G4VT02_SCHMA Loading...

Glycosyl transferase

AlphaFold DB , UniProt , Accession G4VT02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 aa.

						>G4VT02_SCHMA|G4VT02
MPKRPTICDIKKIFDGIFSVDENVDIEYTYKIAQRKIIFTRDDLSLSTASVLLKALLESYHFSKLVHLLADND
					

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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	37.6	Very low	53.1	Low	227 Å²	227	107 Å²	107	100%	1.118	54%	0.536	S	S	*	.				0	124.8	0	-65.5	-176.7	177.4	0	0	107.6	K3	M1-K3 PolarHBondContact O-N 3.45Å
2	P	47.1	Very low	54	Low	137 Å²	137	109.8 Å²	109.8	89%	0.89	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-61	118.7	164.9	-5.5	19.3	0	0	0	106.9
3	K	50.6	Low	54.6	Low	191 Å²	191	103.8 Å²	103.8	83%	0.83	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-68.1	139.4	174	-71.9	-178.1	177.1	180	0	107.5	M1 P5	M1-K3 PolarHBondContact O-N 3.45Å; K3-P5 WeakPolarHBondContact O-CD 3.32Å; K3-P5 VanDerWaalsContact O-N 3.13Å
4	R	48.8	Very low	55.1	Low	226 Å²	226	97.4 Å²	97.4	85%	0.853	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-53.8	120	170.1	-71.3	-177.1	-176.9	176.3	-0.6	107.7	T6	R4-T6 PolarHBondContact O-N 3.3Å
5	P	49.3	Very low	55.6	Low	16 Å²	16	96.7 Å²	96.7	10%	0.104	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-64.6	123.5	176.2	29.7	-38.4	0	0	0	108.8	K3 D9 T40 R41	K3-P5 WeakPolarHBondContact O-CD 3.32Å; K3-P5 VanDerWaalsContact O-N 3.13Å; P5-D9 WeakPolarHBondContact CA-OD2 3.35Å; P5-D9 HydrophobicContact CB-CB 3.67Å; P5-T40 HydrophobicContact CB-CG2 3.49Å; P5-T40 VanDerWaalsContact CB-CG2 3.49Å; P5-T40 WeakPolarHBondContact CD-O 3.29Å; P5-T40 HydrophobicContact CG-CG2 3.36Å; P5-T40 VanDerWaalsContact CG-O 3.25Å; P5-T40 WeakPolarHBondContact CG-O 3.36Å; P5-R41 HydrophobicContact CG-CG 3.6Å
6	T	57.3	Low	56.1	Low	77 Å²	77	93.5 Å²	93.5	47%	0.472	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-73.1	168.7	172.8	60.2	0	0	0	0	110	R4 C8 D9 I10	R4-T6 PolarHBondContact O-N 3.3Å; T6-C8 PolarHBondContact O-N 3.48Å; T6-C8 VanDerWaalsContact O-N 3.08Å; T6-C8 WeakPolarHBondContact OG1-CB 3.46Å; T6-C8 PolarHBondContact OG1-N 3.05Å; T6-D9 PolarHBondContact N-OD2 3.16Å; T6-D9 WeakPolarHBondContact O-CB 3.09Å; T6-D9 PolarHBondContact O-N 2.82Å; T6-D9 PolarHBondContact OG1-OD2 2.93Å; T6-I10 PolarHBondContact O-N 3Å; T6-I10 VanDerWaalsContact O-N 3.17Å
7	I	55.8	Low	56.2	Low	62 Å²	62	88.9 Å²	88.9	32%	0.318	46%	0.456	S	S	.	.	H	α-helix	trans	-51.3	-32.5	169.8	-68.8	166.8	0	0	0	111.3	D9 I10 K11 F62 V66 L69	I7-D9 PolarHBondContact O-N 3.03Å; I7-I10 PolarHBondContact O-N 3.48Å; I7-K11 PolarHBondContact O-N 3Å; I7-F62 HydrophobicContact CG2-CE1 4.43Å; I7-F62 HydrophobicContact CG2-CZ 3.93Å; I7-V66 HydrophobicContact CD1-CG1 4.36Å; I7-V66 HydrophobicContact CG2-CG2 4.01Å; I7-L69 HydrophobicContact CD1-CB 4.37Å; I7-L69 HydrophobicContact CG1-CB 4.35Å; I7-L69 HydrophobicContact CG1-CD1 4.09Å
8	C	58.4	Low	56.2	Low	83 Å²	83	86.9 Å²	86.9	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-65.3	-35.1	175	-62.1	0	0	0	0	113.1	T6 K12	T6-C8 PolarHBondContact O-N 3.48Å; T6-C8 VanDerWaalsContact O-N 3.08Å; T6-C8 WeakPolarHBondContact OG1-CB 3.46Å; T6-C8 PolarHBondContact OG1-N 3.05Å; C8-K12 WeakPolarHBondContact O-CG 3.15Å; C8-K12 PolarHBondContact O-N 3.03Å
9	D	60.8	Low	56.2	Low	58 Å²	58	87.2 Å²	87.2	31%	0.31	45%	0.454	S	S	.	.	H	α-helix	trans	-73.4	-39.5	178.2	-61	-55.1	0	0	0	111	P5 T6 I7 K12 I13	P5-D9 WeakPolarHBondContact CA-OD2 3.35Å; P5-D9 HydrophobicContact CB-CB 3.67Å; T6-D9 PolarHBondContact N-OD2 3.16Å; T6-D9 WeakPolarHBondContact O-CB 3.09Å; T6-D9 PolarHBondContact O-N 2.82Å; T6-D9 PolarHBondContact OG1-OD2 2.93Å; I7-D9 PolarHBondContact O-N 3.03Å; D9-K12 PolarHBondContact O-N 2.68Å; D9-I13 WeakPolarHBondContact O-CG1 3.38Å; D9-I13 PolarHBondContact O-N 3.03Å
10	I	59.5	Low	55.7	Low	10 Å²	10	87.3 Å²	87.3	5%	0.051	46%	0.458	C	S	.	.	H	α-helix	trans	-59	-50.9	172	-62	173.8	0	0	0	109	T6 I7 K12 I13 F14 L65 L69	T6-I10 PolarHBondContact O-N 3Å; T6-I10 VanDerWaalsContact O-N 3.17Å; I7-I10 PolarHBondContact O-N 3.48Å; I10-K12 VanDerWaalsContact C-N 3.31Å; I10-K12 PolarHBondContact O-N 3.11Å; I10-I13 WeakPolarHBondContact O-CB 3.15Å; I10-I13 PolarHBondContact O-N 3.14Å; I10-F14 HydrophobicContact CG2-CD2 3.77Å; I10-F14 HydrophobicContact CG2-CE2 3.66Å; I10-F14 VanDerWaalsContact O-CD2 3.3Å; I10-F14 WeakPolarHBondContact O-CD2 3.4Å; I10-F14 PolarHBondContact O-N 3.04Å; I10-L65 HydrophobicContact CG2-CD2 4.34Å; I10-L69 HydrophobicContact CD1-CD1 3.79Å; I10-L69 HydrophobicContact CD1-CD2 4.38Å
11	K	58.6	Low	55.2	Low	90 Å²	90	87.9 Å²	87.9	39%	0.391	46%	0.462	S	S	.	.	H	α-helix	trans	-54	-45.6	177.1	-167.7	-175.4	172	-168.7	0	112.5	I7 I13 F14 D15 F62	I7-K11 PolarHBondContact O-N 3Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 3.39Å; K11-F14 CarbonylContact O-C 3.22Å; K11-F14 WeakPolarHBondContact O-CB 3.34Å; K11-F14 PolarHBondContact O-N 2.86Å; K11-F14 VanDerWaalsContact O-N 3.11Å; K11-D15 WeakPolarHBondContact CE-OD2 3.33Å; K11-D15 PolarHBondContact O-N 2.91Å; K11-F62 HydrophobicContact CB-CE2 3.62Å; K11-F62 HydrophobicContact CB-CZ 3.59Å; K11-F62 HydrophobicContact CD-CD1 4.48Å; K11-F62 HydrophobicContact CD-CE1 3.97Å; K11-F62 HydrophobicContact CD-CE2 4.06Å; K11-F62 HydrophobicContact CD-CZ 3.76Å; K11-F62 HydrophobicContact CG-CD2 4.18Å; K11-F62 HydrophobicContact CG-CE1 4.39Å; K11-F62 HydrophobicContact CG-CE2 3.57Å; K11-F62 HydrophobicContact CG-CZ 3.71Å
