	0.245	30%	0.295	C	S	.	.	H	α-helix	trans	-106.1	-47.3	-170.5	-62.8	0	0	0	0	114.3	Q73 I74 K114	Q73-S77 PolarHBondContact O-N 2.89Å; Q73-S77 PolarHBondContact O-OG 3.44Å; I74-S77 PolarHBondContact O-N 2.94Å; S77-K114 VanDerWaalsContact O-CD 3.26Å; S77-K114 WeakPolarHBondContact O-CD 3.09Å; S77-K114 PolarHBondContact O-NZ 2.94Å
78	C	95.8	Very high	96.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	31%	0.305	C	S	.	.	S	Bend	trans	-132.5	37.8	-166.1	-66.3	0	0	0	0	112.8	I74 E80 S81 F82 C110 V111	I74-C78 CarbonylContact O-C 3.43Å; I74-C78 PolarHBondContact O-N 3.04Å; C78-E80 PolarHBondContact O-N 3.48Å; C78-S81 PolarHBondContact O-OG 3.04Å; C78-F82 WeakPolarHBondContact O-CB 3.34Å; C78-F82 PolarHBondContact O-N 2.66Å; C78-F82 VanDerWaalsContact O-N 3.09Å; C78-C110 VanDerWaalsContact CA-SG 3.59Å; C78-C110 HydrophobicContact CB-CB 3.98Å; C78-C110 WeakPolarHBondContact CB-SG 3.08Å; C78-C110 WeakPolarHBondContact SG-CB 3.33Å; C78-C110 PolarHBondContact SG-O 3.47Å; C78-C110 CovalentContact SG-SG 2.05Å; C78-C110 PolarHBondContact SG-SG 3.4Å; C78-V111 HydrophobicContact CB-CG2 4.45Å
79	A	95.8	Very high	96	Very high	39 Å²	39	56.6 Å²	56.6	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-43.3	-175.5	0	0	0	0	0	113.7	I74 K75 T83	I74-A79 PolarHBondContact O-N 3.39Å; K75-A79 WeakPolarHBondContact O-CB 3.14Å; A79-T83 VanDerWaalsContact O-CB 3.3Å; A79-T83 WeakPolarHBondContact O-CB 3.39Å; A79-T83 PolarHBondContact O-N 3.24Å; A79-T83 PolarHBondContact O-OG1 3.29Å
80	E	96.1	Very high	96	Very high	165 Å²	165	57.8 Å²	57.8	77%	0.771	31%	0.306	S	S	*	.	H	α-helix	trans	-68.5	-55	-175.2	-66.3	-179.9	170.8	0	0	111.9	C78 F82 T83 E84	C78-E80 PolarHBondContact O-N 3.48Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 2.9Å; E80-T83 WeakPolarHBondContact O-CA 3.24Å; E80-T83 WeakPolarHBondContact O-CB 3.23Å; E80-T83 PolarHBondContact O-N 3.45Å; E80-E84 PolarHBondContact O-N 3.37Å
81	S	95.8	Very high	95.8	Very high	20 Å²	20	67.5 Å²	67.5	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-61	-37	178.7	57.1	0	0	0	0	112.3	C78 T83 Y85	C78-S81 PolarHBondContact O-OG 3.04Å; S81-T83 VanDerWaalsContact C-N 3.35Å; S81-Y85 WeakPolarHBondContact O-CB 3.44Å; S81-Y85 PolarHBondContact O-N 2.04Å; S81-Y85 VanDerWaalsContact O-N 3.14Å
82	F	97	Very high	95.2	Very high	12 Å²	12	66.9 Å²	66.9	5%	0.053	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-39.6	173.8	-175.2	-121.6	0	0	0	111.9	V24 A28 F71 I74 C78 E80 Y85 W86 F107	V24-F82 HydrophobicContact CG1-CE1 3.62Å; V24-F82 HydrophobicContact CG1-CZ 3.64Å; A28-F82 HydrophobicContact CB-CE2 3.87Å; A28-F82 HydrophobicContact CB-CZ 3.85Å; F71-F82 HydrophobicContact CE1-CE1 4.49Å; F71-F82 HydrophobicContact CE1-CZ 4.29Å; I74-F82 HydrophobicContact CG2-CB 3.96Å; I74-F82 HydrophobicContact CG2-CD1 3.64Å; I74-F82 HydrophobicContact CG2-CD2 4.37Å; I74-F82 HydrophobicContact CG2-CE1 4.22Å; I74-F82 HydrophobicContact CG2-CG 3.73Å; C78-F82 WeakPolarHBondContact O-CB 3.34Å; C78-F82 PolarHBondContact O-N 2.66Å; C78-F82 VanDerWaalsContact O-N 3.09Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 2.9Å; F82-Y85 PolarHBondContact O-N 3.37Å; F82-W86 AromaticContact CD1-CD1 3.81Å; F82-W86 AromaticContact CE1-CD1 3.79Å; F82-W86 PolarHBondContact O-N 3.36Å; F82-F107 HydrophobicContact CB-CD2 3.73Å; F82-F107 HydrophobicContact CB-CE2 3.7Å; F82-F107 HydrophobicContact CD2-CD1 4.42Å; F82-F107 AromaticContact CD2-CD2 3.84Å; F82-F107 HydrophobicContact CD2-CD2 3.84Å; F82-F107 HydrophobicContact CD2-CE1 4.03Å; F82-F107 AromaticContact CD2-CE2 3.43Å; F82-F107 HydrophobicContact CD2-CE2 3.43Å; F82-F107 VanDerWaalsContact CD2-CE2 3.43Å; F82-F107 HydrophobicContact CD2-CG 4.32Å; F82-F107 AromaticContact CD2-CZ 3.53Å; F82-F107 HydrophobicContact CD2-CZ 3.53Å; F82-F107 HydrophobicContact CE2-CE1 4.4Å; F82-F107 HydrophobicContact CE2-CE2 4.37Å; F82-F107 HydrophobicContact CE2-CZ 4.05Å; F82-F107 HydrophobicContact CG-CD2 4.24Å; F82-F107 AromaticContact CG-CE2 3.86Å; F82-F107 HydrophobicContact CG-CE2 3.86Å; F82-F107 HydrophobicContact CG-CZ 4.35Å
83	T	96.9	Very high	94.6	Very high	63 Å²	63	69.2 Å²	69.2	39%	0.387	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-45.7	179.2	-59.3	0	0	0	0	112.6	A79 E80 S81 Y85 W86 T87	A79-T83 VanDerWaalsContact O-CB 3.3Å; A79-T83 WeakPolarHBondContact O-CB 3.39Å; A79-T83 PolarHBondContact O-N 3.24Å; A79-T83 PolarHBondContact O-OG1 3.29Å; E80-T83 WeakPolarHBondContact O-CA 3.24Å; E80-T83 WeakPolarHBondContact O-CB 3.23Å; E80-T83 PolarHBondContact O-N 3.45Å; S81-T83 VanDerWaalsContact C-N 3.35Å; T83-Y85 VanDerWaalsContact C-N 3.28Å; T83-Y85 PolarHBondContact O-N 3.48Å; T83-W86 VanDerWaalsContact CA-NE1 3.35Å; T83-W86 HydrophobicContact CG2-CZ2 3.91Å; T83-T87 WeakPolarHBondContact O-CB 3.45Å; T83-T87 PolarHBondContact O-N 3.09Å; T83-T87 PolarHBondContact O-OG1 3.46Å
84	E	96.4	Very high	94.2	Very high	123 Å²	123	70.9 Å²	70.9	58%	0.575	38%	0.377	S	S	*	.	H	α-helix	trans	-60.6	-40	174.1	-66.9	-178.9	173.4	0	0	111.8	E80 C88	E80-E84 PolarHBondContact O-N 3.37Å; E84-C88 WeakPolarHBondContact O-CB 3.13Å; E84-C88 PolarHBondContact O-N 3.45Å
