A0A087YP82_POEFO Loading...

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 A0A087YP82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 aa.

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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	85.2	Confident	225 Å²	225	130.2 Å²	130.2	100%	1.108	71%	0.711	S	S	*	*				0	135.7	0	-66.2	174.8	173.9	0	0	106.6	T3	M1-T3 PolarHBondContact O-N 2.92Å
2	P	70.1	Confident	85.7	Confident	134 Å²	134	126.6 Å²	126.6	87%	0.87	69%	0.686	S	S	*	*			trans	-68.7	107.5	170.7	29.1	-26.8	0	0	0	106.4
3	T	79	Confident	86.3	Confident	128 Å²	128	123.9 Å²	123.9	79%	0.785	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-60.1	142	169.5	31.4	0	0	0	0	108.6	M1 L5	M1-T3 PolarHBondContact O-N 2.92Å; T3-L5 PolarHBondContact O-N 2.96Å
4	T	88.4	Confident	86.9	Confident	129 Å²	129	127.7 Å²	127.7	79%	0.791	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.1	136	172.7	43.8	0	0	0	0	109.6	E6	T4-E6 PolarHBondContact O-N 2.86Å
5	L	89	Confident	87.4	Confident	135 Å²	135	122.8 Å²	122.8	71%	0.707	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-69.2	119.2	-179.3	-177.6	70.2	0	0	0	109.9	T3 V7	T3-L5 PolarHBondContact O-N 2.96Å; L5-V7 HydrophobicContact CB-CG2 4.48Å; L5-V7 HydrophobicContact CD2-CG2 3.68Å; L5-V7 HydrophobicContact CG-CG2 3.76Å; L5-V7 PolarHBondContact O-N 2.75Å
6	E	89.9	Confident	87.7	Confident	160 Å²	160	123.4 Å²	123.4	75%	0.748	66%	0.658	S	S	*	*			trans	-77.8	108.8	173.2	-65.7	-179	174.1	0	0	110	T4 R54	T4-E6 PolarHBondContact O-N 2.86Å; E6-R54 VanDerWaalsContact O-CD 3.3Å; E6-R54 WeakPolarHBondContact O-CD 3.34Å; E6-R54 PolarHBondContact O-NH1 3.26Å
7	V	92.4	Very high	88.1	Confident	99 Å²	99	124.7 Å²	124.7	60%	0.6	66%	0.659	S	S	*	*			trans	-110.7	138.3	178.9	-174.5	0	0	0	0	108.3	L5	L5-V7 HydrophobicContact CB-CG2 4.48Å; L5-V7 HydrophobicContact CD2-CG2 3.68Å; L5-V7 HydrophobicContact CG-CG2 3.76Å; L5-V7 PolarHBondContact O-N 2.75Å
8	P	93.9	Very high	88.5	Confident	28 Å²	28	120 Å²	120	18%	0.182	64%	0.636	C	S	.	*			trans	-57.7	154	175.2	25.1	-36.7	0	0	0	111.8	E12 L13 I57	P8-E12 HydrophobicContact CB-CB 4.24Å; P8-E12 VanDerWaalsContact CB-OE2 3.23Å; P8-E12 WeakPolarHBondContact CB-OE2 3.42Å; P8-L13 HydrophobicContact CB-CD2 4.47Å; P8-L13 HydrophobicContact CG-CD1 4.38Å; P8-L13 HydrophobicContact CG-CD2 3.93Å; P8-L13 HydrophobicContact CG-CG 4.24Å; P8-I57 HydrophobicContact CB-CD1 4.05Å; P8-I57 HydrophobicContact CG-CD1 3.9Å
9	T	95	Very high	88.9	Confident	72 Å²	72	120.7 Å²	120.7	44%	0.442	64%	0.64	S	S	.	*			trans	-69.1	156.2	177.6	64.8	0	0	0	0	111.5	Q11 E12 L13	T9-Q11 PolarHBondContact O-N 2.05Å; T9-E12 WeakPolarHBondContact O-CB 3.43Å; T9-E12 PolarHBondContact O-N 3.33Å; T9-E12 VanDerWaalsContact OG1-CD 3.27Å; T9-E12 WeakPolarHBondContact OG1-CG 3.33Å; T9-E12 PolarHBondContact OG1-N 3.03Å; T9-E12 PolarHBondContact OG1-OE1 3.34Å; T9-L13 PolarHBondContact O-N 3.49Å
10	L	94.4	Very high	89.2	Confident	154 Å²	154	117.6 Å²	117.6	81%	0.806	63%	0.625	S	S	*	*	H	α-helix	trans	-60.2	-28.5	176.5	-65.2	178.1	0	0	0	112.7	L13 K14	L10-L13 PolarHBondContact O-N 3.38Å; L10-K14 PolarHBondContact O-N 2.87Å
11	Q	93.2	Very high	89.5	Confident	168 Å²	168	114.3 Å²	114.3	79%	0.785	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-34.7	176.5	-65.2	-179	-3.9	0	0	111.8	T9 L13 K14	T9-Q11 PolarHBondContact O-N 2.05Å; Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 3.23Å; Q11-K14 PolarHBondContact O-N 3.23Å
12	E	91.1	Very high	91.6	Very high	87 Å²	87	108.3 Å²	108.3	41%	0.407	59%	0.592	S	S	.	*	H	α-helix	trans	-69.7	-25.5	174.7	-74.6	159.5	-131.3	0	0	113.1	P8 T9 R61	P8-E12 HydrophobicContact CB-CB 4.24Å; P8-E12 VanDerWaalsContact CB-OE2 3.23Å; P8-E12 WeakPolarHBondContact CB-OE2 3.42Å; T9-E12 WeakPolarHBondContact O-CB 3.43Å; T9-E12 PolarHBondContact O-N 3.33Å; T9-E12 VanDerWaalsContact OG1-CD 3.27Å; T9-E12 WeakPolarHBondContact OG1-CG 3.33Å; T9-E12 PolarHBondContact OG1-N 3.03Å; T9-E12 PolarHBondContact OG1-OE1 3.34Å; E12-R61 VanDerWaalsContact C-NH2 3.28Å; E12-R61 PolarHBondContact O-NH2 2.89Å
13	L	93.9	Very high	92.8	Very high	92 Å²	92	102 Å²	102	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-86.9	-13.8	179.2	-63.8	176.9	0	0	0	113.3	P8 T9 L10 Q11 V15 I57	P8-L13 HydrophobicContact CB-CD2 4.47Å; P8-L13 HydrophobicContact CG-CD1 4.38Å; P8-L13 HydrophobicContact CG-CD2 3.93Å; P8-L13 HydrophobicContact CG-CG 4.24Å; T9-L13 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.38Å; Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 3.23Å; L13-V15 PolarHBondContact O-N 3.4Å; L13-I57 HydrophobicContact CD2-CD1 4.15Å
14	K	94.5	Very high	93.7	Very high	177 Å²	177	96.5 Å²	96.5	77%	0.77	52%	0.518	S	S	*	.			trans	-73.7	115.7	-178.9	-169.3	175.8	-179.8	-179.3	0	110.8	L10 Q11	L10-K14 PolarHBondContact O-N 2.87Å; Q11-K14 PolarHBondContact O-N 3.23Å
15	V	94.4	Very high	94.1	Very high	54 Å²	54	94.4 Å²	94.4	33%	0.327	50%	0.501	S	S	.	.			trans	-141.6	154	176.8	-161.4	0	0	0	0	108.9	L13 E17 R61 N64	L13-V15 PolarHBondContact O-N 3.4Å; V15-E17 PolarHBondContact O-N 3.03Å; V15-R61 HydrophobicContact CG1-CG 4.29Å; V15-R61 HydrophobicContact CG2-CG 3.79Å; V15-N64 HydrophobicContact CG1-CB 4.23Å; V15-N64 WeakPolarHBondContact CG1-ND2 3.03Å
16	D	92.9	Very high	94.5	Very high	133 Å²	133	92.1 Å²	92.1	71%	0.711	49%	0.485	S	S	*	.			trans	-68	116.6	176.5	-68.2	-18.7	0	0	0	111.3	N64	D16-N64 PolarHBondContact O-ND2 2.83Å; D16-N64 PolarHBondContact O-OD1 2.73Å
17	E	94.3	Very high	94.8	Very high	145 Å²	145	84.7 Å²	84.7	68%	0.678	45%	0.451	S	S	*	.			trans	-79.7	145.6	-173.5	-62.6	-178.9	165.3	0	0	113.3	V15 N19	V15-E17 PolarHBondContact O-N 3.03Å; E17-N19 WeakPolarHBondContact CB-OD1 3.31Å; E17-N19 PolarHBondContact O-N 2.9Å; E17-N19 VanDerWaalsContact O-N 3.13Å; E17-N19 PolarHBondContact OE2-OD1 3.11Å
18	V	95.4	Very high	95.1	Very high	40 Å²	40	80 Å²	80	24%	0.242	42%	0.422	C	S	.	.			trans	-85	83.3	171.5	180	0	0	0	0	108.8	V20 L25 N64 A67 V68 F71	V18-V20 HydrophobicContact CG1-CG2 3.95Å; V18-V20 PolarHBondContact O-N 3.43Å; V18-L25 HydrophobicContact CG1-CD2 4.36Å; V18-N64 VanDerWaalsContact CG2-OD1 3.32Å; V18-N64 WeakPolarHBondContact CG2-OD1 3.45Å; V18-A67 HydrophobicContact CG2-CB 3.79Å; V18-V68 HydrophobicContact CG2-CG2 3.72Å; V18-F71 HydrophobicContact CG1-CD2 3.84Å; V18-F71 HydrophobicContact CG1-CE2 3.83Å
19	N	94.9	Very high	95.2	Very high	133 Å²	133	80.7 Å²	80.7	71%	0.711	43%	0.431	S	S	*	.			trans	-81.7	76	-175.4	-69.2	-24.7	0	0	0	112.2	E17	E17-N19 WeakPolarHBondContact CB-OD1 3.31Å; E17-N19 PolarHBondContact O-N 2.9Å; E17-N19 VanDerWaalsContact O-N 3.13Å; E17-N19 PolarHBondContact OE2-OD1 3.11Å
20	V	95.9	Very high	95.3	Very high	58 Å²	58	79.4 Å²	79.4	35%	0.352	42%	0.42	S	S	.	.			trans	-135.8	158.5	176.3	-56.9	0	0	0	0	111.1	V18 V24 L25	V18-V20 HydrophobicContact CG1-CG2 3.95Å; V18-V20 PolarHBondContact O-N 3.43Å; V20-V24 HydrophobicContact CB-CB 4Å; V20-V24 HydrophobicContact CB-CG1 3.84Å; V20-V24 HydrophobicContact CB-CG2 4.49Å; V20-V24 HydrophobicContact CG1-CG1 4.2Å; V20-V24 HydrophobicContact CG2-CB 4.16Å; V20-V24 HydrophobicContact CG2-CG1 3.97Å; V20-L25 HydrophobicContact CG2-CD2 3.53Å; V20-L25 HydrophobicContact CG2-CG 3.73Å
21	S	95.2	Very high	95.5	Very high	50 Å²	50	72.1 Å²	72.1	35%	0.35	38%	0.382	S	S	.	.			trans	-71.7	162.9	177.7	67.6	0	0	0	0	112.3	A23 V24 L25	S21-A23 VanDerWaalsContact C-N 3.26Å; S21-A23 PolarHBondContact O-N 3.26Å; S21-V24 WeakPolarHBondContact O-CB 3.35Å; S21-V24 PolarHBondContact O-N 2.94Å; S21-V24 WeakPolarHBondContact OG-CG2 3.32Å; S21-L25 PolarHBondContact O-N 3.36Å
22	S	95.4	Very high	95.7	Very high	98 Å²	98	66.5 Å²	66.5	69%	0.685	35%	0.354	S	S	*	.	H	α-helix	trans	-61.8	-33.5	177.7	58.3	0	0	0	0	112.7	V24 L25 K26	S22-V24 VanDerWaalsContact C-N 3.35Å; S22-L25 PolarHBondContact O-N 2.89Å; S22-K26 WeakPolarHBondContact O-CB 3.18Å; S22-K26 PolarHBondContact O-N 3.48Å
23	A	96.1	Very high	96	Very high	2 Å²	2	63.2 Å²	63.2	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-41.4	175.5	0	0	0	0	0	111.9	S21 K26 A27 D90	S21-A23 VanDerWaalsContact C-N 3.26Å; S21-A23 PolarHBondContact O-N 3.26Å; A23-K26 PolarHBondContact O-N 2.98Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.25Å; A23-D90 HydrophobicContact CB-CB 3.68Å; A23-D90 VanDerWaalsContact CB-OD1 3.26Å; A23-D90 WeakPolarHBondContact CB-OD1 3.38Å
24	V	97.1	Very high	96.1	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-47.1	176	176.2	0	0	0	0	110.9	V20 S21 S22 K26 A27 A28 F71 F82 W86	V20-V24 HydrophobicContact CB-CB 4Å; V20-V24 HydrophobicContact CB-CG1 3.84Å; V20-V24 HydrophobicContact CB-CG2 4.49Å; V20-V24 HydrophobicContact CG1-CG1 4.2Å; V20-V24 HydrophobicContact CG2-CB 4.16Å; V20-V24 HydrophobicContact CG2-CG1 3.97Å; S21-V24 WeakPolarHBondContact O-CB 3.35Å; S21-V24 PolarHBondContact O-N 2.94Å; S21-V24 WeakPolarHBondContact OG-CG2 3.32Å; S22-V24 VanDerWaalsContact C-N 3.35Å; V24-K26 VanDerWaalsContact C-N 3.32Å; V24-K26 PolarHBondContact O-N 3.33Å; V24-A27 PolarHBondContact O-N 3.01Å; V24-A28 PolarHBondContact O-N 3.18Å; V24-A28 VanDerWaalsContact O-N 3.13Å; V24-F71 HydrophobicContact CG1-CE1 3.89Å; V24-F71 HydrophobicContact CG1-CZ 4.43Å; V24-F82 HydrophobicContact CG1-CE1 3.75Å; V24-F82 HydrophobicContact CG1-CZ 3.74Å; V24-W86 HydrophobicContact CG2-CB 4.23Å; V24-W86 HydrophobicContact CG2-CD2 3.56Å; V24-W86 HydrophobicContact CG2-CE3 3.91Å; V24-W86 HydrophobicContact CG2-CG 3.69Å
25	L	97.3	Very high	96.2	Very high	84 Å²	84	56.1 Å²	56.1	44%	0.44	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-42.4	176.4	-65.5	177.7	0	0	0	111.4	V18 V20 S21 S22 A28 A29 F71	V18-L25 HydrophobicContact CG1-CD2 4.36Å; V20-L25 HydrophobicContact CG2-CD2 3.53Å; V20-L25 HydrophobicContact CG2-CG 3.73Å; S21-L25 PolarHBondContact O-N 3.36Å; S22-L25 PolarHBondContact O-N 2.89Å; L25-A28 PolarHBondContact O-N 3.35Å; L25-A29 WeakPolarHBondContact O-CA 3.49Å; L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 3.19Å; L25-F71 HydrophobicContact CD2-CE2 3.81Å; L25-F71 HydrophobicContact CD2-CZ 3.75Å
26	K	96.8	Very high	96.4	Very high	88 Å²	88	53.7 Å²	53.7	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-67.7	-40	-179.2	-169.8	171.7	-173	176.3	0	112.4	S22 A23 V24 A28 A29 L94 A95	S22-K26 WeakPolarHBondContact O-CB 3.18Å; S22-K26 PolarHBondContact O-N 3.48Å; A23-K26 PolarHBondContact O-N 2.98Å; V24-K26 VanDerWaalsContact C-N 3.32Å; V24-K26 PolarHBondContact O-N 3.33Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A29 WeakPolarHBondContact O-CB 3.38Å; K26-A29 PolarHBondContact O-N 3.24Å; K26-L94 PolarHBondContact NZ-O 3.19Å; K26-L94 VanDerWaalsContact NZ-O 3.13Å; K26-A95 HydrophobicContact CD-CB 3.72Å; K26-A95 WeakPolarHBondContact CE-O 3.11Å; K26-A95 PolarHBondContact NZ-O 2.97Å
27	A	97.1	Very high	96.5	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-46.2	174.6	0	0	0	0	0	111.1	A23 V24 F82 Y85 W86 L89	A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.25Å; V24-A27 PolarHBondContact O-N 3.01Å; A27-F82 HydrophobicContact CB-CE2 3.89Å; A27-F82 HydrophobicContact CB-CZ 4.4Å; A27-Y85 HydrophobicContact CB-CD1 3.73Å; A27-Y85 HydrophobicContact CB-CE1 3.66Å; A27-Y85 WeakPolarHBondContact O-CE1 3.39Å; A27-W86 HydrophobicContact CB-CB 3.7Å; A27-L89 HydrophobicContact CB-CD1 3.73Å
