A0A5K4F4S7_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F4S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 115 aa.

						>A0A5K4F4S7_SCHMA|A0A5K4F4S7
MSVSSKIHAILLILLFKFVYNNTSLYSACTKRLEILFRHCLLSSLISKRCLGLNEGVISSSYSGIEELKKLCNSCRGCEVSFMSCSVNKLDSIDNRECSQAKMYSNTFRRKLAGK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	42	Very low	143 Å²	143	89.5 Å²	89.5	70%	0.704	50%	0.497	S	S	*	.				0	123	0	-82.8	167.8	113.8	0	0	108.7	K6 S92	M1-K6 HydrophobicContact CE-CD 4.37Å; M1-K6 HydrophobicContact CE-CG 4.08Å; M1-K6 WeakPolarHBondContact SD-CE 3.42Å; M1-S92 WeakPolarHBondContact CE-O 3.28Å
2	S	33.7	Very low	42.7	Very low	90 Å²	90	88 Å²	88	63%	0.629	49%	0.487	S	S	*	.			trans	-75.6	131.9	171.1	-175.3	0	0	0	0	109	S4 S5	S2-S4 PolarHBondContact O-N 2.79Å; S2-S5 PolarHBondContact O-N 3.19Å; S2-S5 PolarHBondContact O-OG 2.9Å; S2-S5 VanDerWaalsContact O-OG 3.08Å
3	V	43	Very low	43.3	Very low	108 Å²	108	87.5 Å²	87.5	66%	0.655	48%	0.481	S	S	*	.	H	α-helix	trans	-49.1	-31.9	-177.3	178.1	0	0	0	0	112.1	S5 K6 I7	V3-S5 VanDerWaalsContact C-N 3.34Å; V3-S5 PolarHBondContact O-N 2.86Å; V3-K6 PolarHBondContact O-N 3.22Å; V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 3.38Å
4	S	40.9	Very low	43.5	Very low	64 Å²	64	88.5 Å²	88.5	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-54.7	-42.4	177.2	-177.5	0	0	0	0	113.2	S2 K6 I7 H8	S2-S4 PolarHBondContact O-N 2.79Å; S4-K6 PolarHBondContact O-N 3.4Å; S4-I7 PolarHBondContact O-N 3.38Å; S4-H8 PolarHBondContact O-N 2.83Å; S4-H8 VanDerWaalsContact O-N 3.15Å; S4-H8 PolarHBondContact O-ND1 3.17Å; S4-H8 PolarHBondContact OG-CE1 2.94Å; S4-H8 VanDerWaalsContact OG-CE1 3.3Å; S4-H8 PolarHBondContact OG-ND1 3.15Å
5	S	35.9	Very low	43.9	Very low	39 Å²	39	88.7 Å²	88.7	27%	0.273	49%	0.485	S	S	.	.	H	α-helix	trans	-71.2	-35.4	-173.4	61.9	0	0	0	0	113.5	S2 V3 H8 A9	S2-S5 PolarHBondContact O-N 3.19Å; S2-S5 PolarHBondContact O-OG 2.9Å; S2-S5 VanDerWaalsContact O-OG 3.08Å; V3-S5 VanDerWaalsContact C-N 3.34Å; V3-S5 PolarHBondContact O-N 2.86Å; S5-H8 PolarHBondContact O-N 3Å; S5-A9 PolarHBondContact O-N 3.1Å; S5-A9 VanDerWaalsContact O-N 3.15Å
6	K	39.3	Very low	44.2	Very low	108 Å²	108	85.8 Å²	85.8	47%	0.47	47%	0.466	S	S	.	.	H	α-helix	trans	-65.5	-41.2	175.9	-68.2	-173.3	177.6	-174.9	0	111.3	M1 V3 S4 A9 I10	M1-K6 HydrophobicContact CE-CD 4.37Å; M1-K6 HydrophobicContact CE-CG 4.08Å; M1-K6 WeakPolarHBondContact SD-CE 3.42Å; V3-K6 PolarHBondContact O-N 3.22Å; S4-K6 PolarHBondContact O-N 3.4Å; K6-A9 PolarHBondContact O-N 3.26Å; K6-I10 WeakPolarHBondContact O-CB 3.24Å; K6-I10 VanDerWaalsContact O-CG1 3.27Å; K6-I10 WeakPolarHBondContact O-CG1 3.36Å; K6-I10 PolarHBondContact O-N 2.96Å
7	I	45.9	Very low	44.6	Very low	99 Å²	99	88.4 Å²	88.4	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-43.4	179	-64.9	171.8	0	0	0	110.5	V3 S4 A9 I10 L11	V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 3.38Å; S4-I7 PolarHBondContact O-N 3.38Å; I7-A9 PolarHBondContact O-N 3.14Å; I7-I10 PolarHBondContact O-N 3.29Å; I7-L11 WeakPolarHBondContact O-CB 3.36Å; I7-L11 PolarHBondContact O-N 3.49Å