85	Y	96.8	Very high	93.9	Very high	3 Å²	3	71.6 Å²	71.6	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-66	-53.3	-179.5	177.8	-131.8	0	0	0	112.9	G27 S81 F82 T83 T87 C88 L89 C100 Q103 Q104 F107	G27-Y85 VanDerWaalsContact CA-CE1 3.49Å; G27-Y85 WeakPolarHBondContact O-CE1 3.45Å; S81-Y85 WeakPolarHBondContact O-CB 3.44Å; S81-Y85 PolarHBondContact O-N 2.04Å; S81-Y85 VanDerWaalsContact O-N 3.14Å; F82-Y85 PolarHBondContact O-N 3.37Å; T83-Y85 VanDerWaalsContact C-N 3.28Å; T83-Y85 PolarHBondContact O-N 3.48Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; Y85-C88 PolarHBondContact O-N 3.32Å; Y85-L89 HydrophobicContact CD1-CD1 4.48Å; Y85-L89 HydrophobicContact CD2-CD1 4.43Å; Y85-L89 HydrophobicContact CD2-CG 4.44Å; Y85-L89 HydrophobicContact CE1-CD1 3.97Å; Y85-L89 HydrophobicContact CE2-CD1 3.9Å; Y85-L89 HydrophobicContact CE2-CD2 4.33Å; Y85-L89 HydrophobicContact CE2-CG 4.05Å; Y85-L89 PolarHBondContact O-N 3.44Å; Y85-L89 VanDerWaalsContact O-N 3.14Å; Y85-C100 HydrophobicContact CD2-CB 4.14Å; Y85-C100 HydrophobicContact CE2-CB 3.99Å; Y85-Q103 HydrophobicContact CD2-CB 3.95Å; Y85-Q103 HydrophobicContact CG-CB 4.47Å; Y85-Q104 HydrophobicContact CD2-CB 4.09Å; Y85-Q104 HydrophobicContact CE1-CG 4.45Å; Y85-Q104 HydrophobicContact CE2-CB 3.58Å; Y85-Q104 HydrophobicContact CE2-CG 4.01Å; Y85-F107 HydrophobicContact CD1-CB 4.47Å; Y85-F107 AromaticContact CD1-CD1 3.98Å; Y85-F107 HydrophobicContact CD1-CD1 3.98Å; Y85-F107 HydrophobicContact CD1-CG 4.37Å; Y85-F107 HydrophobicContact CE1-CD1 4.33Å
86	W	95.9	Very high	93.8	Very high	63 Å²	63	65.9 Å²	65.9	24%	0.239	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-30.5	-179.2	72.9	-110.3	0	0	0	111.8	V24 F82 T83 C88 L89 D90	V24-W86 HydrophobicContact CG2-CB 4.33Å; V24-W86 HydrophobicContact CG2-CD2 3.69Å; V24-W86 HydrophobicContact CG2-CE3 3.98Å; V24-W86 HydrophobicContact CG2-CG 3.83Å; F82-W86 AromaticContact CD1-CD1 3.81Å; F82-W86 AromaticContact CE1-CD1 3.79Å; F82-W86 PolarHBondContact O-N 3.36Å; T83-W86 VanDerWaalsContact CA-NE1 3.35Å; T83-W86 HydrophobicContact CG2-CZ2 3.91Å; W86-C88 VanDerWaalsContact C-N 3.34Å; W86-C88 PolarHBondContact O-N 3.31Å; W86-L89 PolarHBondContact O-N 3.33Å; W86-L89 VanDerWaalsContact O-N 3.17Å; W86-D90 HydrophobicContact CE3-CB 4.35Å; W86-D90 WeakPolarHBondContact O-CB 3.25Å; W86-D90 PolarHBondContact O-N 3.38Å
87	T	96	Very high	93.7	Very high	70 Å²	70	64.5 Å²	64.5	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-41.6	174	-58.8	0	0	0	0	111.1	T83 Y85 L89 D90 Y91	T83-T87 WeakPolarHBondContact O-CB 3.45Å; T83-T87 PolarHBondContact O-N 3.09Å; T83-T87 PolarHBondContact O-OG1 3.46Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 3.31Å; T87-D90 PolarHBondContact O-N 3.45Å; T87-Y91 PolarHBondContact O-N 3.01Å
88	C	95.8	Very high	93.7	Very high	35 Å²	35	70.9 Å²	70.9	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.7	173.5	178.6	0	0	0	0	111.8	E84 Y85 W86 Y91 C100 Q103	E84-C88 WeakPolarHBondContact O-CB 3.13Å; E84-C88 PolarHBondContact O-N 3.45Å; Y85-C88 PolarHBondContact O-N 3.32Å; W86-C88 VanDerWaalsContact C-N 3.34Å; W86-C88 PolarHBondContact O-N 3.31Å; C88-Y91 WeakPolarHBondContact O-CB 3.38Å; C88-Y91 PolarHBondContact O-N 2.83Å; C88-C100 HydrophobicContact CB-CB 3.83Å; C88-C100 WeakPolarHBondContact CB-SG 3.31Å; C88-C100 PolarHBondContact O-SG 3.05Å; C88-C100 VanDerWaalsContact O-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CB 3.18Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 3.14Å; C88-Q103 HydrophobicContact CB-CG 4.34Å
89	L	95.1	Very high	93.6	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-39.4	177.9	-70	176.1	0	0	0	112.3	Y85 W86 T87 Y91 S92 L97 C100	Y85-L89 HydrophobicContact CD1-CD1 4.48Å; Y85-L89 HydrophobicContact CD2-CD1 4.43Å; Y85-L89 HydrophobicContact CD2-CG 4.44Å; Y85-L89 HydrophobicContact CE1-CD1 3.97Å; Y85-L89 HydrophobicContact CE2-CD1 3.9Å; Y85-L89 HydrophobicContact CE2-CD2 4.33Å; Y85-L89 HydrophobicContact CE2-CG 4.05Å; Y85-L89 PolarHBondContact O-N 3.44Å; Y85-L89 VanDerWaalsContact O-N 3.14Å; W86-L89 PolarHBondContact O-N 3.33Å; W86-L89 VanDerWaalsContact O-N 3.17Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.35Å; L89-S92 PolarHBondContact O-N 3.39Å; L89-S92 PolarHBondContact O-OG 3.39Å; L89-L97 HydrophobicContact CD1-CD2 4.11Å; L89-L97 HydrophobicContact CD2-CD2 3.95Å; L89-C100 HydrophobicContact CD2-CB 4.08Å; L89-C100 HydrophobicContact CG-CB 4.44Å
90	D	95.7	Very high	93.6	Very high	88 Å²	88	73.7 Å²	73.7	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-25.4	-178.6	-157.8	51.4	0	0	0	112.6	A23 W86 T87 S92	A23-D90 HydrophobicContact CB-CB 3.71Å; A23-D90 VanDerWaalsContact CB-OD1 3.3Å; A23-D90 WeakPolarHBondContact CB-OD1 3.4Å; W86-D90 HydrophobicContact CE3-CB 4.35Å; W86-D90 WeakPolarHBondContact O-CB 3.25Å; W86-D90 PolarHBondContact O-N 3.38Å; T87-D90 PolarHBondContact O-N 3.45Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 3.02Å
91	Y	92.8	Very high	93.6	Very high	209 Å²	209	71.7 Å²	71.7	82%	0.82	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.1	176.7	-175.6	-102.6	0	0	0	113.5	T87 C88 L89	T87-Y91 PolarHBondContact O-N 3.01Å; C88-Y91 WeakPolarHBondContact O-CB 3.38Å; C88-Y91 PolarHBondContact O-N 2.83Å; L89-Y91 PolarHBondContact O-N 3.35Å
92	S	84.1	Confident	93.6	Very high	19 Å²	19	78.3 Å²	78.3	13%	0.133	37%	0.374	C	S	.	.	S	Bend	trans	-96.2	132.9	-177.9	76	0	0	0	0	111.7	L89 D90 L94 A95 E96	L89-S92 PolarHBondContact O-N 3.39Å; L89-S92 PolarHBondContact O-OG 3.39Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 3.02Å; S92-L94 PolarHBondContact O-N 2.89Å; S92-A95 PolarHBondContact O-N 3.19Å; S92-A95 WeakPolarHBondContact OG-CA 3.46Å; S92-A95 PolarHBondContact OG-N 2.96Å; S92-E96 PolarHBondContact OG-N 2.91Å; S92-E96 VanDerWaalsContact OG-N 3.14Å
93	N	82.8	Confident	93.6	Very high	173 Å²	173	80.3 Å²	80.3	93%	0.925	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.5	178.5	-70.7	-19.8	0	0	0	114.3