12	K	64.2	Low	55.8	Low	140 Å²	140	86.6 Å²	86.6	61%	0.609	45%	0.453	S	S	*	.	H	α-helix	trans	-60.8	-38.7	177.3	-75.3	173.6	-177.4	174.6	0	112.9	C8 D9 I10 F14 G16	C8-K12 WeakPolarHBondContact O-CG 3.15Å; C8-K12 PolarHBondContact O-N 3.03Å; D9-K12 PolarHBondContact O-N 2.68Å; I10-K12 VanDerWaalsContact C-N 3.31Å; I10-K12 PolarHBondContact O-N 3.11Å; K12-F14 VanDerWaalsContact C-N 3.32Å; K12-G16 PolarHBondContact O-N 2.78Å
13	I	62.4	Low	56	Low	33 Å²	33	86.8 Å²	86.8	17%	0.169	45%	0.447	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175	-68.1	165.1	0	0	0	109.7	D9 I10 K11 I17 K36	D9-I13 WeakPolarHBondContact O-CG1 3.38Å; D9-I13 PolarHBondContact O-N 3.03Å; I10-I13 WeakPolarHBondContact O-CB 3.15Å; I10-I13 PolarHBondContact O-N 3.14Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 3.39Å; I13-I17 HydrophobicContact CG2-CD1 3.72Å; I13-I17 WeakPolarHBondContact O-CD1 3.44Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.03Å; I13-I17 VanDerWaalsContact O-N 3.14Å; I13-K36 HydrophobicContact CG2-CB 3.92Å; I13-K36 HydrophobicContact CG2-CD 3.67Å; I13-K36 HydrophobicContact CG2-CG 4.47Å
14	F	60.9	Low	56.2	Low	13 Å²	13	79.9 Å²	79.9	6%	0.057	42%	0.421	C	S	.	.	H	α-helix	trans	-64.4	-54.6	176.1	-83.7	-93.1	0	0	0	112	I10 K11 K12 G16 I17 F18 A33 I37 L53 L56	I10-F14 HydrophobicContact CG2-CD2 3.77Å; I10-F14 HydrophobicContact CG2-CE2 3.66Å; I10-F14 VanDerWaalsContact O-CD2 3.3Å; I10-F14 WeakPolarHBondContact O-CD2 3.4Å; I10-F14 PolarHBondContact O-N 3.04Å; K11-F14 CarbonylContact O-C 3.22Å; K11-F14 WeakPolarHBondContact O-CB 3.34Å; K11-F14 PolarHBondContact O-N 2.86Å; K11-F14 VanDerWaalsContact O-N 3.11Å; K12-F14 VanDerWaalsContact C-N 3.32Å; F14-G16 PolarHBondContact O-N 2.85Å; F14-G16 VanDerWaalsContact O-N 3.16Å; F14-I17 PolarHBondContact O-N 3.29Å; F14-F18 HydrophobicContact CB-CD2 4.33Å; F14-F18 AromaticContact CD1-CD2 3.83Å; F14-F18 HydrophobicContact CD1-CD2 3.83Å; F14-F18 AromaticContact CD1-CE2 3.34Å; F14-F18 HydrophobicContact CD1-CE2 3.34Å; F14-F18 HydrophobicContact CD1-CZ 4.37Å; F14-F18 AromaticContact CE1-CE2 3.83Å; F14-F18 HydrophobicContact CE1-CE2 3.83Å; F14-F18 HydrophobicContact CG-CE2 4.38Å; F14-F18 WeakPolarHBondContact O-CD2 3.41Å; F14-F18 PolarHBondContact O-N 2.86Å; F14-A33 HydrophobicContact CE1-CB 4.4Å; F14-A33 HydrophobicContact CZ-CB 4.36Å; F14-I37 HydrophobicContact CE2-CD1 3.66Å; F14-I37 HydrophobicContact CE2-CG1 4.34Å; F14-I37 HydrophobicContact CZ-CD1 3.8Å; F14-L53 HydrophobicContact CE1-CD2 3.48Å; F14-L53 VanDerWaalsContact CE1-CD2 3.48Å; F14-L53 HydrophobicContact CE2-CD2 4.42Å; F14-L53 HydrophobicContact CZ-CD2 3.23Å; F14-L53 HydrophobicContact CZ-CG 4.05Å; F14-L56 HydrophobicContact CD1-CD1 3.86Å; F14-L56 HydrophobicContact CD2-CD1 4.07Å; F14-L56 HydrophobicContact CE1-CB 4.17Å; F14-L56 HydrophobicContact CE1-CD1 3.29Å; F14-L56 HydrophobicContact CE1-CG 4.34Å; F14-L56 HydrophobicContact CE2-CD1 3.49Å; F14-L56 VanDerWaalsContact CE2-CD1 3.49Å; F14-L56 HydrophobicContact CG-CD1 4.25Å; F14-L56 HydrophobicContact CZ-CD1 3.07Å; F14-L56 HydrophobicContact CZ-CG 4.44Å
15	D	62.8	Low	56.7	Low	87 Å²	87	73.8 Å²	73.8	47%	0.465	41%	0.405	S	S	.	.	H	α-helix	trans	-54.6	-38.4	178.7	-68.1	-16.6	0	0	0	110.9	K11 S19	K11-D15 WeakPolarHBondContact CE-OD2 3.33Å; K11-D15 PolarHBondContact O-N 2.91Å; D15-S19 WeakPolarHBondContact O-CB 3.46Å; D15-S19 PolarHBondContact O-N 2.78Å; D15-S19 PolarHBondContact O-OG 3.5Å
16	G	63.5	Low	57.1	Low	46 Å²	46	78 Å²	78	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-72.9	-21.2	176.7	0	0	0	0	0	115.4	K12 F14	K12-G16 PolarHBondContact O-N 2.78Å; F14-G16 PolarHBondContact O-N 2.85Å; F14-G16 VanDerWaalsContact O-N 3.16Å
17	I	57.8	Low	57.3	Low	15 Å²	15	79.9 Å²	79.9	8%	0.077	43%	0.429	C	S	.	.	H	α-helix	trans	-91.2	-44.4	176	-62.4	162.9	0	0	0	110.5	I13 F14 V20 T29 I32 A33 K36	I13-I17 HydrophobicContact CG2-CD1 3.72Å; I13-I17 WeakPolarHBondContact O-CD1 3.44Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.03Å; I13-I17 VanDerWaalsContact O-N 3.14Å; F14-I17 PolarHBondContact O-N 3.29Å; I17-V20 PolarHBondContact O-N 3.06Å; I17-T29 HydrophobicContact CG2-CG2 3.4Å; I17-I32 HydrophobicContact CD1-CG2 4.14Å; I17-A33 HydrophobicContact CD1-CB 3.65Å; I17-K36 HydrophobicContact CD1-CD 4.23Å
18	F	55.4	Low	57.7	Low	53 Å²	53	83.9 Å²	83.9	23%	0.232	44%	0.441	C	S	.	.	H	α-helix	trans	-84	-12.2	-176.2	-70.6	-85.3	0	0	0	114	F14 V20 T29 L57	F14-F18 HydrophobicContact CB-CD2 4.33Å; F14-F18 AromaticContact CD1-CD2 3.83Å; F14-F18 HydrophobicContact CD1-CD2 3.83Å; F14-F18 AromaticContact CD1-CE2 3.34Å; F14-F18 HydrophobicContact CD1-CE2 3.34Å; F14-F18 HydrophobicContact CD1-CZ 4.37Å; F14-F18 AromaticContact CE1-CE2 3.83Å; F14-F18 HydrophobicContact CE1-CE2 3.83Å; F14-F18 HydrophobicContact CG-CE2 4.38Å; F14-F18 WeakPolarHBondContact O-CD2 3.41Å; F14-F18 PolarHBondContact O-N 2.86Å; F18-V20 PolarHBondContact O-N 3.28Å; F18-T29 HydrophobicContact CD1-CG2 4.14Å; F18-T29 HydrophobicContact CD2-CG2 4.43Å; F18-T29 HydrophobicContact CE1-CG2 3.56Å; F18-T29 HydrophobicContact CE2-CG2 3.83Å; F18-T29 HydrophobicContact CZ-CG2 3.38Å; F18-L57 HydrophobicContact CE1-CD2 3.68Å; F18-L57 HydrophobicContact CZ-CD2 3.59Å
19	S	56.2	Low	57.7	Low	93 Å²	93	80.1 Å²	80.1	65%	0.65	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	168.6	50.6	0	0	0	0	113.3	D15 D21	D15-S19 WeakPolarHBondContact O-CB 3.46Å; D15-S19 PolarHBondContact O-N 2.78Å; D15-S19 PolarHBondContact O-OG 3.5Å; S19-D21 PolarHBondContact O-N 2.97Å