8	H	42.8	Very low	45	Very low	109 Å²	109	90.1 Å²	90.1	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-44.1	177.6	-73.5	87	0	0	0	111.9	S4 S5 L11 L12	S4-H8 PolarHBondContact O-N 2.83Å; S4-H8 VanDerWaalsContact O-N 3.15Å; S4-H8 PolarHBondContact O-ND1 3.17Å; S4-H8 PolarHBondContact OG-CE1 2.94Å; S4-H8 VanDerWaalsContact OG-CE1 3.3Å; S4-H8 PolarHBondContact OG-ND1 3.15Å; S5-H8 PolarHBondContact O-N 3Å; H8-L11 PolarHBondContact O-N 2.92Å; H8-L12 WeakPolarHBondContact O-CB 3.47Å; H8-L12 WeakPolarHBondContact O-CG 2.97Å; H8-L12 PolarHBondContact O-N 3.34Å
9	A	47.4	Very low	45.2	Very low	37 Å²	37	88 Å²	88	31%	0.306	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-46.6	177.4	0	0	0	0	0	111.9	S5 K6 I7 L12 I13	S5-A9 PolarHBondContact O-N 3.1Å; S5-A9 VanDerWaalsContact O-N 3.15Å; K6-A9 PolarHBondContact O-N 3.26Å; I7-A9 PolarHBondContact O-N 3.14Å; A9-L12 PolarHBondContact O-N 3.46Å; A9-I13 VanDerWaalsContact O-CG1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.33Å; A9-I13 PolarHBondContact O-N 3.21Å
10	I	47.2	Very low	45.3	Very low	96 Å²	96	88.1 Å²	88.1	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-44.7	177.9	-67	167.6	0	0	0	110.8	K6 I7 L12 I13 L14	K6-I10 WeakPolarHBondContact O-CB 3.24Å; K6-I10 VanDerWaalsContact O-CG1 3.27Å; K6-I10 WeakPolarHBondContact O-CG1 3.36Å; K6-I10 PolarHBondContact O-N 2.96Å; I7-I10 PolarHBondContact O-N 3.29Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.28Å; I10-I13 PolarHBondContact O-N 2.03Å; I10-I13 VanDerWaalsContact O-N 3.16Å; I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 WeakPolarHBondContact O-CB 3.15Å; I10-L14 WeakPolarHBondContact O-CG 3.04Å; I10-L14 PolarHBondContact O-N 2.98Å
11	L	47.5	Very low	45.7	Very low	91 Å²	91	88.6 Å²	88.6	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179	-175.1	67.1	0	0	0	111.2	I7 H8 I13 L14 L15	I7-L11 WeakPolarHBondContact O-CB 3.36Å; I7-L11 PolarHBondContact O-N 3.49Å; H8-L11 PolarHBondContact O-N 2.92Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L15 HydrophobicContact CD1-CD1 4.47Å; L11-L15 HydrophobicContact CD1-CG 4.47Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 3.48Å
12	L	49.9	Very low	46.1	Very low	72 Å²	72	84.4 Å²	84.4	38%	0.377	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-41.9	174.6	-76	176.6	0	0	0	111.8	H8 A9 I10 F16 F37	H8-L12 WeakPolarHBondContact O-CB 3.47Å; H8-L12 WeakPolarHBondContact O-CG 2.97Å; H8-L12 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 3.46Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.28Å; L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 3.45Å; L12-F37 HydrophobicContact CB-CZ 3.98Å; L12-F37 HydrophobicContact CD1-CE2 4.47Å; L12-F37 HydrophobicContact CD1-CZ 4.03Å; L12-F37 HydrophobicContact CD2-CE2 4.03Å; L12-F37 HydrophobicContact CD2-CZ 3.62Å; L12-F37 HydrophobicContact CG-CZ 4.06Å
