G4LVT3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4LVT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 aa.

						>G4LVT3_SCHMA|G4LVT3
MSDSIQTESLEDMCDWSPVGMDTAMITRSRLPEFDRSDFELWFARREHYSMRHNTKYEGICPWDLYSVSHHLISKEVRDFILSPPNSQPHTTIGREIMIHLWLSDGQRIHRLF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	42.3	Very low	239 Å²	239	117.7 Å²	117.7	100%	1.177	63%	0.633	S	S	*	*				0	120.2	0	-78.8	167.8	149.1	0	0	105.6
2	S	39.7	Very low	42.9	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	64%	0.643	S	S	*	*			trans	-67.9	130.9	-170.1	-51.8	0	0	0	0	111.4	S4	S2-S4 PolarHBondContact O-N 3.44Å
3	D	43	Very low	43.2	Very low	160 Å²	160	116.5 Å²	116.5	86%	0.856	62%	0.623	S	S	*	*			trans	-73.2	43.7	165.2	-65.3	-41	0	0	0	111.2	I5	D3-I5 PolarHBondContact O-N 3.4Å
4	S	40.5	Very low	43.5	Very low	106 Å²	106	110.9 Å²	110.9	74%	0.741	60%	0.597	S	S	*	*			trans	-80.4	27.8	168.7	-71.7	0	0	0	0	111.2	S2 Q6	S2-S4 PolarHBondContact O-N 3.44Å; S4-Q6 VanDerWaalsContact C-N 3.3Å; S4-Q6 PolarHBondContact O-N 3.25Å
5	I	43.4	Very low	43.3	Very low	132 Å²	132	113.1 Å²	113.1	68%	0.677	61%	0.609	S	S	*	*			trans	-75.7	94.5	171.1	-56.7	-177.2	0	0	0	106.5	D3	D3-I5 PolarHBondContact O-N 3.4Å
6	Q	44.2	Very low	42.9	Very low	103 Å²	103	118.7 Å²	118.7	48%	0.481	62%	0.619	S	S	.	*	S	Bend	trans	76.7	59.1	140.9	-59.6	176.8	-9.3	0	0	117.8	S4 S9 L10	S4-Q6 VanDerWaalsContact C-N 3.3Å; S4-Q6 PolarHBondContact O-N 3.25Å; Q6-S9 WeakPolarHBondContact CB-OG 3.43Å; Q6-S9 VanDerWaalsContact CG-OG 3.22Å; Q6-S9 WeakPolarHBondContact CG-OG 3.5Å; Q6-S9 PolarHBondContact OE1-OG 3.28Å; Q6-L10 VanDerWaalsContact O-CD1 3.29Å; Q6-L10 WeakPolarHBondContact O-CD1 3.36Å; Q6-L10 WeakPolarHBondContact O-CG 3.35Å
7	T	42.6	Very low	42.8	Very low	83 Å²	83	117.4 Å²	117.4	51%	0.509	62%	0.622	S	S	.	*	S	Bend	trans	-80	-34.5	144	49.2	0	0	0	0	110.9	L10	T7-L10 PolarHBondContact O-N 3.37Å
8	E	40.5	Very low	42.7	Very low	166 Å²	166	117.3 Å²	117.3	78%	0.776	63%	0.63	S	S	*	*	H	α-helix	trans	-70.9	-33.9	-177.3	-41	-173.6	150.6	0	0	111.8
9	S	50.4	Low	42.6	Very low	27 Å²	27	115.7 Å²	115.7	19%	0.189	62%	0.624	C	S	.	*	H	α-helix	trans	-80.3	-15.6	175.5	104.3	0	0	0	0	113.3	Q6 M13	Q6-S9 WeakPolarHBondContact CB-OG 3.43Å; Q6-S9 VanDerWaalsContact CG-OG 3.22Å; Q6-S9 WeakPolarHBondContact CG-OG 3.5Å; Q6-S9 PolarHBondContact OE1-OG 3.28Å; S9-M13 WeakPolarHBondContact O-CB 3.26Å; S9-M13 WeakPolarHBondContact O-CG 3.41Å; S9-M13 PolarHBondContact O-N 2.98Å; S9-M13 VanDerWaalsContact O-N 3.08Å; S9-M13 PolarHBondContact OG-SD 2.86Å
10	L	41.6	Very low	42.5	Very low	36 Å²	36	113.4 Å²	113.4	19%	0.188	63%	0.628	C	S	.	*	H	α-helix	trans	-70	-36.6	176.5	-83.2	164.7	0	0	0	112.1	Q6 T7 C14 M98	Q6-L10 VanDerWaalsContact O-CD1 3.29Å; Q6-L10 WeakPolarHBondContact O-CD1 3.36Å; Q6-L10 WeakPolarHBondContact O-CG 3.35Å; T7-L10 PolarHBondContact O-N 3.37Å; L10-C14 PolarHBondContact O-SG 3.02Å; L10-M98 HydrophobicContact CD1-CE 3.54Å; L10-M98 HydrophobicContact CD2-CE 4.21Å
11	E	45.3	Very low	42.7	Very low	141 Å²	141	112 Å²	112	66%	0.659	62%	0.618	S	S	*	*	H	α-helix	trans	-76.6	-43.4	177.6	-63.9	-175.6	128.2	0	0	111.3	M13 C14	E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.14Å; E11-C14 PolarHBondContact O-N 3.19Å
12	D	49.4	Very low	43.1	Very low	141 Å²	141	107.5 Å²	107.5	75%	0.754	60%	0.599	S	S	*	*	H	α-helix	trans	-70.4	-21	-179.1	-152.4	31.2	0	0	0	113
13	M	46.7	Very low	43.3	Very low	78 Å²	78	108.2 Å²	108.2	38%	0.384	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-2.5	177.9	-74.6	158.3	52.8	0	0	114.5	S9 E11 D15 W102	S9-M13 WeakPolarHBondContact O-CB 3.26Å; S9-M13 WeakPolarHBondContact O-CG 3.41Å; S9-M13 PolarHBondContact O-N 2.98Å; S9-M13 VanDerWaalsContact O-N 3.08Å; S9-M13 PolarHBondContact OG-SD 2.86Å; E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.14Å; M13-D15 VanDerWaalsContact C-N 3.28Å; M13-W102 HydrophobicContact CE-CH2 3.08Å; M13-W102 HydrophobicContact CE-CZ2 2.92Å; M13-W102 HydrophobicContact CE-CZ3 4.02Å
14	C	47.1	Very low	43.3	Very low	38 Å²	38	103.9 Å²	103.9	26%	0.257	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	10.6	176.4	-76.7	0	0	0	0	113.9	L10 E11 W16 C61	L10-C14 PolarHBondContact O-SG 3.02Å; E11-C14 PolarHBondContact O-N 3.19Å; C14-W16 PolarHBondContact O-N 3.23Å; C14-C61 HydrophobicContact CB-CB 4.01Å; C14-C61 WeakPolarHBondContact CB-SG 3.31Å; C14-C61 WeakPolarHBondContact SG-CB 3.18Å; C14-C61 CovalentContact SG-SG 2.05Å; C14-C61 PolarHBondContact SG-SG 3.42Å
15	D	41.5	Very low	43.3	Very low	144 Å²	144	106.7 Å²	106.7	77%	0.77	59%	0.589	S	S	*	*			trans	-75.6	84.3	161.2	-154.7	20.7	0	0	0	106.5	M13	M13-D15 VanDerWaalsContact C-N 3.28Å
16	W	36.3	Very low	43.5	Very low	203 Å²	203	102.7 Å²	102.7	77%	0.769	57%	0.569	S	S	*	*	S	Bend	trans	-160.4	124.7	155.2	-100	24.7	0	0	0	108.8	C14	C14-W16 PolarHBondContact O-N 3.23Å
17	S	42	Very low	43.4	Very low	97 Å²	97	101.7 Å²	101.7	68%	0.678	57%	0.57	S	S	*	*			trans	-52.5	150.8	-178.8	-43.2	0	0	0	0	111.2	V19	S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.13Å
18	P	40.2	Very low	43.5	Very low	116 Å²	116	109.6 Å²	109.6	75%	0.753	59%	0.59	S	S	*	*			trans	-56.8	99.3	176.9	23	-32.2	0	0	0	108.4	G20	P18-G20 PolarHBondContact O-N 3.46Å
19	V	41	Very low	44.3	Very low	86 Å²	86	103.7 Å²	103.7	52%	0.521	57%	0.567	S	S	.	*			trans	-56.5	114	170.7	156.4	0	0	0	0	104.2	S17 M21	S17-V19 VanDerWaalsContact C-N 3.32Å; S17-V19 PolarHBondContact O-N 3.13Å; V19-M21 PolarHBondContact O-N 3.39Å
20	G	39.6	Very low	45	Very low	69 Å²	69	113.4 Å²	113.4	71%	0.711	60%	0.6	S	S	*	*			trans	-50.4	102.9	-170.8	0	0	0	0	0	109.4	P18 D22	P18-G20 PolarHBondContact O-N 3.46Å; G20-D22 PolarHBondContact O-N 2.85Å
21	M	47.6	Very low	46.3	Very low	84 Å²	84	113.7 Å²	113.7	41%	0.414	60%	0.601	S	S	.	*			trans	-67.2	112.4	169.1	-64.4	178.2	-161.5	0	0	104.7	V19 T23 I60 V68 L72	V19-M21 PolarHBondContact O-N 3.39Å; M21-T23 VanDerWaalsContact C-N 3.28Å; M21-T23 PolarHBondContact O-N 3.43Å; M21-I60 HydrophobicContact CE-CD1 3.27Å; M21-I60 HydrophobicContact CE-CG1 3.28Å; M21-I60 HydrophobicContact SD-CD1 4.32Å; M21-V68 HydrophobicContact CE-CG2 4.49Å; M21-L72 HydrophobicContact CE-CD1 4.18Å; M21-L72 HydrophobicContact SD-CD1 3.74Å
22	D	42.3	Very low	47.6	Very low	145 Å²	145	108.2 Å²	108.2	78%	0.775	58%	0.578	S	S	*	*			trans	-50.4	114.3	148.2	-79.9	-33.2	0	0	0	103.7	G20 A24	G20-D22 PolarHBondContact O-N 2.85Å; D22-A24 HydrophobicContact CB-CB 4.12Å; D22-A24 PolarHBondContact O-N 3.25Å
23	T	43.2	Very low	49	Very low	118 Å²	118	109.3 Å²	109.3	72%	0.724	58%	0.578	S	S	*	*			trans	-66.8	64.1	167.1	-52.5	0	0	0	0	104.9	M21 M25	M21-T23 VanDerWaalsContact C-N 3.28Å; M21-T23 PolarHBondContact O-N 3.43Å; T23-M25 PolarHBondContact O-N 2.86Å
24	A	44	Very low	50.3	Low	68 Å²	68	106.3 Å²	106.3	56%	0.562	56%	0.563	S	S	*	*			trans	-74.6	79.1	-171.2	0	0	0	0	0	103.5	D22 I26	D22-A24 HydrophobicContact CB-CB 4.12Å; D22-A24 PolarHBondContact O-N 3.25Å; A24-I26 WeakPolarHBondContact O-CG1 3.36Å; A24-I26 PolarHBondContact O-N 3.48Å
25	M	41.1	Very low	51.8	Low	165 Å²	165	107.6 Å²	107.6	81%	0.813	57%	0.567	S	S	*	*			trans	20.8	66.3	158.6	-145.9	-177.7	-147.2	0	0	110.7	T23 T27	T23-M25 PolarHBondContact O-N 2.86Å; M25-T27 HydrophobicContact CG-CG2 4.48Å; M25-T27 PolarHBondContact O-N 3.1Å
26	I	47	Very low	53.2	Low	49 Å²	49	107.7 Å²	107.7	25%	0.251	56%	0.557	S	S	.	*			trans	-71.9	86.4	170.1	-57.2	-174.3	0	0	0	102.5	A24 T55 L72	A24-I26 WeakPolarHBondContact O-CG1 3.36Å; A24-I26 PolarHBondContact O-N 3.48Å; I26-T55 HydrophobicContact CD1-CG2 3.63Å; I26-L72 HydrophobicContact CD1-CD2 3.85Å
27	T	42	Very low	55.2	Low	82 Å²	82	103 Å²	103	50%	0.503	56%	0.556	S	S	.	*			trans	-46.5	148.2	174	44.4	0	0	0	0	107.4	M25 S29	M25-T27 HydrophobicContact CG-CG2 4.48Å; M25-T27 PolarHBondContact O-N 3.1Å; T27-S29 PolarHBondContact O-N 2.98Å; T27-S29 PolarHBondContact O-OG 2.83Å
28	R	45.3	Very low	57.1	Low	248 Å²	248	101.6 Å²	101.6	94%	0.936	54%	0.54	S	S	*	.	S	Bend	trans	-54.9	18.4	-172.3	-59.5	-177.9	172.8	161	-2.9	117.1	R30	R28-R30 PolarHBondContact O-N 3.45Å; R28-R30 VanDerWaalsContact O-N 3.13Å