28	A	97.3	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-83.9	-9.5	-177.4	0	0	0	0	0	114.6	V24 L25 K26 H30 H31 Y32 F70 F71 I74 F82	V24-A28 PolarHBondContact O-N 3.18Å; V24-A28 VanDerWaalsContact O-N 3.13Å; L25-A28 PolarHBondContact O-N 3.35Å; K26-A28 VanDerWaalsContact C-N 3.33Å; A28-H30 VanDerWaalsContact C-N 3.29Å; A28-H30 PolarHBondContact O-N 3.39Å; A28-H30 VanDerWaalsContact O-N 3.1Å; A28-H31 PolarHBondContact O-N 3.02Å; A28-H31 VanDerWaalsContact O-N 3.09Å; A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 PolarHBondContact O-N 3.48Å; A28-F70 HydrophobicContact CB-CE1 3.73Å; A28-F70 HydrophobicContact CB-CZ 4Å; A28-F71 HydrophobicContact CB-CE1 3.87Å; A28-F71 HydrophobicContact CB-CZ 4.09Å; A28-I74 HydrophobicContact CB-CD1 4.44Å; A28-F82 HydrophobicContact CB-CE2 3.88Å; A28-F82 HydrophobicContact CB-CZ 3.91Å
29	A	97.6	Very high	96.7	Very high	43 Å²	43	49.4 Å²	49.4	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-53.6	-38.7	-167.4	0	0	0	0	0	114.7	L25 K26 G33	L25-A29 WeakPolarHBondContact O-CA 3.49Å; L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 3.19Å; K26-A29 WeakPolarHBondContact O-CB 3.38Å; K26-A29 PolarHBondContact O-N 3.24Å; A29-G33 PolarHBondContact O-N 3.02Å
30	H	97.3	Very high	96.9	Very high	45 Å²	45	44.5 Å²	44.5	21%	0.208	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-42.8	-178.5	-64	82.9	0	0	0	111.9	A28 S34 R119 P120	A28-H30 VanDerWaalsContact C-N 3.29Å; A28-H30 PolarHBondContact O-N 3.39Å; A28-H30 VanDerWaalsContact O-N 3.1Å; H30-S34 PolarHBondContact O-N 3.19Å; H30-R119 HydrophobicContact CB-CG 4.07Å; H30-R119 PolarHBondContact CD2-NH2 3.13Å; H30-R119 PolarHBondContact CE1-NH2 3.04Å; H30-R119 PolarHBondContact NE2-NH2 2.67Å; H30-P120 WeakPolarHBondContact O-CD 3.3Å; H30-P120 WeakPolarHBondContact O-CG 3.49Å
31	H	97.8	Very high	96.9	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-72.2	-42.4	176	-70.5	-70.3	0	0	0	111	A28 G33 S34 Q35 F70 F107 D108	A28-H31 PolarHBondContact O-N 3.02Å; A28-H31 VanDerWaalsContact O-N 3.09Å; H31-G33 VanDerWaalsContact C-N 3.3Å; H31-G33 PolarHBondContact O-N 3.49Å; H31-S34 PolarHBondContact O-N 3.01Å; H31-S34 PolarHBondContact O-OG 3.34Å; H31-Q35 WeakPolarHBondContact O-CG 3.46Å; H31-Q35 PolarHBondContact O-N 2.86Å; H31-F70 HydrophobicContact CB-CE2 4.02Å; H31-F70 HydrophobicContact CB-CZ 3.98Å; H31-F107 AromaticContact CD2-CE1 3.59Å; H31-D108 IonicContact CD2-OD1 3.79Å; H31-D108 IonicContact CE1-OD1 3.31Å; H31-D108 IonicContact NE2-OD1 3.04Å; H31-D108 PolarHBondContact NE2-OD1 3.35Å
32	Y	98	Very high	97	Very high	50 Å²	50	43.7 Å²	43.7	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-43.5	175.6	176.7	-105.1	0	0	0	111.9	A28 S34 Q35 C36 N40 A67 F70	A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 PolarHBondContact O-N 3.48Å; Y32-S34 VanDerWaalsContact C-N 3.28Å; Y32-S34 PolarHBondContact O-N 3.45Å; Y32-Q35 PolarHBondContact O-N 3.3Å; Y32-C36 HydrophobicContact CD2-CB 3.92Å; Y32-C36 HydrophobicContact CE2-CB 3.52Å; Y32-C36 VanDerWaalsContact CE2-SG 3.55Å; Y32-C36 WeakPolarHBondContact O-CB 3.38Å; Y32-C36 PolarHBondContact O-N 2.93Å; Y32-N40 WeakPolarHBondContact CE1-ND2 3.46Å; Y32-N40 VanDerWaalsContact CZ-ND2 3.27Å; Y32-N40 PolarHBondContact OH-ND2 3.04Å; Y32-N40 PolarHBondContact OH-OD1 2.66Å; Y32-N40 VanDerWaalsContact OH-OD1 3.07Å; Y32-A67 HydrophobicContact CE2-CB 3.76Å; Y32-F70 HydrophobicContact CD2-CB 4.49Å; Y32-F70 AromaticContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CE1 4.24Å; Y32-F70 HydrophobicContact CD2-CG 4.09Å
33	G	96.9	Very high	97.2	Very high	18 Å²	18	40.9 Å²	40.9	19%	0.186	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-30.9	179	0	0	0	0	0	113.9	A29 H31 D37	A29-G33 PolarHBondContact O-N 3.02Å; H31-G33 VanDerWaalsContact C-N 3.3Å; H31-G33 PolarHBondContact O-N 3.49Å; G33-D37 WeakPolarHBondContact O-CB 3.47Å
34	S	96.1	Very high	97.2	Very high	40 Å²	40	44.7 Å²	44.7	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-83.1	-45.4	175.1	55.5	0	0	0	0	112.7	H30 H31 Y32	H30-S34 PolarHBondContact O-N 3.19Å; H31-S34 PolarHBondContact O-N 3.01Å; H31-S34 PolarHBondContact O-OG 3.34Å; Y32-S34 VanDerWaalsContact C-N 3.28Å; Y32-S34 PolarHBondContact O-N 3.45Å
35	Q	96.9	Very high	97.2	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-74.7	-37.6	-173.8	-60.1	-49.2	-50.3	0	0	112.8	H31 Y32 F70 W117	H31-Q35 WeakPolarHBondContact O-CG 3.46Å; H31-Q35 PolarHBondContact O-N 2.86Å; Y32-Q35 PolarHBondContact O-N 3.3Å; Q35-F70 HydrophobicContact CB-CD2 4.2Å; Q35-F70 HydrophobicContact CB-CE2 4.44Å; Q35-F70 HydrophobicContact CG-CD2 4.48Å; Q35-F70 HydrophobicContact CG-CE2 4.36Å; Q35-W117 HydrophobicContact CG-CD2 3.67Å; Q35-W117 HydrophobicContact CG-CE3 3.88Å; Q35-W117 HydrophobicContact CG-CG 4.11Å; Q35-W117 HydrophobicContact CG-CH2 4.23Å; Q35-W117 HydrophobicContact CG-CZ2 4.02Å; Q35-W117 HydrophobicContact CG-CZ3 4.17Å
36	C	97.3	Very high	97.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	21.8	-179.6	-72.7	0	0	0	0	113	Y32 K38 P39 N40 C66	Y32-C36 HydrophobicContact CD2-CB 3.92Å; Y32-C36 HydrophobicContact CE2-CB 3.52Å; Y32-C36 VanDerWaalsContact CE2-SG 3.55Å; Y32-C36 WeakPolarHBondContact O-CB 3.38Å; Y32-C36 PolarHBondContact O-N 2.93Å; C36-K38 PolarHBondContact O-N 3.41Å; C36-P39 WeakPolarHBondContact O-CD 3.4Å; C36-N40 WeakPolarHBondContact CB-ND2 3.46Å; C36-N40 WeakPolarHBondContact O-CB 3.31Å; C36-N40 PolarHBondContact O-N 3.16Å; C36-N40 PolarHBondContact O-ND2 3.08Å; C36-C66 VanDerWaalsContact CA-SG 3.51Å; C36-C66 HydrophobicContact CB-CB 4.03Å; C36-C66 WeakPolarHBondContact CB-SG 3.44Å; C36-C66 VanDerWaalsContact SG-C 3.54Å; C36-C66 WeakPolarHBondContact SG-CB 3.45Å; C36-C66 PolarHBondContact SG-O 3.33Å; C36-C66 CovalentContact SG-SG 2.05Å; C36-C66 PolarHBondContact SG-SG 3.18Å
37	D	96.6	Very high	97.2	Very high	52 Å²	52	44.8 Å²	44.8	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-48.6	-174.9	-167.7	45.8	0	0	0	112.2	G33 N40 K41	G33-D37 WeakPolarHBondContact O-CB 3.47Å; D37-N40 PolarHBondContact O-N 2.97Å; D37-K41 WeakPolarHBondContact O-CB 3.03Å; D37-K41 WeakPolarHBondContact O-CG 3.35Å; D37-K41 PolarHBondContact O-N 3.43Å; D37-K41 WeakPolarHBondContact OD1-CE 3.46Å; D37-K41 WeakPolarHBondContact OD1-CG 3.33Å; D37-K41 IonicContact OD1-NZ 3.71Å; D37-K41 PolarHBondContact OD1-NZ 2.05Å; D37-K41 IonicContact OD2-NZ 2.76Å
38	K	96.4	Very high	97.2	Very high	151 Å²	151	53 Å²	53	66%	0.657	25%	0.253	S	S	*	.	H	α-helix	trans	-55	-60.5	-175	-178.5	177.3	180	-178	0	113.9	C36 N40 K41 E42	C36-K38 PolarHBondContact O-N 3.41Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 3.43Å; K38-K41 PolarHBondContact O-N 3.08Å; K38-E42 WeakPolarHBondContact CE-OE1 3.14Å; K38-E42 WeakPolarHBondContact CG-OE1 3.46Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 WeakPolarHBondContact O-CG 3.22Å; K38-E42 PolarHBondContact O-N 3.41Å
39	P	97.4	Very high	97.1	Very high	26 Å²	26	55.2 Å²	55.2	17%	0.169	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-35.7	-179.7	25	-34.4	0	0	0	112.5	C36 F43 K62 V63 C66	C36-P39 WeakPolarHBondContact O-CD 3.4Å; P39-F43 WeakPolarHBondContact O-CB 3.16Å; P39-F43 PolarHBondContact O-N 3.3Å; P39-K62 HydrophobicContact CB-CB 4.34Å; P39-V63 HydrophobicContact CB-CG2 4.42Å; P39-V63 WeakPolarHBondContact O-CG2 3.49Å; P39-C66 HydrophobicContact CG-CB 3.89Å
40	N	97.6	Very high	96.9	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.16	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-46.9	177.9	-77.8	-52.8	0	0	0	111.7	Y32 C36 D37 K38 F43 M44 V63	Y32-N40 WeakPolarHBondContact CE1-ND2 3.46Å; Y32-N40 VanDerWaalsContact CZ-ND2 3.27Å; Y32-N40 PolarHBondContact OH-ND2 3.04Å; Y32-N40 PolarHBondContact OH-OD1 2.66Å; Y32-N40 VanDerWaalsContact OH-OD1 3.07Å; C36-N40 WeakPolarHBondContact CB-ND2 3.46Å; C36-N40 WeakPolarHBondContact O-CB 3.31Å; C36-N40 PolarHBondContact O-N 3.16Å; C36-N40 PolarHBondContact O-ND2 3.08Å; D37-N40 PolarHBondContact O-N 2.97Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 3.43Å; N40-F43 PolarHBondContact O-N 3.25Å; N40-M44 WeakPolarHBondContact O-CB 3.32Å; N40-M44 VanDerWaalsContact O-CG 3.24Å; N40-M44 WeakPolarHBondContact O-CG 3.24Å; N40-M44 PolarHBondContact O-N 2.96Å; N40-V63 WeakPolarHBondContact OD1-CG1 3.43Å
41	K	97.8	Very high	96.9	Very high	51 Å²	51	56.3 Å²	56.3	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-35.3	-178.5	-64.1	-69.6	-176.5	57.8	0	112	D37 K38 M44 L45 T129 V131	D37-K41 WeakPolarHBondContact O-CB 3.03Å; D37-K41 WeakPolarHBondContact O-CG 3.35Å; D37-K41 PolarHBondContact O-N 3.43Å; D37-K41 WeakPolarHBondContact OD1-CE 3.46Å; D37-K41 WeakPolarHBondContact OD1-CG 3.33Å; D37-K41 IonicContact OD1-NZ 3.71Å; D37-K41 PolarHBondContact OD1-NZ 2.05Å; D37-K41 IonicContact OD2-NZ 2.76Å; K38-K41 PolarHBondContact O-N 3.08Å; K41-M44 PolarHBondContact O-N 2.97Å; K41-L45 WeakPolarHBondContact O-CB 3.17Å; K41-L45 PolarHBondContact O-N 2.95Å; K41-T129 PolarHBondContact NZ-OG1 2.76Å; K41-T129 VanDerWaalsContact NZ-OG1 3.08Å; K41-V131 HydrophobicContact CB-CG2 3.64Å
42	E	97.3	Very high	96.7	Very high	39 Å²	39	57.3 Å²	57.3	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-46.9	170.4	-75	176.1	-165	0	0	111.7	K38 L45 C46 V131 T133	K38-E42 WeakPolarHBondContact CE-OE1 3.14Å; K38-E42 WeakPolarHBondContact CG-OE1 3.46Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 WeakPolarHBondContact O-CG 3.22Å; K38-E42 PolarHBondContact O-N 3.41Å; E42-L45 PolarHBondContact O-N 3.46Å; E42-C46 PolarHBondContact O-N 2.81Å; E42-V131 HydrophobicContact CB-CG1 4.28Å; E42-V131 HydrophobicContact CG-CG1 3.42Å; E42-V131 VanDerWaalsContact CG-CG1 3.42Å; E42-T133 HydrophobicContact CG-CG2 4.35Å
43	F	97.8	Very high	96.5	Very high	40 Å²	40	59 Å²	59	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-46.3	175.7	169.9	-105.5	0	0	0	112.3	P39 N40 L45 C46 R47 C56 E59 V63	P39-F43 WeakPolarHBondContact O-CB 3.16Å; P39-F43 PolarHBondContact O-N 3.3Å; N40-F43 PolarHBondContact O-N 3.25Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.43Å; F43-C46 WeakPolarHBondContact O-CB 3.42Å; F43-C46 PolarHBondContact O-N 2.96Å; F43-R47 WeakPolarHBondContact O-CB 3.39Å; F43-R47 PolarHBondContact O-N 3.26Å; F43-C56 HydrophobicContact CD2-CB 4.32Å; F43-C56 HydrophobicContact CE2-CB 4.2Å; F43-E59 HydrophobicContact CB-CB 3.95Å; F43-E59 HydrophobicContact CD2-CB 3.96Å; F43-E59 HydrophobicContact CG-CB 4.47Å; F43-V63 HydrophobicContact CB-CG2 3.67Å; F43-V63 HydrophobicContact CD1-CG2 4.4Å; F43-V63 HydrophobicContact CG-CG2 4.12Å