13	I	50	Low	46.8	Very low	81 Å²	81	85.3 Å²	85.3	42%	0.415	45%	0.445	S	S	.	.	H	α-helix	trans	-65.3	-40.4	175.7	-67.8	164.4	0	0	0	111.3	A9 I10 L11 F16 K17	A9-I13 VanDerWaalsContact O-CG1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.33Å; A9-I13 PolarHBondContact O-N 3.21Å; I10-I13 PolarHBondContact O-N 2.03Å; I10-I13 VanDerWaalsContact O-N 3.16Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.48Å; I13-F16 WeakPolarHBondContact O-CB 3.4Å; I13-F16 PolarHBondContact O-N 3.38Å; I13-K17 WeakPolarHBondContact O-CB 3.29Å; I13-K17 PolarHBondContact O-N 3.47Å
14	L	47.3	Very low	47.2	Very low	102 Å²	102	85.6 Å²	85.6	53%	0.534	45%	0.452	S	S	.	.	H	α-helix	trans	-70.1	-46.8	180	-71.7	176	0	0	0	112.2	I10 L11 F16 K17 F18	I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 WeakPolarHBondContact O-CB 3.15Å; I10-L14 WeakPolarHBondContact O-CG 3.04Å; I10-L14 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 2.93Å; L14-F16 PolarHBondContact O-N 3.19Å; L14-K17 PolarHBondContact O-N 3.08Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 PolarHBondContact O-N 3.18Å
15	L	48.4	Very low	47.2	Very low	92 Å²	92	87 Å²	87	48%	0.482	46%	0.455	S	S	.	.	H	α-helix	trans	-58.3	-39.1	172.9	-73.8	171	0	0	0	110.5	L11 F18 V19	L11-L15 HydrophobicContact CD1-CD1 4.47Å; L11-L15 HydrophobicContact CD1-CG 4.47Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 3.48Å; L15-F18 WeakPolarHBondContact O-CB 3.4Å; L15-F18 PolarHBondContact O-N 3.03Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.09Å
16	F	49.1	Very low	47.3	Very low	42 Å²	42	88.2 Å²	88.2	18%	0.184	45%	0.454	C	S	.	.	H	α-helix	trans	-63.1	-50	174.6	-175	-90.1	0	0	0	112.3	L12 I13 L14 F18 V19 Y20 E34 F37 R38	L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 3.45Å; I13-F16 WeakPolarHBondContact O-CB 3.4Å; I13-F16 PolarHBondContact O-N 3.38Å; L14-F16 PolarHBondContact O-N 3.19Å; F16-F18 PolarHBondContact O-N 3.18Å; F16-V19 PolarHBondContact O-N 3.35Å; F16-Y20 HydrophobicContact CE1-CD2 4.37Å; F16-Y20 HydrophobicContact CE1-CG 4.33Å; F16-Y20 HydrophobicContact CZ-CD2 4.39Å; F16-Y20 VanDerWaalsContact O-CB 3.23Å; F16-Y20 WeakPolarHBondContact O-CB 3.44Å; F16-Y20 PolarHBondContact O-N 3.05Å; F16-E34 HydrophobicContact CE2-CG 3.93Å; F16-E34 HydrophobicContact CZ-CG 4.12Å; F16-F37 HydrophobicContact CD2-CD1 4.24Å; F16-R38 HydrophobicContact CE2-CG 4.45Å
17	K	50.6	Low	47.6	Very low	129 Å²	129	86.3 Å²	86.3	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-58.6	-38.5	176.5	-174.8	177.2	177.9	-178.1	0	111.1	I13 L14 N21	I13-K17 WeakPolarHBondContact O-CB 3.29Å; I13-K17 PolarHBondContact O-N 3.47Å; L14-K17 PolarHBondContact O-N 3.08Å; K17-N21 VanDerWaalsContact O-CB 3.25Å; K17-N21 WeakPolarHBondContact O-CB 3.18Å; K17-N21 PolarHBondContact O-N 3.33Å