29	S	55.9	Low	58.6	Low	42 Å²	42	97.3 Å²	97.3	29%	0.294	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-56.3	116.6	162.3	37.3	0	0	0	0	108.1	T27 L31 Y49 H53	T27-S29 PolarHBondContact O-N 2.98Å; T27-S29 PolarHBondContact O-OG 2.83Å; S29-L31 PolarHBondContact O-N 3.08Å; S29-Y49 WeakPolarHBondContact CB-OH 3.09Å; S29-Y49 PolarHBondContact O-OH 3.18Å; S29-Y49 PolarHBondContact OG-OH 3.33Å; S29-H53 PolarHBondContact OG-CE1 3.29Å; S29-H53 VanDerWaalsContact OG-CE1 3.3Å
30	R	66.7	Low	60.3	Low	232 Å²	232	98.2 Å²	98.2	88%	0.875	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-66.7	124.8	-175.4	-65.4	175	175.7	175.1	-3.1	107	R28	R28-R30 PolarHBondContact O-N 3.45Å; R28-R30 VanDerWaalsContact O-N 3.13Å
31	L	68.5	Low	62.3	Low	41 Å²	41	98.2 Å²	98.2	22%	0.215	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-49.7	150.1	166.7	-73	172.3	0	0	0	109.4	S29 E33 Y49	S29-L31 PolarHBondContact O-N 3.08Å; L31-E33 PolarHBondContact O-N 2.85Å; L31-Y49 HydrophobicContact CD2-CD1 4.01Å; L31-Y49 HydrophobicContact CD2-CE1 3.82Å
32	P	72.6	Confident	63.9	Low	26 Å²	26	94.5 Å²	94.5	17%	0.169	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-55.8	135	173.3	23.4	-32.1	0	0	0	110.3	W42 R45 R46	P32-W42 PolarHBondContact O-NE1 2.59Å; P32-R45 HydrophobicContact CB-CB 4.22Å; P32-R45 HydrophobicContact CG-CB 4.43Å; P32-R46 HydrophobicContact CG-CB 3.86Å; P32-R46 HydrophobicContact CG-CG 4.37Å
33	E	78	Confident	65.4	Low	164 Å²	164	87.8 Å²	87.8	77%	0.766	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-57	138.9	174.9	-173.1	172.3	-176	0	0	109.9	L31 D35 W42	L31-E33 PolarHBondContact O-N 2.85Å; E33-D35 PolarHBondContact O-N 3.32Å; E33-W42 PolarHBondContact O-NE1 3.03Å
34	F	75	Confident	67.1	Low	15 Å²	15	83.9 Å²	83.9	7%	0.066	42%	0.417	C	S	.	.			trans	-76.3	111.3	-174.7	178.9	-124.7	0	0	0	111.1	R36 F39 W42 E76 V77 F80 I97	F34-R36 HydrophobicContact CD1-CG 3.79Å; F34-R36 HydrophobicContact CE1-CG 3.59Å; F34-R36 HydrophobicContact CZ-CG 4.41Å; F34-F39 HydrophobicContact CD2-CE1 4.45Å; F34-F39 HydrophobicContact CE1-CE1 4.27Å; F34-F39 AromaticContact CE2-CD1 3.89Å; F34-F39 HydrophobicContact CE2-CD1 3.89Å; F34-F39 AromaticContact CE2-CE1 3.38Å; F34-F39 HydrophobicContact CE2-CE1 3.38Å; F34-F39 HydrophobicContact CE2-CZ 4.41Å; F34-F39 HydrophobicContact CZ-CD1 4.26Å; F34-F39 AromaticContact CZ-CE1 3.31Å; F34-F39 HydrophobicContact CZ-CE1 3.31Å; F34-F39 HydrophobicContact CZ-CZ 4.03Å; F34-W42 AromaticContact CD2-CD2 3.74Å; F34-W42 HydrophobicContact CD2-CD2 3.74Å; F34-W42 AromaticContact CD2-CE2 3.75Å; F34-W42 HydrophobicContact CD2-CE3 4.06Å; F34-W42 HydrophobicContact CD2-CG 4.16Å; F34-W42 HydrophobicContact CD2-CH2 4.4Å; F34-W42 HydrophobicContact CD2-CZ2 4.11Å; F34-W42 HydrophobicContact CD2-CZ3 4.36Å; F34-W42 HydrophobicContact CE2-CD2 4.3Å; F34-W42 HydrophobicContact CE2-CE3 4.16Å; F34-W42 HydrophobicContact CE2-CZ3 4.29Å; F34-E76 HydrophobicContact CB-CB 3.83Å; F34-E76 VanDerWaalsContact CB-OE2 3.27Å; F34-E76 WeakPolarHBondContact CB-OE2 3.35Å; F34-E76 HydrophobicContact CD1-CB 3.84Å; F34-E76 HydrophobicContact CG-CB 4.21Å; F34-E76 PolarHBondContact N-OE2 2.8Å; F34-V77 HydrophobicContact CB-CG2 4.04Å; F34-V77 HydrophobicContact CD1-CG2 4.33Å; F34-V77 HydrophobicContact CD2-CB 4.36Å; F34-V77 HydrophobicContact CD2-CG2 3.2Å; F34-V77 HydrophobicContact CE2-CB 4.23Å; F34-V77 HydrophobicContact CE2-CG1 4.47Å; F34-V77 HydrophobicContact CE2-CG2 3.45Å; F34-V77 VanDerWaalsContact CE2-CG2 3.45Å; F34-V77 HydrophobicContact CG-CG2 3.64Å; F34-V77 HydrophobicContact CZ-CB 4.46Å; F34-V77 HydrophobicContact CZ-CG2 4.07Å; F34-F80 HydrophobicContact CE1-CB 3.67Å; F34-F80 HydrophobicContact CE1-CD1 4.46Å; F34-F80 HydrophobicContact CE1-CD2 4.02Å; F34-F80 AromaticContact CE1-CG 3.8Å; F34-F80 HydrophobicContact CE1-CG 3.8Å; F34-F80 HydrophobicContact CZ-CB 3.84Å; F34-F80 AromaticContact CZ-CD1 3.96Å; F34-F80 HydrophobicContact CZ-CD1 3.96Å; F34-F80 HydrophobicContact CZ-CD2 4.26Å; F34-F80 AromaticContact CZ-CG 3.76Å; F34-F80 HydrophobicContact CZ-CG 3.76Å; F34-I97 HydrophobicContact CE2-CD1 4.12Å; F34-I97 HydrophobicContact CZ-CD1 4.2Å
35	D	77.6	Confident	68.9	Low	65 Å²	65	88 Å²	88	35%	0.348	42%	0.418	S	S	.	.			trans	-91.2	111.5	174.7	-167.1	-16.9	0	0	0	110.2	E33 S37 W42	E33-D35 PolarHBondContact O-N 3.32Å; D35-S37 VanDerWaalsContact C-N 3.26Å; D35-S37 PolarHBondContact O-N 3.22Å; D35-S37 WeakPolarHBondContact OD1-CA 3.47Å; D35-S37 WeakPolarHBondContact OD1-CB 3.12Å; D35-S37 PolarHBondContact OD1-N 3.06Å; D35-S37 PolarHBondContact OD1-OG 3.36Å; D35-S37 PolarHBondContact OD2-OG 3.48Å; D35-W42 HydrophobicContact CB-CB 4.47Å
36	R	71.8	Confident	70.6	Confident	146 Å²	146	80.2 Å²	80.2	55%	0.551	38%	0.379	S	S	*	.	S	Bend	trans	-78.5	-9.7	177.3	-63	178.9	-176.4	175	-0.4	113.4	F34 F39	F34-R36 HydrophobicContact CD1-CG 3.79Å; F34-R36 HydrophobicContact CE1-CG 3.59Å; F34-R36 HydrophobicContact CZ-CG 4.41Å; R36-F39 HydrophobicContact CB-CE2 4.44Å; R36-F39 HydrophobicContact CB-CZ 4.08Å; R36-F39 HydrophobicContact CG-CZ 4.35Å; R36-F39 WeakPolarHBondContact O-CE2 3.22Å
37	S	78.5	Confident	71.9	Confident	106 Å²	106	78.4 Å²	78.4	74%	0.741	37%	0.37	S	S	*	.	S	Bend	trans	-90.3	-29.6	179.6	70.8	0	0	0	0	112.4	D35	D35-S37 VanDerWaalsContact C-N 3.26Å; D35-S37 PolarHBondContact O-N 3.22Å; D35-S37 WeakPolarHBondContact OD1-CA 3.47Å; D35-S37 WeakPolarHBondContact OD1-CB 3.12Å; D35-S37 PolarHBondContact OD1-N 3.06Å; D35-S37 PolarHBondContact OD1-OG 3.36Å; D35-S37 PolarHBondContact OD2-OG 3.48Å
38	D	80.4	Confident	73.5	Confident	67 Å²	67	80.6 Å²	80.6	36%	0.358	37%	0.374	S	S	.	.			trans	-138.7	84.1	-178.5	-166.9	-16.7	0	0	0	111.2	L41 W42	D38-L41 HydrophobicContact CB-CB 4.04Å; D38-L41 PolarHBondContact O-N 3.3Å; D38-L41 VanDerWaalsContact OD1-CB 3.29Å; D38-L41 WeakPolarHBondContact OD1-CB 3.33Å; D38-L41 PolarHBondContact OD1-N 2.93Å; D38-L41 WeakPolarHBondContact OD2-CB 3.33Å; D38-W42 PolarHBondContact O-N 3.19Å
39	F	71.7	Confident	75	Confident	26 Å²	26	70.2 Å²	70.2	11%	0.114	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-38.8	-178	-75.7	-82.6	0	0	0	113	F34 R36 L41 W42 F43 F80 I93 I97	F34-F39 HydrophobicContact CD2-CE1 4.45Å; F34-F39 HydrophobicContact CE1-CE1 4.27Å; F34-F39 AromaticContact CE2-CD1 3.89Å; F34-F39 HydrophobicContact CE2-CD1 3.89Å; F34-F39 AromaticContact CE2-CE1 3.38Å; F34-F39 HydrophobicContact CE2-CE1 3.38Å; F34-F39 HydrophobicContact CE2-CZ 4.41Å; F34-F39 HydrophobicContact CZ-CD1 4.26Å; F34-F39 AromaticContact CZ-CE1 3.31Å; F34-F39 HydrophobicContact CZ-CE1 3.31Å; F34-F39 HydrophobicContact CZ-CZ 4.03Å; R36-F39 HydrophobicContact CB-CE2 4.44Å; R36-F39 HydrophobicContact CB-CZ 4.08Å; R36-F39 HydrophobicContact CG-CZ 4.35Å; R36-F39 WeakPolarHBondContact O-CE2 3.22Å; F39-L41 VanDerWaalsContact C-N 3.35Å; F39-W42 PolarHBondContact O-N 2.93Å; F39-F43 WeakPolarHBondContact O-CB 3.29Å; F39-F43 VanDerWaalsContact O-CD2 3.23Å; F39-F43 WeakPolarHBondContact O-CD2 3.48Å; F39-F43 PolarHBondContact O-N 3.44Å; F39-F80 HydrophobicContact CE1-CE1 4.21Å; F39-F80 HydrophobicContact CE1-CZ 4.31Å; F39-F80 HydrophobicContact CZ-CE1 4.1Å; F39-F80 HydrophobicContact CZ-CE2 4.14Å; F39-F80 AromaticContact CZ-CZ 3.74Å; F39-F80 HydrophobicContact CZ-CZ 3.74Å; F39-I93 HydrophobicContact CB-CG2 4.42Å; F39-I93 HydrophobicContact CD1-CG2 3.23Å; F39-I93 HydrophobicContact CD2-CB 4.49Å; F39-I93 HydrophobicContact CD2-CD1 3.82Å; F39-I93 HydrophobicContact CD2-CG1 4.01Å; F39-I93 HydrophobicContact CD2-CG2 3.65Å; F39-I93 HydrophobicContact CE1-CB 4.47Å; F39-I93 HydrophobicContact CE1-CG2 3.14Å; F39-I93 HydrophobicContact CE2-CB 4.34Å; F39-I93 HydrophobicContact CE2-CD1 3.35Å; F39-I93 HydrophobicContact CE2-CG1 3.97Å; F39-I93 HydrophobicContact CE2-CG2 3.6Å; F39-I93 HydrophobicContact CG-CG2 3.48Å; F39-I93 VanDerWaalsContact CG-CG2 3.48Å; F39-I93 HydrophobicContact CZ-CB 4.35Å; F39-I93 HydrophobicContact CZ-CD1 3.94Å; F39-I93 HydrophobicContact CZ-CG1 4.46Å; F39-I93 HydrophobicContact CZ-CG2 3.37Å; F39-I97 HydrophobicContact CD1-CD1 4.1Å; F39-I97 HydrophobicContact CD1-CG1 4.5Å; F39-I97 HydrophobicContact CE1-CD1 4.02Å