20	V	46.8	Very low	57.8	Low	88 Å²	88	79.8 Å²	79.8	53%	0.533	41%	0.41	S	S	.	.	S	Bend	trans	-96.9	93.1	179.6	-166.4	0	0	0	0	108.7	I17 F18	I17-V20 PolarHBondContact O-N 3.06Å; F18-V20 PolarHBondContact O-N 3.28Å
21	D	44.8	Very low	58.1	Low	100 Å²	100	84 Å²	84	54%	0.535	43%	0.428	S	S	.	.			trans	65.9	122.1	162.3	-145.4	-48.2	0	0	0	116.3	S19 N23 V24	S19-D21 PolarHBondContact O-N 2.97Å; D21-N23 PolarHBondContact O-N 3.21Å; D21-N23 WeakPolarHBondContact OD1-CB 3.47Å; D21-N23 PolarHBondContact OD1-N 3.06Å; D21-N23 PolarHBondContact OD1-ND2 3.43Å; D21-V24 WeakPolarHBondContact O-CB 3.3Å; D21-V24 PolarHBondContact O-N 3.47Å
22	E	51.3	Low	58.4	Low	201 Å²	201	82 Å²	82	94%	0.939	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.6	173.5	-65.2	-177.2	157.3	0	0	112.6
23	N	50	Low	58.5	Low	141 Å²	141	75.4 Å²	75.4	75%	0.754	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7.8	175.7	-56.7	-69.6	0	0	0	113.9	D21 D25	D21-N23 PolarHBondContact O-N 3.21Å; D21-N23 WeakPolarHBondContact OD1-CB 3.47Å; D21-N23 PolarHBondContact OD1-N 3.06Å; D21-N23 PolarHBondContact OD1-ND2 3.43Å; N23-D25 PolarHBondContact O-N 3.06Å
24	V	54.9	Low	58.6	Low	46 Å²	46	75 Å²	75	28%	0.279	39%	0.39	S	S	.	.	S	Bend	trans	-66.9	136.7	179.2	95.5	0	0	0	0	110.3	D21 I26 T29	D21-V24 WeakPolarHBondContact O-CB 3.3Å; D21-V24 PolarHBondContact O-N 3.47Å; V24-I26 PolarHBondContact O-N 3.14Å; V24-T29 HydrophobicContact CG1-CG2 4.4Å; V24-T29 WeakPolarHBondContact CG1-OG1 3.45Å
25	D	59.9	Low	58.8	Low	97 Å²	97	82.5 Å²	82.5	52%	0.519	42%	0.418	S	S	.	.			trans	-59.6	110.7	173.6	-179	-31.5	0	0	0	109.2	N23 E27 Y28 T29	N23-D25 PolarHBondContact O-N 3.06Å; D25-E27 PolarHBondContact O-N 2.84Å; D25-E27 WeakPolarHBondContact OD1-CA 3.49Å; D25-E27 VanDerWaalsContact OD1-CB 3.28Å; D25-E27 WeakPolarHBondContact OD1-CB 3.28Å; D25-E27 PolarHBondContact OD1-N 2.96Å; D25-Y28 WeakPolarHBondContact O-CB 3.43Å; D25-Y28 PolarHBondContact O-N 3.41Å; D25-Y28 VanDerWaalsContact O-N 3.14Å; D25-Y28 PolarHBondContact OD1-N 2.58Å; D25-T29 WeakPolarHBondContact O-CB 3.23Å; D25-T29 PolarHBondContact O-N 3.49Å
26	I	57.8	Low	58.8	Low	106 Å²	106	83 Å²	83	54%	0.544	42%	0.416	S	S	.	.	H	α-helix	trans	-57.6	-37.7	-177.8	-64.1	173.3	0	0	0	110.6	V24 Y30 L57	V24-I26 PolarHBondContact O-N 3.14Å; I26-Y30 WeakPolarHBondContact O-CB 3.4Å; I26-Y30 PolarHBondContact O-N 3.32Å; I26-L57 HydrophobicContact CG2-CD1 3.66Å; I26-L57 HydrophobicContact CG2-CD2 3.9Å; I26-L57 HydrophobicContact CG2-CG 4.42Å
27	E	61.3	Low	58.9	Low	116 Å²	116	81.1 Å²	81.1	54%	0.542	40%	0.395	S	S	.	.	H	α-helix	trans	-68.9	-41.5	179.8	-167.2	-171.9	154.4	0	0	110.9	D25 Y30 K31	D25-E27 PolarHBondContact O-N 2.84Å; D25-E27 WeakPolarHBondContact OD1-CA 3.49Å; D25-E27 VanDerWaalsContact OD1-CB 3.28Å; D25-E27 WeakPolarHBondContact OD1-CB 3.28Å; D25-E27 PolarHBondContact OD1-N 2.96Å; E27-Y30 PolarHBondContact O-N 3.41Å; E27-K31 WeakPolarHBondContact O-CG 3.1Å; E27-K31 PolarHBondContact O-N 2.9Å; E27-K31 VanDerWaalsContact OE1-CE 3.29Å; E27-K31 WeakPolarHBondContact OE1-CE 3.4Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 3.34Å
28	Y	64	Low	59.1	Low	146 Å²	146	82.7 Å²	82.7	57%	0.573	40%	0.403	S	S	*	.	H	α-helix	trans	-63.2	-49	175.2	-176	-103.6	0	0	0	111.7	D25 Y30 K31 I32	D25-Y28 WeakPolarHBondContact O-CB 3.43Å; D25-Y28 PolarHBondContact O-N 3.41Å; D25-Y28 VanDerWaalsContact O-N 3.14Å; D25-Y28 PolarHBondContact OD1-N 2.58Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.25Å; Y28-K31 PolarHBondContact O-N 2.94Å; Y28-I32 HydrophobicContact CD1-CD1 3.77Å; Y28-I32 HydrophobicContact CE1-CD1 3.19Å; Y28-I32 HydrophobicContact CE1-CG1 4.27Å; Y28-I32 HydrophobicContact CE2-CD1 4.39Å; Y28-I32 PolarHBondContact O-N 3.47Å
29	T	58.3	Low	59.5	Low	4 Å²	4	88.1 Å²	88.1	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-60.2	-41.7	176.8	-81.6	0	0	0	0	111.7	I17 F18 V24 D25 K31 I32 A33	I17-T29 HydrophobicContact CG2-CG2 3.4Å; F18-T29 HydrophobicContact CD1-CG2 4.14Å; F18-T29 HydrophobicContact CD2-CG2 4.43Å; F18-T29 HydrophobicContact CE1-CG2 3.56Å; F18-T29 HydrophobicContact CE2-CG2 3.83Å; F18-T29 HydrophobicContact CZ-CG2 3.38Å; V24-T29 HydrophobicContact CG1-CG2 4.4Å; V24-T29 WeakPolarHBondContact CG1-OG1 3.45Å; D25-T29 WeakPolarHBondContact O-CB 3.23Å; D25-T29 PolarHBondContact O-N 3.49Å; T29-K31 PolarHBondContact O-N 2.87Å; T29-I32 PolarHBondContact O-N 3.3Å; T29-A33 WeakPolarHBondContact O-CB 3.38Å; T29-A33 PolarHBondContact O-N 3.47Å
30	Y	63.6	Low	59.9	Low	50 Å²	50	86.5 Å²	86.5	20%	0.196	41%	0.413	C	S	.	.	H	α-helix	trans	-58.2	-48.6	174.3	178.2	-85.9	0	0	0	111.6	I26 E27 Y28 I32 A33 Q34 S50 L53 L57	I26-Y30 WeakPolarHBondContact O-CB 3.4Å; I26-Y30 PolarHBondContact O-N 3.32Å; E27-Y30 PolarHBondContact O-N 3.41Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.25Å; Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.4Å; Y30-A33 PolarHBondContact O-N 2.9Å; Y30-Q34 VanDerWaalsContact O-CB 3.27Å; Y30-Q34 WeakPolarHBondContact O-CB 3.35Å; Y30-Q34 PolarHBondContact O-N 3.23Å; Y30-S50 WeakPolarHBondContact OH-CA 3.46Å; Y30-S50 WeakPolarHBondContact OH-CB 3.31Å; Y30-S50 PolarHBondContact OH-O 3.1Å; Y30-L53 HydrophobicContact CD2-CB 3.6Å; Y30-L53 HydrophobicContact CD2-CD1 4.19Å; Y30-L53 HydrophobicContact CD2-CD2 4.31Å; Y30-L53 HydrophobicContact CD2-CG 4.29Å; Y30-L53 HydrophobicContact CE1-CD1 4.44Å; Y30-L53 HydrophobicContact CE2-CB 3.21Å; Y30-L53 HydrophobicContact CE2-CD1 4.05Å; Y30-L53 HydrophobicContact CE2-CG 4.18Å; Y30-L57 HydrophobicContact CD2-CD1 3.58Å; Y30-L57 HydrophobicContact CE2-CD1 4.35Å; Y30-L57 HydrophobicContact CG-CD1 4.42Å