18	F	53.1	Low	47.5	Very low	120 Å²	120	85.1 Å²	85.1	53%	0.526	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-53.9	175.1	-179.5	-96.5	0	0	0	111.4	L14 L15 F16 Y20 N21 N22 L25	L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 PolarHBondContact O-N 3.18Å; L15-F18 WeakPolarHBondContact O-CB 3.4Å; L15-F18 PolarHBondContact O-N 3.03Å; F16-F18 PolarHBondContact O-N 3.18Å; F18-Y20 VanDerWaalsContact C-N 3.32Å; F18-Y20 PolarHBondContact O-N 3.26Å; F18-N21 PolarHBondContact O-N 3.45Å; F18-N22 WeakPolarHBondContact CD2-ND2 3Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.16Å; F18-N22 WeakPolarHBondContact O-CB 3.5Å; F18-N22 PolarHBondContact O-N 3.47Å; F18-N22 PolarHBondContact O-ND2 3.5Å; F18-L25 HydrophobicContact CE1-CD1 4.21Å
19	V	48.3	Very low	47.3	Very low	50 Å²	50	81.1 Å²	81.1	30%	0.303	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-38.9	179.3	174.4	0	0	0	0	111.7	L15 F16 N22 T30	L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.09Å; F16-V19 PolarHBondContact O-N 3.35Å; V19-N22 PolarHBondContact O-N 2.87Å; V19-T30 HydrophobicContact CG1-CG2 3.66Å
20	Y	47.4	Very low	47	Very low	89 Å²	89	80.8 Å²	80.8	35%	0.349	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-40.2	177.4	177.4	-93.5	0	0	0	112.9	F16 F18 N22 K111	F16-Y20 HydrophobicContact CE1-CD2 4.37Å; F16-Y20 HydrophobicContact CE1-CG 4.33Å; F16-Y20 HydrophobicContact CZ-CD2 4.39Å; F16-Y20 VanDerWaalsContact O-CB 3.23Å; F16-Y20 WeakPolarHBondContact O-CB 3.44Å; F16-Y20 PolarHBondContact O-N 3.05Å; F18-Y20 VanDerWaalsContact C-N 3.32Å; F18-Y20 PolarHBondContact O-N 3.26Å; Y20-N22 VanDerWaalsContact C-N 3.32Å; Y20-K111 PolarHBondContact OH-NZ 2.96Å
21	N	52.2	Low	47	Very low	100 Å²	100	80.3 Å²	80.3	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-75.6	-22.2	177.8	-75.5	-7.8	0	0	0	112.6	K17 F18 T23	K17-N21 VanDerWaalsContact O-CB 3.25Å; K17-N21 WeakPolarHBondContact O-CB 3.18Å; K17-N21 PolarHBondContact O-N 3.33Å; F18-N21 PolarHBondContact O-N 3.45Å; N21-T23 PolarHBondContact O-N 3.21Å
22	N	47.3	Very low	46.8	Very low	55 Å²	55	81.4 Å²	81.4	29%	0.294	43%	0.429	S	S	.	.			trans	-96.1	79.5	178.9	-72.7	-78.5	0	0	0	110.8	F18 V19 Y20 S24 L25	F18-N22 WeakPolarHBondContact CD2-ND2 3Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.16Å; F18-N22 WeakPolarHBondContact O-CB 3.5Å; F18-N22 PolarHBondContact O-N 3.47Å; F18-N22 PolarHBondContact O-ND2 3.5Å; V19-N22 PolarHBondContact O-N 2.87Å; Y20-N22 VanDerWaalsContact C-N 3.32Å; N22-S24 PolarHBondContact O-N 3.47Å; N22-S24 VanDerWaalsContact O-N 3.08Å; N22-L25 HydrophobicContact CB-CD1 3.96Å; N22-L25 PolarHBondContact O-N 3.32Å
23	T	49.2	Very low	46.5	Very low	108 Å²	108	80.8 Å²	80.8	66%	0.663	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-56.7	-23.8	-179.6	-42.3	0	0	0	0	113.8	N21 Y26	N21-T23 PolarHBondContact O-N 3.21Å; T23-Y26 WeakPolarHBondContact O-CB 3.49Å; T23-Y26 PolarHBondContact O-N 2.96Å; T23-Y26 VanDerWaalsContact O-N 3.15Å