94	L	89.1	Confident	93.5	Very high	130 Å²	130	77.9 Å²	77.9	68%	0.681	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.7	-179.2	-63.8	176	0	0	0	113	K26 S92 E96	K26-L94 PolarHBondContact NZ-O 3.04Å; S92-L94 PolarHBondContact O-N 2.89Å; L94-E96 HydrophobicContact CB-CG 3.89Å; L94-E96 PolarHBondContact O-N 3.04Å
95	A	89.5	Confident	93.6	Very high	17 Å²	17	79 Å²	79	14%	0.14	37%	0.373	C	S	.	.			trans	46.6	55.5	-172.7	0	0	0	0	0	112.1	K26 S92 L97	K26-A95 HydrophobicContact CD-CB 3.69Å; K26-A95 WeakPolarHBondContact CE-O 3.37Å; K26-A95 PolarHBondContact NZ-O 2.87Å; S92-A95 PolarHBondContact O-N 3.19Å; S92-A95 WeakPolarHBondContact OG-CA 3.46Å; S92-A95 PolarHBondContact OG-N 2.96Å; A95-L97 PolarHBondContact O-N 3.13Å
96	E	92.6	Very high	93.6	Very high	48 Å²	48	80.9 Å²	80.9	22%	0.224	39%	0.389	C	S	.	.			trans	-75.7	111.9	-173.1	-67.7	-170	153.1	0	0	112.2	S92 L94 R98 Q99	S92-E96 PolarHBondContact OG-N 2.91Å; S92-E96 VanDerWaalsContact OG-N 3.14Å; L94-E96 HydrophobicContact CB-CG 3.89Å; L94-E96 PolarHBondContact O-N 3.04Å; E96-R98 HydrophobicContact CB-CG 4.21Å; E96-R98 VanDerWaalsContact CD-NH2 3.32Å; E96-R98 PolarHBondContact O-N 3Å; E96-R98 IonicContact OE1-CZ 3.71Å; E96-R98 IonicContact OE1-NE 2.96Å; E96-R98 IonicContact OE1-NH2 2.94Å; E96-R98 PolarHBondContact OE1-NH2 3.45Å; E96-R98 VanDerWaalsContact OE1-NH2 3.11Å; E96-R98 IonicContact OE2-CZ 2.69Å; E96-R98 IonicContact OE2-NE 3.76Å; E96-R98 PolarHBondContact OE2-NE 3.43Å; E96-R98 IonicContact OE2-NH1 3.34Å; E96-R98 IonicContact OE2-NH2 3.22Å; E96-R98 PolarHBondContact OE2-NH2 2.75Å; E96-Q99 HydrophobicContact CB-CG 4.02Å; E96-Q99 PolarHBondContact O-N 3.22Å; E96-Q99 PolarHBondContact OE2-NE2 3.3Å
97	L	93.4	Very high	93.6	Very high	41 Å²	41	77.9 Å²	77.9	22%	0.215	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.7	-179.3	-60.8	174	0	0	0	114.1	K26 L89 A95 Q99 R101	K26-L97 HydrophobicContact CG-CD2 4.46Å; L89-L97 HydrophobicContact CD1-CD2 4.11Å; L89-L97 HydrophobicContact CD2-CD2 3.95Å; A95-L97 PolarHBondContact O-N 3.13Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.33Å; L97-R101 PolarHBondContact O-NE 3.08Å
98	R	93.9	Very high	93.7	Very high	169 Å²	169	76 Å²	76	64%	0.638	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.1	179.5	68.8	-176.9	177	96.6	-1.3	113.6	E96	E96-R98 HydrophobicContact CB-CG 4.21Å; E96-R98 VanDerWaalsContact CD-NH2 3.32Å; E96-R98 PolarHBondContact O-N 3Å; E96-R98 IonicContact OE1-CZ 3.71Å; E96-R98 IonicContact OE1-NE 2.96Å; E96-R98 IonicContact OE1-NH2 2.94Å; E96-R98 PolarHBondContact OE1-NH2 3.45Å; E96-R98 VanDerWaalsContact OE1-NH2 3.11Å; E96-R98 IonicContact OE2-CZ 2.69Å; E96-R98 IonicContact OE2-NE 3.76Å; E96-R98 PolarHBondContact OE2-NE 3.43Å; E96-R98 IonicContact OE2-NH1 3.34Å; E96-R98 IonicContact OE2-NH2 3.22Å; E96-R98 PolarHBondContact OE2-NH2 2.75Å
99	Q	93.6	Very high	93.8	Very high	100 Å²	100	76.7 Å²	76.7	47%	0.467	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.2	-175.1	-61.6	-172.7	-1.4	0	0	112.7	E96 L97	E96-Q99 HydrophobicContact CB-CG 4.02Å; E96-Q99 PolarHBondContact O-N 3.22Å; E96-Q99 PolarHBondContact OE2-NE2 3.3Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.33Å
100	C	95.8	Very high	93.9	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.376	C	S	.	.			trans	-112.8	38	-171.4	-57.7	0	0	0	0	113.2	Y85 C88 L89 Q102 Q103 Q104	Y85-C100 HydrophobicContact CD2-CB 4.14Å; Y85-C100 HydrophobicContact CE2-CB 3.99Å; C88-C100 HydrophobicContact CB-CB 3.83Å; C88-C100 WeakPolarHBondContact CB-SG 3.31Å; C88-C100 PolarHBondContact O-SG 3.05Å; C88-C100 VanDerWaalsContact O-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CB 3.18Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 3.14Å; L89-C100 HydrophobicContact CD2-CB 4.08Å; L89-C100 HydrophobicContact CG-CB 4.44Å; C100-Q102 PolarHBondContact O-N 3.3Å; C100-Q103 PolarHBondContact O-OE1 3.05Å; C100-Q104 VanDerWaalsContact O-CB 3.32Å; C100-Q104 WeakPolarHBondContact O-CB 3.4Å; C100-Q104 PolarHBondContact O-N 2.99Å
101	R	96	Very high	93.9	Very high	123 Å²	123	73.4 Å²	73.4	46%	0.464	35%	0.354	S	S	.	.	H	α-helix	trans	-69.1	-30.8	-174.4	-66.8	-63	-171	-166.4	-1.8	113.8	L97 Q104 Q105	L97-R101 PolarHBondContact O-NE 3.08Å; R101-Q104 PolarHBondContact O-N 3.42Å; R101-Q105 PolarHBondContact O-N 3.04Å
102	Q	96.1	Very high	94.1	Very high	159 Å²	159	68.6 Å²	68.6	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-66.6	-49.4	177.7	-67.5	177.7	-3	0	0	110.7	C100 Q104 Q105 A106	C100-Q102 PolarHBondContact O-N 3.3Å; Q102-Q104 VanDerWaalsContact C-N 3.3Å; Q102-Q104 PolarHBondContact O-N 2.64Å; Q102-Q105 PolarHBondContact O-N 3.04Å; Q102-A106 PolarHBondContact O-N 2.99Å; Q102-A106 VanDerWaalsContact O-N 3.12Å
103	Q	96.5	Very high	94.7	Very high	54 Å²	54	74 Å²	74	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-36.1	176.6	-58.2	80.2	0.2	0	0	111	Y85 C88 C100 A106 F107	Y85-Q103 HydrophobicContact CD2-CB 3.95Å; Y85-Q103 HydrophobicContact CG-CB 4.47Å; C88-Q103 HydrophobicContact CB-CG 4.34Å; C100-Q103 PolarHBondContact O-OE1 3.05Å; Q103-A106 PolarHBondContact O-N 3.23Å; Q103-F107 WeakPolarHBondContact O-CB 3.11Å; Q103-F107 PolarHBondContact O-N 3.16Å