40	E	77.9	Confident	75.7	Confident	104 Å²	104	68.2 Å²	68.2	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-46.3	178	-67.3	-62	146.1	0	0	110.5	F43 A44	E40-F43 WeakPolarHBondContact O-CB 3.4Å; E40-F43 PolarHBondContact O-N 3.29Å; E40-A44 PolarHBondContact O-N 2.7Å
41	L	80.1	Confident	76	Confident	69 Å²	69	63.1 Å²	63.1	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.4	-177.8	62.8	0	0	0	112	D38 F39 F43 A44 R45	D38-L41 HydrophobicContact CB-CB 4.04Å; D38-L41 PolarHBondContact O-N 3.3Å; D38-L41 VanDerWaalsContact OD1-CB 3.29Å; D38-L41 WeakPolarHBondContact OD1-CB 3.33Å; D38-L41 PolarHBondContact OD1-N 2.93Å; D38-L41 WeakPolarHBondContact OD2-CB 3.33Å; F39-L41 VanDerWaalsContact C-N 3.35Å; L41-F43 VanDerWaalsContact C-N 3.29Å; L41-F43 PolarHBondContact O-N 3.13Å; L41-A44 PolarHBondContact O-N 3.5Å; L41-R45 WeakPolarHBondContact O-CB 3.1Å; L41-R45 WeakPolarHBondContact O-CG 3.11Å; L41-R45 PolarHBondContact O-N 3.26Å
42	W	81.6	Confident	76.2	Confident	6 Å²	6	70.5 Å²	70.5	2%	0.023	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-43.6	174.6	176.3	73.5	0	0	0	111.2	P32 E33 F34 D35 D38 F39 R45 R46 V77 I97	P32-W42 PolarHBondContact O-NE1 2.59Å; E33-W42 PolarHBondContact O-NE1 3.03Å; F34-W42 AromaticContact CD2-CD2 3.74Å; F34-W42 HydrophobicContact CD2-CD2 3.74Å; F34-W42 AromaticContact CD2-CE2 3.75Å; F34-W42 HydrophobicContact CD2-CE3 4.06Å; F34-W42 HydrophobicContact CD2-CG 4.16Å; F34-W42 HydrophobicContact CD2-CH2 4.4Å; F34-W42 HydrophobicContact CD2-CZ2 4.11Å; F34-W42 HydrophobicContact CD2-CZ3 4.36Å; F34-W42 HydrophobicContact CE2-CD2 4.3Å; F34-W42 HydrophobicContact CE2-CE3 4.16Å; F34-W42 HydrophobicContact CE2-CZ3 4.29Å; D35-W42 HydrophobicContact CB-CB 4.47Å; D38-W42 PolarHBondContact O-N 3.19Å; F39-W42 PolarHBondContact O-N 2.93Å; W42-R45 PolarHBondContact O-N 3.09Å; W42-R46 VanDerWaalsContact CH2-CD 3.5Å; W42-R46 WeakPolarHBondContact O-CB 3.33Å; W42-R46 PolarHBondContact O-N 3.36Å; W42-V77 HydrophobicContact CH2-CB 4.17Å; W42-V77 HydrophobicContact CH2-CG1 3.92Å; W42-V77 HydrophobicContact CH2-CG2 3.22Å; W42-V77 HydrophobicContact CZ2-CB 4.45Å; W42-V77 HydrophobicContact CZ2-CG2 3.19Å; W42-V77 HydrophobicContact CZ3-CG1 4.45Å; W42-V77 HydrophobicContact CZ3-CG2 4.02Å; W42-I97 HydrophobicContact CZ3-CG1 4.4Å
43	F	75.1	Confident	76.2	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-51.2	175	-95.7	-64.9	0	0	0	112.5	F39 E40 L41 R45 R46 E47 I97 H100	F39-F43 WeakPolarHBondContact O-CB 3.29Å; F39-F43 VanDerWaalsContact O-CD2 3.23Å; F39-F43 WeakPolarHBondContact O-CD2 3.48Å; F39-F43 PolarHBondContact O-N 3.44Å; E40-F43 WeakPolarHBondContact O-CB 3.4Å; E40-F43 PolarHBondContact O-N 3.29Å; L41-F43 VanDerWaalsContact C-N 3.29Å; L41-F43 PolarHBondContact O-N 3.13Å; F43-R45 VanDerWaalsContact C-N 3.29Å; F43-R45 PolarHBondContact O-N 2.94Å; F43-R46 CarbonylContact O-C 3.59Å; F43-R46 PolarHBondContact O-N 3.49Å; F43-R46 VanDerWaalsContact O-N 3.1Å; F43-E47 WeakPolarHBondContact O-CB 3.29Å; F43-E47 PolarHBondContact O-N 3.31Å; F43-I97 HydrophobicContact CE2-CB 3.99Å; F43-I97 HydrophobicContact CE2-CG1 3.36Å; F43-I97 HydrophobicContact CZ-CB 3.63Å; F43-I97 HydrophobicContact CZ-CG1 3.44Å; F43-I97 VanDerWaalsContact CZ-CG1 3.44Å; F43-I97 HydrophobicContact CZ-CG2 3.81Å; F43-H100 HydrophobicContact CD1-CB 3.86Å; F43-H100 HydrophobicContact CE1-CB 3.58Å; F43-H100 HydrophobicContact CZ-CB 4.02Å
44	A	78.7	Confident	75.5	Confident	37 Å²	37	71 Å²	71	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-59	-41.7	179.7	0	0	0	0	0	111.8	E40 L41 E47 H48 L112	E40-A44 PolarHBondContact O-N 2.7Å; L41-A44 PolarHBondContact O-N 3.5Å; A44-E47 PolarHBondContact O-N 3.48Å; A44-H48 VanDerWaalsContact O-CB 3.29Å; A44-H48 WeakPolarHBondContact O-CB 3.43Å; A44-H48 PolarHBondContact O-N 2.87Å; A44-L112 HydrophobicContact CB-CD2 4.48Å
45	R	81.9	Confident	75	Confident	155 Å²	155	71 Å²	71	59%	0.585	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-41	175.8	-73.8	178.4	-177.5	-150.8	2.7	112	P32 L41 W42 F43 Y49	P32-R45 HydrophobicContact CB-CB 4.22Å; P32-R45 HydrophobicContact CG-CB 4.43Å; L41-R45 WeakPolarHBondContact O-CB 3.1Å; L41-R45 WeakPolarHBondContact O-CG 3.11Å; L41-R45 PolarHBondContact O-N 3.26Å; W42-R45 PolarHBondContact O-N 3.09Å; F43-R45 VanDerWaalsContact C-N 3.29Å; F43-R45 PolarHBondContact O-N 2.94Å; R45-Y49 WeakPolarHBondContact O-CB 3.39Å; R45-Y49 PolarHBondContact O-N 3.02Å
46	R	75.7	Confident	74.2	Confident	1 Å²	1	73.9 Å²	73.9	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-44.2	178	-173.7	-177.9	176.8	-141.3	-2.2	111.5	P32 W42 F43 H48 Y49 S50 L72	P32-R46 HydrophobicContact CG-CB 3.86Å; P32-R46 HydrophobicContact CG-CG 4.37Å; W42-R46 VanDerWaalsContact CH2-CD 3.5Å; W42-R46 WeakPolarHBondContact O-CB 3.33Å; W42-R46 PolarHBondContact O-N 3.36Å; F43-R46 CarbonylContact O-C 3.59Å; F43-R46 PolarHBondContact O-N 3.49Å; F43-R46 VanDerWaalsContact O-N 3.1Å; R46-H48 PolarHBondContact O-N 2.93Å; R46-Y49 WeakPolarHBondContact O-CB 3.41Å; R46-Y49 PolarHBondContact O-N 3.27Å; R46-S50 PolarHBondContact O-N 2.95Å; R46-S50 PolarHBondContact O-OG 2.95Å; R46-S50 VanDerWaalsContact O-OG 3.05Å; R46-L72 PolarHBondContact NH2-O 2.66Å
47	E	74.4	Confident	73.4	Confident	11 Å²	11	67.2 Å²	67.2	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-55.5	-52.4	174.7	-164.5	67.1	-127.6	0	0	110.7	F43 A44 Y49 S50 M51 R108 L112	F43-E47 WeakPolarHBondContact O-CB 3.29Å; F43-E47 PolarHBondContact O-N 3.31Å; A44-E47 PolarHBondContact O-N 3.48Å; E47-Y49 VanDerWaalsContact C-N 3.27Å; E47-Y49 PolarHBondContact O-N 2.8Å; E47-S50 PolarHBondContact O-N 2.7Å; E47-S50 VanDerWaalsContact O-N 3.08Å; E47-M51 HydrophobicContact CG-SD 4.38Å; E47-M51 WeakPolarHBondContact O-CG 3.33Å; E47-M51 PolarHBondContact O-N 3.28Å; E47-R108 VanDerWaalsContact CD-NH2 3.26Å; E47-R108 IonicContact OE1-CZ 2.95Å; E47-R108 IonicContact OE1-NE 3.48Å; E47-R108 PolarHBondContact OE1-NE 3.16Å; E47-R108 IonicContact OE1-NH1 2.7Å; E47-R108 PolarHBondContact OE1-NH1 3.01Å; E47-R108 IonicContact OE1-NH2 3.29Å; E47-R108 PolarHBondContact OE1-NH2 3.36Å; E47-R108 IonicContact OE2-CZ 2.76Å; E47-R108 IonicContact OE2-NE 2.93Å; E47-R108 PolarHBondContact OE2-NE 3.03Å; E47-R108 IonicContact OE2-NH1 3.44Å; E47-R108 PolarHBondContact OE2-NH1 3.27Å; E47-R108 IonicContact OE2-NH2 2.59Å; E47-R108 PolarHBondContact OE2-NH2 2.62Å; E47-L112 HydrophobicContact CB-CD1 4.47Å; E47-L112 HydrophobicContact CG-CD1 4.13Å
48	H	76.7	Confident	72.1	Confident	128 Å²	128	67.9 Å²	67.9	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-59.2	-40.4	179.2	178.2	-91.6	0	0	0	111.9	A44 R46 R52	A44-H48 VanDerWaalsContact O-CB 3.29Å; A44-H48 WeakPolarHBondContact O-CB 3.43Å; A44-H48 PolarHBondContact O-N 2.87Å; R46-H48 PolarHBondContact O-N 2.93Å; H48-R52 WeakPolarHBondContact O-CB 3.34Å; H48-R52 PolarHBondContact O-N 3.02Å
49	Y	76.4	Confident	70.6	Confident	29 Å²	29	66.7 Å²	66.7	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-49.2	173.3	177.9	-87.1	0	0	0	111.3	S29 L31 R45 R46 E47 M51 R52 H53	S29-Y49 WeakPolarHBondContact CB-OH 3.09Å; S29-Y49 PolarHBondContact O-OH 3.18Å; S29-Y49 PolarHBondContact OG-OH 3.33Å; L31-Y49 HydrophobicContact CD2-CD1 4.01Å; L31-Y49 HydrophobicContact CD2-CE1 3.82Å; R45-Y49 WeakPolarHBondContact O-CB 3.39Å; R45-Y49 PolarHBondContact O-N 3.02Å; R46-Y49 WeakPolarHBondContact O-CB 3.41Å; R46-Y49 PolarHBondContact O-N 3.27Å; E47-Y49 VanDerWaalsContact C-N 3.27Å; E47-Y49 PolarHBondContact O-N 2.8Å; Y49-M51 PolarHBondContact O-N 3.08Å; Y49-R52 WeakPolarHBondContact O-CB 3.49Å; Y49-R52 PolarHBondContact O-N 3.46Å; Y49-R52 VanDerWaalsContact O-N 3.13Å; Y49-H53 AromaticContact CD1-CD2 3.9Å; Y49-H53 AromaticContact CD2-CD2 3.5Å; Y49-H53 AromaticContact CD2-NE2 3.7Å; Y49-H53 HydrophobicContact CE1-CB 4.41Å; Y49-H53 AromaticContact CE1-CD2 3.65Å; Y49-H53 AromaticContact CE2-CD2 3.23Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.32Å; Y49-H53 AromaticContact CE2-NE2 3.18Å; Y49-H53 WeakPolarHBondContact CE2-NE2 3.38Å; Y49-H53 AromaticContact CG-CD2 3.83Å; Y49-H53 AromaticContact CZ-CD2 3.3Å; Y49-H53 AromaticContact CZ-CG 3.93Å; Y49-H53 AromaticContact CZ-NE2 3.57Å; Y49-H53 PolarHBondContact O-CD2 3.06Å; Y49-H53 PolarHBondContact O-N 3Å