24	S	50.7	Low	46.2	Very low	114 Å²	114	77.5 Å²	77.5	80%	0.797	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-71.1	-27.8	176.6	54.6	0	0	0	0	113.5	N22 Y26	N22-S24 PolarHBondContact O-N 3.47Å; N22-S24 VanDerWaalsContact O-N 3.08Å; S24-Y26 PolarHBondContact O-N 2.95Å
25	L	41	Very low	46.1	Very low	95 Å²	95	75.6 Å²	75.6	50%	0.497	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-80.1	-3.9	171.3	-73.5	162.5	0	0	0	112.2	F18 N22 S27 T30	F18-L25 HydrophobicContact CE1-CD1 4.21Å; N22-L25 HydrophobicContact CB-CD1 3.96Å; N22-L25 PolarHBondContact O-N 3.32Å; L25-S27 PolarHBondContact O-N 2.94Å; L25-T30 PolarHBondContact O-OG1 3.49Å
26	Y	39	Very low	45.9	Very low	64 Å²	64	71.3 Å²	71.3	25%	0.251	38%	0.376	S	S	.	.			trans	-85.7	52.7	-173.2	-153.3	-111.9	0	0	0	112.1	T23 S24 K31 E34	T23-Y26 WeakPolarHBondContact O-CB 3.49Å; T23-Y26 PolarHBondContact O-N 2.96Å; T23-Y26 VanDerWaalsContact O-N 3.15Å; S24-Y26 PolarHBondContact O-N 2.95Å; Y26-K31 HydrophobicContact CD1-CD 4.37Å; Y26-K31 HydrophobicContact CD1-CG 3.92Å; Y26-K31 HydrophobicContact CE1-CD 3.93Å; Y26-K31 HydrophobicContact CE1-CG 3.41Å; Y26-K31 VanDerWaalsContact CE1-CG 3.41Å; Y26-K31 HydrophobicContact CE2-CG 4.29Å; Y26-E34 WeakPolarHBondContact CE2-OE2 2.83Å; Y26-E34 PolarHBondContact OH-OE2 2.82Å
27	S	45.2	Very low	45.7	Very low	67 Å²	67	72.6 Å²	72.6	47%	0.469	38%	0.382	S	S	.	.			trans	-64.3	164.2	171	79.5	0	0	0	0	111.3	L25 C29 T30 K31	L25-S27 PolarHBondContact O-N 2.94Å; S27-C29 PolarHBondContact O-N 3.01Å; S27-C29 VanDerWaalsContact O-N 3.1Å; S27-T30 PolarHBondContact N-OG1 2.94Å; S27-T30 WeakPolarHBondContact O-CB 3.44Å; S27-T30 PolarHBondContact O-N 3.44Å; S27-T30 PolarHBondContact O-OG1 3.46Å; S27-T30 PolarHBondContact OG-OG1 2.92Å; S27-T30 VanDerWaalsContact OG-OG1 3.06Å; S27-K31 PolarHBondContact O-N 3.43Å
28	A	43.5	Very low	45.6	Very low	74 Å²	74	67.9 Å²	67.9	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-55.3	-29.8	-179.2	0	0	0	0	0	113.9
29	C	38.6	Very low	45.1	Very low	26 Å²	26	64.5 Å²	64.5	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-76.1	-34.5	177.4	-149.7	0	0	0	0	110.9	S27 K31 R32 L33 C75 C78	S27-C29 PolarHBondContact O-N 3.01Å; S27-C29 VanDerWaalsContact O-N 3.1Å; C29-K31 PolarHBondContact O-N 3.19Å; C29-R32 PolarHBondContact O-N 2.82Å; C29-R32 VanDerWaalsContact O-N 3.17Å; C29-L33 WeakPolarHBondContact O-CB 3.46Å; C29-L33 PolarHBondContact O-N 2.76Å; C29-C75 WeakPolarHBondContact CB-SG 3.36Å; C29-C75 WeakPolarHBondContact SG-CB 3.45Å; C29-C75 CovalentContact SG-SG 2.08Å; C29-C75 PolarHBondContact SG-SG 2.72Å; C29-C78 PolarHBondContact SG-SG 3.42Å
30	T	42.1	Very low	44.9	Very low	30 Å²	30	63.3 Å²	63.3	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-37.1	174.9	-30.4	0	0	0	0	112.5	V19 L25 S27 R32 E34	V19-T30 HydrophobicContact CG1-CG2 3.66Å; L25-T30 PolarHBondContact O-OG1 3.49Å; S27-T30 PolarHBondContact N-OG1 2.94Å; S27-T30 WeakPolarHBondContact O-CB 3.44Å; S27-T30 PolarHBondContact O-N 3.44Å; S27-T30 PolarHBondContact O-OG1 3.46Å; S27-T30 PolarHBondContact OG-OG1 2.92Å; S27-T30 VanDerWaalsContact OG-OG1 3.06Å; T30-R32 VanDerWaalsContact C-N 3.35Å; T30-R32 PolarHBondContact O-N 3.41Å; T30-E34 WeakPolarHBondContact O-CB 3.47Å; T30-E34 PolarHBondContact O-N 3.4Å