31	K	65.2	Low	60.5	Low	98 Å²	98	84.9 Å²	84.9	43%	0.426	40%	0.398	S	S	.	.	H	α-helix	trans	-62.9	-37.4	179.1	-73.9	173.3	-174.2	165.5	0	112.2	E27 Y28 T29 R35	E27-K31 WeakPolarHBondContact O-CG 3.1Å; E27-K31 PolarHBondContact O-N 2.9Å; E27-K31 VanDerWaalsContact OE1-CE 3.29Å; E27-K31 WeakPolarHBondContact OE1-CE 3.4Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 3.34Å; Y28-K31 PolarHBondContact O-N 2.94Å; T29-K31 PolarHBondContact O-N 2.87Å; K31-R35 WeakPolarHBondContact O-CG 3.39Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.13Å
32	I	65.5	Low	61.3	Low	50 Å²	50	87.9 Å²	87.9	26%	0.256	41%	0.414	S	S	.	.	H	α-helix	trans	-67.5	-49.4	175.9	-69.9	176.4	0	0	0	111	I17 Y28 T29 Y30 Q34 R35 K36	I17-I32 HydrophobicContact CD1-CG2 4.14Å; Y28-I32 HydrophobicContact CD1-CD1 3.77Å; Y28-I32 HydrophobicContact CE1-CD1 3.19Å; Y28-I32 HydrophobicContact CE1-CG1 4.27Å; Y28-I32 HydrophobicContact CE2-CD1 4.39Å; Y28-I32 PolarHBondContact O-N 3.47Å; T29-I32 PolarHBondContact O-N 3.3Å; Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.4Å; I32-Q34 VanDerWaalsContact C-N 3.28Å; I32-Q34 PolarHBondContact O-N 3.5Å; I32-R35 PolarHBondContact O-N 2.82Å; I32-K36 HydrophobicContact CG2-CD 4.33Å; I32-K36 PolarHBondContact O-N 3.48Å
33	A	65.4	Low	62	Low	0 Å²	0	83.4 Å²	83.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-40.8	-179.9	0	0	0	0	0	110.8	F14 I17 T29 Y30 R35 K36 I37 L53	F14-A33 HydrophobicContact CE1-CB 4.4Å; F14-A33 HydrophobicContact CZ-CB 4.36Å; I17-A33 HydrophobicContact CD1-CB 3.65Å; T29-A33 WeakPolarHBondContact O-CB 3.38Å; T29-A33 PolarHBondContact O-N 3.47Å; Y30-A33 PolarHBondContact O-N 2.9Å; A33-R35 PolarHBondContact O-N 3.28Å; A33-K36 PolarHBondContact O-N 3.15Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.5Å; A33-I37 PolarHBondContact O-N 3.18Å; A33-L53 HydrophobicContact CB-CD2 3.47Å; A33-L53 VanDerWaalsContact CB-CD2 3.47Å
34	Q	64.5	Low	62.7	Low	25 Å²	25	77.5 Å²	77.5	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-50.2	176.3	-167.6	-178.3	40.3	0	0	112.2	Y30 I32 K36 I37 I38 L46 A49 S50 L53	Y30-Q34 VanDerWaalsContact O-CB 3.27Å; Y30-Q34 WeakPolarHBondContact O-CB 3.35Å; Y30-Q34 PolarHBondContact O-N 3.23Å; I32-Q34 VanDerWaalsContact C-N 3.28Å; I32-Q34 PolarHBondContact O-N 3.5Å; Q34-K36 VanDerWaalsContact C-N 3.34Å; Q34-K36 PolarHBondContact O-N 3.39Å; Q34-I37 PolarHBondContact O-N 3.17Å; Q34-I38 HydrophobicContact CG-CD1 3.93Å; Q34-I38 WeakPolarHBondContact O-CD1 3.49Å; Q34-I38 VanDerWaalsContact O-CG1 3.31Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 3.45Å; Q34-L46 VanDerWaalsContact CD-CD1 3.43Å; Q34-L46 HydrophobicContact CG-CD1 4.03Å; Q34-L46 VanDerWaalsContact NE2-CD1 3.27Å; Q34-L46 PolarHBondContact NE2-O 3.08Å; Q34-A49 HydrophobicContact CG-CB 4.15Å; Q34-S50 PolarHBondContact NE2-OG 3.29Å; Q34-L53 HydrophobicContact CB-CD1 3.32Å; Q34-L53 HydrophobicContact CG-CD1 3.79Å
35	R	65.1	Low	63.4	Low	171 Å²	171	77.8 Å²	77.8	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-59.8	-46.6	177	-75.8	176.4	175	173.7	-1	110.5	K31 I32 A33 I37 I38 F39	K31-R35 WeakPolarHBondContact O-CG 3.39Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.13Å; I32-R35 PolarHBondContact O-N 2.82Å; A33-R35 PolarHBondContact O-N 3.28Å; R35-I37 PolarHBondContact O-N 2.97Å; R35-I38 PolarHBondContact O-N 3.21Å; R35-F39 HydrophobicContact CB-CD2 4.4Å; R35-F39 WeakPolarHBondContact O-CB 3.12Å; R35-F39 WeakPolarHBondContact O-CD2 3.17Å; R35-F39 PolarHBondContact O-N 2.68Å
36	K	64	Low	63.7	Low	98 Å²	98	78.2 Å²	78.2	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-43.3	178.1	-75.4	-174.9	180	177.9	0	112.1	I13 I17 I32 A33 Q34 F39 T40	I13-K36 HydrophobicContact CG2-CB 3.92Å; I13-K36 HydrophobicContact CG2-CD 3.67Å; I13-K36 HydrophobicContact CG2-CG 4.47Å; I17-K36 HydrophobicContact CD1-CD 4.23Å; I32-K36 HydrophobicContact CG2-CD 4.33Å; I32-K36 PolarHBondContact O-N 3.48Å; A33-K36 PolarHBondContact O-N 3.15Å; Q34-K36 VanDerWaalsContact C-N 3.34Å; Q34-K36 PolarHBondContact O-N 3.39Å; K36-F39 PolarHBondContact O-N 3.09Å; K36-T40 WeakPolarHBondContact O-CB 3.28Å; K36-T40 PolarHBondContact O-N 3.27Å; K36-T40 PolarHBondContact O-OG1 3.04Å
37	I	64.5	Low	64.4	Low	5 Å²	5	76.8 Å²	76.8	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-49.4	178.1	-68.1	163.5	0	0	0	110.8	F14 A33 Q34 R35 F39 T40 R41 L44 A49 L53	F14-I37 HydrophobicContact CE2-CD1 3.66Å; F14-I37 HydrophobicContact CE2-CG1 4.34Å; F14-I37 HydrophobicContact CZ-CD1 3.8Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.5Å; A33-I37 PolarHBondContact O-N 3.18Å; Q34-I37 PolarHBondContact O-N 3.17Å; R35-I37 PolarHBondContact O-N 2.97Å; I37-F39 PolarHBondContact O-N 3.15Å; I37-T40 PolarHBondContact O-N 2.88Å; I37-R41 PolarHBondContact O-N 3.31Å; I37-L44 HydrophobicContact CG2-CD1 3.48Å; I37-L44 VanDerWaalsContact CG2-CD1 3.48Å; I37-A49 HydrophobicContact CB-CB 4.5Å; I37-A49 HydrophobicContact CG2-CB 4.03Å; I37-L53 HydrophobicContact CD1-CD1 4.2Å; I37-L53 HydrophobicContact CD1-CD2 4.14Å; I37-L53 HydrophobicContact CD1-CG 3.91Å