44	M	97.5	Very high	96.3	Very high	82 Å²	82	62.7 Å²	62.7	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-42.5	178.9	-70.5	-58.1	-68.1	0	0	110.9	N40 K41 C46 R47 W48	N40-M44 WeakPolarHBondContact O-CB 3.32Å; N40-M44 VanDerWaalsContact O-CG 3.24Å; N40-M44 WeakPolarHBondContact O-CG 3.24Å; N40-M44 PolarHBondContact O-N 2.96Å; K41-M44 PolarHBondContact O-N 2.97Å; M44-C46 PolarHBondContact O-N 3.49Å; M44-R47 PolarHBondContact O-N 3.43Å; M44-W48 WeakPolarHBondContact O-CB 3.4Å; M44-W48 PolarHBondContact O-N 3.48Å
45	L	96.9	Very high	96.2	Very high	48 Å²	48	65.6 Å²	65.6	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.9	-172.3	69.3	0	0	0	111.2	K41 E42 F43 R47 W48 E49 V131 T133	K41-L45 WeakPolarHBondContact O-CB 3.17Å; K41-L45 PolarHBondContact O-N 2.95Å; E42-L45 PolarHBondContact O-N 3.46Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.43Å; L45-R47 PolarHBondContact O-N 3.15Å; L45-W48 PolarHBondContact O-N 3.33Å; L45-E49 HydrophobicContact CD1-CG 4.23Å; L45-E49 VanDerWaalsContact CD1-OE1 3.29Å; L45-E49 WeakPolarHBondContact CD1-OE1 3.38Å; L45-E49 HydrophobicContact CG-CG 4.37Å; L45-E49 WeakPolarHBondContact CG-OE1 3.48Å; L45-E49 WeakPolarHBondContact O-CB 3.36Å; L45-E49 WeakPolarHBondContact O-CG 3.17Å; L45-E49 PolarHBondContact O-N 3.3Å; L45-V131 HydrophobicContact CD2-CB 4.05Å; L45-V131 HydrophobicContact CD2-CG1 4.45Å; L45-T133 HydrophobicContact CD2-CG2 3.95Å
46	C	96.9	Very high	96.1	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-52.2	176	-175.7	0	0	0	0	111.6	E42 F43 M44 W48 E49 E50 C56 R135	E42-C46 PolarHBondContact O-N 2.81Å; F43-C46 WeakPolarHBondContact O-CB 3.42Å; F43-C46 PolarHBondContact O-N 2.96Å; M44-C46 PolarHBondContact O-N 3.49Å; C46-W48 VanDerWaalsContact C-N 3.28Å; C46-W48 PolarHBondContact O-N 2.99Å; C46-E49 PolarHBondContact O-N 2.99Å; C46-E50 WeakPolarHBondContact O-CB 3.19Å; C46-E50 PolarHBondContact O-N 3.21Å; C46-C56 HydrophobicContact CB-CB 3.92Å; C46-C56 WeakPolarHBondContact CB-SG 3.38Å; C46-C56 PolarHBondContact O-SG 3.5Å; C46-C56 WeakPolarHBondContact SG-CB 3.33Å; C46-C56 CovalentContact SG-SG 2.05Å; C46-C56 PolarHBondContact SG-SG 3.5Å; C46-R135 VanDerWaalsContact CA-NH2 3.25Å
47	R	96.9	Very high	96	Very high	135 Å²	135	63.6 Å²	63.6	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-37.4	-177.8	-174.7	175.1	179.5	153.2	1.4	112.4	F43 M44 L45 K51 C56	F43-R47 WeakPolarHBondContact O-CB 3.39Å; F43-R47 PolarHBondContact O-N 3.26Å; M44-R47 PolarHBondContact O-N 3.43Å; L45-R47 PolarHBondContact O-N 3.15Å; R47-K51 WeakPolarHBondContact O-CA 3.36Å; R47-K51 PolarHBondContact O-N 3.19Å; R47-K51 VanDerWaalsContact O-N 3.14Å; R47-C56 PolarHBondContact N-SG 3.31Å
48	W	96.3	Very high	95.9	Very high	177 Å²	177	68.1 Å²	68.1	67%	0.67	31%	0.309	S	S	*	.	H	α-helix	trans	-75.1	-37	-179.4	-86.9	108.9	0	0	0	113.7	M44 L45 C46 K51	M44-W48 WeakPolarHBondContact O-CB 3.4Å; M44-W48 PolarHBondContact O-N 3.48Å; L45-W48 PolarHBondContact O-N 3.33Å; C46-W48 VanDerWaalsContact C-N 3.28Å; C46-W48 PolarHBondContact O-N 2.99Å; W48-K51 WeakPolarHBondContact O-CG 3.38Å; W48-K51 PolarHBondContact O-NZ 2.9Å
49	E	95.8	Very high	95.9	Very high	46 Å²	46	62.6 Å²	62.6	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-77.1	-53.7	178.4	-72.3	177.5	176.2	0	0	111.9	L45 C46 R135 L137 P138 P141	L45-E49 HydrophobicContact CD1-CG 4.23Å; L45-E49 VanDerWaalsContact CD1-OE1 3.29Å; L45-E49 WeakPolarHBondContact CD1-OE1 3.38Å; L45-E49 HydrophobicContact CG-CG 4.37Å; L45-E49 WeakPolarHBondContact CG-OE1 3.48Å; L45-E49 WeakPolarHBondContact O-CB 3.36Å; L45-E49 WeakPolarHBondContact O-CG 3.17Å; L45-E49 PolarHBondContact O-N 3.3Å; C46-E49 PolarHBondContact O-N 2.99Å; E49-R135 IonicContact OE2-CZ 3.55Å; E49-R135 IonicContact OE2-NH1 3.37Å; E49-R135 PolarHBondContact OE2-NH1 2.97Å; E49-R135 IonicContact OE2-NH2 2.69Å; E49-R135 PolarHBondContact OE2-NH2 3.46Å; E49-L137 HydrophobicContact CG-CD1 4.18Å; E49-P138 HydrophobicContact CB-CG 4.12Å; E49-P138 WeakPolarHBondContact O-CG 3.4Å; E49-P141 VanDerWaalsContact O-CB 3.23Å; E49-P141 WeakPolarHBondContact O-CB 3.39Å
50	E	94.6	Very high	95.8	Very high	24 Å²	24	62.4 Å²	62.4	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-73.1	-30.2	-176.7	-71.5	-65.6	155	0	0	112.9	C46 D52 K55	C46-E50 WeakPolarHBondContact O-CB 3.19Å; C46-E50 PolarHBondContact O-N 3.21Å; E50-D52 PolarHBondContact O-N 2.86Å; E50-K55 HydrophobicContact CB-CD 4.27Å; E50-K55 HydrophobicContact CG-CB 4.48Å; E50-K55 HydrophobicContact CG-CD 4.24Å; E50-K55 WeakPolarHBondContact OE2-CD 3.36Å; E50-K55 IonicContact OE2-NZ 3.15Å; E50-K55 PolarHBondContact OE2-NZ 3.44Å
51	K	95.4	Very high	95.8	Very high	87 Å²	87	65.8 Å²	65.8	38%	0.378	30%	0.299	S	S	.	.			trans	57.6	12	-178.6	-55.1	179.2	-168.4	-65.7	0	115	R47 W48 P141 Y142	R47-K51 WeakPolarHBondContact O-CA 3.36Å; R47-K51 PolarHBondContact O-N 3.19Å; R47-K51 VanDerWaalsContact O-N 3.14Å; W48-K51 WeakPolarHBondContact O-CG 3.38Å; W48-K51 PolarHBondContact O-NZ 2.9Å; K51-P141 HydrophobicContact CD-CB 4.27Å; K51-Y142 HydrophobicContact CD-CD1 4.05Å; K51-Y142 HydrophobicContact CD-CD2 4.48Å; K51-Y142 HydrophobicContact CD-CE1 3.39Å; K51-Y142 HydrophobicContact CD-CE2 3.86Å; K51-Y142 WeakPolarHBondContact CD-OH 3.08Å; K51-Y142 WeakPolarHBondContact CE-OH 3.42Å; K51-Y142 PolarHBondContact NZ-OH 2.98Å
52	D	93.4	Very high	95.7	Very high	22 Å²	22	68.5 Å²	68.5	12%	0.118	31%	0.311	C	S	.	.			trans	-124.1	115.7	174.8	-173.1	-14.4	0	0	0	109.3	E50 R54 K55	E50-D52 PolarHBondContact O-N 2.86Å; D52-R54 PolarHBondContact O-N 2.93Å; D52-R54 WeakPolarHBondContact OD1-CB 3.45Å; D52-R54 WeakPolarHBondContact OD1-CG 3.44Å; D52-R54 IonicContact OD1-CZ 3.13Å; D52-R54 PolarHBondContact OD1-N 3.43Å; D52-R54 IonicContact OD1-NE 3.84Å; D52-R54 PolarHBondContact OD1-NE 2.99Å; D52-R54 IonicContact OD1-NH2 3.75Å; D52-R54 IonicContact OD2-CZ 2.69Å; D52-R54 VanDerWaalsContact OD2-CZ 3.31Å; D52-R54 IonicContact OD2-NE 2.73Å; D52-R54 PolarHBondContact OD2-NE 3.4Å; D52-R54 VanDerWaalsContact OD2-NE 3.15Å; D52-R54 IonicContact OD2-NH2 2.69Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å; D52-K55 HydrophobicContact CB-CD 4.33Å; D52-K55 HydrophobicContact CB-CG 4.41Å; D52-K55 PolarHBondContact O-N 2.71Å
53	P	94	Very high	95.7	Very high	85 Å²	85	67.7 Å²	67.7	55%	0.552	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.8	-178.7	26.8	-34.9	0	0	0	113	K55 C56	P53-K55 VanDerWaalsContact C-N 3.28Å; P53-K55 PolarHBondContact O-N 3Å; P53-C56 PolarHBondContact O-N 3.05Å
54	R	93.8	Very high	95.7	Very high	97 Å²	97	67.5 Å²	67.5	37%	0.366	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.2	-33.1	-176.8	-62.3	172.6	-69	178.1	4.2	112.3	E6 D52 I57	E6-R54 VanDerWaalsContact O-CD 3.3Å; E6-R54 WeakPolarHBondContact O-CD 3.34Å; E6-R54 PolarHBondContact O-NH1 3.26Å; D52-R54 PolarHBondContact O-N 2.93Å; D52-R54 WeakPolarHBondContact OD1-CB 3.45Å; D52-R54 WeakPolarHBondContact OD1-CG 3.44Å; D52-R54 IonicContact OD1-CZ 3.13Å; D52-R54 PolarHBondContact OD1-N 3.43Å; D52-R54 IonicContact OD1-NE 3.84Å; D52-R54 PolarHBondContact OD1-NE 2.99Å; D52-R54 IonicContact OD1-NH2 3.75Å; D52-R54 IonicContact OD2-CZ 2.69Å; D52-R54 VanDerWaalsContact OD2-CZ 3.31Å; D52-R54 IonicContact OD2-NE 2.73Å; D52-R54 PolarHBondContact OD2-NE 3.4Å; D52-R54 VanDerWaalsContact OD2-NE 3.15Å; D52-R54 IonicContact OD2-NH2 2.69Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å; R54-I57 WeakPolarHBondContact O-CD1 3.21Å; R54-I57 WeakPolarHBondContact O-CG1 3.41Å
55	K	93.3	Very high	95.6	Very high	100 Å²	100	69.4 Å²	69.4	44%	0.435	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-76.3	-23.8	-179.3	-65.5	179.7	177.6	171.7	0	113.4	E50 D52 P53	E50-K55 HydrophobicContact CB-CD 4.27Å; E50-K55 HydrophobicContact CG-CB 4.48Å; E50-K55 HydrophobicContact CG-CD 4.24Å; E50-K55 WeakPolarHBondContact OE2-CD 3.36Å; E50-K55 IonicContact OE2-NZ 3.15Å; E50-K55 PolarHBondContact OE2-NZ 3.44Å; D52-K55 HydrophobicContact CB-CD 4.33Å; D52-K55 HydrophobicContact CB-CG 4.41Å; D52-K55 PolarHBondContact O-N 2.71Å; P53-K55 VanDerWaalsContact C-N 3.28Å; P53-K55 PolarHBondContact O-N 3Å
56	C	95.8	Very high	95.7	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-104.1	18.7	-174.3	-56.2	0	0	0	0	113.5	F43 C46 R47 P53 Q58 E59 G60	F43-C56 HydrophobicContact CD2-CB 4.32Å; F43-C56 HydrophobicContact CE2-CB 4.2Å; C46-C56 HydrophobicContact CB-CB 3.92Å; C46-C56 WeakPolarHBondContact CB-SG 3.38Å; C46-C56 PolarHBondContact O-SG 3.5Å; C46-C56 WeakPolarHBondContact SG-CB 3.33Å; C46-C56 CovalentContact SG-SG 2.05Å; C46-C56 PolarHBondContact SG-SG 3.5Å; R47-C56 PolarHBondContact N-SG 3.31Å; P53-C56 PolarHBondContact O-N 3.05Å; C56-Q58 VanDerWaalsContact C-N 3.31Å; C56-Q58 PolarHBondContact O-N 3.3Å; C56-E59 VanDerWaalsContact CA-OE2 3.28Å; C56-E59 WeakPolarHBondContact CA-OE2 3.42Å; C56-G60 PolarHBondContact O-N 3.02Å; C56-G60 VanDerWaalsContact O-N 3.07Å
57	I	95.3	Very high	95.7	Very high	41 Å²	41	69 Å²	69	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-36.3	-178.1	-66.8	172.3	0	0	0	111	P8 L13 R54 G60 R61	P8-I57 HydrophobicContact CB-CD1 4.05Å; P8-I57 HydrophobicContact CG-CD1 3.9Å; L13-I57 HydrophobicContact CD2-CD1 4.15Å; R54-I57 WeakPolarHBondContact O-CD1 3.21Å; R54-I57 WeakPolarHBondContact O-CG1 3.41Å; I57-G60 PolarHBondContact O-N 2.67Å; I57-R61 WeakPolarHBondContact O-CG 3.42Å; I57-R61 PolarHBondContact O-N 3.31Å
58	Q	93.8	Very high	95.7	Very high	147 Å²	147	64.2 Å²	64.2	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-66	-41.9	-178.5	-64.1	-174	2.9	0	0	111.8	C56 G60 R61 K62	C56-Q58 VanDerWaalsContact C-N 3.31Å; C56-Q58 PolarHBondContact O-N 3.3Å; Q58-G60 VanDerWaalsContact C-N 3.33Å; Q58-R61 WeakPolarHBondContact O-CB 3.44Å; Q58-R61 PolarHBondContact O-N 2.67Å; Q58-K62 PolarHBondContact O-N 3.02Å
59	E	95.9	Very high	95.7	Very high	35 Å²	35	58.7 Å²	58.7	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-38.1	173.5	-64.1	81.6	176.4	0	0	110.8	F43 C56 R61 K62 V63	F43-E59 HydrophobicContact CB-CB 3.95Å; F43-E59 HydrophobicContact CD2-CB 3.96Å; F43-E59 HydrophobicContact CG-CB 4.47Å; C56-E59 VanDerWaalsContact CA-OE2 3.28Å; C56-E59 WeakPolarHBondContact CA-OE2 3.42Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 3.13Å; E59-K62 WeakPolarHBondContact O-CB 3.11Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-K62 VanDerWaalsContact O-N 3.15Å; E59-V63 PolarHBondContact O-N 3.29Å
60	G	96.2	Very high	95.8	Very high	22 Å²	22	56.8 Å²	56.8	23%	0.227	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-38.1	172.9	0	0	0	0	0	113	C56 I57 Q58 V63 N64	C56-G60 PolarHBondContact O-N 3.02Å; C56-G60 VanDerWaalsContact O-N 3.07Å; I57-G60 PolarHBondContact O-N 2.67Å; Q58-G60 VanDerWaalsContact C-N 3.33Å; G60-V63 WeakPolarHBondContact O-CB 3.38Å; G60-V63 PolarHBondContact O-N 3.37Å; G60-N64 PolarHBondContact O-N 3.45Å
61	R	96.4	Very high	95.9	Very high	101 Å²	101	57 Å²	57	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173.3	-71.3	176.1	175.2	-153.4	-4.8	112	E12 V15 I57 Q58 E59 V63 N64 E65	E12-R61 VanDerWaalsContact C-NH2 3.28Å; E12-R61 PolarHBondContact O-NH2 2.89Å; V15-R61 HydrophobicContact CG1-CG 4.29Å; V15-R61 HydrophobicContact CG2-CG 3.79Å; I57-R61 WeakPolarHBondContact O-CG 3.42Å; I57-R61 PolarHBondContact O-N 3.31Å; Q58-R61 WeakPolarHBondContact O-CB 3.44Å; Q58-R61 PolarHBondContact O-N 2.67Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 3.13Å; R61-V63 VanDerWaalsContact C-N 3.32Å; R61-V63 PolarHBondContact O-N 3.39Å; R61-N64 PolarHBondContact O-N 3.47Å; R61-E65 WeakPolarHBondContact O-CB 3.42Å; R61-E65 PolarHBondContact O-N 3.47Å