50	S	71	Confident	69.7	Low	1 Å²	1	65.8 Å²	65.8	1%	0.007	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-39.5	-178.4	-60.2	0	0	0	0	112.6	R46 E47 R52 H53 N54 T55 Y57	R46-S50 PolarHBondContact O-N 2.95Å; R46-S50 PolarHBondContact O-OG 2.95Å; R46-S50 VanDerWaalsContact O-OG 3.05Å; E47-S50 PolarHBondContact O-N 2.7Å; E47-S50 VanDerWaalsContact O-N 3.08Å; S50-R52 PolarHBondContact O-N 2.05Å; S50-H53 CarbonylContact O-C 3.6Å; S50-H53 PolarHBondContact O-N 3.34Å; S50-N54 PolarHBondContact O-N 3.47Å; S50-T55 PolarHBondContact O-N 3.38Å; S50-Y57 VanDerWaalsContact OG-CE2 3.23Å; S50-Y57 WeakPolarHBondContact OG-CE2 3.29Å; S50-Y57 PolarHBondContact OG-OH 3.1Å
51	M	71.8	Confident	68.5	Low	124 Å²	124	61.4 Å²	61.4	61%	0.611	30%	0.295	S	S	*	.	H	α-helix	trans	-58.1	-47.3	170.2	-71	175.7	71.1	0	0	111.5	E47 Y49 H53 N54	E47-M51 HydrophobicContact CG-SD 4.38Å; E47-M51 WeakPolarHBondContact O-CG 3.33Å; E47-M51 PolarHBondContact O-N 3.28Å; Y49-M51 PolarHBondContact O-N 3.08Å; M51-H53 VanDerWaalsContact C-N 3.27Å; M51-H53 PolarHBondContact O-N 3.01Å; M51-N54 PolarHBondContact O-N 3.36Å
52	R	73.9	Confident	67.1	Low	197 Å²	197	58.4 Å²	58.4	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-63.8	-34.2	179.9	-174.8	177.3	-175.9	171	3	112.6	H48 Y49 S50	H48-R52 WeakPolarHBondContact O-CB 3.34Å; H48-R52 PolarHBondContact O-N 3.02Å; Y49-R52 WeakPolarHBondContact O-CB 3.49Å; Y49-R52 PolarHBondContact O-N 3.46Å; Y49-R52 VanDerWaalsContact O-N 3.13Å; S50-R52 PolarHBondContact O-N 2.05Å
53	H	71.8	Confident	65.7	Low	69 Å²	69	64 Å²	64	32%	0.319	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9.3	-178.7	-71.1	-79.7	0	0	0	113.2	S29 Y49 S50 M51 T55	S29-H53 PolarHBondContact OG-CE1 3.29Å; S29-H53 VanDerWaalsContact OG-CE1 3.3Å; Y49-H53 AromaticContact CD1-CD2 3.9Å; Y49-H53 AromaticContact CD2-CD2 3.5Å; Y49-H53 AromaticContact CD2-NE2 3.7Å; Y49-H53 HydrophobicContact CE1-CB 4.41Å; Y49-H53 AromaticContact CE1-CD2 3.65Å; Y49-H53 AromaticContact CE2-CD2 3.23Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.32Å; Y49-H53 AromaticContact CE2-NE2 3.18Å; Y49-H53 WeakPolarHBondContact CE2-NE2 3.38Å; Y49-H53 AromaticContact CG-CD2 3.83Å; Y49-H53 AromaticContact CZ-CD2 3.3Å; Y49-H53 AromaticContact CZ-CG 3.93Å; Y49-H53 AromaticContact CZ-NE2 3.57Å; Y49-H53 PolarHBondContact O-CD2 3.06Å; Y49-H53 PolarHBondContact O-N 3Å; S50-H53 CarbonylContact O-C 3.6Å; S50-H53 PolarHBondContact O-N 3.34Å; M51-H53 VanDerWaalsContact C-N 3.27Å; M51-H53 PolarHBondContact O-N 3.01Å; H53-T55 PolarHBondContact O-N 3.49Å; H53-T55 VanDerWaalsContact O-N 3.09Å; H53-T55 PolarHBondContact O-OG1 3.03Å
54	N	63.6	Low	64.7	Low	131 Å²	131	66.5 Å²	66.5	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	34.9	-177.2	-165.2	50.1	0	0	0	113.1	S50 M51 K56	S50-N54 PolarHBondContact O-N 3.47Å; M51-N54 PolarHBondContact O-N 3.36Å; N54-K56 PolarHBondContact O-N 2.98Å
55	T	63.5	Low	63.3	Low	16 Å²	16	65.4 Å²	65.4	10%	0.098	30%	0.304	C	S	.	.			trans	-85.3	102.7	179.4	-57	0	0	0	0	108.2	I26 S50 H53 Y57 L72	I26-T55 HydrophobicContact CD1-CG2 3.63Å; S50-T55 PolarHBondContact O-N 3.38Å; H53-T55 PolarHBondContact O-N 3.49Å; H53-T55 VanDerWaalsContact O-N 3.09Å; H53-T55 PolarHBondContact O-OG1 3.03Å; T55-Y57 HydrophobicContact CG2-CE1 4.48Å; T55-Y57 HydrophobicContact CG2-CE2 4.23Å; T55-L72 HydrophobicContact CG2-CD2 3.39Å
56	K	60.8	Low	61.9	Low	124 Å²	124	64.2 Å²	64.2	54%	0.539	30%	0.301	S	S	.	.			trans	-83.2	136.5	174.5	-63.2	-159.9	175.4	-161.5	0	110.5	N54	N54-K56 PolarHBondContact O-N 2.98Å
57	Y	56.3	Low	60.7	Low	6 Å²	6	68.7 Å²	68.7	2%	0.024	33%	0.332	C	S	.	.			trans	-105.1	9.7	170.9	-59.5	-90.5	0	0	0	112.5	S50 T55 G59 I60 L72 L101 R108	S50-Y57 VanDerWaalsContact OG-CE2 3.23Å; S50-Y57 WeakPolarHBondContact OG-CE2 3.29Å; S50-Y57 PolarHBondContact OG-OH 3.1Å; T55-Y57 HydrophobicContact CG2-CE1 4.48Å; T55-Y57 HydrophobicContact CG2-CE2 4.23Å; Y57-G59 PolarHBondContact O-N 3.34Å; Y57-I60 HydrophobicContact CD1-CD1 4.02Å; Y57-I60 WeakPolarHBondContact O-CG1 3.41Å; Y57-I60 PolarHBondContact O-N 3.39Å; Y57-L72 HydrophobicContact CD1-CB 4.45Å; Y57-L72 HydrophobicContact CD1-CD1 4.27Å; Y57-L72 HydrophobicContact CD1-CD2 4.05Å; Y57-L72 HydrophobicContact CD1-CG 4.47Å; Y57-L72 HydrophobicContact CE1-CB 3.85Å; Y57-L72 HydrophobicContact CE1-CD1 4.37Å; Y57-L72 HydrophobicContact CE1-CD2 3.51Å; Y57-L72 HydrophobicContact CE1-CG 4.07Å; Y57-L72 PolarHBondContact OH-O 2.94Å; Y57-L101 HydrophobicContact CD1-CD2 3.83Å; Y57-L101 HydrophobicContact CE1-CD2 4.05Å; Y57-L101 HydrophobicContact CG-CD2 4.27Å; Y57-R108 VanDerWaalsContact CD2-NH1 3.26Å
58	E	49.9	Very low	59.6	Low	120 Å²	120	69.2 Å²	69.2	56%	0.561	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125	-175.8	-167.8	170	-164.4	0	0	111
59	G	49.5	Very low	58.3	Low	42 Å²	42	66.8 Å²	66.8	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	10.2	176.2	0	0	0	0	0	115.8	Y57 C61	Y57-G59 PolarHBondContact O-N 3.34Å; G59-C61 PolarHBondContact O-N 2.9Å
60	I	52.5	Low	57.1	Low	8 Å²	8	70.9 Å²	70.9	4%	0.041	35%	0.353	C	S	.	.			trans	-82.5	108.6	175.5	-58	-179.8	0	0	0	109.7	M21 Y57 L65 V68 L72	M21-I60 HydrophobicContact CE-CD1 3.27Å; M21-I60 HydrophobicContact CE-CG1 3.28Å; M21-I60 HydrophobicContact SD-CD1 4.32Å; Y57-I60 HydrophobicContact CD1-CD1 4.02Å; Y57-I60 WeakPolarHBondContact O-CG1 3.41Å; Y57-I60 PolarHBondContact O-N 3.39Å; I60-L65 HydrophobicContact CG2-CD2 3.5Å; I60-L65 HydrophobicContact CG2-CG 4.32Å; I60-V68 HydrophobicContact CD1-CG2 4.46Å; I60-V68 HydrophobicContact CG2-CG2 3.34Å; I60-L72 HydrophobicContact CD1-CD1 3.48Å; I60-L72 VanDerWaalsContact CD1-CD1 3.48Å
61	C	53.6	Low	56.4	Low	11 Å²	11	73.3 Å²	73.3	7%	0.074	36%	0.364	C	S	.	.			trans	-60.9	134.5	167.5	171	0	0	0	0	108.8	C14 G59 W63 D64 L65	C14-C61 HydrophobicContact CB-CB 4.01Å; C14-C61 WeakPolarHBondContact CB-SG 3.31Å; C14-C61 WeakPolarHBondContact SG-CB 3.18Å; C14-C61 CovalentContact SG-SG 2.05Å; C14-C61 PolarHBondContact SG-SG 3.42Å; G59-C61 PolarHBondContact O-N 2.9Å; C61-W63 PolarHBondContact O-N 2.6Å; C61-W63 VanDerWaalsContact SG-CB 3.58Å; C61-W63 PolarHBondContact SG-N 3.26Å; C61-W63 VanDerWaalsContact SG-N 3.36Å; C61-D64 HydrophobicContact CB-CB 4.09Å; C61-D64 WeakPolarHBondContact CB-OD2 3.23Å; C61-D64 CarbonylContact O-C 3.47Å; C61-D64 VanDerWaalsContact O-CA 3.29Å; C61-D64 WeakPolarHBondContact O-CA 3.23Å; C61-D64 VanDerWaalsContact O-CB 3.28Å; C61-D64 WeakPolarHBondContact O-CB 3.07Å; C61-D64 PolarHBondContact O-N 2.83Å; C61-L65 PolarHBondContact O-N 3.3Å; C61-L65 VanDerWaalsContact O-N 3.17Å
62	P	50.5	Low	55.6	Low	7 Å²	7	67.6 Å²	67.6	5%	0.045	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.2	174.3	-31.6	38.4	0	0	0	114.7	D64 L65 M98 W102	P62-D64 VanDerWaalsContact C-N 3.27Å; P62-L65 HydrophobicContact CB-CD1 4.07Å; P62-L65 WeakPolarHBondContact O-CB 3.43Å; P62-L65 WeakPolarHBondContact O-CD1 3.37Å; P62-L65 WeakPolarHBondContact O-CG 3.46Å; P62-L65 PolarHBondContact O-N 2.86Å; P62-M98 HydrophobicContact CB-CB 4.28Å; P62-M98 HydrophobicContact CB-CG 3.29Å; P62-M98 HydrophobicContact CB-SD 3.29Å; P62-M98 WeakPolarHBondContact CB-SD 3.47Å; P62-M98 HydrophobicContact CG-CG 3.39Å; P62-M98 HydrophobicContact CG-SD 3.88Å; P62-W102 HydrophobicContact CG-CB 4.02Å; P62-W102 HydrophobicContact CG-CG 4.41Å
63	W	51.5	Low	55	Low	122 Å²	122	58.7 Å²	58.7	46%	0.462	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-71.3	-24.6	172.5	-57.7	113.1	0	0	0	112.3	C61 L65 Y66	C61-W63 PolarHBondContact O-N 2.6Å; C61-W63 VanDerWaalsContact SG-CB 3.58Å; C61-W63 PolarHBondContact SG-N 3.26Å; C61-W63 VanDerWaalsContact SG-N 3.36Å; W63-L65 PolarHBondContact O-N 2.77Å; W63-Y66 HydrophobicContact CE3-CD2 4.47Å; W63-Y66 AromaticContact CE3-CE2 3.61Å; W63-Y66 HydrophobicContact CE3-CE2 3.61Å; W63-Y66 HydrophobicContact CZ3-CE2 4.1Å; W63-Y66 WeakPolarHBondContact O-CD2 3.23Å