38	I	63.3	Low	64.8	Low	48 Å²	48	73.3 Å²	73.3	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-44.5	178.8	-64.7	161.9	0	0	0	111	Q34 R35 T40 R41 L46 A49	Q34-I38 HydrophobicContact CG-CD1 3.93Å; Q34-I38 WeakPolarHBondContact O-CD1 3.49Å; Q34-I38 VanDerWaalsContact O-CG1 3.31Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 3.45Å; R35-I38 PolarHBondContact O-N 3.21Å; I38-T40 PolarHBondContact O-N 3.26Å; I38-R41 CarbonylContact O-C 3.58Å; I38-R41 PolarHBondContact O-N 2.89Å; I38-L46 HydrophobicContact CD1-CB 4.32Å; I38-L46 HydrophobicContact CD1-CD1 3.45Å; I38-L46 VanDerWaalsContact CD1-CD1 3.45Å; I38-A49 HydrophobicContact CD1-CB 4.25Å; I38-A49 HydrophobicContact CG1-CB 3.82Å
39	F	63.1	Low	65.1	Low	167 Å²	167	66.3 Å²	66.3	73%	0.732	33%	0.329	S	S	*	.	H	α-helix	trans	-66.7	-25	178	-87.4	-68.2	0	0	0	113.6	R35 K36 I37	R35-F39 HydrophobicContact CB-CD2 4.4Å; R35-F39 WeakPolarHBondContact O-CB 3.12Å; R35-F39 WeakPolarHBondContact O-CD2 3.17Å; R35-F39 PolarHBondContact O-N 2.68Å; K36-F39 PolarHBondContact O-N 3.09Å; I37-F39 PolarHBondContact O-N 3.15Å
40	T	64.4	Low	65.5	Low	60 Å²	60	67.5 Å²	67.5	37%	0.368	34%	0.337	S	S	.	.	H	α-helix	trans	-90.3	-19.7	179.5	-36.2	0	0	0	0	111.7	P5 K36 I37 I38	P5-T40 HydrophobicContact CB-CG2 3.49Å; P5-T40 VanDerWaalsContact CB-CG2 3.49Å; P5-T40 WeakPolarHBondContact CD-O 3.29Å; P5-T40 HydrophobicContact CG-CG2 3.36Å; P5-T40 VanDerWaalsContact CG-O 3.25Å; P5-T40 WeakPolarHBondContact CG-O 3.36Å; K36-T40 WeakPolarHBondContact O-CB 3.28Å; K36-T40 PolarHBondContact O-N 3.27Å; K36-T40 PolarHBondContact O-OG1 3.04Å; I37-T40 PolarHBondContact O-N 2.88Å; I38-T40 PolarHBondContact O-N 3.26Å
41	R	59.4	Low	65.6	Low	54 Å²	54	69 Å²	69	20%	0.204	35%	0.352	C	S	.	.			trans	-131.3	94	177.9	-81	-164.1	67.9	169.6	7.1	109.9	P5 I37 I38 D43 L44	P5-R41 HydrophobicContact CG-CG 3.6Å; I37-R41 PolarHBondContact O-N 3.31Å; I38-R41 CarbonylContact O-C 3.58Å; I38-R41 PolarHBondContact O-N 2.89Å; R41-D43 VanDerWaalsContact CB-OD1 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.39Å; R41-D43 IonicContact CZ-OD1 3.89Å; R41-D43 IonicContact CZ-OD2 3.5Å; R41-D43 IonicContact NE-OD1 3.1Å; R41-D43 PolarHBondContact NE-OD1 2.65Å; R41-D43 VanDerWaalsContact NE-OD1 3.1Å; R41-D43 IonicContact NE-OD2 3.48Å; R41-D43 PolarHBondContact NE-OD2 3.31Å; R41-D43 IonicContact NH2-OD1 3.82Å; R41-D43 IonicContact NH2-OD2 2.71Å; R41-D43 PolarHBondContact NH2-OD2 3.49Å; R41-D43 PolarHBondContact O-N 3.18Å; R41-L44 HydrophobicContact CB-CB 4.06Å; R41-L44 HydrophobicContact CB-CD1 3.72Å; R41-L44 HydrophobicContact CB-CG 3.88Å; R41-L44 HydrophobicContact CG-CD1 4.14Å; R41-L44 PolarHBondContact O-N 2.89Å
42	D	62.3	Low	65.7	Low	163 Å²	163	64.6 Å²	64.6	87%	0.872	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-18.9	176.6	-68.2	-37.3	0	0	0	113.1
43	D	64.8	Low	65.9	Low	107 Å²	107	62.2 Å²	62.2	57%	0.572	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.2	179.3	64.3	-40.3	0	0	0	114.3	R41	R41-D43 VanDerWaalsContact CB-OD1 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.39Å; R41-D43 IonicContact CZ-OD1 3.89Å; R41-D43 IonicContact CZ-OD2 3.5Å; R41-D43 IonicContact NE-OD1 3.1Å; R41-D43 PolarHBondContact NE-OD1 2.65Å; R41-D43 VanDerWaalsContact NE-OD1 3.1Å; R41-D43 IonicContact NE-OD2 3.48Å; R41-D43 PolarHBondContact NE-OD2 3.31Å; R41-D43 IonicContact NH2-OD1 3.82Å; R41-D43 IonicContact NH2-OD2 2.71Å; R41-D43 PolarHBondContact NH2-OD2 3.49Å; R41-D43 PolarHBondContact O-N 3.18Å
44	L	64.9	Low	65.9	Low	17 Å²	17	67.8 Å²	67.8	9%	0.089	35%	0.345	C	S	.	.			trans	-88.9	113.7	178.1	-81.6	175.6	0	0	0	111.4	I37 R41 T48 L52	I37-L44 HydrophobicContact CG2-CD1 3.48Å; I37-L44 VanDerWaalsContact CG2-CD1 3.48Å; R41-L44 HydrophobicContact CB-CB 4.06Å; R41-L44 HydrophobicContact CB-CD1 3.72Å; R41-L44 HydrophobicContact CB-CG 3.88Å; R41-L44 HydrophobicContact CG-CD1 4.14Å; R41-L44 PolarHBondContact O-N 2.89Å; L44-T48 HydrophobicContact CD2-CG2 3.43Å; L44-T48 VanDerWaalsContact CD2-CG2 3.43Å; L44-L52 HydrophobicContact CD1-CD1 4.4Å; L44-L52 HydrophobicContact CD2-CD1 4.29Å
45	S	69.1	Low	65.7	Low	51 Å²	51	67.7 Å²	67.7	36%	0.357	35%	0.348	S	S	.	.			trans	-61.7	152.6	169.1	77.7	0	0	0	0	111.6	S47 T48 A49	S45-S47 PolarHBondContact O-N 3.3Å; S45-S47 PolarHBondContact OG-OG 3.13Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 VanDerWaalsContact O-N 3.11Å; S45-T48 PolarHBondContact OG-N 3.03Å; S45-T48 VanDerWaalsContact OG-N 3.12Å; S45-T48 PolarHBondContact OG-OG1 3.43Å; S45-A49 PolarHBondContact O-N 3.3Å
46	L	67.9	Low	65.7	Low	106 Å²	106	60.5 Å²	60.5	56%	0.555	32%	0.322	S	S	*	.	H	α-helix	trans	-53.4	-38.4	175.2	-178.9	67.7	0	0	0	112	Q34 I38 S50	Q34-L46 VanDerWaalsContact CD-CD1 3.43Å; Q34-L46 HydrophobicContact CG-CD1 4.03Å; Q34-L46 VanDerWaalsContact NE2-CD1 3.27Å; Q34-L46 PolarHBondContact NE2-O 3.08Å; I38-L46 HydrophobicContact CD1-CB 4.32Å; I38-L46 HydrophobicContact CD1-CD1 3.45Å; I38-L46 VanDerWaalsContact CD1-CD1 3.45Å; L46-S50 WeakPolarHBondContact O-CB 3.27Å; L46-S50 PolarHBondContact O-N 3.49Å; L46-S50 PolarHBondContact O-OG 3.31Å
47	S	72.2	Confident	65.6	Low	76 Å²	76	58.1 Å²	58.1	53%	0.531	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-44.8	178	48.6	0	0	0	0	111.6	S45 A49 S50 V51	S45-S47 PolarHBondContact O-N 3.3Å; S45-S47 PolarHBondContact OG-OG 3.13Å; S47-A49 PolarHBondContact O-N 2.86Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.14Å; S47-S50 PolarHBondContact O-N 3.02Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.13Å