104	Q	96.6	Very high	95.3	Very high	12 Å²	12	72.1 Å²	72.1	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-46.4	173.5	-167.5	-157.4	-39.7	0	0	111.5	Y85 C100 R101 Q102 A106 F107 D108 R119	Y85-Q104 HydrophobicContact CD2-CB 4.09Å; Y85-Q104 HydrophobicContact CE1-CG 4.45Å; Y85-Q104 HydrophobicContact CE2-CB 3.58Å; Y85-Q104 HydrophobicContact CE2-CG 4.01Å; C100-Q104 VanDerWaalsContact O-CB 3.32Å; C100-Q104 WeakPolarHBondContact O-CB 3.4Å; C100-Q104 PolarHBondContact O-N 2.99Å; R101-Q104 PolarHBondContact O-N 3.42Å; Q102-Q104 VanDerWaalsContact C-N 3.3Å; Q102-Q104 PolarHBondContact O-N 2.64Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; Q104-A106 PolarHBondContact O-N 3.16Å; Q104-F107 PolarHBondContact O-N 3.18Å; Q104-D108 WeakPolarHBondContact CG-OD2 3.19Å; Q104-D108 PolarHBondContact NE2-OD2 2.06Å; Q104-D108 WeakPolarHBondContact O-CB 3.27Å; Q104-D108 VanDerWaalsContact O-CG 3.26Å; Q104-D108 PolarHBondContact O-N 2.76Å; Q104-R119 VanDerWaalsContact NE2-CZ 3.32Å
105	Q	96.8	Very high	95.6	Very high	147 Å²	147	68.1 Å²	68.1	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-41.9	178.8	-175.3	177.7	2.1	0	0	111.6	R101 Q102 F107 D108 S109	R101-Q105 PolarHBondContact O-N 3.04Å; Q102-Q105 PolarHBondContact O-N 3.04Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-F107 PolarHBondContact O-N 3.42Å; Q105-D108 PolarHBondContact O-N 2.88Å; Q105-S109 WeakPolarHBondContact O-CB 3.47Å; Q105-S109 PolarHBondContact O-N 2.95Å; Q105-S109 PolarHBondContact O-OG 3.41Å
106	A	97.1	Very high	95.9	Very high	41 Å²	41	70.1 Å²	70.1	34%	0.339	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-36.3	177	0	0	0	0	0	112.9	Q102 Q103 Q104 S109 C110	Q102-A106 PolarHBondContact O-N 2.99Å; Q102-A106 VanDerWaalsContact O-N 3.12Å; Q103-A106 PolarHBondContact O-N 3.23Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; Q104-A106 PolarHBondContact O-N 3.16Å; A106-S109 PolarHBondContact O-OG 2.87Å; A106-S109 VanDerWaalsContact O-OG 3.08Å; A106-C110 WeakPolarHBondContact O-CB 3.45Å; A106-C110 PolarHBondContact O-N 3.45Å
107	F	97.4	Very high	96	Very high	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-70.2	-50.2	174	172.1	-117.6	0	0	0	111.6	H31 I74 F82 Y85 Q103 Q104 Q105 S109 C110 V111	H31-F107 AromaticContact CD2-CE1 3.59Å; H31-F107 AromaticContact NE2-CE1 3.99Å; I74-F107 HydrophobicContact CD1-CZ 4.19Å; I74-F107 HydrophobicContact CG2-CE2 4.28Å; F82-F107 HydrophobicContact CB-CD2 3.73Å; F82-F107 HydrophobicContact CB-CE2 3.7Å; F82-F107 HydrophobicContact CD2-CD1 4.42Å; F82-F107 AromaticContact CD2-CD2 3.84Å; F82-F107 HydrophobicContact CD2-CD2 3.84Å; F82-F107 HydrophobicContact CD2-CE1 4.03Å; F82-F107 AromaticContact CD2-CE2 3.43Å; F82-F107 HydrophobicContact CD2-CE2 3.43Å; F82-F107 VanDerWaalsContact CD2-CE2 3.43Å; F82-F107 HydrophobicContact CD2-CG 4.32Å; F82-F107 AromaticContact CD2-CZ 3.53Å; F82-F107 HydrophobicContact CD2-CZ 3.53Å; F82-F107 HydrophobicContact CE2-CE1 4.4Å; F82-F107 HydrophobicContact CE2-CE2 4.37Å; F82-F107 HydrophobicContact CE2-CZ 4.05Å; F82-F107 HydrophobicContact CG-CD2 4.24Å; F82-F107 AromaticContact CG-CE2 3.86Å; F82-F107 HydrophobicContact CG-CE2 3.86Å; F82-F107 HydrophobicContact CG-CZ 4.35Å; Y85-F107 HydrophobicContact CD1-CB 4.47Å; Y85-F107 AromaticContact CD1-CD1 3.98Å; Y85-F107 HydrophobicContact CD1-CD1 3.98Å; Y85-F107 HydrophobicContact CD1-CG 4.37Å; Y85-F107 HydrophobicContact CE1-CD1 4.33Å; Q103-F107 WeakPolarHBondContact O-CB 3.11Å; Q103-F107 PolarHBondContact O-N 3.16Å; Q104-F107 PolarHBondContact O-N 3.18Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-F107 PolarHBondContact O-N 3.42Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.24Å; F107-C110 PolarHBondContact O-N 3Å; F107-V111 HydrophobicContact CD2-CG2 3.88Å; F107-V111 HydrophobicContact CE1-CG2 4.33Å; F107-V111 HydrophobicContact CE2-CG2 3.39Å; F107-V111 HydrophobicContact CZ-CG2 3.66Å; F107-V111 WeakPolarHBondContact O-CG2 3.13Å; F107-V111 PolarHBondContact O-N 3.48Å
108	D	97.3	Very high	96.1	Very high	29 Å²	29	73.9 Å²	73.9	16%	0.155	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-40.5	180	-72.3	-21.5	0	0	0	110.9	H31 Q104 Q105 V111 Q112 R119	H31-D108 IonicContact CD2-OD1 2.88Å; H31-D108 IonicContact CE1-OD1 2.9Å; H31-D108 IonicContact NE2-OD1 3.97Å; H31-D108 PolarHBondContact NE2-OD1 2.68Å; Q104-D108 WeakPolarHBondContact CG-OD2 3.19Å; Q104-D108 PolarHBondContact NE2-OD2 2.06Å; Q104-D108 WeakPolarHBondContact O-CB 3.27Å; Q104-D108 VanDerWaalsContact O-CG 3.26Å; Q104-D108 PolarHBondContact O-N 2.76Å; Q105-D108 PolarHBondContact O-N 2.88Å; D108-V111 PolarHBondContact O-N 3.39Å; D108-Q112 WeakPolarHBondContact O-CB 3.48Å; D108-Q112 PolarHBondContact O-N 3.38Å; D108-R119 WeakPolarHBondContact OD2-CD 3.4Å
109	S	97.3	Very high	96.2	Very high	50 Å²	50	69.4 Å²	69.4	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-44.9	176.2	67.6	0	0	0	0	112.1	Q105 A106 F107 V111 Q112 D113	Q105-S109 WeakPolarHBondContact O-CB 3.47Å; Q105-S109 PolarHBondContact O-N 2.95Å; Q105-S109 PolarHBondContact O-OG 3.41Å; A106-S109 PolarHBondContact O-OG 2.87Å; A106-S109 VanDerWaalsContact O-OG 3.08Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.24Å; S109-V111 VanDerWaalsContact C-N 3.3Å; S109-V111 PolarHBondContact O-N 2.85Å; S109-Q112 PolarHBondContact O-N 3.26Å; S109-D113 WeakPolarHBondContact O-CB 3.34Å; S109-D113 PolarHBondContact O-N 2.9Å
110	C	97.3	Very high	96.3	Very high	19 Å²	19	65.2 Å²	65.2	13%	0.128	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-43.2	176.5	-177.6	0	0	0	0	112	C78 A106 F107 D113 K114	C78-C110 VanDerWaalsContact CA-SG 3.59Å; C78-C110 HydrophobicContact CB-CB 3.98Å; C78-C110 WeakPolarHBondContact CB-SG 3.08Å; C78-C110 WeakPolarHBondContact SG-CB 3.33Å; C78-C110 PolarHBondContact SG-O 3.47Å; C78-C110 CovalentContact SG-SG 2.05Å; C78-C110 PolarHBondContact SG-SG 3.4Å; A106-C110 WeakPolarHBondContact O-CB 3.45Å; A106-C110 PolarHBondContact O-N 3.45Å; F107-C110 PolarHBondContact O-N 3Å; C110-D113 PolarHBondContact O-N 2.69Å; C110-K114 WeakPolarHBondContact O-CB 3.27Å; C110-K114 PolarHBondContact O-N 3.22Å