31	K	46.5	Very low	44.6	Very low	85 Å²	85	61.6 Å²	61.6	37%	0.37	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-40.6	173	-76.6	175.7	-178.7	165.2	0	112.6	Y26 S27 C29 E34 I35	Y26-K31 HydrophobicContact CD1-CD 4.37Å; Y26-K31 HydrophobicContact CD1-CG 3.92Å; Y26-K31 HydrophobicContact CE1-CD 3.93Å; Y26-K31 HydrophobicContact CE1-CG 3.41Å; Y26-K31 VanDerWaalsContact CE1-CG 3.41Å; Y26-K31 HydrophobicContact CE2-CG 4.29Å; S27-K31 PolarHBondContact O-N 3.43Å; C29-K31 PolarHBondContact O-N 3.19Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-I35 WeakPolarHBondContact O-CG1 2.89Å; K31-I35 PolarHBondContact O-N 3.39Å; K31-I35 VanDerWaalsContact O-N 3.1Å
32	R	42.3	Very low	43.9	Very low	114 Å²	114	58.9 Å²	58.9	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-73.7	-47.1	179.6	-68.4	-177.7	-178.1	-172.5	1	110.2	C29 T30 E34 I35 L36	C29-R32 PolarHBondContact O-N 2.82Å; C29-R32 VanDerWaalsContact O-N 3.17Å; T30-R32 VanDerWaalsContact C-N 3.35Å; T30-R32 PolarHBondContact O-N 3.41Å; R32-E34 PolarHBondContact O-N 3.25Å; R32-I35 CarbonylContact O-C 3.59Å; R32-I35 WeakPolarHBondContact O-CA 2.95Å; R32-I35 WeakPolarHBondContact O-CB 3.08Å; R32-I35 PolarHBondContact O-N 2.98Å; R32-L36 VanDerWaalsContact O-CD1 3.26Å; R32-L36 WeakPolarHBondContact O-CD1 3.31Å; R32-L36 WeakPolarHBondContact O-CG 3.14Å; R32-L36 PolarHBondContact O-N 3.38Å
33	L	43.6	Very low	43.6	Very low	60 Å²	60	57.6 Å²	57.6	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-54.1	-38	171.1	-106.4	152.5	0	0	0	112.4	C29 L36 F37 C78 V80	C29-L33 WeakPolarHBondContact O-CB 3.46Å; C29-L33 PolarHBondContact O-N 2.76Å; L33-L36 PolarHBondContact O-N 3.46Å; L33-F37 VanDerWaalsContact O-CB 3.25Å; L33-F37 WeakPolarHBondContact O-CB 3.16Å; L33-F37 PolarHBondContact O-N 3.15Å; L33-C78 WeakPolarHBondContact CD1-SG 3.17Å; L33-V80 HydrophobicContact CD1-CG2 4.3Å; L33-V80 HydrophobicContact CD2-CB 4.48Å; L33-V80 HydrophobicContact CD2-CG1 4.42Å; L33-V80 HydrophobicContact CD2-CG2 3.27Å; L33-V80 HydrophobicContact CG-CG2 3.82Å
34	E	43.7	Very low	43.3	Very low	12 Å²	12	53.6 Å²	53.6	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-44.2	171.6	169.2	179.9	-158.7	0	0	111.5	F16 Y26 T30 K31 R32 L36 R38	F16-E34 HydrophobicContact CE2-CG 3.93Å; F16-E34 HydrophobicContact CZ-CG 4.12Å; Y26-E34 WeakPolarHBondContact CE2-OE2 2.83Å; Y26-E34 PolarHBondContact OH-OE2 2.82Å; T30-E34 WeakPolarHBondContact O-CB 3.47Å; T30-E34 PolarHBondContact O-N 3.4Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; R32-E34 PolarHBondContact O-N 3.25Å; E34-L36 VanDerWaalsContact C-N 3.28Å; E34-L36 PolarHBondContact O-N 3.16Å; E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CA 3.25Å; E34-R38 WeakPolarHBondContact O-CB 3.27Å; E34-R38 WeakPolarHBondContact O-CG 3.5Å; E34-R38 PolarHBondContact O-N 3.31Å; E34-R38 IonicContact OE1-CZ 2.81Å; E34-R38 IonicContact OE1-NE 3.26Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH1 3.25Å; E34-R38 PolarHBondContact OE1-NH1 2.99Å; E34-R38 IonicContact OE1-NH2 2.67Å; E34-R38 PolarHBondContact OE1-NH2 3.32Å