48	T	69.4	Low	65.3	Low	43 Å²	43	64.6 Å²	64.6	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-46.6	177.1	-49.3	0	0	0	0	111.2	L44 S45 S50 V51 L52	L44-T48 HydrophobicContact CD2-CG2 3.43Å; L44-T48 VanDerWaalsContact CD2-CG2 3.43Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 VanDerWaalsContact O-N 3.11Å; S45-T48 PolarHBondContact OG-N 3.03Å; S45-T48 VanDerWaalsContact OG-N 3.12Å; S45-T48 PolarHBondContact OG-OG1 3.43Å; T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.48Å; T48-V51 PolarHBondContact O-N 3.49Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.26Å; T48-L52 PolarHBondContact O-N 2.86Å
49	A	69.6	Low	64.8	Low	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-39.6	175.7	0	0	0	0	0	112	Q34 I37 I38 S45 S47 L52 L53	Q34-A49 HydrophobicContact CG-CB 4.15Å; I37-A49 HydrophobicContact CB-CB 4.5Å; I37-A49 HydrophobicContact CG2-CB 4.03Å; I38-A49 HydrophobicContact CD1-CB 4.25Å; I38-A49 HydrophobicContact CG1-CB 3.82Å; S45-A49 PolarHBondContact O-N 3.3Å; S47-A49 PolarHBondContact O-N 2.86Å; A49-L52 PolarHBondContact O-N 3.03Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 WeakPolarHBondContact O-CD1 3.44Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 2.99Å
50	S	66.4	Low	64.3	Low	29 Å²	29	64 Å²	64	20%	0.203	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-48.3	175.5	-58.4	0	0	0	0	112.6	Y30 Q34 L46 S47 T48 L52 L53 K54	Y30-S50 WeakPolarHBondContact OH-CA 3.46Å; Y30-S50 WeakPolarHBondContact OH-CB 3.31Å; Y30-S50 PolarHBondContact OH-O 3.1Å; Q34-S50 PolarHBondContact NE2-OG 3.29Å; L46-S50 WeakPolarHBondContact O-CB 3.27Å; L46-S50 PolarHBondContact O-N 3.49Å; L46-S50 PolarHBondContact O-OG 3.31Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.14Å; S47-S50 PolarHBondContact O-N 3.02Å; T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.48Å; S50-L52 VanDerWaalsContact C-N 3.34Å; S50-L52 PolarHBondContact O-N 3.48Å; S50-L53 PolarHBondContact O-N 2.99Å; S50-K54 WeakPolarHBondContact O-CB 3.25Å; S50-K54 PolarHBondContact O-N 3.45Å
51	V	67.5	Low	63.7	Low	82 Å²	82	67.4 Å²	67.4	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-43.5	-178.5	171.6	0	0	0	0	110.5	S47 T48 L53 K54 A55 L68	S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.13Å; T48-V51 PolarHBondContact O-N 3.49Å; V51-L53 PolarHBondContact O-N 3.32Å; V51-K54 PolarHBondContact O-N 2.98Å; V51-A55 VanDerWaalsContact O-CB 3.26Å; V51-A55 WeakPolarHBondContact O-CB 3.42Å; V51-A55 PolarHBondContact O-N 3.33Å; V51-L68 HydrophobicContact CG1-CD2 4.23Å
52	L	66.8	Low	63.2	Low	5 Å²	5	67.8 Å²	67.8	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-44.5	176.9	-69.4	169.9	0	0	0	112	L44 T48 A49 S50 A55 L56 L65 L68 L69	L44-L52 HydrophobicContact CD1-CD1 4.4Å; L44-L52 HydrophobicContact CD2-CD1 4.29Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.26Å; T48-L52 PolarHBondContact O-N 2.86Å; A49-L52 PolarHBondContact O-N 3.03Å; S50-L52 VanDerWaalsContact C-N 3.34Å; S50-L52 PolarHBondContact O-N 3.48Å; L52-A55 PolarHBondContact O-N 2.92Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 3.37Å; L52-L65 HydrophobicContact CB-CD1 3.78Å; L52-L65 HydrophobicContact CD2-CD1 3.62Å; L52-L65 HydrophobicContact CG-CD1 4.28Å; L52-L68 HydrophobicContact CD2-CB 4.13Å; L52-L68 HydrophobicContact CD2-CD2 3.77Å; L52-L69 HydrophobicContact CD1-CD2 3.56Å; L52-L69 HydrophobicContact CD1-CG 4.49Å; L52-L69 HydrophobicContact CD2-CD2 3.78Å; L52-L69 HydrophobicContact CD2-CG 3.9Å; L52-L69 HydrophobicContact CG-CD2 4.34Å
53	L	68.8	Low	62.3	Low	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-45	176.8	-81.9	160.1	0	0	0	112.9	F14 Y30 A33 Q34 I37 A49 S50 V51 A55 L56 L57	F14-L53 HydrophobicContact CE1-CD2 3.48Å; F14-L53 VanDerWaalsContact CE1-CD2 3.48Å; F14-L53 HydrophobicContact CE2-CD2 4.42Å; F14-L53 HydrophobicContact CZ-CD2 3.23Å; F14-L53 HydrophobicContact CZ-CG 4.05Å; Y30-L53 HydrophobicContact CD2-CB 3.6Å; Y30-L53 HydrophobicContact CD2-CD1 4.19Å; Y30-L53 HydrophobicContact CD2-CD2 4.31Å; Y30-L53 HydrophobicContact CD2-CG 4.29Å; Y30-L53 HydrophobicContact CE1-CD1 4.44Å; Y30-L53 HydrophobicContact CE2-CB 3.21Å; Y30-L53 HydrophobicContact CE2-CD1 4.05Å; Y30-L53 HydrophobicContact CE2-CG 4.18Å; A33-L53 HydrophobicContact CB-CD2 3.47Å; A33-L53 VanDerWaalsContact CB-CD2 3.47Å; Q34-L53 HydrophobicContact CB-CD1 3.32Å; Q34-L53 HydrophobicContact CG-CD1 3.79Å; I37-L53 HydrophobicContact CD1-CD1 4.2Å; I37-L53 HydrophobicContact CD1-CD2 4.14Å; I37-L53 HydrophobicContact CD1-CG 3.91Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 WeakPolarHBondContact O-CD1 3.44Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 2.99Å; S50-L53 PolarHBondContact O-N 2.99Å; V51-L53 PolarHBondContact O-N 3.32Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.18Å; L53-L56 WeakPolarHBondContact O-CB 3.4Å; L53-L56 PolarHBondContact O-N 3.49Å; L53-L56 VanDerWaalsContact O-N 3.13Å; L53-L57 PolarHBondContact O-N 3.14Å
54	K	65.9	Low	61.4	Low	117 Å²	117	64.8 Å²	64.8	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-44.8	177.5	-175.1	174.5	177.1	179.3	0	110.2	S50 V51 L56 L57 E58	S50-K54 WeakPolarHBondContact O-CB 3.25Å; S50-K54 PolarHBondContact O-N 3.45Å; V51-K54 PolarHBondContact O-N 2.98Å; K54-L56 VanDerWaalsContact C-N 3.25Å; K54-L56 PolarHBondContact O-N 2.6Å; K54-L57 PolarHBondContact O-N 2.71Å; K54-E58 WeakPolarHBondContact CE-OE1 3.44Å; K54-E58 HydrophobicContact CG-CG 4.34Å; K54-E58 IonicContact NZ-OE1 3.78Å; K54-E58 WeakPolarHBondContact O-CB 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.26Å; K54-E58 PolarHBondContact O-N 3.12Å