111	V	97	Very high	96.3	Very high	1 Å²	1	70 Å²	70	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-41.9	179.8	168.4	0	0	0	0	110.8	C78 F107 D108 S109 L115 G116 W117	C78-V111 HydrophobicContact CB-CG2 4.45Å; F107-V111 HydrophobicContact CD2-CG2 3.88Å; F107-V111 HydrophobicContact CE1-CG2 4.33Å; F107-V111 HydrophobicContact CE2-CG2 3.39Å; F107-V111 HydrophobicContact CZ-CG2 3.66Å; F107-V111 WeakPolarHBondContact O-CG2 3.13Å; F107-V111 PolarHBondContact O-N 3.48Å; D108-V111 PolarHBondContact O-N 3.39Å; S109-V111 VanDerWaalsContact C-N 3.3Å; S109-V111 PolarHBondContact O-N 2.85Å; V111-L115 CarbonylContact O-C 3.56Å; V111-L115 WeakPolarHBondContact O-CA 3.39Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 PolarHBondContact O-N 3.01Å; V111-G116 PolarHBondContact O-N 3.35Å; V111-G116 VanDerWaalsContact O-N 3.12Å; V111-W117 HydrophobicContact CG1-CB 3.67Å; V111-W117 HydrophobicContact CG1-CD2 4.32Å; V111-W117 HydrophobicContact CG1-CE3 3.85Å; V111-W117 HydrophobicContact CG1-CG 4.31Å
112	Q	96.3	Very high	96.3	Very high	107 Å²	107	72.9 Å²	72.9	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.4	-173.9	168.8	20.4	0	0	111.7	D108 S109 G116	D108-Q112 WeakPolarHBondContact O-CB 3.48Å; D108-Q112 PolarHBondContact O-N 3.38Å; S109-Q112 PolarHBondContact O-N 3.26Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 2.9Å
113	D	96.6	Very high	96.2	Very high	132 Å²	132	66.7 Å²	66.7	71%	0.706	36%	0.359	S	S	*	.	H	α-helix	trans	-69.8	-39.1	-176.2	-67.5	-23.8	0	0	0	112.9	S109 C110	S109-D113 WeakPolarHBondContact O-CB 3.34Å; S109-D113 PolarHBondContact O-N 2.9Å; C110-D113 PolarHBondContact O-N 2.69Å
114	K	96.2	Very high	96.2	Very high	135 Å²	135	67.8 Å²	67.8	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-96.5	-35.2	-174.4	-64.7	-171.2	-175.7	-177.6	0	114.5	S77 C110	S77-K114 VanDerWaalsContact O-CD 3.26Å; S77-K114 WeakPolarHBondContact O-CD 3.09Å; S77-K114 PolarHBondContact O-NZ 2.94Å; C110-K114 WeakPolarHBondContact O-CB 3.27Å; C110-K114 PolarHBondContact O-N 3.22Å
115	L	94.6	Very high	96.1	Very high	45 Å²	45	70.7 Å²	70.7	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-112.1	-14.7	-174.6	-61.9	172	0	0	0	112.5	V111 W117	V111-L115 CarbonylContact O-C 3.56Å; V111-L115 WeakPolarHBondContact O-CA 3.39Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 PolarHBondContact O-N 3.01Å; L115-W117 HydrophobicContact CB-CD2 3.86Å; L115-W117 HydrophobicContact CB-CE3 4.28Å; L115-W117 HydrophobicContact CB-CG 4.09Å; L115-W117 HydrophobicContact CB-CZ2 4.48Å; L115-W117 HydrophobicContact CD1-CD2 4.2Å; L115-W117 HydrophobicContact CD1-CE3 3.8Å; L115-W117 HydrophobicContact CD1-CH2 3.88Å; L115-W117 HydrophobicContact CD1-CZ2 4.26Å; L115-W117 HydrophobicContact CD1-CZ3 3.62Å; L115-W117 VanDerWaalsContact O-CD1 3.32Å; L115-W117 PolarHBondContact O-N 2.7Å
116	G	95.6	Very high	96	Very high	60 Å²	60	68.3 Å²	68.3	62%	0.619	38%	0.379	S	S	*	.			trans	71.2	16.8	-178.2	0	0	0	0	0	113.6	V111 Q112	V111-G116 PolarHBondContact O-N 3.35Å; V111-G116 VanDerWaalsContact O-N 3.12Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 2.9Å
117	W	95.6	Very high	96	Very high	32 Å²	32	72.7 Å²	72.7	12%	0.121	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-89.2	124.6	179.5	-54.3	-21.3	0	0	0	110.7	Q35 F70 Q73 I74 V111 L115	Q35-W117 HydrophobicContact CG-CD2 3.71Å; Q35-W117 HydrophobicContact CG-CE3 3.9Å; Q35-W117 HydrophobicContact CG-CG 4.17Å; Q35-W117 HydrophobicContact CG-CH2 4.26Å; Q35-W117 HydrophobicContact CG-CZ2 4.09Å; Q35-W117 HydrophobicContact CG-CZ3 4.17Å; F70-W117 AromaticContact CD2-CH2 3.89Å; F70-W117 HydrophobicContact CD2-CH2 3.89Å; F70-W117 AromaticContact CD2-CZ3 3.73Å; F70-W117 HydrophobicContact CD2-CZ3 3.73Å; F70-W117 HydrophobicContact CE2-CE3 4.28Å; F70-W117 HydrophobicContact CE2-CH2 4.23Å; F70-W117 AromaticContact CE2-CZ3 3.59Å; F70-W117 HydrophobicContact CE2-CZ3 3.59Å; Q73-W117 HydrophobicContact CB-CH2 4.13Å; I74-W117 HydrophobicContact CG1-CZ3 4.34Å; V111-W117 HydrophobicContact CG1-CB 3.67Å; V111-W117 HydrophobicContact CG1-CD2 4.32Å; V111-W117 HydrophobicContact CG1-CE3 3.85Å; V111-W117 HydrophobicContact CG1-CG 4.31Å; L115-W117 HydrophobicContact CB-CD2 3.86Å; L115-W117 HydrophobicContact CB-CE3 4.28Å; L115-W117 HydrophobicContact CB-CG 4.09Å; L115-W117 HydrophobicContact CB-CZ2 4.48Å; L115-W117 HydrophobicContact CD1-CD2 4.2Å; L115-W117 HydrophobicContact CD1-CE3 3.8Å; L115-W117 HydrophobicContact CD1-CH2 3.88Å; L115-W117 HydrophobicContact CD1-CZ2 4.26Å; L115-W117 HydrophobicContact CD1-CZ3 3.62Å; L115-W117 VanDerWaalsContact O-CD1 3.32Å; L115-W117 PolarHBondContact O-N 2.7Å
118	E	95.3	Very high	95.9	Very high	136 Å²	136	79.7 Å²	79.7	64%	0.636	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-91.5	139.8	172.8	-165.7	173.4	-179.3	0	0	110.2
119	R	95.3	Very high	95.8	Very high	74 Å²	74	81 Å²	81	28%	0.279	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-70.6	128.4	176.3	-177.8	169.9	173.7	-95.9	-7.1	109.2	H30 Q104 D108	H30-R119 HydrophobicContact CB-CG 4.07Å; H30-R119 PolarHBondContact CD2-NH2 3.11Å; H30-R119 PolarHBondContact NE2-NH2 2.88Å; Q104-R119 VanDerWaalsContact NE2-CZ 3.32Å; D108-R119 WeakPolarHBondContact OD2-CD 3.4Å