64	D	54.4	Low	54.8	Low	57 Å²	57	56.3 Å²	56.3	31%	0.305	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-75.2	-11.2	165.8	-71.6	-35.6	0	0	0	112.1	C61 P62 Y66 S67 V68	C61-D64 HydrophobicContact CB-CB 4.09Å; C61-D64 WeakPolarHBondContact CB-OD2 3.23Å; C61-D64 CarbonylContact O-C 3.47Å; C61-D64 VanDerWaalsContact O-CA 3.29Å; C61-D64 WeakPolarHBondContact O-CA 3.23Å; C61-D64 VanDerWaalsContact O-CB 3.28Å; C61-D64 WeakPolarHBondContact O-CB 3.07Å; C61-D64 PolarHBondContact O-N 2.83Å; P62-D64 VanDerWaalsContact C-N 3.27Å; D64-Y66 PolarHBondContact O-N 2.87Å; D64-S67 CarbonylContact O-C 3.35Å; D64-S67 VanDerWaalsContact O-CA 3.29Å; D64-S67 WeakPolarHBondContact O-CA 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 3.49Å; D64-V68 HydrophobicContact CB-CG2 4.38Å; D64-V68 WeakPolarHBondContact O-CG2 3.45Å; D64-V68 PolarHBondContact O-N 3.05Å
65	L	50.5	Low	54.9	Low	14 Å²	14	55.7 Å²	55.7	7%	0.073	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.8	-21	173	-57.3	167.3	0	0	0	112.3	I60 C61 P62 W63 S67 V68 I73 L101	I60-L65 HydrophobicContact CG2-CD2 3.5Å; I60-L65 HydrophobicContact CG2-CG 4.32Å; C61-L65 PolarHBondContact O-N 3.3Å; C61-L65 VanDerWaalsContact O-N 3.17Å; P62-L65 HydrophobicContact CB-CD1 4.07Å; P62-L65 WeakPolarHBondContact O-CB 3.43Å; P62-L65 WeakPolarHBondContact O-CD1 3.37Å; P62-L65 WeakPolarHBondContact O-CG 3.46Å; P62-L65 PolarHBondContact O-N 2.86Å; W63-L65 PolarHBondContact O-N 2.77Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-V68 HydrophobicContact CD2-CB 4.42Å; L65-V68 HydrophobicContact CD2-CG2 4.14Å; L65-I73 HydrophobicContact CB-CD1 3.72Å; L65-I73 HydrophobicContact CD1-CD1 4.03Å; L65-I73 HydrophobicContact CD2-CD1 3.32Å; L65-I73 HydrophobicContact CD2-CG1 4.34Å; L65-I73 HydrophobicContact CG-CD1 3.83Å; L65-L101 HydrophobicContact CD1-CD1 3.88Å; L65-L101 HydrophobicContact CD2-CD1 4.21Å
66	Y	50.8	Low	55	Low	131 Å²	131	59 Å²	59	51%	0.514	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.4	-32.9	169.5	-65.7	-105.5	0	0	0	112.1	W63 D64 L82	W63-Y66 HydrophobicContact CE3-CD2 4.47Å; W63-Y66 AromaticContact CE3-CE2 3.61Å; W63-Y66 HydrophobicContact CE3-CE2 3.61Å; W63-Y66 HydrophobicContact CZ3-CE2 4.1Å; W63-Y66 WeakPolarHBondContact O-CD2 3.23Å; D64-Y66 PolarHBondContact O-N 2.87Å; Y66-L82 HydrophobicContact CD1-CD2 3.59Å; Y66-L82 HydrophobicContact CE1-CD2 3.09Å
67	S	51.5	Low	55.4	Low	94 Å²	94	53 Å²	53	66%	0.657	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-21.9	177.2	-57.7	0	0	0	0	113.3	D64 L65 S69	D64-S67 CarbonylContact O-C 3.35Å; D64-S67 VanDerWaalsContact O-CA 3.29Å; D64-S67 WeakPolarHBondContact O-CA 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 3.49Å; L65-S67 VanDerWaalsContact C-N 3.31Å; S67-S69 PolarHBondContact O-N 2.74Å; S67-S69 VanDerWaalsContact O-N 3.15Å
68	V	51.1	Low	56.1	Low	22 Å²	22	56.2 Å²	56.2	13%	0.133	29%	0.285	C	S	.	.	S	Bend	trans	-64.1	120.2	-176.4	169.1	0	0	0	0	107.7	M21 I60 D64 L65 H70 L72	M21-V68 HydrophobicContact CE-CG2 4.49Å; I60-V68 HydrophobicContact CD1-CG2 4.46Å; I60-V68 HydrophobicContact CG2-CG2 3.34Å; D64-V68 HydrophobicContact CB-CG2 4.38Å; D64-V68 WeakPolarHBondContact O-CG2 3.45Å; D64-V68 PolarHBondContact O-N 3.05Å; L65-V68 HydrophobicContact CD2-CB 4.42Å; L65-V68 HydrophobicContact CD2-CG2 4.14Å; V68-H70 PolarHBondContact O-N 2.68Å; V68-L72 HydrophobicContact CG1-CB 3.66Å; V68-L72 HydrophobicContact CG1-CD1 3.46Å; V68-L72 VanDerWaalsContact CG1-CD1 3.46Å; V68-L72 HydrophobicContact CG1-CG 4.05Å
69	S	49.6	Very low	56.9	Low	77 Å²	77	53.3 Å²	53.3	54%	0.538	27%	0.274	S	S	.	.			trans	-50.5	139.2	-176.8	-78.8	0	0	0	0	110.6	S67 H71 L72	S67-S69 PolarHBondContact O-N 2.74Å; S67-S69 VanDerWaalsContact O-N 3.15Å; S69-H71 VanDerWaalsContact C-ND1 3.34Å; S69-H71 VanDerWaalsContact CB-CE1 3.4Å; S69-H71 WeakPolarHBondContact CB-CE1 3.4Å; S69-H71 WeakPolarHBondContact CB-ND1 3.41Å; S69-H71 PolarHBondContact O-N 3.42Å; S69-H71 PolarHBondContact O-ND1 3.23Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-L72 VanDerWaalsContact O-N 3.12Å
70	H	51.1	Low	57.8	Low	116 Å²	116	51.7 Å²	51.7	54%	0.537	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-13.5	-179.6	-137.6	-103.2	0	0	0	116.4	V68 I73 R78	V68-H70 PolarHBondContact O-N 2.68Å; H70-I73 VanDerWaalsContact O-O 3.09Å; H70-R78 PolarHBondContact CD2-NH1 2.7Å; H70-R78 PolarHBondContact NE2-NH1 2.86Å
71	H	56.3	Low	58.6	Low	52 Å²	52	53.5 Å²	53.5	24%	0.241	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-22.1	179.9	71.5	-43.3	0	0	0	115.4	S69	S69-H71 VanDerWaalsContact C-ND1 3.34Å; S69-H71 VanDerWaalsContact CB-CE1 3.4Å; S69-H71 WeakPolarHBondContact CB-CE1 3.4Å; S69-H71 WeakPolarHBondContact CB-ND1 3.41Å; S69-H71 PolarHBondContact O-N 3.42Å; S69-H71 PolarHBondContact O-ND1 3.23Å
72	L	55.4	Low	59.2	Low	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.279	C	S	.	.	S	Bend	trans	-92	-36.2	-175.3	-77.9	-179.5	0	0	0	112.5	M21 I26 R46 T55 Y57 I60 V68 S69	M21-L72 HydrophobicContact CE-CD1 4.18Å; M21-L72 HydrophobicContact SD-CD1 3.74Å; I26-L72 HydrophobicContact CD1-CD2 3.85Å; R46-L72 PolarHBondContact NH2-O 2.66Å; T55-L72 HydrophobicContact CG2-CD2 3.39Å; Y57-L72 HydrophobicContact CD1-CB 4.45Å; Y57-L72 HydrophobicContact CD1-CD1 4.27Å; Y57-L72 HydrophobicContact CD1-CD2 4.05Å; Y57-L72 HydrophobicContact CD1-CG 4.47Å; Y57-L72 HydrophobicContact CE1-CB 3.85Å; Y57-L72 HydrophobicContact CE1-CD1 4.37Å; Y57-L72 HydrophobicContact CE1-CD2 3.51Å; Y57-L72 HydrophobicContact CE1-CG 4.07Å; Y57-L72 PolarHBondContact OH-O 2.94Å; I60-L72 HydrophobicContact CD1-CD1 3.48Å; I60-L72 VanDerWaalsContact CD1-CD1 3.48Å; V68-L72 HydrophobicContact CG1-CB 3.66Å; V68-L72 HydrophobicContact CG1-CD1 3.46Å; V68-L72 VanDerWaalsContact CG1-CD1 3.46Å; V68-L72 HydrophobicContact CG1-CG 4.05Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-L72 VanDerWaalsContact O-N 3.12Å
73	I	61.4	Low	60	Low	10 Å²	10	60.6 Å²	60.6	5%	0.051	31%	0.308	C	S	.	.	S	Bend	trans	-122.4	134.8	-179	-58.3	166.2	0	0	0	108.1	L65 H70 V77 R78 L101	L65-I73 HydrophobicContact CB-CD1 3.72Å; L65-I73 HydrophobicContact CD1-CD1 4.03Å; L65-I73 HydrophobicContact CD2-CD1 3.32Å; L65-I73 HydrophobicContact CD2-CG1 4.34Å; L65-I73 HydrophobicContact CG-CD1 3.83Å; H70-I73 VanDerWaalsContact O-O 3.09Å; I73-V77 HydrophobicContact CG2-CB 3.4Å; I73-V77 VanDerWaalsContact CG2-CB 3.4Å; I73-V77 HydrophobicContact CG2-CG1 3.38Å; I73-V77 HydrophobicContact CG2-CG2 4.32Å; I73-R78 HydrophobicContact CG2-CB 4.47Å; I73-L101 HydrophobicContact CD1-CD1 4.01Å; I73-L101 HydrophobicContact CG1-CD1 4.11Å
74	S	66.5	Low	60.6	Low	18 Å²	18	57 Å²	57	13%	0.126	30%	0.3	C	S	.	.			trans	-62.1	149.2	175.1	73.7	0	0	0	0	110.1	E76 V77 R78	S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 VanDerWaalsContact O-N 3.09Å; S74-V77 PolarHBondContact O-N 2.83Å; S74-V77 VanDerWaalsContact O-N 3.11Å; S74-V77 WeakPolarHBondContact OG-CG2 3.43Å; S74-V77 PolarHBondContact OG-N 2.9Å; S74-R78 PolarHBondContact O-N 3.18Å; S74-R78 VanDerWaalsContact O-N 3.12Å
75	K	66.8	Low	61	Low	119 Å²	119	57.2 Å²	57.2	52%	0.517	31%	0.305	S	S	.	.	H	α-helix	trans	-49.4	-38.9	174.6	-172.5	-175.7	170.4	-175	0	111.4	R78 D79	K75-R78 PolarHBondContact O-N 3.02Å; K75-D79 WeakPolarHBondContact CE-OD2 3.46Å; K75-D79 WeakPolarHBondContact O-CB 3.41Å; K75-D79 PolarHBondContact O-N 2.69Å
76	E	65.9	Low	61.5	Low	84 Å²	84	64.4 Å²	64.4	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-40.7	-177.6	-65	169.1	170.5	0	0	113.2	F34 S74 F80	F34-E76 HydrophobicContact CB-CB 3.83Å; F34-E76 VanDerWaalsContact CB-OE2 3.27Å; F34-E76 WeakPolarHBondContact CB-OE2 3.35Å; F34-E76 HydrophobicContact CD1-CB 3.84Å; F34-E76 HydrophobicContact CG-CB 4.21Å; F34-E76 PolarHBondContact N-OE2 2.8Å; S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 VanDerWaalsContact O-N 3.09Å; E76-F80 WeakPolarHBondContact O-CB 3.2Å; E76-F80 PolarHBondContact O-N 3.28Å