62	K	96.4	Very high	96	Very high	107 Å²	107	60.8 Å²	60.8	47%	0.465	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-37.6	176.5	-66.2	175.2	-178.6	173.1	0	112.3	P39 Q58 E59 N64 C66	P39-K62 HydrophobicContact CB-CB 4.34Å; Q58-K62 PolarHBondContact O-N 3.02Å; E59-K62 WeakPolarHBondContact O-CB 3.11Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-K62 VanDerWaalsContact O-N 3.15Å; K62-N64 VanDerWaalsContact C-N 3.34Å; K62-C66 WeakPolarHBondContact O-CB 3.45Å; K62-C66 PolarHBondContact O-N 3.39Å
63	V	97.6	Very high	96.2	Very high	23 Å²	23	63.9 Å²	63.9	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-48.5	172.6	166.1	0	0	0	0	110.5	P39 N40 F43 E59 G60 R61 C66 A67	P39-V63 HydrophobicContact CB-CG2 4.42Å; P39-V63 WeakPolarHBondContact O-CG2 3.49Å; N40-V63 WeakPolarHBondContact OD1-CG1 3.43Å; F43-V63 HydrophobicContact CB-CG2 3.67Å; F43-V63 HydrophobicContact CD1-CG2 4.4Å; F43-V63 HydrophobicContact CG-CG2 4.12Å; E59-V63 PolarHBondContact O-N 3.29Å; G60-V63 WeakPolarHBondContact O-CB 3.38Å; G60-V63 PolarHBondContact O-N 3.37Å; R61-V63 VanDerWaalsContact C-N 3.32Å; R61-V63 PolarHBondContact O-N 3.39Å; V63-C66 PolarHBondContact O-N 3.44Å; V63-A67 PolarHBondContact O-N 3.42Å
64	N	96.9	Very high	96.3	Very high	35 Å²	35	60 Å²	60	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-42.6	-178.8	-160.8	22.9	0	0	0	112.2	V15 D16 V18 G60 R61 K62 C66 A67 V68	V15-N64 HydrophobicContact CG1-CB 4.23Å; V15-N64 WeakPolarHBondContact CG1-ND2 3.03Å; D16-N64 PolarHBondContact O-ND2 2.83Å; D16-N64 PolarHBondContact O-OD1 2.73Å; V18-N64 VanDerWaalsContact CG2-OD1 3.32Å; V18-N64 WeakPolarHBondContact CG2-OD1 3.45Å; G60-N64 PolarHBondContact O-N 3.45Å; R61-N64 PolarHBondContact O-N 3.47Å; K62-N64 VanDerWaalsContact C-N 3.34Å; N64-C66 VanDerWaalsContact C-N 3.34Å; N64-C66 PolarHBondContact O-N 2.97Å; N64-A67 PolarHBondContact O-N 3.35Å; N64-V68 WeakPolarHBondContact O-CG2 3.03Å; N64-V68 PolarHBondContact O-N 2.89Å
65	E	96.7	Very high	96.4	Very high	123 Å²	123	63.3 Å²	63.3	58%	0.575	30%	0.297	S	S	*	.	H	α-helix	trans	-59	-43.3	173.8	-175.9	-179.5	-176.9	0	0	112	R61 V68 N69	R61-E65 WeakPolarHBondContact O-CB 3.42Å; R61-E65 PolarHBondContact O-N 3.47Å; E65-V68 PolarHBondContact O-N 2.9Å; E65-N69 WeakPolarHBondContact O-CB 3.47Å; E65-N69 PolarHBondContact O-N 2.84Å; E65-N69 PolarHBondContact O-ND2 3.39Å
66	C	97.5	Very high	96.6	Very high	32 Å²	32	61.6 Å²	61.6	22%	0.216	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-44.7	175.7	-163.3	0	0	0	0	111.5	C36 P39 K62 V63 N64 N69 F70	C36-C66 VanDerWaalsContact CA-SG 3.51Å; C36-C66 HydrophobicContact CB-CB 4.03Å; C36-C66 WeakPolarHBondContact CB-SG 3.44Å; C36-C66 VanDerWaalsContact SG-C 3.54Å; C36-C66 WeakPolarHBondContact SG-CB 3.45Å; C36-C66 PolarHBondContact SG-O 3.33Å; C36-C66 CovalentContact SG-SG 2.05Å; C36-C66 PolarHBondContact SG-SG 3.18Å; P39-C66 HydrophobicContact CG-CB 3.89Å; K62-C66 WeakPolarHBondContact O-CB 3.45Å; K62-C66 PolarHBondContact O-N 3.39Å; V63-C66 PolarHBondContact O-N 3.44Å; N64-C66 VanDerWaalsContact C-N 3.34Å; N64-C66 PolarHBondContact O-N 2.97Å; C66-N69 PolarHBondContact O-N 3.09Å; C66-F70 WeakPolarHBondContact O-CB 3.35Å; C66-F70 PolarHBondContact O-N 3.02Å
67	A	97.7	Very high	96.6	Very high	9 Å²	9	64.5 Å²	64.5	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-45.7	178.5	0	0	0	0	0	112.5	V18 Y32 V63 N64 N69 F70 F71	V18-A67 HydrophobicContact CG2-CB 3.79Å; Y32-A67 HydrophobicContact CE2-CB 3.76Å; V63-A67 PolarHBondContact O-N 3.42Å; N64-A67 PolarHBondContact O-N 3.35Å; A67-N69 PolarHBondContact O-N 3.1Å; A67-F70 PolarHBondContact O-N 3.34Å; A67-F71 VanDerWaalsContact O-CD2 3.24Å; A67-F71 WeakPolarHBondContact O-CD2 3.34Å; A67-F71 PolarHBondContact O-N 3.15Å
68	V	97.1	Very high	96.7	Very high	36 Å²	36	62.7 Å²	62.7	22%	0.218	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-46.1	176.7	171.8	0	0	0	0	111	V18 N64 E65 F71 R72	V18-V68 HydrophobicContact CG2-CG2 3.72Å; N64-V68 WeakPolarHBondContact O-CG2 3.03Å; N64-V68 PolarHBondContact O-N 2.89Å; E65-V68 PolarHBondContact O-N 2.9Å; V68-F71 PolarHBondContact O-N 3.24Å; V68-R72 WeakPolarHBondContact O-CB 3.38Å; V68-R72 PolarHBondContact O-N 3.4Å
69	N	96.4	Very high	96.8	Very high	60 Å²	60	57.6 Å²	57.6	32%	0.321	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-39.7	178.8	-74.9	-30.6	0	0	0	112.2	E65 C66 A67 R72 Q73	E65-N69 WeakPolarHBondContact O-CB 3.47Å; E65-N69 PolarHBondContact O-N 2.84Å; E65-N69 PolarHBondContact O-ND2 3.39Å; C66-N69 PolarHBondContact O-N 3.09Å; A67-N69 PolarHBondContact O-N 3.1Å; N69-R72 WeakPolarHBondContact O-CB 3.45Å; N69-R72 PolarHBondContact O-N 2.92Å; N69-R72 PolarHBondContact OD1-NH1 3.49Å; N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.07Å
70	F	97.7	Very high	96.9	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-49.9	175	168.8	-94.5	0	0	0	112	A28 H31 Y32 Q35 C66 A67 R72 Q73 I74 W117	A28-F70 HydrophobicContact CB-CE1 3.73Å; A28-F70 HydrophobicContact CB-CZ 4Å; H31-F70 HydrophobicContact CB-CE2 4.02Å; H31-F70 HydrophobicContact CB-CZ 3.98Å; Y32-F70 HydrophobicContact CD2-CB 4.49Å; Y32-F70 AromaticContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CD1 3.92Å; Y32-F70 HydrophobicContact CD2-CE1 4.24Å; Y32-F70 HydrophobicContact CD2-CG 4.09Å; Q35-F70 HydrophobicContact CB-CD2 4.2Å; Q35-F70 HydrophobicContact CB-CE2 4.44Å; Q35-F70 HydrophobicContact CG-CD2 4.48Å; Q35-F70 HydrophobicContact CG-CE2 4.36Å; C66-F70 WeakPolarHBondContact O-CB 3.35Å; C66-F70 PolarHBondContact O-N 3.02Å; A67-F70 PolarHBondContact O-N 3.34Å; F70-R72 VanDerWaalsContact C-N 3.31Å; F70-R72 PolarHBondContact O-N 3.46Å; F70-Q73 PolarHBondContact O-N 3.02Å; F70-I74 HydrophobicContact CD1-CD1 4.15Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE2-CD1 4Å; F70-I74 HydrophobicContact CZ-CD1 3.35Å; F70-I74 HydrophobicContact CZ-CG1 4.41Å; F70-I74 PolarHBondContact O-N 3.39Å; F70-I74 VanDerWaalsContact O-N 3.08Å; F70-W117 AromaticContact CD2-CH2 3.78Å; F70-W117 HydrophobicContact CD2-CH2 3.78Å; F70-W117 AromaticContact CD2-CZ3 3.76Å; F70-W117 HydrophobicContact CD2-CZ3 3.76Å; F70-W117 HydrophobicContact CE2-CE3 4.24Å; F70-W117 HydrophobicContact CE2-CH2 4.01Å; F70-W117 AromaticContact CE2-CZ3 3.48Å; F70-W117 HydrophobicContact CE2-CZ3 3.48Å; F70-W117 VanDerWaalsContact CE2-CZ3 3.48Å; F70-W117 HydrophobicContact CZ-CZ3 4.46Å
71	F	97.4	Very high	96.9	Very high	30 Å²	30	63.8 Å²	63.8	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-31.8	177.6	-77.7	-65.3	0	0	0	112.8	V18 V24 L25 A28 A67 V68 Q73 I74 K75 F82	V18-F71 HydrophobicContact CG1-CD2 3.84Å; V18-F71 HydrophobicContact CG1-CE2 3.83Å; V24-F71 HydrophobicContact CG1-CE1 3.89Å; V24-F71 HydrophobicContact CG1-CZ 4.43Å; L25-F71 HydrophobicContact CD2-CE2 3.81Å; L25-F71 HydrophobicContact CD2-CZ 3.75Å; A28-F71 HydrophobicContact CB-CE1 3.87Å; A28-F71 HydrophobicContact CB-CZ 4.09Å; A67-F71 VanDerWaalsContact O-CD2 3.24Å; A67-F71 WeakPolarHBondContact O-CD2 3.34Å; A67-F71 PolarHBondContact O-N 3.15Å; V68-F71 PolarHBondContact O-N 3.24Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.93Å; F71-I74 PolarHBondContact O-N 3.39Å; F71-K75 VanDerWaalsContact O-CB 3.31Å; F71-K75 WeakPolarHBondContact O-CB 3.06Å; F71-K75 PolarHBondContact O-N 3.13Å; F71-F82 HydrophobicContact CE1-CE1 4.38Å; F71-F82 HydrophobicContact CE1-CZ 4.12Å
72	R	96.8	Very high	97	Very high	165 Å²	165	59.6 Å²	59.6	62%	0.623	31%	0.307	S	S	*	.	H	α-helix	trans	-62.4	-39.9	172.8	-171.1	-179	-81.3	143.2	-8.6	111.4	V68 N69 F70 K75 G76	V68-R72 WeakPolarHBondContact O-CB 3.38Å; V68-R72 PolarHBondContact O-N 3.4Å; N69-R72 WeakPolarHBondContact O-CB 3.45Å; N69-R72 PolarHBondContact O-N 2.92Å; N69-R72 PolarHBondContact OD1-NH1 3.49Å; F70-R72 VanDerWaalsContact C-N 3.31Å; F70-R72 PolarHBondContact O-N 3.46Å; R72-K75 PolarHBondContact O-N 3.01Å; R72-G76 PolarHBondContact O-N 3.42Å
73	Q	96.9	Very high	97	Very high	88 Å²	88	57.5 Å²	57.5	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-68.7	-41.7	176.8	-70.6	174.8	11.3	0	0	112.6	N69 F70 F71 G76 N77 W117	N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.07Å; F70-Q73 PolarHBondContact O-N 3.02Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.93Å; Q73-G76 PolarHBondContact O-N 2.88Å; Q73-N77 PolarHBondContact O-N 3.48Å; Q73-N77 PolarHBondContact O-ND2 3.46Å; Q73-W117 HydrophobicContact CB-CH2 4.23Å; Q73-W117 VanDerWaalsContact OE1-CH2 3.26Å
74	I	96.8	Very high	97	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-46.4	174.2	-69.6	178.3	0	0	0	110.5	A28 F70 F71 G76 N77 C78 A79 F82 F107 W117	A28-I74 HydrophobicContact CB-CD1 4.44Å; F70-I74 HydrophobicContact CD1-CD1 4.15Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE2-CD1 4Å; F70-I74 HydrophobicContact CZ-CD1 3.35Å; F70-I74 HydrophobicContact CZ-CG1 4.41Å; F70-I74 PolarHBondContact O-N 3.39Å; F70-I74 VanDerWaalsContact O-N 3.08Å; F71-I74 PolarHBondContact O-N 3.39Å; I74-G76 VanDerWaalsContact C-N 3.28Å; I74-G76 PolarHBondContact O-N 3.43Å; I74-N77 PolarHBondContact O-N 3.29Å; I74-C78 CarbonylContact O-C 3.49Å; I74-C78 PolarHBondContact O-N 2.94Å; I74-A79 PolarHBondContact O-N 3.21Å; I74-F82 HydrophobicContact CG2-CB 3.9Å; I74-F82 HydrophobicContact CG2-CD1 3.62Å; I74-F82 HydrophobicContact CG2-CD2 4.24Å; I74-F82 HydrophobicContact CG2-CE1 4.19Å; I74-F82 HydrophobicContact CG2-CG 3.65Å; I74-F107 HydrophobicContact CD1-CZ 4.16Å; I74-F107 HydrophobicContact CG2-CE2 4.26Å; I74-W117 HydrophobicContact CG1-CZ3 4.27Å
75	K	96.2	Very high	97.1	Very high	168 Å²	168	60.7 Å²	60.7	73%	0.73	32%	0.315	S	S	*	.	H	α-helix	trans	-61.7	-34.3	179	-171.3	178.1	-178.9	179	0	112.7	F71 R72	F71-K75 VanDerWaalsContact O-CB 3.31Å; F71-K75 WeakPolarHBondContact O-CB 3.06Å; F71-K75 PolarHBondContact O-N 3.13Å; R72-K75 PolarHBondContact O-N 3.01Å
76	G	96.6	Very high	97.1	Very high	64 Å²	64	57.8 Å²	57.8	66%	0.66	30%	0.299	S	S	*	.	H	α-helix	trans	-74.1	-26.7	178.2	0	0	0	0	0	114.5	R72 Q73 I74	R72-G76 PolarHBondContact O-N 3.42Å; Q73-G76 PolarHBondContact O-N 2.88Å; I74-G76 VanDerWaalsContact C-N 3.28Å; I74-G76 PolarHBondContact O-N 3.43Å
77	N	96.4	Very high	97	Very high	61 Å²	61	59.6 Å²	59.6	33%	0.326	31%	0.309	S	S	.	.	H	α-helix	trans	-116.5	-46	-168.6	-66.3	-73.2	0	0	0	114.3	Q73 I74 K114 L115	Q73-N77 PolarHBondContact O-N 3.48Å; Q73-N77 PolarHBondContact O-ND2 3.46Å; I74-N77 PolarHBondContact O-N 3.29Å; N77-K114 HydrophobicContact CB-CB 4.3Å; N77-K114 HydrophobicContact CB-CD 4.04Å; N77-K114 WeakPolarHBondContact O-CD 3.07Å; N77-K114 PolarHBondContact O-NZ 2.89Å; N77-L115 HydrophobicContact CB-CD2 4.49Å; N77-L115 HydrophobicContact CB-CG 4.43Å