120	P	96.6	Very high	95.7	Very high	12 Å²	12	88.8 Å²	88.8	8%	0.078	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.6	-179.7	23.9	-33.6	0	0	0	112	H30 E124 L125	H30-P120 HydrophobicContact CB-CG 4.23Å; H30-P120 WeakPolarHBondContact O-CD 3.29Å; H30-P120 VanDerWaalsContact O-CG 3.23Å; H30-P120 WeakPolarHBondContact O-CG 3.44Å; P120-E124 WeakPolarHBondContact CA-OE2 3.19Å; P120-E124 HydrophobicContact CB-CB 4.24Å; P120-E124 VanDerWaalsContact CB-OE2 3.27Å; P120-E124 WeakPolarHBondContact CB-OE2 3.31Å; P120-L125 HydrophobicContact CB-CD2 4.37Å; P120-L125 HydrophobicContact CB-CG 4.18Å; P120-L125 HydrophobicContact CG-CD1 3.86Å; P120-L125 HydrophobicContact CG-CD2 4.11Å; P120-L125 HydrophobicContact CG-CG 3.94Å
121	N	95.3	Very high	95.6	Very high	100 Å²	100	89.9 Å²	89.9	54%	0.535	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-71.9	164.2	179.1	-65.4	-63.1	0	0	0	111.9	G123 E124	N121-G123 PolarHBondContact O-N 2.72Å; N121-E124 HydrophobicContact CB-CG 4.16Å; N121-E124 WeakPolarHBondContact CB-OE1 3.42Å; N121-E124 VanDerWaalsContact N-CD 3.3Å; N121-E124 PolarHBondContact N-OE2 3.26Å; N121-E124 PolarHBondContact ND2-OE1 2.96Å; N121-E124 PolarHBondContact O-N 2.87Å; N121-E124 VanDerWaalsContact O-N 3.16Å
122	L	95.7	Very high	95.5	Very high	185 Å²	185	97 Å²	97	97%	0.969	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.5	174.9	-175.4	66.8	0	0	0	110.2
123	G	94.6	Very high	95.4	Very high	29 Å²	29	93.7 Å²	93.7	30%	0.299	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-13.9	177	0	0	0	0	0	114.9	N121 S126 K127	N121-G123 PolarHBondContact O-N 2.72Å; G123-S126 VanDerWaalsContact CA-OG 3.29Å; G123-S126 WeakPolarHBondContact CA-OG 3.45Å; G123-S126 PolarHBondContact O-N 3.26Å; G123-S126 PolarHBondContact O-OG 3.44Å; G123-K127 WeakPolarHBondContact O-CG 3.37Å; G123-K127 PolarHBondContact O-N 3.45Å
124	E	95.1	Very high	95.2	Very high	77 Å²	77	93.9 Å²	93.9	36%	0.36	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-50.1	179.9	-72.8	177	179.8	0	0	112.1	P120 N121 S126 K127	P120-E124 WeakPolarHBondContact CA-OE2 3.19Å; P120-E124 HydrophobicContact CB-CB 4.24Å; P120-E124 VanDerWaalsContact CB-OE2 3.27Å; P120-E124 WeakPolarHBondContact CB-OE2 3.31Å; N121-E124 HydrophobicContact CB-CG 4.16Å; N121-E124 WeakPolarHBondContact CB-OE1 3.42Å; N121-E124 VanDerWaalsContact N-CD 3.3Å; N121-E124 PolarHBondContact N-OE2 3.26Å; N121-E124 PolarHBondContact ND2-OE1 2.96Å; N121-E124 PolarHBondContact O-N 2.87Å; N121-E124 VanDerWaalsContact O-N 3.16Å; E124-S126 PolarHBondContact O-N 3.44Å; E124-K127 WeakPolarHBondContact O-CB 3.39Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 VanDerWaalsContact O-N 3.16Å
125	L	95.3	Very high	94.9	Very high	73 Å²	73	89.7 Å²	89.7	38%	0.382	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.1	-179.5	-63.7	177.1	0	0	0	113.6	P120	P120-L125 HydrophobicContact CB-CD2 4.37Å; P120-L125 HydrophobicContact CB-CG 4.18Å; P120-L125 HydrophobicContact CG-CD1 3.86Å; P120-L125 HydrophobicContact CG-CD2 4.11Å; P120-L125 HydrophobicContact CG-CG 3.94Å
126	S	95.4	Very high	94.8	Very high	96 Å²	96	92.8 Å²	92.8	67%	0.671	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.1	178.3	54	0	0	0	0	113.9	G123 E124	G123-S126 VanDerWaalsContact CA-OG 3.29Å; G123-S126 WeakPolarHBondContact CA-OG 3.45Å; G123-S126 PolarHBondContact O-N 3.26Å; G123-S126 PolarHBondContact O-OG 3.44Å; E124-S126 PolarHBondContact O-N 3.44Å
127	K	95.5	Very high	94.7	Very high	133 Å²	133	96 Å²	96	58%	0.578	52%	0.518	S	S	*	.	S	Bend	trans	-66.1	143	176.1	-72.2	167.3	-171.8	175	0	110.2	G123 E124 T129	G123-K127 WeakPolarHBondContact O-CG 3.37Å; G123-K127 PolarHBondContact O-N 3.45Å; E124-K127 WeakPolarHBondContact O-CB 3.39Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 VanDerWaalsContact O-N 3.16Å; K127-T129 PolarHBondContact O-N 2.8Å
128	V	96.3	Very high	94.6	Very high	148 Å²	148	95.8 Å²	95.8	90%	0.897	52%	0.521	S	S	*	.			trans	-73.8	112.6	170.8	-178.3	0	0	0	0	107.8
129	T	94.8	Very high	94.5	Very high	56 Å²	56	98.9 Å²	98.9	34%	0.344	54%	0.535	S	S	.	.			trans	-89.9	151	177.6	52.4	0	0	0	0	110.3	K41 K127	K41-T129 WeakPolarHBondContact CD-OG1 3.07Å; K127-T129 PolarHBondContact O-N 2.8Å
130	K	95.6	Very high	94.3	Very high	214 Å²	214	98.7 Å²	98.7	93%	0.93	54%	0.54	S	S	*	.			trans	-95.6	131	169.2	-63.8	-179.1	-178.2	-179.7	0	107.7
131	V	96	Very high	94.1	Very high	42 Å²	42	99 Å²	99	26%	0.255	54%	0.544	S	S	.	.			trans	-118.7	128.3	-178.5	-174.8	0	0	0	0	107.8	K41 E42 L45 T133	K41-V131 HydrophobicContact CB-CG2 3.59Å; E42-V131 HydrophobicContact CB-CG1 4.24Å; E42-V131 HydrophobicContact CG-CG1 3.37Å; L45-V131 HydrophobicContact CD2-CB 4.07Å; L45-V131 HydrophobicContact CD2-CG1 4.5Å; V131-T133 HydrophobicContact CG1-CG2 4Å
132	D	94.2	Very high	94	Very high	150 Å²	150	102.4 Å²	102.4	80%	0.802	55%	0.55	S	S	*	.			trans	-89.3	129.3	173.6	-174.5	25.8	0	0	0	109.3
133	T	93.6	Very high	93.8	Very high	39 Å²	39	100 Å²	100	24%	0.239	53%	0.534	C	S	.	.			trans	-135.7	135.7	-178.7	61	0	0	0	0	110.9	E42 L45 V131 R135	E42-T133 HydrophobicContact CG-CG2 4.38Å; L45-T133 HydrophobicContact CD2-CG2 3.95Å; V131-T133 HydrophobicContact CG1-CG2 4Å; T133-R135 VanDerWaalsContact C-N 3.28Å; T133-R135 PolarHBondContact O-N 2.85Å
134	S	92.4	Very high	93.7	Very high	136 Å²	136	102.1 Å²	102.1	95%	0.951	54%	0.544	S	S	*	.	S	Bend	trans	-76.2	-12.3	177.8	60.6	0	0	0	0	114.4
135	R	90.4	Very high	93.6	Very high	47 Å²	47	108.6 Å²	108.6	18%	0.177	57%	0.565	C	S	.	*	S	Bend	trans	-76.3	145.7	179.3	66.6	-177.5	174.2	76.4	21.5	110.9	C46 E49 T133	C46-R135 VanDerWaalsContact CA-NH2 3.27Å; E49-R135 IonicContact OE2-CZ 3.69Å; E49-R135 IonicContact OE2-NH1 2.81Å; E49-R135 PolarHBondContact OE2-NH1 3.16Å; E49-R135 IonicContact OE2-NH2 2.75Å; E49-R135 PolarHBondContact OE2-NH2 3.22Å; T133-R135 VanDerWaalsContact C-N 3.28Å; T133-R135 PolarHBondContact O-N 2.85Å