77	V	68.7	Low	62	Low	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-69.2	-42.8	176.7	174.2	0	0	0	0	110.1	F34 W42 I73 S74 F80 I81 I97	F34-V77 HydrophobicContact CB-CG2 4.04Å; F34-V77 HydrophobicContact CD1-CG2 4.33Å; F34-V77 HydrophobicContact CD2-CB 4.36Å; F34-V77 HydrophobicContact CD2-CG2 3.2Å; F34-V77 HydrophobicContact CE2-CB 4.23Å; F34-V77 HydrophobicContact CE2-CG1 4.47Å; F34-V77 HydrophobicContact CE2-CG2 3.45Å; F34-V77 VanDerWaalsContact CE2-CG2 3.45Å; F34-V77 HydrophobicContact CG-CG2 3.64Å; F34-V77 HydrophobicContact CZ-CB 4.46Å; F34-V77 HydrophobicContact CZ-CG2 4.07Å; W42-V77 HydrophobicContact CH2-CB 4.17Å; W42-V77 HydrophobicContact CH2-CG1 3.92Å; W42-V77 HydrophobicContact CH2-CG2 3.22Å; W42-V77 HydrophobicContact CZ2-CB 4.45Å; W42-V77 HydrophobicContact CZ2-CG2 3.19Å; W42-V77 HydrophobicContact CZ3-CG1 4.45Å; W42-V77 HydrophobicContact CZ3-CG2 4.02Å; I73-V77 HydrophobicContact CG2-CB 3.4Å; I73-V77 VanDerWaalsContact CG2-CB 3.4Å; I73-V77 HydrophobicContact CG2-CG1 3.38Å; I73-V77 HydrophobicContact CG2-CG2 4.32Å; S74-V77 PolarHBondContact O-N 2.83Å; S74-V77 VanDerWaalsContact O-N 3.11Å; S74-V77 WeakPolarHBondContact OG-CG2 3.43Å; S74-V77 PolarHBondContact OG-N 2.9Å; V77-F80 WeakPolarHBondContact O-CB 3.07Å; V77-F80 PolarHBondContact O-N 3.21Å; V77-I81 HydrophobicContact CG1-CD1 3.93Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.29Å; V77-I81 PolarHBondContact O-N 3.23Å; V77-I97 HydrophobicContact CG1-CD1 4.3Å; V77-I97 HydrophobicContact CG1-CG2 3.83Å
78	R	70.8	Confident	62.1	Low	72 Å²	72	65.9 Å²	65.9	27%	0.272	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-50.9	175.6	-175.2	-157.9	64.2	-157.5	-2.9	110.5	H70 I73 S74 K75 F80 I81 L82	H70-R78 PolarHBondContact CD2-NH1 2.7Å; H70-R78 PolarHBondContact NE2-NH1 2.86Å; I73-R78 HydrophobicContact CG2-CB 4.47Å; S74-R78 PolarHBondContact O-N 3.18Å; S74-R78 VanDerWaalsContact O-N 3.12Å; K75-R78 PolarHBondContact O-N 3.02Å; R78-F80 PolarHBondContact O-N 2.85Å; R78-I81 PolarHBondContact O-N 3.36Å; R78-I81 VanDerWaalsContact O-N 3.13Å; R78-L82 HydrophobicContact CG-CD1 3.7Å; R78-L82 HydrophobicContact CG-CG 4.14Å; R78-L82 WeakPolarHBondContact O-CB 3.37Å; R78-L82 VanDerWaalsContact O-CG 3.24Å; R78-L82 WeakPolarHBondContact O-CG 3.29Å; R78-L82 PolarHBondContact O-N 2.97Å
79	D	67.7	Low	62.1	Low	60 Å²	60	68.7 Å²	68.7	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-33.3	178.6	-67	-5.1	0	0	0	110.7	K75 S83	K75-D79 WeakPolarHBondContact CE-OD2 3.46Å; K75-D79 WeakPolarHBondContact O-CB 3.41Å; K75-D79 PolarHBondContact O-N 2.69Å; D79-S83 CarbonylContact O-C 3.45Å; D79-S83 WeakPolarHBondContact O-CA 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.17Å
80	F	68.2	Low	62.2	Low	8 Å²	8	65.7 Å²	65.7	4%	0.035	35%	0.349	C	S	.	.	H	α-helix	trans	-68.4	-41.9	173.1	-174.6	-90.8	0	0	0	113	F34 F39 E76 V77 R78 P84 P85 H90 I93 I97	F34-F80 HydrophobicContact CE1-CB 3.67Å; F34-F80 HydrophobicContact CE1-CD1 4.46Å; F34-F80 HydrophobicContact CE1-CD2 4.02Å; F34-F80 AromaticContact CE1-CG 3.8Å; F34-F80 HydrophobicContact CE1-CG 3.8Å; F34-F80 HydrophobicContact CZ-CB 3.84Å; F34-F80 AromaticContact CZ-CD1 3.96Å; F34-F80 HydrophobicContact CZ-CD1 3.96Å; F34-F80 HydrophobicContact CZ-CD2 4.26Å; F34-F80 AromaticContact CZ-CG 3.76Å; F34-F80 HydrophobicContact CZ-CG 3.76Å; F39-F80 HydrophobicContact CE1-CE1 4.21Å; F39-F80 HydrophobicContact CE1-CZ 4.31Å; F39-F80 HydrophobicContact CZ-CE1 4.1Å; F39-F80 HydrophobicContact CZ-CE2 4.14Å; F39-F80 AromaticContact CZ-CZ 3.74Å; F39-F80 HydrophobicContact CZ-CZ 3.74Å; E76-F80 WeakPolarHBondContact O-CB 3.2Å; E76-F80 PolarHBondContact O-N 3.28Å; V77-F80 WeakPolarHBondContact O-CB 3.07Å; V77-F80 PolarHBondContact O-N 3.21Å; R78-F80 PolarHBondContact O-N 2.85Å; F80-P84 WeakPolarHBondContact O-CA 3.28Å; F80-P84 WeakPolarHBondContact O-CB 3.19Å; F80-P85 HydrophobicContact CE2-CG 4.25Å; F80-H90 HydrophobicContact CE1-CB 4.21Å; F80-H90 HydrophobicContact CE2-CB 4.11Å; F80-H90 HydrophobicContact CZ-CB 3.55Å; F80-I93 HydrophobicContact CE1-CB 3.81Å; F80-I93 HydrophobicContact CE1-CG2 3.58Å; F80-I93 HydrophobicContact CZ-CB 4.06Å; F80-I93 HydrophobicContact CZ-CD1 4.16Å; F80-I93 HydrophobicContact CZ-CG2 4.01Å; F80-I97 HydrophobicContact CD1-CD1 4.13Å; F80-I97 HydrophobicContact CE1-CD1 4.36Å
81	I	67.8	Low	62.5	Low	46 Å²	46	63.7 Å²	63.7	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-43.3	174.7	-65.2	163.1	0	0	0	110.6	V77 R78 I97	V77-I81 HydrophobicContact CG1-CD1 3.93Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.29Å; V77-I81 PolarHBondContact O-N 3.23Å; R78-I81 PolarHBondContact O-N 3.36Å; R78-I81 VanDerWaalsContact O-N 3.13Å; I81-I97 HydrophobicContact CD1-CG2 3.78Å; I81-I97 HydrophobicContact CG1-CG2 4.36Å
82	L	66.6	Low	62.9	Low	74 Å²	74	65.4 Å²	65.4	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-76	-36.1	-175	-70.3	179.4	0	0	0	113.9	Y66 R78	Y66-L82 HydrophobicContact CD1-CD2 3.59Å; Y66-L82 HydrophobicContact CE1-CD2 3.09Å; R78-L82 HydrophobicContact CG-CD1 3.7Å; R78-L82 HydrophobicContact CG-CG 4.14Å; R78-L82 WeakPolarHBondContact O-CB 3.37Å; R78-L82 VanDerWaalsContact O-CG 3.24Å; R78-L82 WeakPolarHBondContact O-CG 3.29Å; R78-L82 PolarHBondContact O-N 2.97Å
83	S	67.5	Low	63.3	Low	93 Å²	93	67 Å²	67	65%	0.65	37%	0.368	S	S	*	.	S	Bend	trans	-138.9	65.5	-174.1	-65.1	0	0	0	0	108.4	D79	D79-S83 CarbonylContact O-C 3.45Å; D79-S83 WeakPolarHBondContact O-CA 3.29Å; D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.17Å
84	P	63.7	Low	63.6	Low	45 Å²	45	67.1 Å²	67.1	29%	0.292	37%	0.371	S	S	.	.			trans	-69.5	140	-176.2	36.3	-39.9	0	0	0	108.7	F80 N86 H90	F80-P84 WeakPolarHBondContact O-CA 3.28Å; F80-P84 WeakPolarHBondContact O-CB 3.19Å; P84-N86 PolarHBondContact O-N 3.41Å; P84-H90 HydrophobicContact CB-CB 3.86Å; P84-H90 WeakPolarHBondContact CB-CD2 2.99Å; P84-H90 WeakPolarHBondContact CG-CD2 3.46Å
85	P	64	Low	63.6	Low	62 Å²	62	73.1 Å²	73.1	40%	0.403	39%	0.391	S	S	.	.			trans	-65.5	124.5	-175.2	24.9	-32.3	0	0	0	109.3	F80 S87 H90	F80-P85 HydrophobicContact CE2-CG 4.25Å; P85-S87 PolarHBondContact O-N 3.44Å; P85-S87 PolarHBondContact O-OG 3.33Å; P85-H90 PolarHBondContact O-CE1 2.63Å; P85-H90 PolarHBondContact O-ND1 2.98Å
86	N	61	Low	63.7	Low	165 Å²	165	70 Å²	70	88%	0.882	38%	0.378	S	S	*	.	S	Bend	trans	-49	16.6	-168.8	-162	13.9	0	0	0	119.6	P84	P84-N86 PolarHBondContact O-N 3.41Å
87	S	59.8	Low	63.9	Low	78 Å²	78	66 Å²	66	55%	0.545	36%	0.359	S	S	.	.	S	Bend	trans	-99.7	100.5	172.6	56.1	0	0	0	0	111	P85 P89 H90	P85-S87 PolarHBondContact O-N 3.44Å; P85-S87 PolarHBondContact O-OG 3.33Å; S87-P89 WeakPolarHBondContact O-CD 3.47Å; S87-H90 PolarHBondContact N-CE1 3.49Å; S87-H90 PolarHBondContact O-CE1 3.35Å; S87-H90 VanDerWaalsContact O-CE1 3.28Å; S87-H90 PolarHBondContact O-ND1 3.25Å
88	Q	54.7	Low	63.9	Low	179 Å²	179	67.4 Å²	67.4	84%	0.836	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	85.7	178.3	-73	-178.6	-19	0	0	114
89	P	51.4	Low	63.7	Low	81 Å²	81	66.1 Å²	66.1	53%	0.526	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn		-133.7	7.3	109.6	25.8	-9.9	0	0	0	114.2	S87 T91 T92 I93	S87-P89 WeakPolarHBondContact O-CD 3.47Å; P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 PolarHBondContact O-N 3.26Å; P89-T92 WeakPolarHBondContact O-CB 3.14Å; P89-T92 PolarHBondContact O-N 2.7Å; P89-I93 PolarHBondContact O-N 3.31Å
90	H	50.4	Low	63.7	Low	14 Å²	14	63.7 Å²	63.7	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-68.7	-21.7	-179.1	57	-99.3	0	0	0	114.8	F80 P84 P85 S87 T92 I93 G94	F80-H90 HydrophobicContact CE1-CB 4.21Å; F80-H90 HydrophobicContact CE2-CB 4.11Å; F80-H90 HydrophobicContact CZ-CB 3.55Å; P84-H90 HydrophobicContact CB-CB 3.86Å; P84-H90 WeakPolarHBondContact CB-CD2 2.99Å; P84-H90 WeakPolarHBondContact CG-CD2 3.46Å; P85-H90 PolarHBondContact O-CE1 2.63Å; P85-H90 PolarHBondContact O-ND1 2.98Å; S87-H90 PolarHBondContact N-CE1 3.49Å; S87-H90 PolarHBondContact O-CE1 3.35Å; S87-H90 VanDerWaalsContact O-CE1 3.28Å; S87-H90 PolarHBondContact O-ND1 3.25Å; H90-T92 VanDerWaalsContact C-N 3.34Å; H90-I93 PolarHBondContact O-N 3.28Å; H90-G94 PolarHBondContact O-N 3.13Å