55	A	60.8	Low	60.5	Low	22 Å²	22	64 Å²	64	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-33.5	175.1	0	0	0	0	0	112.4	V51 L52 L53 S59	V51-A55 VanDerWaalsContact O-CB 3.26Å; V51-A55 WeakPolarHBondContact O-CB 3.42Å; V51-A55 PolarHBondContact O-N 3.33Å; L52-A55 PolarHBondContact O-N 2.92Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.18Å; A55-S59 WeakPolarHBondContact O-CA 3.18Å; A55-S59 VanDerWaalsContact O-CB 3.28Å; A55-S59 WeakPolarHBondContact O-CB 3.13Å; A55-S59 PolarHBondContact O-N 3Å; A55-S59 PolarHBondContact O-OG 2.99Å
56	L	63.9	Low	59.3	Low	20 Å²	20	63.8 Å²	63.8	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-72.6	-45.5	174.7	-82.5	160.7	0	0	0	113.4	F14 L52 L53 K54 S59 Y60 F62 L65	F14-L56 HydrophobicContact CD1-CD1 3.86Å; F14-L56 HydrophobicContact CD2-CD1 4.07Å; F14-L56 HydrophobicContact CE1-CB 4.17Å; F14-L56 HydrophobicContact CE1-CD1 3.29Å; F14-L56 HydrophobicContact CE1-CG 4.34Å; F14-L56 HydrophobicContact CE2-CD1 3.49Å; F14-L56 VanDerWaalsContact CE2-CD1 3.49Å; F14-L56 HydrophobicContact CG-CD1 4.25Å; F14-L56 HydrophobicContact CZ-CD1 3.07Å; F14-L56 HydrophobicContact CZ-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 3.37Å; L53-L56 WeakPolarHBondContact O-CB 3.4Å; L53-L56 PolarHBondContact O-N 3.49Å; L53-L56 VanDerWaalsContact O-N 3.13Å; K54-L56 VanDerWaalsContact C-N 3.25Å; K54-L56 PolarHBondContact O-N 2.6Å; L56-S59 WeakPolarHBondContact O-CA 3.42Å; L56-S59 PolarHBondContact O-N 3.2Å; L56-Y60 PolarHBondContact O-N 3.06Å; L56-F62 HydrophobicContact CD2-CD2 4.14Å; L56-L65 HydrophobicContact CD1-CB 4.37Å; L56-L65 HydrophobicContact CD1-CD1 3.51Å; L56-L65 HydrophobicContact CD1-CD2 3.53Å; L56-L65 HydrophobicContact CD1-CG 3.88Å; L56-L65 HydrophobicContact CD2-CB 3.59Å; L56-L65 HydrophobicContact CD2-CD1 4.34Å; L56-L65 HydrophobicContact CD2-CD2 3.77Å; L56-L65 HydrophobicContact CD2-CG 4.01Å; L56-L65 HydrophobicContact CG-CB 3.81Å; L56-L65 HydrophobicContact CG-CD1 3.66Å; L56-L65 HydrophobicContact CG-CD2 3.9Å; L56-L65 HydrophobicContact CG-CG 3.89Å
57	L	61.9	Low	58.2	Low	48 Å²	48	65 Å²	65	25%	0.251	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-47.3	-180	-75.3	179.3	0	0	0	111.6	F18 I26 Y30 L53 K54 S59	F18-L57 HydrophobicContact CE1-CD2 3.68Å; F18-L57 HydrophobicContact CZ-CD2 3.59Å; I26-L57 HydrophobicContact CG2-CD1 3.66Å; I26-L57 HydrophobicContact CG2-CD2 3.9Å; I26-L57 HydrophobicContact CG2-CG 4.42Å; Y30-L57 HydrophobicContact CD2-CD1 3.58Å; Y30-L57 HydrophobicContact CE2-CD1 4.35Å; Y30-L57 HydrophobicContact CG-CD1 4.42Å; L53-L57 PolarHBondContact O-N 3.14Å; K54-L57 PolarHBondContact O-N 2.71Å; L57-S59 PolarHBondContact O-N 3.46Å
58	E	58.4	Low	56.8	Low	142 Å²	142	64.6 Å²	64.6	66%	0.664	32%	0.322	S	S	*	.	H	α-helix	trans	-71.1	-26.7	174.2	-65.7	179.4	170.1	0	0	111.4	K54	K54-E58 WeakPolarHBondContact CE-OE1 3.44Å; K54-E58 HydrophobicContact CG-CG 4.34Å; K54-E58 IonicContact NZ-OE1 3.78Å; K54-E58 WeakPolarHBondContact O-CB 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.26Å; K54-E58 PolarHBondContact O-N 3.12Å
59	S	53.1	Low	55.7	Low	18 Å²	18	63.2 Å²	63.2	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-53.6	-70	173.9	94.8	0	0	0	0	115	A55 L56 L57 H61	A55-S59 WeakPolarHBondContact O-CA 3.18Å; A55-S59 VanDerWaalsContact O-CB 3.28Å; A55-S59 WeakPolarHBondContact O-CB 3.13Å; A55-S59 PolarHBondContact O-N 3Å; A55-S59 PolarHBondContact O-OG 2.99Å; L56-S59 WeakPolarHBondContact O-CA 3.42Å; L56-S59 PolarHBondContact O-N 3.2Å; L57-S59 PolarHBondContact O-N 3.46Å; S59-H61 PolarHBondContact O-CD2 2.96Å; S59-H61 PolarHBondContact O-N 3.5Å
60	Y	53	Low	54.6	Low	184 Å²	184	66 Å²	66	72%	0.722	34%	0.336	S	S	*	.			trans	33.8	13.1	-144.8	-113.8	-85	0	0	0	116.3	L56	L56-Y60 PolarHBondContact O-N 3.06Å
61	H	51.2	Low	53.5	Low	131 Å²	131	70.8 Å²	70.8	61%	0.606	36%	0.359	S	S	*	.			trans	-122.5	87.2	176.2	-69.5	-67.1	0	0	0	105.8	S59 S63 K64	S59-H61 PolarHBondContact O-CD2 2.96Å; S59-H61 PolarHBondContact O-N 3.5Å; H61-S63 PolarHBondContact O-N 3.11Å; H61-K64 PolarHBondContact O-N 3.2Å
62	F	50.4	Low	52.2	Low	63 Å²	63	72 Å²	72	28%	0.276	36%	0.363	S	S	.	.	H	α-helix	trans	-43.2	-27.7	174.7	-178.8	-100.3	0	0	0	113.7	I7 K11 L56 K64 L65 V66	I7-F62 HydrophobicContact CG2-CE1 4.43Å; I7-F62 HydrophobicContact CG2-CZ 3.93Å; K11-F62 HydrophobicContact CB-CE2 3.62Å; K11-F62 HydrophobicContact CB-CZ 3.59Å; K11-F62 HydrophobicContact CD-CD1 4.48Å; K11-F62 HydrophobicContact CD-CE1 3.97Å; K11-F62 HydrophobicContact CD-CE2 4.06Å; K11-F62 HydrophobicContact CD-CZ 3.76Å; K11-F62 HydrophobicContact CG-CD2 4.18Å; K11-F62 HydrophobicContact CG-CE1 4.39Å; K11-F62 HydrophobicContact CG-CE2 3.57Å; K11-F62 HydrophobicContact CG-CZ 3.71Å; L56-F62 HydrophobicContact CD2-CD2 4.14Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3Å; F62-L65 HydrophobicContact CD2-CD2 4.16Å; F62-L65 HydrophobicContact CE2-CD2 3.81Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 3.22Å; F62-L65 VanDerWaalsContact O-N 3.09Å; F62-V66 HydrophobicContact CD1-CG2 3.67Å; F62-V66 HydrophobicContact CE1-CG2 3.28Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 WeakPolarHBondContact O-CG2 3.35Å; F62-V66 PolarHBondContact O-N 3.47Å; F62-V66 VanDerWaalsContact O-N 3.15Å
63	S	42.8	Very low	50.8	Low	70 Å²	70	81.4 Å²	81.4	49%	0.49	41%	0.413	S	S	.	.	H	α-helix	trans	-53.8	-38.7	176.3	55.5	0	0	0	0	114.1	H61 V66 H67	H61-S63 PolarHBondContact O-N 3.11Å; S63-V66 PolarHBondContact O-N 3.31Å; S63-H67 PolarHBondContact O-CD2 3.19Å; S63-H67 VanDerWaalsContact O-CD2 3.26Å; S63-H67 PolarHBondContact O-N 2.68Å