78	C	96.9	Very high	97	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.02	32%	0.315	C	S	.	.	S	Bend	trans	-130.5	37.2	-168.9	-65.9	0	0	0	0	112.4	I74 E80 S81 F82 F107 C110 V111	I74-C78 CarbonylContact O-C 3.49Å; I74-C78 PolarHBondContact O-N 2.94Å; C78-E80 PolarHBondContact O-N 3.22Å; C78-S81 PolarHBondContact O-OG 3.07Å; C78-F82 WeakPolarHBondContact O-CB 3.45Å; C78-F82 PolarHBondContact O-N 3.07Å; C78-F82 VanDerWaalsContact O-N 3.08Å; C78-F107 HydrophobicContact CB-CE2 4.49Å; C78-C110 VanDerWaalsContact CA-SG 3.57Å; C78-C110 HydrophobicContact CB-CB 3.97Å; C78-C110 WeakPolarHBondContact CB-SG 3.42Å; C78-C110 WeakPolarHBondContact SG-CB 3.23Å; C78-C110 PolarHBondContact SG-O 3.47Å; C78-C110 VanDerWaalsContact SG-O 3.33Å; C78-C110 CovalentContact SG-SG 2.05Å; C78-C110 PolarHBondContact SG-SG 2.87Å; C78-V111 HydrophobicContact CB-CG2 4.41Å
79	A	96.9	Very high	96.9	Very high	39 Å²	39	58.8 Å²	58.8	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-43.8	-174.6	0	0	0	0	0	113.7	I74 T83	I74-A79 PolarHBondContact O-N 3.21Å; A79-T83 VanDerWaalsContact O-CB 3.31Å; A79-T83 WeakPolarHBondContact O-CB 3.32Å; A79-T83 PolarHBondContact O-N 3.32Å; A79-T83 PolarHBondContact O-OG1 3.16Å
80	E	97.1	Very high	96.9	Very high	166 Å²	166	60.2 Å²	60.2	78%	0.776	31%	0.312	S	S	*	.	H	α-helix	trans	-68.3	-55.3	-175.3	-65.9	-179.1	169.6	0	0	111.8	C78 F82 T83 E84	C78-E80 PolarHBondContact O-N 3.22Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 3.44Å; E80-T83 WeakPolarHBondContact O-CA 3.26Å; E80-T83 WeakPolarHBondContact O-CB 3.12Å; E80-T83 PolarHBondContact O-N 2.9Å; E80-E84 PolarHBondContact O-N 3.18Å
81	S	97	Very high	96.7	Very high	21 Å²	21	69.8 Å²	69.8	15%	0.147	35%	0.349	C	S	.	.	H	α-helix	trans	-61.2	-36.2	178.7	57.7	0	0	0	0	112.5	C78 T83 Y85	C78-S81 PolarHBondContact O-OG 3.07Å; S81-T83 VanDerWaalsContact C-N 3.35Å; S81-Y85 WeakPolarHBondContact O-CB 3.36Å; S81-Y85 PolarHBondContact O-N 3.37Å; S81-Y85 VanDerWaalsContact O-N 3.16Å
82	F	97.9	Very high	95.9	Very high	14 Å²	14	70 Å²	70	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-40	173	-175.6	-119.3	0	0	0	111.9	V24 A27 A28 F71 I74 C78 E80 Y85 W86 F107	V24-F82 HydrophobicContact CG1-CE1 3.75Å; V24-F82 HydrophobicContact CG1-CZ 3.74Å; A27-F82 HydrophobicContact CB-CE2 3.89Å; A27-F82 HydrophobicContact CB-CZ 4.4Å; A28-F82 HydrophobicContact CB-CE2 3.88Å; A28-F82 HydrophobicContact CB-CZ 3.91Å; F71-F82 HydrophobicContact CE1-CE1 4.38Å; F71-F82 HydrophobicContact CE1-CZ 4.12Å; I74-F82 HydrophobicContact CG2-CB 3.9Å; I74-F82 HydrophobicContact CG2-CD1 3.62Å; I74-F82 HydrophobicContact CG2-CD2 4.24Å; I74-F82 HydrophobicContact CG2-CE1 4.19Å; I74-F82 HydrophobicContact CG2-CG 3.65Å; C78-F82 WeakPolarHBondContact O-CB 3.45Å; C78-F82 PolarHBondContact O-N 3.07Å; C78-F82 VanDerWaalsContact O-N 3.08Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 3.44Å; F82-Y85 PolarHBondContact O-N 3.46Å; F82-W86 AromaticContact CD1-CD1 3.83Å; F82-W86 AromaticContact CE1-CD1 3.8Å; F82-W86 PolarHBondContact O-N 2.87Å; F82-F107 HydrophobicContact CB-CD2 3.74Å; F82-F107 HydrophobicContact CB-CE2 3.71Å; F82-F107 HydrophobicContact CD2-CD1 4.38Å; F82-F107 AromaticContact CD2-CD2 3.85Å; F82-F107 HydrophobicContact CD2-CD2 3.85Å; F82-F107 AromaticContact CD2-CE1 3.98Å; F82-F107 HydrophobicContact CD2-CE1 3.98Å; F82-F107 AromaticContact CD2-CE2 3.42Å; F82-F107 HydrophobicContact CD2-CE2 3.42Å; F82-F107 VanDerWaalsContact CD2-CE2 3.42Å; F82-F107 HydrophobicContact CD2-CG 4.31Å; F82-F107 AromaticContact CD2-CZ 3.5Å; F82-F107 HydrophobicContact CD2-CZ 3.5Å; F82-F107 VanDerWaalsContact CD2-CZ 3.5Å; F82-F107 HydrophobicContact CE2-CE1 4.36Å; F82-F107 HydrophobicContact CE2-CE2 4.37Å; F82-F107 HydrophobicContact CE2-CZ 4.03Å; F82-F107 HydrophobicContact CG-CD2 4.26Å; F82-F107 AromaticContact CG-CE2 3.9Å; F82-F107 HydrophobicContact CG-CE2 3.9Å; F82-F107 HydrophobicContact CG-CZ 4.36Å
83	T	97.7	Very high	95.3	Very high	62 Å²	62	70.4 Å²	70.4	38%	0.38	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-46.2	-179.5	-59.5	0	0	0	0	112.4	A79 E80 S81 Y85 W86 T87	A79-T83 VanDerWaalsContact O-CB 3.31Å; A79-T83 WeakPolarHBondContact O-CB 3.32Å; A79-T83 PolarHBondContact O-N 3.32Å; A79-T83 PolarHBondContact O-OG1 3.16Å; E80-T83 WeakPolarHBondContact O-CA 3.26Å; E80-T83 WeakPolarHBondContact O-CB 3.12Å; E80-T83 PolarHBondContact O-N 2.9Å; S81-T83 VanDerWaalsContact C-N 3.35Å; T83-Y85 VanDerWaalsContact C-N 3.28Å; T83-Y85 PolarHBondContact O-N 3.49Å; T83-W86 HydrophobicContact CG2-CZ2 3.93Å; T83-T87 WeakPolarHBondContact O-CB 3.1Å; T83-T87 PolarHBondContact O-N 3.34Å; T83-T87 PolarHBondContact O-OG1 3.19Å
84	E	97.1	Very high	95	Very high	123 Å²	123	72.1 Å²	72.1	58%	0.575	38%	0.379	S	S	*	.	H	α-helix	trans	-60.1	-39.8	174.3	-66.9	-178.1	174.7	0	0	111.9	E80 C88	E80-E84 PolarHBondContact O-N 3.18Å; E84-C88 WeakPolarHBondContact O-CB 3.34Å; E84-C88 PolarHBondContact O-N 3.34Å
85	Y	97.6	Very high	94.7	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.008	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-52.5	-179.3	177.9	-136.7	0	0	0	112.9	A27 S81 F82 T83 T87 C88 L89 C100 Q103 Q104 F107	A27-Y85 HydrophobicContact CB-CD1 3.73Å; A27-Y85 HydrophobicContact CB-CE1 3.66Å; A27-Y85 WeakPolarHBondContact O-CE1 3.39Å; S81-Y85 WeakPolarHBondContact O-CB 3.36Å; S81-Y85 PolarHBondContact O-N 3.37Å; S81-Y85 VanDerWaalsContact O-N 3.16Å; F82-Y85 PolarHBondContact O-N 3.46Å; T83-Y85 VanDerWaalsContact C-N 3.28Å; T83-Y85 PolarHBondContact O-N 3.49Å; Y85-T87 VanDerWaalsContact C-N 3.29Å; Y85-T87 PolarHBondContact O-N 3.5Å; Y85-C88 WeakPolarHBondContact O-CB 3.43Å; Y85-C88 PolarHBondContact O-N 3.27Å; Y85-L89 HydrophobicContact CD2-CD1 4.36Å; Y85-L89 HydrophobicContact CD2-CG 4.46Å; Y85-L89 HydrophobicContact CE1-CD1 4.14Å; Y85-L89 HydrophobicContact CE2-CD1 3.78Å; Y85-L89 HydrophobicContact CE2-CD2 4.44Å; Y85-L89 HydrophobicContact CE2-CG 4.03Å; Y85-L89 PolarHBondContact O-N 2.8Å; Y85-C100 HydrophobicContact CD2-CB 4.07Å; Y85-C100 HydrophobicContact CE2-CB 3.9Å; Y85-Q103 HydrophobicContact CD2-CB 3.94Å; Y85-Q103 HydrophobicContact CG-CB 4.42Å; Y85-Q104 HydrophobicContact CD2-CB 4.08Å; Y85-Q104 HydrophobicContact CE1-CG 4.24Å; Y85-Q104 HydrophobicContact CE2-CB 3.59Å; Y85-Q104 HydrophobicContact CE2-CG 4.04Å; Y85-F107 HydrophobicContact CD1-CB 4.35Å; Y85-F107 AromaticContact CD1-CD1 3.88Å; Y85-F107 HydrophobicContact CD1-CD1 3.88Å; Y85-F107 HydrophobicContact CD1-CG 4.3Å; Y85-F107 HydrophobicContact CE1-CD1 4.28Å
86	W	96.9	Very high	94.6	Very high	63 Å²	63	67.4 Å²	67.4	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-69.2	-31.1	-179.5	73.8	-110.6	0	0	0	111.7	V24 A27 F82 T83 C88 L89 D90	V24-W86 HydrophobicContact CG2-CB 4.23Å; V24-W86 HydrophobicContact CG2-CD2 3.56Å; V24-W86 HydrophobicContact CG2-CE3 3.91Å; V24-W86 HydrophobicContact CG2-CG 3.69Å; A27-W86 HydrophobicContact CB-CB 3.7Å; F82-W86 AromaticContact CD1-CD1 3.83Å; F82-W86 AromaticContact CE1-CD1 3.8Å; F82-W86 PolarHBondContact O-N 2.87Å; T83-W86 HydrophobicContact CG2-CZ2 3.93Å; W86-C88 VanDerWaalsContact C-N 3.35Å; W86-C88 PolarHBondContact O-N 3.38Å; W86-L89 PolarHBondContact O-N 3.41Å; W86-L89 VanDerWaalsContact O-N 3.16Å; W86-D90 HydrophobicContact CE3-CB 4.26Å; W86-D90 HydrophobicContact CZ3-CB 4.42Å; W86-D90 WeakPolarHBondContact O-CB 3.28Å; W86-D90 PolarHBondContact O-N 2.04Å
87	T	96.6	Very high	94.5	Very high	69 Å²	69	66.2 Å²	66.2	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.3	-61.6	0	0	0	0	111.2	T83 Y85 L89 D90 Y91	T83-T87 WeakPolarHBondContact O-CB 3.1Å; T83-T87 PolarHBondContact O-N 3.34Å; T83-T87 PolarHBondContact O-OG1 3.19Å; Y85-T87 VanDerWaalsContact C-N 3.29Å; Y85-T87 PolarHBondContact O-N 3.5Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.05Å; T87-D90 PolarHBondContact O-N 2.95Å; T87-Y91 PolarHBondContact O-N 3.08Å; T87-Y91 VanDerWaalsContact O-N 3.15Å
88	C	96.3	Very high	94.4	Very high	29 Å²	29	71 Å²	71	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-41.7	172.3	178.3	0	0	0	0	111.9	E84 Y85 W86 Y91 C100 Q103	E84-C88 WeakPolarHBondContact O-CB 3.34Å; E84-C88 PolarHBondContact O-N 3.34Å; Y85-C88 WeakPolarHBondContact O-CB 3.43Å; Y85-C88 PolarHBondContact O-N 3.27Å; W86-C88 VanDerWaalsContact C-N 3.35Å; W86-C88 PolarHBondContact O-N 3.38Å; C88-Y91 PolarHBondContact O-N 3.15Å; C88-C100 HydrophobicContact CB-CB 3.85Å; C88-C100 WeakPolarHBondContact CB-SG 3.24Å; C88-C100 PolarHBondContact O-SG 3.19Å; C88-C100 VanDerWaalsContact O-SG 3.34Å; C88-C100 VanDerWaalsContact SG-CA 3.57Å; C88-C100 WeakPolarHBondContact SG-CB 3.47Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 3.06Å; C88-Q103 HydrophobicContact CB-CG 4.29Å
89	L	95.7	Very high	94.2	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.5	-40.9	178.4	-72	174.1	0	0	0	112.1	A27 Y85 W86 T87 Y91 T92 L97 C100	A27-L89 HydrophobicContact CB-CD1 3.73Å; Y85-L89 HydrophobicContact CD2-CD1 4.36Å; Y85-L89 HydrophobicContact CD2-CG 4.46Å; Y85-L89 HydrophobicContact CE1-CD1 4.14Å; Y85-L89 HydrophobicContact CE2-CD1 3.78Å; Y85-L89 HydrophobicContact CE2-CD2 4.44Å; Y85-L89 HydrophobicContact CE2-CG 4.03Å; Y85-L89 PolarHBondContact O-N 2.8Å; W86-L89 PolarHBondContact O-N 3.41Å; W86-L89 VanDerWaalsContact O-N 3.16Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.05Å; L89-Y91 PolarHBondContact O-N 3.39Å; L89-T92 PolarHBondContact O-N 3.33Å; L89-T92 PolarHBondContact O-OG1 3.18Å; L89-L97 HydrophobicContact CD1-CD2 4.08Å; L89-L97 HydrophobicContact CD2-CD2 3.97Å; L89-C100 HydrophobicContact CD2-CB 4.05Å; L89-C100 HydrophobicContact CG-CB 4.3Å; L89-C100 PolarHBondContact N-SG 3.35Å
90	D	96.1	Very high	94.2	Very high	90 Å²	90	73.9 Å²	73.9	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-27.9	-179.6	-158.8	54.6	0	0	0	112.5	A23 W86 T87 T92	A23-D90 HydrophobicContact CB-CB 3.68Å; A23-D90 VanDerWaalsContact CB-OD1 3.26Å; A23-D90 WeakPolarHBondContact CB-OD1 3.38Å; W86-D90 HydrophobicContact CE3-CB 4.26Å; W86-D90 HydrophobicContact CZ3-CB 4.42Å; W86-D90 WeakPolarHBondContact O-CB 3.28Å; W86-D90 PolarHBondContact O-N 2.04Å; T87-D90 PolarHBondContact O-N 2.95Å; D90-T92 PolarHBondContact O-N 2.69Å
91	Y	93	Very high	94.2	Very high	207 Å²	207	71.8 Å²	71.8	81%	0.812	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.2	175.3	-174.1	-101.9	0	0	0	113.4	T87 C88 L89	T87-Y91 PolarHBondContact O-N 3.08Å; T87-Y91 VanDerWaalsContact O-N 3.15Å; C88-Y91 PolarHBondContact O-N 3.15Å; L89-Y91 PolarHBondContact O-N 3.39Å
92	T	82.3	Confident	94.2	Very high	34 Å²	34	79.1 Å²	79.1	21%	0.209	37%	0.374	C	S	.	.	S	Bend	trans	-97.5	131.1	-177.8	64.4	0	0	0	0	111.3	L89 D90 L94 A95 E96	L89-T92 PolarHBondContact O-N 3.33Å; L89-T92 PolarHBondContact O-OG1 3.18Å; D90-T92 PolarHBondContact O-N 2.69Å; T92-L94 PolarHBondContact O-N 3.16Å; T92-A95 PolarHBondContact O-N 3.16Å; T92-A95 WeakPolarHBondContact OG1-CA 3.08Å; T92-A95 PolarHBondContact OG1-N 3.4Å; T92-E96 PolarHBondContact OG1-N 2.89Å