91	T	58	Low	63.6	Low	73 Å²	73	63.5 Å²	63.5	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-39.2	174.8	45.4	0	0	0	0	110.4	P89 I93 R95	P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 PolarHBondContact O-N 3.26Å; T91-I93 VanDerWaalsContact C-N 3.32Å; T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 VanDerWaalsContact O-CG 3.29Å; T91-R95 WeakPolarHBondContact O-CG 3.24Å; T91-R95 PolarHBondContact O-N 3.12Å
92	T	64.6	Low	63.3	Low	88 Å²	88	65.3 Å²	65.3	54%	0.54	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-44.5	171.9	-50.6	0	0	0	0	110.3	P89 H90 R95 E96	P89-T92 WeakPolarHBondContact O-CB 3.14Å; P89-T92 PolarHBondContact O-N 2.7Å; H90-T92 VanDerWaalsContact C-N 3.34Å; T92-R95 WeakPolarHBondContact O-CB 3.29Å; T92-R95 PolarHBondContact O-N 2.8Å; T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 PolarHBondContact O-N 3.33Å
93	I	64.2	Low	63.2	Low	39 Å²	39	62.7 Å²	62.7	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-68.5	-44.2	-177.6	-63.1	159.6	0	0	0	112.3	F39 F80 P89 H90 T91 R95 E96 I97	F39-I93 HydrophobicContact CB-CG2 4.42Å; F39-I93 HydrophobicContact CD1-CG2 3.23Å; F39-I93 HydrophobicContact CD2-CB 4.49Å; F39-I93 HydrophobicContact CD2-CD1 3.82Å; F39-I93 HydrophobicContact CD2-CG1 4.01Å; F39-I93 HydrophobicContact CD2-CG2 3.65Å; F39-I93 HydrophobicContact CE1-CB 4.47Å; F39-I93 HydrophobicContact CE1-CG2 3.14Å; F39-I93 HydrophobicContact CE2-CB 4.34Å; F39-I93 HydrophobicContact CE2-CD1 3.35Å; F39-I93 HydrophobicContact CE2-CG1 3.97Å; F39-I93 HydrophobicContact CE2-CG2 3.6Å; F39-I93 HydrophobicContact CG-CG2 3.48Å; F39-I93 VanDerWaalsContact CG-CG2 3.48Å; F39-I93 HydrophobicContact CZ-CB 4.35Å; F39-I93 HydrophobicContact CZ-CD1 3.94Å; F39-I93 HydrophobicContact CZ-CG1 4.46Å; F39-I93 HydrophobicContact CZ-CG2 3.37Å; F80-I93 HydrophobicContact CE1-CB 3.81Å; F80-I93 HydrophobicContact CE1-CG2 3.58Å; F80-I93 HydrophobicContact CZ-CB 4.06Å; F80-I93 HydrophobicContact CZ-CD1 4.16Å; F80-I93 HydrophobicContact CZ-CG2 4.01Å; P89-I93 PolarHBondContact O-N 3.31Å; H90-I93 PolarHBondContact O-N 3.28Å; T91-I93 VanDerWaalsContact C-N 3.32Å; I93-R95 VanDerWaalsContact C-N 3.25Å; I93-R95 PolarHBondContact O-N 3.06Å; I93-E96 PolarHBondContact O-N 3.34Å; I93-I97 HydrophobicContact CG2-CD1 3.8Å; I93-I97 HydrophobicContact CG2-CG1 4.32Å; I93-I97 WeakPolarHBondContact O-CB 3.07Å; I93-I97 WeakPolarHBondContact O-CD1 3.29Å; I93-I97 VanDerWaalsContact O-CG1 3.24Å; I93-I97 WeakPolarHBondContact O-CG1 3.39Å; I93-I97 PolarHBondContact O-N 3.48Å
94	G	67.2	Low	62.6	Low	11 Å²	11	60.2 Å²	60.2	11%	0.113	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-39.5	174	0	0	0	0	0	111.8	H90 M98	H90-G94 PolarHBondContact O-N 3.13Å; G94-M98 VanDerWaalsContact O-CB 3.29Å; G94-M98 WeakPolarHBondContact O-CB 3.35Å; G94-M98 PolarHBondContact O-N 2.74Å
95	R	67.6	Low	62.4	Low	144 Å²	144	60.7 Å²	60.7	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-45.6	172.8	-77.6	178	-177.3	-169.3	-0	112.5	T91 T92 I93 I97 M98 I99	T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 VanDerWaalsContact O-CG 3.29Å; T91-R95 WeakPolarHBondContact O-CG 3.24Å; T91-R95 PolarHBondContact O-N 3.12Å; T92-R95 WeakPolarHBondContact O-CB 3.29Å; T92-R95 PolarHBondContact O-N 2.8Å; I93-R95 VanDerWaalsContact C-N 3.25Å; I93-R95 PolarHBondContact O-N 3.06Å; R95-I97 VanDerWaalsContact C-N 3.28Å; R95-I97 PolarHBondContact O-N 2.67Å; R95-M98 HydrophobicContact CG-CE 4.36Å; R95-M98 CarbonylContact O-C 3.47Å; R95-M98 WeakPolarHBondContact O-CB 3.29Å; R95-M98 PolarHBondContact O-N 2.61Å; R95-I99 VanDerWaalsContact O-CG1 3.29Å; R95-I99 WeakPolarHBondContact O-CG1 3.27Å; R95-I99 PolarHBondContact O-N 2.8Å
96	E	69	Low	61.8	Low	53 Å²	53	59.7 Å²	59.7	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-41.3	179.5	-158.8	56.7	-145.5	0	0	110.3	T92 I93 M98 I99 H100 R111	T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 PolarHBondContact O-N 3.33Å; I93-E96 PolarHBondContact O-N 3.34Å; E96-M98 VanDerWaalsContact C-N 3.3Å; E96-M98 PolarHBondContact O-N 2.85Å; E96-I99 PolarHBondContact O-N 3.38Å; E96-H100 PolarHBondContact O-CD2 3.33Å; E96-H100 PolarHBondContact O-N 3.4Å; E96-H100 IonicContact OE1-CD2 3.73Å; E96-H100 IonicContact OE1-NE2 3.31Å; E96-H100 PolarHBondContact OE1-NE2 3.15Å; E96-R111 IonicContact OE1-CZ 3.55Å; E96-R111 IonicContact OE1-NH1 2.66Å; E96-R111 PolarHBondContact OE1-NH1 3.05Å; E96-R111 IonicContact OE1-NH2 3.95Å
97	I	68.6	Low	61.7	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-46.1	175.1	-70.6	159.3	0	0	0	111.8	F34 F39 W42 F43 V77 F80 I81 I93 R95 L101	F34-I97 HydrophobicContact CE2-CD1 4.12Å; F34-I97 HydrophobicContact CZ-CD1 4.2Å; F39-I97 HydrophobicContact CD1-CD1 4.1Å; F39-I97 HydrophobicContact CD1-CG1 4.5Å; F39-I97 HydrophobicContact CE1-CD1 4.02Å; W42-I97 HydrophobicContact CZ3-CG1 4.4Å; F43-I97 HydrophobicContact CE2-CB 3.99Å; F43-I97 HydrophobicContact CE2-CG1 3.36Å; F43-I97 HydrophobicContact CZ-CB 3.63Å; F43-I97 HydrophobicContact CZ-CG1 3.44Å; F43-I97 VanDerWaalsContact CZ-CG1 3.44Å; F43-I97 HydrophobicContact CZ-CG2 3.81Å; V77-I97 HydrophobicContact CG1-CD1 4.3Å; V77-I97 HydrophobicContact CG1-CG2 3.83Å; F80-I97 HydrophobicContact CD1-CD1 4.13Å; F80-I97 HydrophobicContact CE1-CD1 4.36Å; I81-I97 HydrophobicContact CD1-CG2 3.78Å; I81-I97 HydrophobicContact CG1-CG2 4.36Å; I93-I97 HydrophobicContact CG2-CD1 3.8Å; I93-I97 HydrophobicContact CG2-CG1 4.32Å; I93-I97 WeakPolarHBondContact O-CB 3.07Å; I93-I97 WeakPolarHBondContact O-CD1 3.29Å; I93-I97 VanDerWaalsContact O-CG1 3.24Å; I93-I97 WeakPolarHBondContact O-CG1 3.39Å; I93-I97 PolarHBondContact O-N 3.48Å; R95-I97 VanDerWaalsContact C-N 3.28Å; R95-I97 PolarHBondContact O-N 2.67Å; I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 WeakPolarHBondContact O-CB 3.14Å; I97-L101 WeakPolarHBondContact O-CG 2.86Å; I97-L101 PolarHBondContact O-N 3.29Å
98	M	68.3	Low	61.6	Low	30 Å²	30	52.4 Å²	52.4	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-45.2	177.2	161	164.8	91.4	0	0	111.9	L10 P62 G94 R95 E96 L101 W102	L10-M98 HydrophobicContact CD1-CE 3.54Å; L10-M98 HydrophobicContact CD2-CE 4.21Å; P62-M98 HydrophobicContact CB-CB 4.28Å; P62-M98 HydrophobicContact CB-CG 3.29Å; P62-M98 HydrophobicContact CB-SD 3.29Å; P62-M98 WeakPolarHBondContact CB-SD 3.47Å; P62-M98 HydrophobicContact CG-CG 3.39Å; P62-M98 HydrophobicContact CG-SD 3.88Å; G94-M98 VanDerWaalsContact O-CB 3.29Å; G94-M98 WeakPolarHBondContact O-CB 3.35Å; G94-M98 PolarHBondContact O-N 2.74Å; R95-M98 HydrophobicContact CG-CE 4.36Å; R95-M98 CarbonylContact O-C 3.47Å; R95-M98 WeakPolarHBondContact O-CB 3.29Å; R95-M98 PolarHBondContact O-N 2.61Å; E96-M98 VanDerWaalsContact C-N 3.3Å; E96-M98 PolarHBondContact O-N 2.85Å; M98-L101 PolarHBondContact O-N 3.41Å; M98-W102 WeakPolarHBondContact O-CB 3.45Å; M98-W102 PolarHBondContact O-N 3.11Å
99	I	67.6	Low	61.8	Low	46 Å²	46	47.4 Å²	47.4	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-49.5	178.1	-64.8	162	0	0	0	109.9	R95 E96 L101 W102 L103	R95-I99 VanDerWaalsContact O-CG1 3.29Å; R95-I99 WeakPolarHBondContact O-CG1 3.27Å; R95-I99 PolarHBondContact O-N 2.8Å; E96-I99 PolarHBondContact O-N 3.38Å; I99-L101 VanDerWaalsContact C-N 3.25Å; I99-L101 PolarHBondContact O-N 3.12Å; I99-W102 PolarHBondContact O-N 2.89Å; I99-L103 HydrophobicContact CG2-CD1 4.19Å; I99-L103 HydrophobicContact CG2-CD2 4.44Å; I99-L103 HydrophobicContact CG2-CG 4.13Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.09Å
100	H	67.1	Low	62.1	Low	9 Å²	9	50.8 Å²	50.8	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-33.6	178.9	-79.8	-68.7	0	0	0	113.8	F43 E96 W102 R108	F43-H100 HydrophobicContact CD1-CB 3.86Å; F43-H100 HydrophobicContact CE1-CB 3.58Å; F43-H100 HydrophobicContact CZ-CB 4.02Å; E96-H100 PolarHBondContact O-CD2 3.33Å; E96-H100 PolarHBondContact O-N 3.4Å; E96-H100 IonicContact OE1-CD2 3.73Å; E96-H100 IonicContact OE1-NE2 3.31Å; E96-H100 PolarHBondContact OE1-NE2 3.15Å; H100-W102 VanDerWaalsContact C-N 3.34Å; H100-R108 WeakPolarHBondContact O-CD 3.35Å; H100-R108 WeakPolarHBondContact O-CG 3.15Å; H100-R108 PolarHBondContact O-NE 2.65Å