64	K	45.8	Very low	49.9	Very low	137 Å²	137	85.5 Å²	85.5	60%	0.596	43%	0.434	S	S	*	.	H	α-helix	trans	-70.2	-33.6	178	-74.2	-174	178.6	178.1	0	112.5	H61 F62 H67 L68	H61-K64 PolarHBondContact O-N 3.2Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3Å; K64-H67 PolarHBondContact O-N 3Å; K64-L68 PolarHBondContact O-N 3.33Å
65	L	44.9	Very low	49	Very low	1 Å²	1	83.8 Å²	83.8	1%	0.005	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-45.1	173.5	178.9	79.6	0	0	0	111	I10 L52 L56 F62 H67 L68 L69	I10-L65 HydrophobicContact CG2-CD2 4.34Å; L52-L65 HydrophobicContact CB-CD1 3.78Å; L52-L65 HydrophobicContact CD2-CD1 3.62Å; L52-L65 HydrophobicContact CG-CD1 4.28Å; L56-L65 HydrophobicContact CD1-CB 4.37Å; L56-L65 HydrophobicContact CD1-CD1 3.51Å; L56-L65 HydrophobicContact CD1-CD2 3.53Å; L56-L65 HydrophobicContact CD1-CG 3.88Å; L56-L65 HydrophobicContact CD2-CB 3.59Å; L56-L65 HydrophobicContact CD2-CD1 4.34Å; L56-L65 HydrophobicContact CD2-CD2 3.77Å; L56-L65 HydrophobicContact CD2-CG 4.01Å; L56-L65 HydrophobicContact CG-CB 3.81Å; L56-L65 HydrophobicContact CG-CD1 3.66Å; L56-L65 HydrophobicContact CG-CD2 3.9Å; L56-L65 HydrophobicContact CG-CG 3.89Å; F62-L65 HydrophobicContact CD2-CD2 4.16Å; F62-L65 HydrophobicContact CE2-CD2 3.81Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 3.22Å; F62-L65 VanDerWaalsContact O-N 3.09Å; L65-H67 VanDerWaalsContact C-N 3.25Å; L65-H67 PolarHBondContact O-N 3.14Å; L65-L68 PolarHBondContact O-N 2.86Å; L65-L68 VanDerWaalsContact O-N 3.12Å; L65-L69 HydrophobicContact CD1-CD1 4.3Å; L65-L69 HydrophobicContact CD1-CG 4.45Å; L65-L69 HydrophobicContact CD2-CD1 3.91Å; L65-L69 HydrophobicContact CG-CD1 3.9Å; L65-L69 HydrophobicContact CG-CG 4.37Å; L65-L69 PolarHBondContact O-N 3.05Å
66	V	44.6	Very low	48.4	Very low	46 Å²	46	87.2 Å²	87.2	28%	0.279	44%	0.444	S	S	.	.	H	α-helix	trans	-57.5	-42.4	-179	176	0	0	0	0	110.7	I7 F62 S63 A70	I7-V66 HydrophobicContact CD1-CG1 4.36Å; I7-V66 HydrophobicContact CG2-CG2 4.01Å; F62-V66 HydrophobicContact CD1-CG2 3.67Å; F62-V66 HydrophobicContact CE1-CG2 3.28Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 WeakPolarHBondContact O-CG2 3.35Å; F62-V66 PolarHBondContact O-N 3.47Å; F62-V66 VanDerWaalsContact O-N 3.15Å; S63-V66 PolarHBondContact O-N 3.31Å; V66-A70 WeakPolarHBondContact O-CB 2.81Å; V66-A70 PolarHBondContact O-N 3.12Å
67	H	45.3	Very low	47.5	Very low	131 Å²	131	91.2 Å²	91.2	61%	0.606	46%	0.464	S	S	*	.	H	α-helix	trans	-63.7	-44.9	175.3	-78.5	-64.2	0	0	0	112.6	S63 K64 L65 L69 A70 D71	S63-H67 PolarHBondContact O-CD2 3.19Å; S63-H67 VanDerWaalsContact O-CD2 3.26Å; S63-H67 PolarHBondContact O-N 2.68Å; K64-H67 PolarHBondContact O-N 3Å; L65-H67 VanDerWaalsContact C-N 3.25Å; L65-H67 PolarHBondContact O-N 3.14Å; H67-L69 VanDerWaalsContact C-N 3.28Å; H67-L69 PolarHBondContact O-N 2.93Å; H67-A70 PolarHBondContact O-N 2.9Å; H67-D71 PolarHBondContact O-N 2.71Å; H67-D71 VanDerWaalsContact O-N 3.14Å
68	L	42.9	Very low	46.6	Very low	67 Å²	67	93.9 Å²	93.9	35%	0.351	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-29.2	-178.4	-134.9	122.3	0	0	0	113.4	V51 L52 K64 L65 N72	V51-L68 HydrophobicContact CG1-CD2 4.23Å; L52-L68 HydrophobicContact CD2-CB 4.13Å; L52-L68 HydrophobicContact CD2-CD2 3.77Å; K64-L68 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 2.86Å; L65-L68 VanDerWaalsContact O-N 3.12Å; L68-N72 PolarHBondContact O-ND2 2.87Å
69	L	45.5	Very low	45.8	Very low	14 Å²	14	90.7 Å²	90.7	7%	0.073	46%	0.464	C	S	.	.	H	α-helix	trans	-77.5	-33.9	174.1	-76.2	173.6	0	0	0	112.8	I7 I10 L52 L65 H67 D71	I7-L69 HydrophobicContact CD1-CB 4.37Å; I7-L69 HydrophobicContact CG1-CB 4.35Å; I7-L69 HydrophobicContact CG1-CD1 4.09Å; I10-L69 HydrophobicContact CD1-CD1 3.79Å; I10-L69 HydrophobicContact CD1-CD2 4.38Å; L52-L69 HydrophobicContact CD1-CD2 3.56Å; L52-L69 HydrophobicContact CD1-CG 4.49Å; L52-L69 HydrophobicContact CD2-CD2 3.78Å; L52-L69 HydrophobicContact CD2-CG 3.9Å; L52-L69 HydrophobicContact CG-CD2 4.34Å; L65-L69 HydrophobicContact CD1-CD1 4.3Å; L65-L69 HydrophobicContact CD1-CG 4.45Å; L65-L69 HydrophobicContact CD2-CD1 3.91Å; L65-L69 HydrophobicContact CG-CD1 3.9Å; L65-L69 HydrophobicContact CG-CG 4.37Å; L65-L69 PolarHBondContact O-N 3.05Å; H67-L69 VanDerWaalsContact C-N 3.28Å; H67-L69 PolarHBondContact O-N 2.93Å; L69-D71 VanDerWaalsContact C-N 3.3Å
70	A	46.4	Very low	45.3	Very low	59 Å²	59	95.9 Å²	95.9	49%	0.488	49%	0.489	S	S	.	.	H	α-helix	trans	-70.5	-27.8	177.1	0	0	0	0	0	112.4	V66 H67	V66-A70 WeakPolarHBondContact O-CB 2.81Å; V66-A70 PolarHBondContact O-N 3.12Å; H67-A70 PolarHBondContact O-N 2.9Å
71	D	44.4	Very low	44.7	Very low	129 Å²	129	89.1 Å²	89.1	69%	0.69	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.3	-178.7	-72.3	-16	0	0	0	114.3	H67 L69	H67-D71 PolarHBondContact O-N 2.71Å; H67-D71 VanDerWaalsContact O-N 3.14Å; L69-D71 VanDerWaalsContact C-N 3.3Å
72	N	38.5	Very low	44.1	Very low	107 Å²	107	85.6 Å²	85.6	57%	0.572	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	16.9	-179.9	-82	-78	0	0	0	114.2	L68	L68-N72 PolarHBondContact O-ND2 2.87Å
73	D	38	Very low	43.5	Very low	203 Å²	203	87.6 Å²	87.6	100%	1.086	48%	0.476	S	S	*	.			trans	-92.9	0	161.1	-114	-30.9	0	0	0	109.3

Retrieved 73 of 73 residues in 16.6 ms (Link to these results)

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