93	N	83.5	Confident	94.1	Very high	173 Å²	173	81.3 Å²	81.3	93%	0.925	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.1	-179.8	-72.2	-16.5	0	0	0	114.2
94	L	90.3	Very high	94.1	Very high	125 Å²	125	79 Å²	79	65%	0.654	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-1.6	-178.7	-63.7	176.1	0	0	0	113.4	K26 T92 E96	K26-L94 PolarHBondContact NZ-O 3.19Å; K26-L94 VanDerWaalsContact NZ-O 3.13Å; T92-L94 PolarHBondContact O-N 3.16Å; L94-E96 HydrophobicContact CB-CG 3.74Å; L94-E96 WeakPolarHBondContact CD1-OE1 3.11Å; L94-E96 PolarHBondContact O-N 3.46Å
95	A	91.3	Very high	94.1	Very high	17 Å²	17	79.9 Å²	79.9	14%	0.14	37%	0.374	C	S	.	.			trans	47.4	55.3	-174.3	0	0	0	0	0	112	K26 T92 L97	K26-A95 HydrophobicContact CD-CB 3.72Å; K26-A95 WeakPolarHBondContact CE-O 3.11Å; K26-A95 PolarHBondContact NZ-O 2.97Å; T92-A95 PolarHBondContact O-N 3.16Å; T92-A95 WeakPolarHBondContact OG1-CA 3.08Å; T92-A95 PolarHBondContact OG1-N 3.4Å; A95-L97 PolarHBondContact O-N 3.4Å
96	E	92.9	Very high	94.1	Very high	54 Å²	54	81.8 Å²	81.8	25%	0.252	39%	0.39	S	S	.	.			trans	-81	118.6	-173.1	-59.2	-173.2	168.8	0	0	111.8	T92 L94 R98 H99	T92-E96 PolarHBondContact OG1-N 2.89Å; L94-E96 HydrophobicContact CB-CG 3.74Å; L94-E96 WeakPolarHBondContact CD1-OE1 3.11Å; L94-E96 PolarHBondContact O-N 3.46Å; E96-R98 HydrophobicContact CB-CG 4.21Å; E96-R98 PolarHBondContact O-N 3.09Å; E96-R98 IonicContact OE1-NH2 2.79Å; E96-R98 IonicContact OE2-CZ 2.67Å; E96-R98 IonicContact OE2-NE 3.12Å; E96-R98 PolarHBondContact OE2-NE 3.38Å; E96-R98 IonicContact OE2-NH2 2.75Å; E96-R98 PolarHBondContact OE2-NH2 2.05Å; E96-H99 PolarHBondContact O-N 2.88Å; E96-H99 IonicContact OE2-CD2 3.72Å; E96-H99 PolarHBondContact OE2-CD2 3.47Å; E96-H99 IonicContact OE2-NE2 2.96Å; E96-H99 PolarHBondContact OE2-NE2 2.98Å
97	L	94.3	Very high	94.2	Very high	39 Å²	39	78.8 Å²	78.8	20%	0.204	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-60	-25.5	-176.9	-57.5	175.6	0	0	0	113.7	L89 A95 H99 C100 R101	L89-L97 HydrophobicContact CD1-CD2 4.08Å; L89-L97 HydrophobicContact CD2-CD2 3.97Å; A95-L97 PolarHBondContact O-N 3.4Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.37Å; L97-C100 PolarHBondContact O-N 3.36Å; L97-R101 WeakPolarHBondContact O-CD 3.46Å; L97-R101 PolarHBondContact O-NE 3.37Å
98	R	94.6	Very high	94.3	Very high	162 Å²	162	77 Å²	77	61%	0.611	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-67	-24.5	-178.3	67.6	178.6	178.6	126.7	3.6	113.7	E96	E96-R98 HydrophobicContact CB-CG 4.21Å; E96-R98 PolarHBondContact O-N 3.09Å; E96-R98 IonicContact OE1-NH2 2.79Å; E96-R98 IonicContact OE2-CZ 2.67Å; E96-R98 IonicContact OE2-NE 3.12Å; E96-R98 PolarHBondContact OE2-NE 3.38Å; E96-R98 IonicContact OE2-NH2 2.75Å; E96-R98 PolarHBondContact OE2-NH2 2.05Å
99	H	94.1	Very high	94.3	Very high	102 Å²	102	78.1 Å²	78.1	47%	0.472	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-83.7	-20.2	-177	-68.3	-48.3	0	0	0	113.4	E96 L97	E96-H99 PolarHBondContact O-N 2.88Å; E96-H99 IonicContact OE2-CD2 3.72Å; E96-H99 PolarHBondContact OE2-CD2 3.47Å; E96-H99 IonicContact OE2-NE2 2.96Å; E96-H99 PolarHBondContact OE2-NE2 2.98Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.37Å
100	C	96.1	Very high	94.4	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-114.7	30.8	-172.3	-59.1	0	0	0	0	113.2	Y85 C88 L89 L97 K102 Q103 Q104	Y85-C100 HydrophobicContact CD2-CB 4.07Å; Y85-C100 HydrophobicContact CE2-CB 3.9Å; C88-C100 HydrophobicContact CB-CB 3.85Å; C88-C100 WeakPolarHBondContact CB-SG 3.24Å; C88-C100 PolarHBondContact O-SG 3.19Å; C88-C100 VanDerWaalsContact O-SG 3.34Å; C88-C100 VanDerWaalsContact SG-CA 3.57Å; C88-C100 WeakPolarHBondContact SG-CB 3.47Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 3.06Å; L89-C100 HydrophobicContact CD2-CB 4.05Å; L89-C100 HydrophobicContact CG-CB 4.3Å; L89-C100 PolarHBondContact N-SG 3.35Å; L97-C100 PolarHBondContact O-N 3.36Å; C100-K102 VanDerWaalsContact C-N 3.33Å; C100-K102 PolarHBondContact O-N 3.41Å; C100-Q103 PolarHBondContact O-N 3.27Å; C100-Q103 PolarHBondContact O-OE1 2.82Å; C100-Q104 WeakPolarHBondContact O-CB 3.41Å; C100-Q104 PolarHBondContact O-N 2.97Å
101	R	96.6	Very high	94.5	Very high	121 Å²	121	74.9 Å²	74.9	46%	0.457	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-30.9	-175.4	-65.3	-58.9	-171.4	-169.2	-2.1	113.9	L97 Q104 Q105	L97-R101 WeakPolarHBondContact O-CD 3.46Å; L97-R101 PolarHBondContact O-NE 3.37Å; R101-Q104 VanDerWaalsContact CD-OE1 3.3Å; R101-Q104 PolarHBondContact O-N 3.3Å; R101-Q105 PolarHBondContact O-N 3.18Å
102	K	96.9	Very high	94.8	Very high	175 Å²	175	69.1 Å²	69.1	76%	0.761	34%	0.342	S	S	*	.	H	α-helix	trans	-66.1	-49.5	177.2	-66.5	-176.1	179.8	-178.7	0	111	C100 Q104 Q105 A106	C100-K102 VanDerWaalsContact C-N 3.33Å; C100-K102 PolarHBondContact O-N 3.41Å; K102-Q104 VanDerWaalsContact C-N 3.31Å; K102-Q105 PolarHBondContact O-N 3.36Å; K102-A106 PolarHBondContact O-N 3.37Å; K102-A106 VanDerWaalsContact O-N 3.15Å
103	Q	97.3	Very high	95.5	Very high	60 Å²	60	73.8 Å²	73.8	28%	0.28	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-36.8	177	-60	82.1	-4.9	0	0	111	Y85 C88 C100 Q105 A106 F107	Y85-Q103 HydrophobicContact CD2-CB 3.94Å; Y85-Q103 HydrophobicContact CG-CB 4.42Å; C88-Q103 HydrophobicContact CB-CG 4.29Å; C100-Q103 PolarHBondContact O-N 3.27Å; C100-Q103 PolarHBondContact O-OE1 2.82Å; Q103-Q105 PolarHBondContact O-N 2.97Å; Q103-A106 PolarHBondContact O-N 3.03Å; Q103-F107 WeakPolarHBondContact O-CB 3.41Å; Q103-F107 PolarHBondContact O-N 3.26Å
104	Q	97.4	Very high	96.1	Very high	14 Å²	14	71.6 Å²	71.6	7%	0.065	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-47.3	173.4	-168	-158.4	-40.6	0	0	111.5	Y85 C100 R101 K102 A106 F107 D108	Y85-Q104 HydrophobicContact CD2-CB 4.08Å; Y85-Q104 HydrophobicContact CE1-CG 4.24Å; Y85-Q104 HydrophobicContact CE2-CB 3.59Å; Y85-Q104 HydrophobicContact CE2-CG 4.04Å; C100-Q104 WeakPolarHBondContact O-CB 3.41Å; C100-Q104 PolarHBondContact O-N 2.97Å; R101-Q104 VanDerWaalsContact CD-OE1 3.3Å; R101-Q104 PolarHBondContact O-N 3.3Å; K102-Q104 VanDerWaalsContact C-N 3.31Å; Q104-A106 VanDerWaalsContact C-N 3.33Å; Q104-A106 PolarHBondContact O-N 3.19Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q104-D108 WeakPolarHBondContact CG-OD2 3.17Å; Q104-D108 PolarHBondContact NE2-OD2 2.67Å; Q104-D108 WeakPolarHBondContact O-CB 3.14Å; Q104-D108 VanDerWaalsContact O-CG 3.25Å; Q104-D108 PolarHBondContact O-N 3.42Å
105	Q	97.4	Very high	96.4	Very high	142 Å²	142	67.7 Å²	67.7	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-61.2	-41.7	178.7	-175.1	179.2	5.7	0	0	111.8	R101 K102 Q103 F107 D108 S109	R101-Q105 PolarHBondContact O-N 3.18Å; K102-Q105 PolarHBondContact O-N 3.36Å; Q103-Q105 PolarHBondContact O-N 2.97Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; Q105-D108 PolarHBondContact O-N 3.22Å; Q105-S109 WeakPolarHBondContact O-CB 3.48Å; Q105-S109 PolarHBondContact O-N 2.75Å; Q105-S109 PolarHBondContact O-OG 3.46Å
106	A	97.8	Very high	96.6	Very high	41 Å²	41	69.3 Å²	69.3	34%	0.339	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-36.9	177.1	0	0	0	0	0	112.8	K102 Q103 Q104 S109 C110	K102-A106 PolarHBondContact O-N 3.37Å; K102-A106 VanDerWaalsContact O-N 3.15Å; Q103-A106 PolarHBondContact O-N 3.03Å; Q104-A106 VanDerWaalsContact C-N 3.33Å; Q104-A106 PolarHBondContact O-N 3.19Å; A106-S109 PolarHBondContact O-OG 3.46Å; A106-C110 PolarHBondContact O-N 2.79Å
107	F	98.1	Very high	96.8	Very high	1 Å²	1	68.1 Å²	68.1	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-69.7	-50.1	173.8	171.7	-118.3	0	0	0	111.6	H31 I74 C78 F82 Y85 Q103 Q104 Q105 S109 C110 V111	H31-F107 AromaticContact CD2-CE1 3.59Å; I74-F107 HydrophobicContact CD1-CZ 4.16Å; I74-F107 HydrophobicContact CG2-CE2 4.26Å; C78-F107 HydrophobicContact CB-CE2 4.49Å; F82-F107 HydrophobicContact CB-CD2 3.74Å; F82-F107 HydrophobicContact CB-CE2 3.71Å; F82-F107 HydrophobicContact CD2-CD1 4.38Å; F82-F107 AromaticContact CD2-CD2 3.85Å; F82-F107 HydrophobicContact CD2-CD2 3.85Å; F82-F107 AromaticContact CD2-CE1 3.98Å; F82-F107 HydrophobicContact CD2-CE1 3.98Å; F82-F107 AromaticContact CD2-CE2 3.42Å; F82-F107 HydrophobicContact CD2-CE2 3.42Å; F82-F107 VanDerWaalsContact CD2-CE2 3.42Å; F82-F107 HydrophobicContact CD2-CG 4.31Å; F82-F107 AromaticContact CD2-CZ 3.5Å; F82-F107 HydrophobicContact CD2-CZ 3.5Å; F82-F107 VanDerWaalsContact CD2-CZ 3.5Å; F82-F107 HydrophobicContact CE2-CE1 4.36Å; F82-F107 HydrophobicContact CE2-CE2 4.37Å; F82-F107 HydrophobicContact CE2-CZ 4.03Å; F82-F107 HydrophobicContact CG-CD2 4.26Å; F82-F107 AromaticContact CG-CE2 3.9Å; F82-F107 HydrophobicContact CG-CE2 3.9Å; F82-F107 HydrophobicContact CG-CZ 4.36Å; Y85-F107 HydrophobicContact CD1-CB 4.35Å; Y85-F107 AromaticContact CD1-CD1 3.88Å; Y85-F107 HydrophobicContact CD1-CD1 3.88Å; Y85-F107 HydrophobicContact CD1-CG 4.3Å; Y85-F107 HydrophobicContact CE1-CD1 4.28Å; Q103-F107 WeakPolarHBondContact O-CB 3.41Å; Q103-F107 PolarHBondContact O-N 3.26Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.98Å; F107-C110 PolarHBondContact O-N 3.42Å; F107-V111 HydrophobicContact CD2-CG2 3.87Å; F107-V111 HydrophobicContact CE1-CG2 4.33Å; F107-V111 HydrophobicContact CE2-CG2 3.36Å; F107-V111 HydrophobicContact CZ-CG2 3.63Å; F107-V111 WeakPolarHBondContact O-CG2 3.29Å; F107-V111 PolarHBondContact O-N 3.34Å
108	D	97.9	Very high	97	Very high	31 Å²	31	71.3 Å²	71.3	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-39.2	-179.9	-72.3	-22.3	0	0	0	111.2	H31 Q104 Q105 V111 L112 R119	H31-D108 IonicContact CD2-OD1 3.79Å; H31-D108 IonicContact CE1-OD1 3.31Å; H31-D108 IonicContact NE2-OD1 3.04Å; H31-D108 PolarHBondContact NE2-OD1 3.35Å; Q104-D108 WeakPolarHBondContact CG-OD2 3.17Å; Q104-D108 PolarHBondContact NE2-OD2 2.67Å; Q104-D108 WeakPolarHBondContact O-CB 3.14Å; Q104-D108 VanDerWaalsContact O-CG 3.25Å; Q104-D108 PolarHBondContact O-N 3.42Å; Q105-D108 PolarHBondContact O-N 3.22Å; D108-V111 PolarHBondContact O-N 2.81Å; D108-L112 WeakPolarHBondContact O-CB 3.43Å; D108-L112 PolarHBondContact O-N 3.31Å; D108-R119 WeakPolarHBondContact OD2-CD 3.39Å
109	S	97.9	Very high	97	Very high	53 Å²	53	66.7 Å²	66.7	37%	0.371	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-45.5	175.8	66.6	0	0	0	0	112.1	Q105 A106 F107 V111 L112 D113	Q105-S109 WeakPolarHBondContact O-CB 3.48Å; Q105-S109 PolarHBondContact O-N 2.75Å; Q105-S109 PolarHBondContact O-OG 3.46Å; A106-S109 PolarHBondContact O-OG 3.46Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.98Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 3.3Å; S109-L112 PolarHBondContact O-N 3.5Å; S109-D113 WeakPolarHBondContact O-CB 3.39Å; S109-D113 PolarHBondContact O-N 3.23Å
110	C	97.9	Very high	97.2	Very high	21 Å²	21	62.2 Å²	62.2	14%	0.142	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-42.9	177.1	-178.6	0	0	0	0	111.9	C78 A106 F107 D113 K114	C78-C110 VanDerWaalsContact CA-SG 3.57Å; C78-C110 HydrophobicContact CB-CB 3.97Å; C78-C110 WeakPolarHBondContact CB-SG 3.42Å; C78-C110 WeakPolarHBondContact SG-CB 3.23Å; C78-C110 PolarHBondContact SG-O 3.47Å; C78-C110 VanDerWaalsContact SG-O 3.33Å; C78-C110 CovalentContact SG-SG 2.05Å; C78-C110 PolarHBondContact SG-SG 2.87Å; A106-C110 PolarHBondContact O-N 2.79Å; F107-C110 PolarHBondContact O-N 3.42Å; C110-D113 PolarHBondContact O-N 2.98Å; C110-K114 WeakPolarHBondContact O-CB 3.41Å; C110-K114 PolarHBondContact O-N 3.37Å