101	L	65.6	Low	62.6	Low	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-72.3	-29.4	174.8	-84.6	168.4	0	0	0	113.3	Y57 L65 I73 I97 M98 I99	Y57-L101 HydrophobicContact CD1-CD2 3.83Å; Y57-L101 HydrophobicContact CE1-CD2 4.05Å; Y57-L101 HydrophobicContact CG-CD2 4.27Å; L65-L101 HydrophobicContact CD1-CD1 3.88Å; L65-L101 HydrophobicContact CD2-CD1 4.21Å; I73-L101 HydrophobicContact CD1-CD1 4.01Å; I73-L101 HydrophobicContact CG1-CD1 4.11Å; I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 WeakPolarHBondContact O-CB 3.14Å; I97-L101 WeakPolarHBondContact O-CG 2.86Å; I97-L101 PolarHBondContact O-N 3.29Å; M98-L101 PolarHBondContact O-N 3.41Å; I99-L101 VanDerWaalsContact C-N 3.25Å; I99-L101 PolarHBondContact O-N 3.12Å
102	W	63.4	Low	62.6	Low	85 Å²	85	55.5 Å²	55.5	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-82.7	-34.6	-179.2	178.9	72.1	0	0	0	113.2	M13 P62 M98 I99 H100 S104	M13-W102 HydrophobicContact CE-CH2 3.08Å; M13-W102 HydrophobicContact CE-CZ2 2.92Å; M13-W102 HydrophobicContact CE-CZ3 4.02Å; P62-W102 HydrophobicContact CG-CB 4.02Å; P62-W102 HydrophobicContact CG-CG 4.41Å; M98-W102 WeakPolarHBondContact O-CB 3.45Å; M98-W102 PolarHBondContact O-N 3.11Å; I99-W102 PolarHBondContact O-N 2.89Å; H100-W102 VanDerWaalsContact C-N 3.34Å; W102-S104 PolarHBondContact O-N 2.84Å
103	L	63.1	Low	62.2	Low	18 Å²	18	62.1 Å²	62.1	9%	0.094	30%	0.299	C	S	.	.	S	Bend	trans	-56.6	135	178	-70.3	178	0	0	0	110.1	I99 Q107 R108 R111	I99-L103 HydrophobicContact CG2-CD1 4.19Å; I99-L103 HydrophobicContact CG2-CD2 4.44Å; I99-L103 HydrophobicContact CG2-CG 4.13Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.09Å; L103-Q107 HydrophobicContact CB-CB 3.69Å; L103-Q107 HydrophobicContact CD1-CB 4.36Å; L103-Q107 HydrophobicContact CD2-CB 3.79Å; L103-Q107 HydrophobicContact CD2-CG 4.32Å; L103-Q107 HydrophobicContact CG-CB 4.1Å; L103-R108 HydrophobicContact CB-CG 3.59Å; L103-R108 WeakPolarHBondContact O-CD 3.21Å; L103-R108 VanDerWaalsContact O-CG 3.31Å; L103-R108 WeakPolarHBondContact O-CG 3.19Å; L103-R111 HydrophobicContact CD1-CG 4.26Å
104	S	56.3	Low	62.1	Low	41 Å²	41	63.3 Å²	63.3	29%	0.287	30%	0.304	S	S	.	.			trans	-56.6	157.1	169.5	58.1	0	0	0	0	110.9	W102 G106 Q107 R108	W102-S104 PolarHBondContact O-N 2.84Å; S104-G106 PolarHBondContact O-N 3.22Å; S104-Q107 CarbonylContact O-C 3.58Å; S104-Q107 WeakPolarHBondContact O-CA 3.32Å; S104-Q107 PolarHBondContact O-N 3.28Å; S104-Q107 WeakPolarHBondContact OG-CG 3.06Å; S104-Q107 PolarHBondContact OG-N 2.64Å; S104-Q107 PolarHBondContact OG-OE1 3.1Å; S104-R108 WeakPolarHBondContact O-CG 3.24Å; S104-R108 PolarHBondContact O-N 2.82Å
105	D	57.7	Low	61.8	Low	55 Å²	55	66.1 Å²	66.1	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-48.4	-39	177.4	-69.9	-16	0	0	0	111.9	R108 I109	D105-R108 PolarHBondContact O-N 3.4Å; D105-R108 IonicContact OD1-NH1 3.58Å; D105-I109 WeakPolarHBondContact O-CD1 3.49Å; D105-I109 VanDerWaalsContact O-CG1 3.26Å; D105-I109 WeakPolarHBondContact O-CG1 3.38Å; D105-I109 PolarHBondContact O-N 2.85Å; D105-I109 VanDerWaalsContact O-N 3.13Å
106	G	53	Low	61.5	Low	42 Å²	42	61.7 Å²	61.7	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.3	0	0	0	0	0	113.7	S104 H110	S104-G106 PolarHBondContact O-N 3.22Å; G106-H110 PolarHBondContact O-CD2 3.25Å; G106-H110 VanDerWaalsContact O-CD2 3.28Å; G106-H110 PolarHBondContact O-N 3.13Å
107	Q	58.8	Low	61	Low	88 Å²	88	62.2 Å²	62.2	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-33	177	-73.4	168.2	-41.6	0	0	112.8	L103 S104 H110 R111	L103-Q107 HydrophobicContact CB-CB 3.69Å; L103-Q107 HydrophobicContact CD1-CB 4.36Å; L103-Q107 HydrophobicContact CD2-CB 3.79Å; L103-Q107 HydrophobicContact CD2-CG 4.32Å; L103-Q107 HydrophobicContact CG-CB 4.1Å; S104-Q107 CarbonylContact O-C 3.58Å; S104-Q107 WeakPolarHBondContact O-CA 3.32Å; S104-Q107 PolarHBondContact O-N 3.28Å; S104-Q107 WeakPolarHBondContact OG-CG 3.06Å; S104-Q107 PolarHBondContact OG-N 2.64Å; S104-Q107 PolarHBondContact OG-OE1 3.1Å; Q107-H110 PolarHBondContact O-N 2.86Å; Q107-R111 PolarHBondContact O-N 3.38Å
108	R	57.4	Low	60.6	Low	1 Å²	1	66.1 Å²	66.1	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-45.5	176.2	-68.1	168.4	86.7	-154.9	4.3	110.9	E47 Y57 H100 L103 S104 D105 H110 R111	E47-R108 VanDerWaalsContact CD-NH2 3.26Å; E47-R108 IonicContact OE1-CZ 2.95Å; E47-R108 IonicContact OE1-NE 3.48Å; E47-R108 PolarHBondContact OE1-NE 3.16Å; E47-R108 IonicContact OE1-NH1 2.7Å; E47-R108 PolarHBondContact OE1-NH1 3.01Å; E47-R108 IonicContact OE1-NH2 3.29Å; E47-R108 PolarHBondContact OE1-NH2 3.36Å; E47-R108 IonicContact OE2-CZ 2.76Å; E47-R108 IonicContact OE2-NE 2.93Å; E47-R108 PolarHBondContact OE2-NE 3.03Å; E47-R108 IonicContact OE2-NH1 3.44Å; E47-R108 PolarHBondContact OE2-NH1 3.27Å; E47-R108 IonicContact OE2-NH2 2.59Å; E47-R108 PolarHBondContact OE2-NH2 2.62Å; Y57-R108 VanDerWaalsContact CD2-NH1 3.26Å; H100-R108 WeakPolarHBondContact O-CD 3.35Å; H100-R108 WeakPolarHBondContact O-CG 3.15Å; H100-R108 PolarHBondContact O-NE 2.65Å; L103-R108 HydrophobicContact CB-CG 3.59Å; L103-R108 WeakPolarHBondContact O-CD 3.21Å; L103-R108 VanDerWaalsContact O-CG 3.31Å; L103-R108 WeakPolarHBondContact O-CG 3.19Å; S104-R108 WeakPolarHBondContact O-CG 3.24Å; S104-R108 PolarHBondContact O-N 2.82Å; D105-R108 PolarHBondContact O-N 3.4Å; D105-R108 IonicContact OD1-NH1 3.58Å; R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.29Å; R108-R111 PolarHBondContact O-N 2.63Å
109	I	58.9	Low	60.1	Low	74 Å²	74	68.5 Å²	68.5	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-42.2	176.9	-67.9	165	0	0	0	111	D105 R111 L112 F113	D105-I109 WeakPolarHBondContact O-CD1 3.49Å; D105-I109 VanDerWaalsContact O-CG1 3.26Å; D105-I109 WeakPolarHBondContact O-CG1 3.38Å; D105-I109 PolarHBondContact O-N 2.85Å; D105-I109 VanDerWaalsContact O-N 3.13Å; I109-R111 PolarHBondContact O-N 3.25Å; I109-L112 PolarHBondContact O-N 2.83Å; I109-L112 VanDerWaalsContact O-N 3.14Å; I109-F113 HydrophobicContact CG2-CD2 4.14Å; I109-F113 HydrophobicContact CG2-CE2 4.25Å; I109-F113 WeakPolarHBondContact O-CD2 3.41Å
110	H	57.9	Low	59.5	Low	152 Å²	152	70.1 Å²	70.1	70%	0.704	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-17.1	179.1	-93.2	-75.4	0	0	0	115.2	G106 Q107 R108 F113	G106-H110 PolarHBondContact O-CD2 3.25Å; G106-H110 VanDerWaalsContact O-CD2 3.28Å; G106-H110 PolarHBondContact O-N 3.13Å; Q107-H110 PolarHBondContact O-N 2.86Å; R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.29Å; H110-F113 VanDerWaalsContact O-OXT 3.12Å
111	R	60.8	Low	58.9	Low	114 Å²	114	74.8 Å²	74.8	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-89.4	-21.7	173.9	-88.7	-169.9	174.8	-167.4	-10.2	113.8	E96 L103 Q107 R108 I109 F113	E96-R111 IonicContact OE1-CZ 3.55Å; E96-R111 IonicContact OE1-NH1 2.66Å; E96-R111 PolarHBondContact OE1-NH1 3.05Å; E96-R111 IonicContact OE1-NH2 3.95Å; L103-R111 HydrophobicContact CD1-CG 4.26Å; Q107-R111 PolarHBondContact O-N 3.38Å; R108-R111 PolarHBondContact O-N 2.63Å; I109-R111 PolarHBondContact O-N 3.25Å; R111-F113 VanDerWaalsContact C-N 3.32Å
112	L	57.7	Low	58.4	Low	73 Å²	73	80.8 Å²	80.8	38%	0.382	40%	0.395	S	S	.	.	H	α-helix	trans	-81.7	-13.3	179.4	-68.7	172.8	0	0	0	112.8	A44 E47 I109	A44-L112 HydrophobicContact CB-CD2 4.48Å; E47-L112 HydrophobicContact CB-CD1 4.47Å; E47-L112 HydrophobicContact CG-CD1 4.13Å; I109-L112 PolarHBondContact O-N 2.83Å; I109-L112 VanDerWaalsContact O-N 3.14Å
113	F	55.6	Low	57.9	Low	227 Å²	227	80.5 Å²	80.5	100%	0.996	40%	0.401	S	S	*	.			trans	-123.7	0	179.7	-68.9	-77.4	0	0	0	111	I109 H110 R111	I109-F113 HydrophobicContact CG2-CD2 4.14Å; I109-F113 HydrophobicContact CG2-CE2 4.25Å; I109-F113 WeakPolarHBondContact O-CD2 3.41Å; H110-F113 VanDerWaalsContact O-OXT 3.12Å; R111-F113 VanDerWaalsContact C-N 3.32Å

Retrieved 113 of 113 residues in 34.3 ms (Link to these results)

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