136	P	93.3	Very high	93.6	Very high	110 Å²	110	110.8 Å²	110.8	71%	0.714	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-69.4	152.2	175.4	30.4	-34.9	0	0	0	111.1
137	L	92.9	Very high	93.6	Very high	128 Å²	128	117.3 Å²	117.3	67%	0.67	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-75.8	132.1	174.1	-170.7	132.4	0	0	0	109.8	E139	L137-E139 PolarHBondContact O-N 3.46Å
138	P	93.9	Very high	93.6	Very high	26 Å²	26	116.2 Å²	116.2	17%	0.169	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-69	120.8	-178.3	24.7	-34.5	0	0	0	111.9	E49 N140 A141	E49-P138 HydrophobicContact CB-CG 4.17Å; E49-P138 WeakPolarHBondContact O-CG 3.41Å; P138-N140 PolarHBondContact O-N 3.25Å; P138-A141 HydrophobicContact CB-CB 4.31Å; P138-A141 HydrophobicContact CG-CB 4.23Å
139	E	91.8	Very high	93.6	Very high	202 Å²	202	117.8 Å²	117.8	94%	0.944	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-36.4	178.9	-64.3	-177.6	172.3	0	0	112.9	L137	L137-E139 PolarHBondContact O-N 3.46Å
140	N	92.4	Very high	93.6	Very high	70 Å²	70	120.9 Å²	120.9	37%	0.374	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.7	72.1	-179.8	-173	2.1	0	0	0	111.2	P138 Y142 H143 S144	P138-N140 PolarHBondContact O-N 3.25Å; N140-Y142 PolarHBondContact O-N 2.97Å; N140-Y142 VanDerWaalsContact O-N 3.17Å; N140-H143 PolarHBondContact O-N 3.12Å; N140-H143 VanDerWaalsContact O-N 3.08Å; N140-H143 PolarHBondContact OD1-N 3.08Å; N140-H143 VanDerWaalsContact OD1-N 3.12Å; N140-S144 PolarHBondContact ND2-N 3Å; N140-S144 PolarHBondContact ND2-O 3.33Å; N140-S144 PolarHBondContact OD1-N 3.17Å; N140-S144 PolarHBondContact OD1-OG 3.16Å
141	A	92.1	Very high	93.6	Very high	19 Å²	19	117.7 Å²	117.7	16%	0.157	61%	0.612	C	S	.	*	T	Hydrogen-bonded Turn	trans	-57.4	-29.2	-179.2	0	0	0	0	0	114.1	E49 K51 P138	E49-A141 WeakPolarHBondContact O-CB 3.48Å; K51-A141 HydrophobicContact CD-CB 4.22Å; P138-A141 HydrophobicContact CB-CB 4.31Å; P138-A141 HydrophobicContact CG-CB 4.23Å
142	Y	92.1	Very high	93.5	Very high	170 Å²	170	121.5 Å²	121.5	67%	0.667	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-3.8	-178.6	-68.6	-75.9	0	0	0	113.7	K51 N140 S144	K51-Y142 HydrophobicContact CD-CD1 4.07Å; K51-Y142 HydrophobicContact CD-CD2 4.39Å; K51-Y142 HydrophobicContact CD-CE1 3.43Å; K51-Y142 VanDerWaalsContact CD-CE1 3.43Å; K51-Y142 HydrophobicContact CD-CE2 3.78Å; K51-Y142 WeakPolarHBondContact CD-OH 3.46Å; K51-Y142 WeakPolarHBondContact CE-OH 3.48Å; K51-Y142 PolarHBondContact NZ-OH 2.79Å; K51-Y142 VanDerWaalsContact NZ-OH 3.16Å; N140-Y142 PolarHBondContact O-N 2.97Å; N140-Y142 VanDerWaalsContact O-N 3.17Å; Y142-S144 PolarHBondContact O-N 3.15Å; Y142-S144 VanDerWaalsContact O-N 3.15Å
143	H	91.6	Very high	93.5	Very high	135 Å²	135	120.1 Å²	120.1	63%	0.625	63%	0.634	S	S	*	*			trans	49.6	38.5	-171	-59.2	-80.1	0	0	0	111.8	N140	N140-H143 PolarHBondContact O-N 3.12Å; N140-H143 VanDerWaalsContact O-N 3.08Å; N140-H143 PolarHBondContact OD1-N 3.08Å; N140-H143 VanDerWaalsContact OD1-N 3.12Å
144	S	93.5	Very high	93.4	Very high	74 Å²	74	126.2 Å²	126.2	52%	0.517	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-71.7	140.2	-178.2	60	0	0	0	0	110.6	N140 Y142	N140-S144 PolarHBondContact ND2-N 3Å; N140-S144 PolarHBondContact ND2-O 3.33Å; N140-S144 PolarHBondContact OD1-N 3.17Å; N140-S144 PolarHBondContact OD1-OG 3.16Å; Y142-S144 PolarHBondContact O-N 3.15Å; Y142-S144 VanDerWaalsContact O-N 3.15Å
145	R	93.4	Very high	93.3	Very high	212 Å²	212	128.2 Å²	128.2	80%	0.8	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.6	158.5	170.3	65.8	179.3	179.8	177	0.2	111.3	R147	R145-R147 PolarHBondContact O-N 3.48Å
146	P	94.8	Very high	93.2	Very high	119 Å²	119	129.3 Å²	129.3	77%	0.773	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-51.5	141.8	170.7	-23.8	33	0	0	0	111
147	R	94.9	Very high	92.9	Very high	233 Å²	233	132.1 Å²	132.1	88%	0.879	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-68.4	146.5	173.9	-67.6	-170.4	180	-140	1.6	109.2	R145	R145-R147 PolarHBondContact O-N 3.48Å
148	P	96	Very high	92.9	Very high	111 Å²	111	134.4 Å²	134.4	72%	0.721	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-57	149.5	169.4	-21.1	32.7	0	0	0	110.9
149	E	95.4	Very high	92.7	Very high	181 Å²	181	139.5 Å²	139.5	85%	0.846	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-62.2	137.7	172.4	-66.2	-177.6	176.5	0	0	109.9
150	P	95.9	Very high	92.7	Very high	121 Å²	121	135.3 Å²	135.3	79%	0.786	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-68.3	149.3	176.9	29.6	-33.8	0	0	0	110.4
151	N	95.1	Very high	92.7	Very high	146 Å²	146	135.2 Å²	135.2	78%	0.781	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-60.2	144.7	170	-68.2	-29.6	0	0	0	109.9	V153	N151-V153 PolarHBondContact O-N 3.43Å
152	P	94.5	Very high	92.5	Very high	122 Å²	122	143.1 Å²	143.1	79%	0.792	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.7	136.9	177.4	26	-34.1	0	0	0	110.3
153	V	93.4	Very high	92.2	Very high	122 Å²	122	140.8 Å²	140.8	74%	0.739	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-78	136.1	174.4	-175.1	0	0	0	0	108.3	N151 E155	N151-V153 PolarHBondContact O-N 3.43Å; V153-E155 PolarHBondContact O-N 3.16Å; V153-E155 VanDerWaalsContact O-N 3.16Å
154	I	91.1	Very high	92.1	Very high	166 Å²	166	135.4 Å²	135.4	85%	0.851	73%	0.727	S	S	*	*			trans	-76	105.1	173.9	-60	169.7	0	0	0	107.5