111	V	97.8	Very high	97.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-41.3	179.7	167.5	0	0	0	0	110.9	C78 F107 D108 S109 L115 G116 W117	C78-V111 HydrophobicContact CB-CG2 4.41Å; F107-V111 HydrophobicContact CD2-CG2 3.87Å; F107-V111 HydrophobicContact CE1-CG2 4.33Å; F107-V111 HydrophobicContact CE2-CG2 3.36Å; F107-V111 HydrophobicContact CZ-CG2 3.63Å; F107-V111 WeakPolarHBondContact O-CG2 3.29Å; F107-V111 PolarHBondContact O-N 3.34Å; D108-V111 PolarHBondContact O-N 2.81Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 3.3Å; V111-L115 CarbonylContact O-C 3.55Å; V111-L115 WeakPolarHBondContact O-CA 3.33Å; V111-L115 WeakPolarHBondContact O-CB 3.29Å; V111-L115 PolarHBondContact O-N 2.69Å; V111-G116 PolarHBondContact O-N 2.73Å; V111-G116 VanDerWaalsContact O-N 3.11Å; V111-W117 HydrophobicContact CG1-CB 3.64Å; V111-W117 HydrophobicContact CG1-CD2 4.18Å; V111-W117 HydrophobicContact CG1-CE3 3.75Å; V111-W117 HydrophobicContact CG1-CG 4.19Å
112	L	97.7	Very high	97.2	Very high	87 Å²	87	70.9 Å²	70.9	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-46.3	174.9	-175.5	64.5	0	0	0	111.4	D108 S109 G116 V118	D108-L112 WeakPolarHBondContact O-CB 3.43Å; D108-L112 PolarHBondContact O-N 3.31Å; S109-L112 PolarHBondContact O-N 3.5Å; L112-G116 WeakPolarHBondContact O-CA 3.44Å; L112-G116 PolarHBondContact O-N 3.4Å; L112-V118 HydrophobicContact CD1-CG2 3.94Å
113	D	97.4	Very high	97.1	Very high	132 Å²	132	64 Å²	64	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-70.3	-39.8	-175.3	-66.1	-21.9	0	0	0	112.8	S109 C110	S109-D113 WeakPolarHBondContact O-CB 3.39Å; S109-D113 PolarHBondContact O-N 3.23Å; C110-D113 PolarHBondContact O-N 2.98Å
114	K	97	Very high	97	Very high	127 Å²	127	65.2 Å²	65.2	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-94.7	-34.7	-174.9	-64.8	-169.9	-177.8	-176.6	0	114.4	N77 C110	N77-K114 HydrophobicContact CB-CB 4.3Å; N77-K114 HydrophobicContact CB-CD 4.04Å; N77-K114 WeakPolarHBondContact O-CD 3.07Å; N77-K114 PolarHBondContact O-NZ 2.89Å; C110-K114 WeakPolarHBondContact O-CB 3.41Å; C110-K114 PolarHBondContact O-N 3.37Å
115	L	96.1	Very high	96.9	Very high	42 Å²	42	68 Å²	68	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-113.2	-15.3	-174.1	-63.4	170.7	0	0	0	112.8	N77 V111 W117	N77-L115 HydrophobicContact CB-CD2 4.49Å; N77-L115 HydrophobicContact CB-CG 4.43Å; V111-L115 CarbonylContact O-C 3.55Å; V111-L115 WeakPolarHBondContact O-CA 3.33Å; V111-L115 WeakPolarHBondContact O-CB 3.29Å; V111-L115 PolarHBondContact O-N 2.69Å; L115-W117 HydrophobicContact CB-CD2 3.89Å; L115-W117 HydrophobicContact CB-CE3 4.4Å; L115-W117 HydrophobicContact CB-CG 4.05Å; L115-W117 HydrophobicContact CB-CZ2 4.49Å; L115-W117 HydrophobicContact CD1-CD2 4.14Å; L115-W117 HydrophobicContact CD1-CE3 3.86Å; L115-W117 HydrophobicContact CD1-CH2 3.86Å; L115-W117 HydrophobicContact CD1-CZ2 4.14Å; L115-W117 HydrophobicContact CD1-CZ3 3.7Å; L115-W117 VanDerWaalsContact O-CD1 3.3Å; L115-W117 PolarHBondContact O-N 3.22Å
116	G	96.6	Very high	96.9	Very high	51 Å²	51	65.9 Å²	65.9	53%	0.526	38%	0.377	S	S	.	.			trans	71.9	15.4	-177.9	0	0	0	0	0	113.8	V111 L112	V111-G116 PolarHBondContact O-N 2.73Å; V111-G116 VanDerWaalsContact O-N 3.11Å; L112-G116 WeakPolarHBondContact O-CA 3.44Å; L112-G116 PolarHBondContact O-N 3.4Å
117	W	96.8	Very high	96.8	Very high	29 Å²	29	70 Å²	70	11%	0.11	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-84.9	125	-179	-53.5	-20.6	0	0	0	111	Q35 F70 Q73 I74 V111 L115	Q35-W117 HydrophobicContact CG-CD2 3.67Å; Q35-W117 HydrophobicContact CG-CE3 3.88Å; Q35-W117 HydrophobicContact CG-CG 4.11Å; Q35-W117 HydrophobicContact CG-CH2 4.23Å; Q35-W117 HydrophobicContact CG-CZ2 4.02Å; Q35-W117 HydrophobicContact CG-CZ3 4.17Å; F70-W117 AromaticContact CD2-CH2 3.78Å; F70-W117 HydrophobicContact CD2-CH2 3.78Å; F70-W117 AromaticContact CD2-CZ3 3.76Å; F70-W117 HydrophobicContact CD2-CZ3 3.76Å; F70-W117 HydrophobicContact CE2-CE3 4.24Å; F70-W117 HydrophobicContact CE2-CH2 4.01Å; F70-W117 AromaticContact CE2-CZ3 3.48Å; F70-W117 HydrophobicContact CE2-CZ3 3.48Å; F70-W117 VanDerWaalsContact CE2-CZ3 3.48Å; F70-W117 HydrophobicContact CZ-CZ3 4.46Å; Q73-W117 HydrophobicContact CB-CH2 4.23Å; Q73-W117 VanDerWaalsContact OE1-CH2 3.26Å; I74-W117 HydrophobicContact CG1-CZ3 4.27Å; V111-W117 HydrophobicContact CG1-CB 3.64Å; V111-W117 HydrophobicContact CG1-CD2 4.18Å; V111-W117 HydrophobicContact CG1-CE3 3.75Å; V111-W117 HydrophobicContact CG1-CG 4.19Å; L115-W117 HydrophobicContact CB-CD2 3.89Å; L115-W117 HydrophobicContact CB-CE3 4.4Å; L115-W117 HydrophobicContact CB-CG 4.05Å; L115-W117 HydrophobicContact CB-CZ2 4.49Å; L115-W117 HydrophobicContact CD1-CD2 4.14Å; L115-W117 HydrophobicContact CD1-CE3 3.86Å; L115-W117 HydrophobicContact CD1-CH2 3.86Å; L115-W117 HydrophobicContact CD1-CZ2 4.14Å; L115-W117 HydrophobicContact CD1-CZ3 3.7Å; L115-W117 VanDerWaalsContact O-CD1 3.3Å; L115-W117 PolarHBondContact O-N 3.22Å
118	V	96.8	Very high	96.7	Very high	106 Å²	106	77 Å²	77	64%	0.642	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-90.2	130.9	173.6	-177.6	0	0	0	0	108.6	L112	L112-V118 HydrophobicContact CD1-CG2 3.94Å
119	R	96.4	Very high	96.5	Very high	66 Å²	66	78.2 Å²	78.2	25%	0.249	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-66	129.5	174.5	-176.9	175.2	175.3	-77.3	-3.5	109.3	H30 D108	H30-R119 HydrophobicContact CB-CG 4.07Å; H30-R119 PolarHBondContact CD2-NH2 3.13Å; H30-R119 PolarHBondContact CE1-NH2 3.04Å; H30-R119 PolarHBondContact NE2-NH2 2.67Å; D108-R119 WeakPolarHBondContact OD2-CD 3.39Å
120	P	97.3	Very high	96.4	Very high	8 Å²	8	85.8 Å²	85.8	5%	0.052	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-59.4	144	177.9	-28.6	37.5	0	0	0	113.4	H30 E124 L125	H30-P120 WeakPolarHBondContact O-CD 3.3Å; H30-P120 WeakPolarHBondContact O-CG 3.49Å; P120-E124 VanDerWaalsContact CA-OE2 3.32Å; P120-E124 WeakPolarHBondContact CA-OE2 3.36Å; P120-E124 HydrophobicContact CB-CB 4.27Å; P120-L125 HydrophobicContact CB-CD1 4.33Å; P120-L125 HydrophobicContact CB-CD2 4.27Å; P120-L125 HydrophobicContact CB-CG 4Å; P120-L125 HydrophobicContact CG-CD1 4.4Å; P120-L125 HydrophobicContact CG-CD2 4.12Å; P120-L125 HydrophobicContact CG-CG 4.28Å
121	D	96.2	Very high	96.4	Very high	117 Å²	117	86.7 Å²	86.7	63%	0.626	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-75.2	164.8	176.8	-80.6	-29.7	0	0	0	112	G123 E124	D121-G123 PolarHBondContact O-N 3.15Å; D121-G123 VanDerWaalsContact O-N 3.16Å; D121-E124 HydrophobicContact CB-CG 3.94Å; D121-E124 PolarHBondContact N-OE2 3.01Å; D121-E124 PolarHBondContact O-N 2.96Å; D121-E124 VanDerWaalsContact O-N 3.16Å
122	L	96.4	Very high	96.2	Very high	185 Å²	185	92 Å²	92	97%	0.969	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	122.6	177.6	-176.2	65.3	0	0	0	110.1
123	G	95.2	Very high	96	Very high	31 Å²	31	90.1 Å²	90.1	32%	0.32	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.9	177	0	0	0	0	0	114.7	D121 S126 K127	D121-G123 PolarHBondContact O-N 3.15Å; D121-G123 VanDerWaalsContact O-N 3.16Å; G123-S126 VanDerWaalsContact CA-OG 3.29Å; G123-S126 WeakPolarHBondContact CA-OG 3.44Å; G123-S126 PolarHBondContact O-N 3.28Å; G123-S126 PolarHBondContact O-OG 3.33Å; G123-K127 WeakPolarHBondContact O-CG 3.43Å; G123-K127 PolarHBondContact O-N 3.38Å
124	E	95.7	Very high	95.8	Very high	85 Å²	85	90.3 Å²	90.3	40%	0.397	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-48.9	179.8	-65.8	-163.1	133.2	0	0	112.5	P120 D121 S126 K127	P120-E124 VanDerWaalsContact CA-OE2 3.32Å; P120-E124 WeakPolarHBondContact CA-OE2 3.36Å; P120-E124 HydrophobicContact CB-CB 4.27Å; D121-E124 HydrophobicContact CB-CG 3.94Å; D121-E124 PolarHBondContact N-OE2 3.01Å; D121-E124 PolarHBondContact O-N 2.96Å; D121-E124 VanDerWaalsContact O-N 3.16Å; E124-S126 PolarHBondContact O-N 2.69Å; E124-K127 WeakPolarHBondContact O-CB 3.23Å; E124-K127 PolarHBondContact O-N 3.14Å; E124-K127 VanDerWaalsContact O-N 3.15Å
125	L	95.6	Very high	95.5	Very high	74 Å²	74	86.4 Å²	86.4	39%	0.387	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.1	179.9	-63.2	176.8	0	0	0	113.3	P120	P120-L125 HydrophobicContact CB-CD1 4.33Å; P120-L125 HydrophobicContact CB-CD2 4.27Å; P120-L125 HydrophobicContact CB-CG 4Å; P120-L125 HydrophobicContact CG-CD1 4.4Å; P120-L125 HydrophobicContact CG-CD2 4.12Å; P120-L125 HydrophobicContact CG-CG 4.28Å
126	S	95.9	Very high	95.4	Very high	97 Å²	97	89.5 Å²	89.5	68%	0.678	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.9	176.4	53.8	0	0	0	0	114.1	G123 E124	G123-S126 VanDerWaalsContact CA-OG 3.29Å; G123-S126 WeakPolarHBondContact CA-OG 3.44Å; G123-S126 PolarHBondContact O-N 3.28Å; G123-S126 PolarHBondContact O-OG 3.33Å; E124-S126 PolarHBondContact O-N 2.69Å
127	K	95.8	Very high	95.2	Very high	126 Å²	126	93 Å²	93	55%	0.548	52%	0.52	S	S	.	.	S	Bend	trans	-66.2	141.6	176.5	-70.4	168.2	-173.4	170.6	0	110.1	G123 E124 T129	G123-K127 WeakPolarHBondContact O-CG 3.43Å; G123-K127 PolarHBondContact O-N 3.38Å; E124-K127 WeakPolarHBondContact O-CB 3.23Å; E124-K127 PolarHBondContact O-N 3.14Å; E124-K127 VanDerWaalsContact O-N 3.15Å; K127-T129 PolarHBondContact O-N 3.02Å
128	V	96.4	Very high	95.1	Very high	148 Å²	148	92.9 Å²	92.9	90%	0.897	52%	0.523	S	S	*	.			trans	-73.8	113.6	172.6	-178.9	0	0	0	0	108.7
129	T	94.9	Very high	94.9	Very high	57 Å²	57	97.4 Å²	97.4	35%	0.35	54%	0.537	S	S	.	.			trans	-93.2	143.2	179.4	50.2	0	0	0	0	111.1	K41 K127	K41-T129 PolarHBondContact NZ-OG1 2.76Å; K41-T129 VanDerWaalsContact NZ-OG1 3.08Å; K127-T129 PolarHBondContact O-N 3.02Å
130	K	95.6	Very high	94.8	Very high	213 Å²	213	97.5 Å²	97.5	93%	0.926	54%	0.543	S	S	*	.			trans	-89.1	130.7	169.7	-63.1	-178.8	-177.6	179.6	0	109.1
131	V	96.2	Very high	94.6	Very high	40 Å²	40	98.5 Å²	98.5	24%	0.242	55%	0.549	C	S	.	.			trans	-118.8	125.3	-177.7	-174.7	0	0	0	0	108.6	K41 E42 L45 T133	K41-V131 HydrophobicContact CB-CG2 3.64Å; E42-V131 HydrophobicContact CB-CG1 4.28Å; E42-V131 HydrophobicContact CG-CG1 3.42Å; E42-V131 VanDerWaalsContact CG-CG1 3.42Å; L45-V131 HydrophobicContact CD2-CB 4.05Å; L45-V131 HydrophobicContact CD2-CG1 4.45Å; V131-T133 HydrophobicContact CG1-CG2 4.03Å
132	S	94	Very high	94.4	Very high	111 Å²	111	100.7 Å²	100.7	78%	0.776	55%	0.55	S	S	*	*			trans	-86.8	126.2	173.8	-177.5	0	0	0	0	109
133	T	94.1	Very high	94.2	Very high	47 Å²	47	98.5 Å²	98.5	29%	0.288	53%	0.534	S	S	.	.			trans	-128.2	148.7	175.9	63.3	0	0	0	0	110.5	E42 L45 V131	E42-T133 HydrophobicContact CG-CG2 4.35Å; L45-T133 HydrophobicContact CD2-CG2 3.95Å; V131-T133 HydrophobicContact CG1-CG2 4.03Å
134	S	92.8	Very high	94	Very high	136 Å²	136	100.4 Å²	100.4	95%	0.951	54%	0.543	S	S	*	.	S	Bend	trans	-86.2	-14.1	177.5	53.1	0	0	0	0	113.4
135	R	91	Very high	93.9	Very high	45 Å²	45	106.5 Å²	106.5	17%	0.17	56%	0.563	C	S	.	*	S	Bend	trans	-73.4	147	178.4	65.7	-177.4	175.2	76.6	20.6	110.8	C46 E49	C46-R135 VanDerWaalsContact CA-NH2 3.25Å; E49-R135 IonicContact OE2-CZ 3.55Å; E49-R135 IonicContact OE2-NH1 3.37Å; E49-R135 PolarHBondContact OE2-NH1 2.97Å; E49-R135 IonicContact OE2-NH2 2.69Å; E49-R135 PolarHBondContact OE2-NH2 3.46Å
136	P	93.6	Very high	93.9	Very high	108 Å²	108	108.7 Å²	108.7	70%	0.701	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-69.1	154.1	175.4	30.1	-34.9	0	0	0	111.2
137	L	93.5	Very high	93.8	Very high	124 Å²	124	115.3 Å²	115.3	65%	0.649	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-73.9	133.7	171.8	-166.6	81.7	0	0	0	109.6	E49 E139	E49-L137 HydrophobicContact CG-CD1 4.18Å; L137-E139 PolarHBondContact O-N 2.88Å
138	P	94.4	Very high	93.8	Very high	26 Å²	26	114.7 Å²	114.7	17%	0.169	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-70.6	123.5	177.7	26.2	-33	0	0	0	111.6	E49 P141	E49-P138 HydrophobicContact CB-CG 4.12Å; E49-P138 WeakPolarHBondContact O-CG 3.4Å; P138-P141 HydrophobicContact CB-CB 4.27Å; P138-P141 HydrophobicContact CG-CB 4.26Å
139	E	92.8	Very high	93.8	Very high	201 Å²	201	116.3 Å²	116.3	94%	0.939	60%	0.598	S	S	*	*	S	Bend	trans	-70.2	-39.4	179.6	-64.3	-177.1	169.2	0	0	113.1	L137	L137-E139 PolarHBondContact O-N 2.88Å
140	N	93.1	Very high	93.8	Very high	68 Å²	68	119.3 Å²	119.3	36%	0.364	62%	0.618	S	S	.	*			trans	-133.2	74.2	180	-173.9	8.4	0	0	0	110.8	Y142 H143 S144	N140-Y142 PolarHBondContact O-N 3.35Å; N140-H143 PolarHBondContact O-N 2.94Å; N140-H143 VanDerWaalsContact O-N 3.08Å; N140-H143 PolarHBondContact OD1-N 3.23Å; N140-S144 PolarHBondContact ND2-N 3.32Å; N140-S144 PolarHBondContact ND2-O 2.9Å; N140-S144 PolarHBondContact OD1-N 3.19Å; N140-S144 PolarHBondContact OD1-OG 3.08Å
141	P	93.1	Very high	93.8	Very high	29 Å²	29	116.1 Å²	116.1	19%	0.188	61%	0.612	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-24	-174.1	26.6	-35.4	0	0	0	113.1	E49 K51 P138 H143	E49-P141 VanDerWaalsContact O-CB 3.23Å; E49-P141 WeakPolarHBondContact O-CB 3.39Å; K51-P141 HydrophobicContact CD-CB 4.27Å; P138-P141 HydrophobicContact CB-CB 4.27Å; P138-P141 HydrophobicContact CG-CB 4.26Å; P141-H143 VanDerWaalsContact C-N 3.34Å
142	Y	92.4	Very high	93.7	Very high	164 Å²	164	120.1 Å²	120.1	64%	0.643	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-2.1	179.1	-66.4	-73.8	0	0	0	113.8	K51 N140 S144	K51-Y142 HydrophobicContact CD-CD1 4.05Å; K51-Y142 HydrophobicContact CD-CD2 4.48Å; K51-Y142 HydrophobicContact CD-CE1 3.39Å; K51-Y142 HydrophobicContact CD-CE2 3.86Å; K51-Y142 WeakPolarHBondContact CD-OH 3.08Å; K51-Y142 WeakPolarHBondContact CE-OH 3.42Å; K51-Y142 PolarHBondContact NZ-OH 2.98Å; N140-Y142 PolarHBondContact O-N 3.35Å; Y142-S144 PolarHBondContact O-N 3.12Å; Y142-S144 VanDerWaalsContact O-N 3.12Å
143	H	91.2	Very high	93.6	Very high	138 Å²	138	120 Å²	120	64%	0.639	63%	0.633	S	S	*	*			trans	49.5	38.7	-172	-60.2	-81.8	0	0	0	111.9	N140 P141	N140-H143 PolarHBondContact O-N 2.94Å; N140-H143 VanDerWaalsContact O-N 3.08Å; N140-H143 PolarHBondContact OD1-N 3.23Å; P141-H143 VanDerWaalsContact C-N 3.34Å
144	S	92.9	Very high	93.4	Very high	72 Å²	72	126 Å²	126	50%	0.503	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-70.6	141	-177.3	62.1	0	0	0	0	110.8	N140 Y142	N140-S144 PolarHBondContact ND2-N 3.32Å; N140-S144 PolarHBondContact ND2-O 2.9Å; N140-S144 PolarHBondContact OD1-N 3.19Å; N140-S144 PolarHBondContact OD1-OG 3.08Å; Y142-S144 PolarHBondContact O-N 3.12Å; Y142-S144 VanDerWaalsContact O-N 3.12Å
145	R	93.2	Very high	93.3	Very high	213 Å²	213	127.7 Å²	127.7	80%	0.804	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-67.2	156.2	171.1	64.7	179	179.1	175.7	0.2	110.6	R147	R145-R147 PolarHBondContact O-N 3.44Å
146	P	94.5	Very high	93.1	Very high	120 Å²	120	129 Å²	129	78%	0.779	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-49.8	140.1	170.6	-26.2	34.6	0	0	0	111.2
147	R	94.8	Very high	92.8	Very high	235 Å²	235	132.5 Å²	132.5	89%	0.887	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-66.6	145.9	174.9	-68.8	-174.4	-179.1	-115.2	1.1	109	R145	R145-R147 PolarHBondContact O-N 3.44Å
148	P	95.9	Very high	92.8	Very high	114 Å²	114	135 Å²	135	74%	0.74	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-56.9	149.5	169.7	-21.3	32.7	0	0	0	110.8
149	E	95.2	Very high	92.7	Very high	181 Å²	181	140.3 Å²	140.3	85%	0.846	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-62.1	137.8	172.3	-66.2	-177.9	178.7	0	0	109.9
150	P	95.9	Very high	92.7	Very high	120 Å²	120	136 Å²	136	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-68.3	149.1	177.1	29.6	-33.8	0	0	0	110.3
151	N	94.8	Very high	92.6	Very high	147 Å²	147	136 Å²	136	79%	0.786	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-60.5	143.9	169.8	-69.1	-28.7	0	0	0	109.8	T153	N151-T153 PolarHBondContact O-N 3.18Å
152	P	94.2	Very high	92.5	Very high	123 Å²	123	143.5 Å²	143.5	80%	0.799	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.7	136.2	178.1	25.8	-33.8	0	0	0	110.2
153	T	92.4	Very high	92.3	Very high	109 Å²	109	142 Å²	142	67%	0.669	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-74.5	137.5	172.3	42.6	0	0	0	0	109.7	N151 E155	N151-T153 PolarHBondContact O-N 3.18Å; T153-E155 PolarHBondContact O-N 3.41Å
154	I	90.7	Very high	92.2	Very high	174 Å²	174	137.6 Å²	137.6	89%	0.892	74%	0.741	S	S	*	*			trans	-75.9	107.7	173.2	-58.8	173	0	0	0	107.2
155	E	88.9	Confident	92	Very high	171 Å²	171	136 Å²	136	80%	0.799	73%	0.729	S	S	*	*			trans	-99.7	129.3	175.2	-64.9	-176	-174.2	0	0	110	T153	T153-E155 PolarHBondContact O-N 3.41Å
156	G	87.7	Confident	91.5	Very high	71 Å²	71	135.6 Å²	135.6	73%	0.732	73%	0.728	S	S	*	*	S	Bend	trans	140.3	159	-178.7	0	0	0	0	0	112.3
157	K	88.2	Confident	91.2	Very high	183 Å²	183	133.8 Å²	133.8	80%	0.796	71%	0.711	S	S	*	*			trans	-70.5	141.5	170.6	-71	-177.9	-179.9	178.6	0	109	E159	K157-E159 PolarHBondContact O-N 2.97Å
158	L	91.8	Very high	90.5	Very high	177 Å²	177	132.3 Å²	132.3	93%	0.927	71%	0.712	S	S	*	*			trans	-70.4	96.9	173	-176.1	69	0	0	0	108.5
159	E	92.3	Very high	89.4	Confident	137 Å²	137	133.6 Å²	133.6	64%	0.64	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-72.8	148.1	174.3	-63.5	-56.2	143.9	0	0	110.7	K157	K157-E159 PolarHBondContact O-N 2.97Å
160	P	93.3	Very high	87.7	Confident	110 Å²	110	133 Å²	133	71%	0.714	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.1	147.1	174.6	25.6	-33.1	0	0	0	110.8	K162	P160-K162 PolarHBondContact O-N 2.94Å
161	A	91.9	Very high	85.8	Confident	69 Å²	69	133.2 Å²	133.2	57%	0.57	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.9	179.2	0	0	0	0	0	111	H163 G164	A161-H163 PolarHBondContact O-N 3.26Å; A161-G164 WeakPolarHBondContact CB-O 3.49Å; A161-G164 PolarHBondContact O-N 3.14Å; A161-G164 VanDerWaalsContact O-N 3.14Å
162	K	90.2	Very high	83.9	Confident	185 Å²	185	141.1 Å²	141.1	80%	0.804	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-30.5	-171.4	-169	179.8	177	179.2	0	115.5	P160	P160-K162 PolarHBondContact O-N 2.94Å
163	H	89.3	Confident	83.4	Confident	132 Å²	132	142 Å²	142	61%	0.611	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	32.8	-178.6	-60.1	-63.9	0	0	0	112.2	A161 S165 R166	A161-H163 PolarHBondContact O-N 3.26Å; H163-S165 PolarHBondContact O-N 3.46Å; H163-R166 HydrophobicContact CB-CG 3.77Å; H163-R166 PolarHBondContact O-N 3.04Å
164	G	88	Confident	83	Confident	46 Å²	46	143.7 Å²	143.7	47%	0.474	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	61	-131	-173.5	0	0	0	0	0	111.4	A161	A161-G164 WeakPolarHBondContact CB-O 3.49Å; A161-G164 PolarHBondContact O-N 3.14Å; A161-G164 VanDerWaalsContact O-N 3.14Å
165	S	88.8	Confident	82.5	Confident	38 Å²	38	142.1 Å²	142.1	27%	0.266	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.1	-32.3	-179.7	48.8	0	0	0	0	116.9	H163 L167 W170	H163-S165 PolarHBondContact O-N 3.46Å; S165-L167 PolarHBondContact O-N 3.29Å; S165-L167 PolarHBondContact OG-N 3.39Å; S165-W170 VanDerWaalsContact CB-CH2 3.41Å; S165-W170 WeakPolarHBondContact OG-CB 3.41Å
166	R	82.8	Confident	82.2	Confident	205 Å²	205	140.4 Å²	140.4	77%	0.774	70%	0.696	S	S	*	*			trans	54.9	28	-161.1	-55	172.4	-73.6	175.1	-2.4	113.4	H163	H163-R166 HydrophobicContact CB-CG 3.77Å; H163-R166 PolarHBondContact O-N 3.04Å
167	L	87.4	Confident	81.8	Confident	82 Å²	82	144.7 Å²	144.7	43%	0.429	69%	0.694	S	S	.	*			trans	-81.4	135.5	171.3	-146.8	89.9	0	0	0	109.3	S165 F169 W170	S165-L167 PolarHBondContact O-N 3.29Å; S165-L167 PolarHBondContact OG-N 3.39Å; L167-F169 HydrophobicContact CD2-CD2 4.11Å; L167-F169 HydrophobicContact CD2-CE1 4.49Å; L167-F169 HydrophobicContact CD2-CE2 3.44Å; L167-F169 VanDerWaalsContact CD2-CE2 3.44Å; L167-F169 HydrophobicContact CD2-CZ 3.66Å; L167-F169 HydrophobicContact CG-CE2 4.5Å; L167-F169 HydrophobicContact CG-CZ 4.41Å; L167-F169 PolarHBondContact O-N 3.25Å; L167-W170 HydrophobicContact CB-CB 3.85Å; L167-W170 HydrophobicContact CB-CD2 4.35Å; L167-W170 HydrophobicContact CB-CG 3.54Å; L167-W170 HydrophobicContact CD2-CG 4.29Å; L167-W170 HydrophobicContact CG-CG 4.49Å; L167-W170 PolarHBondContact O-N 2.83Å
168	F	80.6	Confident	81.4	Confident	204 Å²	204	142.1 Å²	142.1	90%	0.895	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	-27.5	-172.2	-82.9	-78.9	0	0	0	116.4
169	F	72.3	Confident	80.6	Confident	142 Å²	142	139.6 Å²	139.6	62%	0.623	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.3	18.2	-167.2	46.1	-100	0	0	0	111	L167 T171	L167-F169 HydrophobicContact CD2-CD2 4.11Å; L167-F169 HydrophobicContact CD2-CE1 4.49Å; L167-F169 HydrophobicContact CD2-CE2 3.44Å; L167-F169 VanDerWaalsContact CD2-CE2 3.44Å; L167-F169 HydrophobicContact CD2-CZ 3.66Å; L167-F169 HydrophobicContact CG-CE2 4.5Å; L167-F169 HydrophobicContact CG-CZ 4.41Å; L167-F169 PolarHBondContact O-N 3.25Å; F169-T171 VanDerWaalsContact C-N 3.25Å; F169-T171 PolarHBondContact O-N 3.41Å; F169-T171 PolarHBondContact O-OG1 2.6Å
170	W	59.5	Low	79.8	Confident	169 Å²	169	139.8 Å²	139.8	64%	0.64	67%	0.672	S	S	*	*			trans	-44.3	90.2	-163.4	-129.4	28.4	0	0	0	112.9	S165 L167	S165-W170 VanDerWaalsContact CB-CH2 3.41Å; S165-W170 WeakPolarHBondContact OG-CB 3.41Å; L167-W170 HydrophobicContact CB-CB 3.85Å; L167-W170 HydrophobicContact CB-CD2 4.35Å; L167-W170 HydrophobicContact CB-CG 3.54Å; L167-W170 HydrophobicContact CD2-CG 4.29Å; L167-W170 HydrophobicContact CG-CG 4.49Å; L167-W170 PolarHBondContact O-N 2.83Å
171	T	56.6	Low	78.6	Confident	123 Å²	123	142.3 Å²	142.3	76%	0.755	67%	0.669	S	S	*	*			trans	-98.3	109.9	149.3	39.2	0	0	0	0	104.5	F169	F169-T171 VanDerWaalsContact C-N 3.25Å; F169-T171 PolarHBondContact O-N 3.41Å; F169-T171 PolarHBondContact O-OG1 2.6Å
172	W	56.2	Low	77.4	Confident	313 Å²	313	149 Å²	149	100%	1.186	68%	0.678	S	S	*	*			trans	-104.8	0	133.3	-168.2	53.5	0	0	0	106.6

Retrieved 172 of 172 residues in 166.9 ms (Link to these results)

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