155	E	89.9	Confident	91.9	Very high	178 Å²	178	134.8 Å²	134.8	83%	0.832	72%	0.722	S	S	*	*			trans	-94.9	130.1	174.9	-64.1	-174.8	-179.9	0	0	110.3	V153	V153-E155 PolarHBondContact O-N 3.16Å; V153-E155 VanDerWaalsContact O-N 3.16Å
156	G	88.3	Confident	91.3	Very high	71 Å²	71	134.5 Å²	134.5	73%	0.732	72%	0.721	S	S	*	*	S	Bend	trans	137.6	159.4	178.3	0	0	0	0	0	113.1
157	Q	88.1	Confident	91.1	Very high	169 Å²	169	133 Å²	133	79%	0.79	71%	0.707	S	S	*	*			trans	-72.7	136.3	172.5	-68.5	-179.9	-5.6	0	0	109.8	Q159	Q157-Q159 PolarHBondContact O-N 2.95Å
158	L	91.7	Very high	90.8	Very high	176 Å²	176	131.1 Å²	131.1	92%	0.921	71%	0.705	S	S	*	*			trans	-65	102.7	174.5	-174.6	70.8	0	0	0	109.1
159	Q	91.4	Very high	90.2	Very high	133 Å²	133	133.3 Å²	133.3	62%	0.621	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-76.3	147.4	174.5	-61.8	-59.4	-32.4	0	0	110	Q157	Q157-Q159 PolarHBondContact O-N 2.95Å
160	P	91.9	Very high	89.2	Confident	114 Å²	114	129.2 Å²	129.2	74%	0.74	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-58.8	147.8	171.5	24.8	-32.3	0	0	0	110.5	K162	P160-K162 PolarHBondContact O-N 3.33Å
161	A	91.1	Very high	88	Confident	67 Å²	67	128.5 Å²	128.5	55%	0.554	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-61.9	129.1	179.3	0	0	0	0	0	110.7	H163 G164	A161-H163 PolarHBondContact O-N 3.3Å; A161-G164 PolarHBondContact O-N 2.96Å
162	K	87.4	Confident	86.5	Confident	186 Å²	186	132.1 Å²	132.1	81%	0.809	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-25.3	-171.7	-167.6	178.1	176.6	179.5	0	115.1	P160	P160-K162 PolarHBondContact O-N 3.33Å
163	H	87.1	Confident	86.1	Confident	121 Å²	121	132.6 Å²	132.6	56%	0.56	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	32.7	-177.7	-59.6	-64.2	0	0	0	112.6	A161 R166	A161-H163 PolarHBondContact O-N 3.3Å; H163-R166 HydrophobicContact CB-CG 3.83Å
164	G	88.3	Confident	85.7	Confident	21 Å²	21	133.2 Å²	133.2	22%	0.216	67%	0.672	C	S	.	*	T	Hydrogen-bonded Turn	trans	61.7	-139.9	-177.5	0	0	0	0	0	112.8	A161 R166 W172	A161-G164 PolarHBondContact O-N 2.96Å; G164-R166 VanDerWaalsContact C-N 3.32Å; G164-R166 PolarHBondContact O-N 2.8Å; G164-W172 WeakPolarHBondContact CA-OXT 3.26Å
165	S	89.4	Confident	85.4	Confident	61 Å²	61	131.3 Å²	131.3	43%	0.427	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-23.7	-177.8	56.1	0	0	0	0	115.2	L167 W170 W172	S165-L167 PolarHBondContact O-N 3.39Å; S165-W170 PolarHBondContact OG-O 3.28Å; S165-W172 VanDerWaalsContact CB-O 3.26Å; S165-W172 WeakPolarHBondContact CB-O 3.35Å; S165-W172 PolarHBondContact N-O 2.74Å; S165-W172 PolarHBondContact OG-O 3.46Å
166	R	82.1	Confident	85.2	Confident	206 Å²	206	128.6 Å²	128.6	78%	0.777	65%	0.652	S	S	*	*			trans	52.3	35.5	-173.4	-63.4	-177.9	-73.6	173.7	-2.9	113.2	H163 G164	H163-R166 HydrophobicContact CB-CG 3.83Å; G164-R166 VanDerWaalsContact C-N 3.32Å; G164-R166 PolarHBondContact O-N 2.8Å
167	L	90.7	Very high	85	Confident	89 Å²	89	132.2 Å²	132.2	47%	0.466	65%	0.647	S	S	.	*	B	Isolated β-bridge	trans	-108.7	110	-176	-171.5	72.1	0	0	0	111.4	S165 F169 W170	S165-L167 PolarHBondContact O-N 3.39Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 2.82Å; L167-W170 HydrophobicContact CB-CE3 4.27Å; L167-W170 HydrophobicContact CD2-CE3 3.7Å; L167-W170 HydrophobicContact CD2-CZ3 3.78Å; L167-W170 HydrophobicContact CG-CE3 3.99Å; L167-W170 HydrophobicContact CG-CZ3 4.26Å; L167-W170 PolarHBondContact O-N 3.2Å
168	F	87.6	Confident	84.8	Confident	193 Å²	193	129.7 Å²	129.7	85%	0.846	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.6	-81.1	-179.1	-65.2	-74.1	0	0	0	115
169	F	82.9	Confident	84.3	Confident	157 Å²	157	126.4 Å²	126.4	69%	0.689	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.9	-0.3	-178.8	56.9	-98.2	0	0	0	113.5	L167 S171	L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 2.82Å; F169-S171 PolarHBondContact O-N 2.89Å
170	W	74.3	Confident	83.7	Confident	94 Å²	94	125.9 Å²	125.9	36%	0.356	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-81.4	117.2	177.3	-70	-65.4	0	0	0	110.5	S165 L167 W172	S165-W170 PolarHBondContact OG-O 3.28Å; L167-W170 HydrophobicContact CB-CE3 4.27Å; L167-W170 HydrophobicContact CD2-CE3 3.7Å; L167-W170 HydrophobicContact CD2-CZ3 3.78Å; L167-W170 HydrophobicContact CG-CE3 3.99Å; L167-W170 HydrophobicContact CG-CZ3 4.26Å; L167-W170 PolarHBondContact O-N 3.2Å; W170-W172 AromaticContact CD1-CE2 3.76Å; W170-W172 AromaticContact CD1-CH2 3.28Å; W170-W172 AromaticContact CD1-CZ2 3.24Å; W170-W172 AromaticContact CD1-CZ3 3.82Å; W170-W172 HydrophobicContact CG-CH2 4.4Å; W170-W172 HydrophobicContact CG-CZ2 4.01Å; W170-W172 AromaticContact NE1-CH2 3.52Å; W170-W172 AromaticContact NE1-CZ2 3.57Å
171	S	71.4	Confident	83	Confident	106 Å²	106	126.9 Å²	126.9	74%	0.741	61%	0.607	S	S	*	*			trans	-101.1	5.1	-178.3	58	0	0	0	0	114.2	F169	F169-S171 PolarHBondContact O-N 2.89Å
172	W	64.1	Low	82.3	Confident	222 Å²	222	132.4 Å²	132.4	84%	0.841	61%	0.612	S	S	*	*			trans	-89.5	0	168.2	65.7	63	0	0	0	111.2	G164 S165 W170	G164-W172 WeakPolarHBondContact CA-OXT 3.26Å; S165-W172 VanDerWaalsContact CB-O 3.26Å; S165-W172 WeakPolarHBondContact CB-O 3.35Å; S165-W172 PolarHBondContact N-O 2.74Å; S165-W172 PolarHBondContact OG-O 3.46Å; W170-W172 AromaticContact CD1-CE2 3.76Å; W170-W172 AromaticContact CD1-CH2 3.28Å; W170-W172 AromaticContact CD1-CZ2 3.24Å; W170-W172 AromaticContact CD1-CZ3 3.82Å; W170-W172 HydrophobicContact CG-CH2 4.4Å; W170-W172 HydrophobicContact CG-CZ2 4.01Å; W170-W172 AromaticContact NE1-CH2 3.52Å; W170-W172 AromaticContact NE1-CZ2 3.57Å

Retrieved 172 of 172 residues in 217.9 ms (Link to these results)

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