35	I	46.4	Very low	42.7	Very low	61 Å²	61	51.1 Å²	51.1	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-40.8	173.2	-67	163.2	0	0	0	110.6	K31 R32 H39 F108	K31-I35 WeakPolarHBondContact O-CG1 2.89Å; K31-I35 PolarHBondContact O-N 3.39Å; K31-I35 VanDerWaalsContact O-N 3.1Å; R32-I35 CarbonylContact O-C 3.59Å; R32-I35 WeakPolarHBondContact O-CA 2.95Å; R32-I35 WeakPolarHBondContact O-CB 3.08Å; R32-I35 PolarHBondContact O-N 2.98Å; I35-H39 WeakPolarHBondContact O-CA 3.49Å; I35-H39 WeakPolarHBondContact O-CB 3.39Å; I35-H39 PolarHBondContact O-N 3.4Å; I35-F108 HydrophobicContact CG1-CZ 3.99Å
36	L	44	Very low	42.6	Very low	3 Å²	3	47.2 Å²	47.2	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-70.2	-48.4	-177.4	-61.7	154.3	0	0	0	111.8	R32 L33 E34 H39 C40 L68 C72 F82	R32-L36 VanDerWaalsContact O-CD1 3.26Å; R32-L36 WeakPolarHBondContact O-CD1 3.31Å; R32-L36 WeakPolarHBondContact O-CG 3.14Å; R32-L36 PolarHBondContact O-N 3.38Å; L33-L36 PolarHBondContact O-N 3.46Å; E34-L36 VanDerWaalsContact C-N 3.28Å; E34-L36 PolarHBondContact O-N 3.16Å; L36-H39 PolarHBondContact O-N 3.36Å; L36-C40 WeakPolarHBondContact O-CB 3.25Å; L36-C40 PolarHBondContact O-N 3.44Å; L36-L68 HydrophobicContact CD2-CB 4.37Å; L36-L68 HydrophobicContact CD2-CD1 3.56Å; L36-L68 HydrophobicContact CD2-CD2 4.22Å; L36-L68 HydrophobicContact CD2-CG 3.35Å; L36-L68 VanDerWaalsContact CD2-O 3.28Å; L36-L68 WeakPolarHBondContact CD2-O 3.39Å; L36-L68 HydrophobicContact CG-CD1 4.44Å; L36-C72 HydrophobicContact CD1-CB 4.07Å; L36-C72 WeakPolarHBondContact CD1-SG 3.25Å; L36-C72 HydrophobicContact CD2-CB 3.94Å; L36-C72 VanDerWaalsContact CD2-SG 3.51Å; L36-F82 HydrophobicContact CD2-CZ 4.1Å
37	F	45.1	Very low	42.6	Very low	68 Å²	68	44.9 Å²	44.9	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-67.6	-38.4	176.5	-170.1	-107.9	0	0	0	111.2	L12 F16 L33 L41	L12-F37 HydrophobicContact CB-CZ 3.98Å; L12-F37 HydrophobicContact CD1-CE2 4.47Å; L12-F37 HydrophobicContact CD1-CZ 4.03Å; L12-F37 HydrophobicContact CD2-CE2 4.03Å; L12-F37 HydrophobicContact CD2-CZ 3.62Å; L12-F37 HydrophobicContact CG-CZ 4.06Å; F16-F37 HydrophobicContact CD2-CD1 4.24Å; L33-F37 VanDerWaalsContact O-CB 3.25Å; L33-F37 WeakPolarHBondContact O-CB 3.16Å; L33-F37 PolarHBondContact O-N 3.15Å; F37-L41 HydrophobicContact CD1-CD1 3.54Å; F37-L41 HydrophobicContact CD1-CG 4.38Å; F37-L41 HydrophobicContact CE1-CD1 3.18Å; F37-L41 HydrophobicContact CE1-CG 4.1Å; F37-L41 HydrophobicContact CG-CD1 4.37Å; F37-L41 HydrophobicContact CZ-CD1 3.74Å; F37-L41 HydrophobicContact CZ-CG 4.22Å; F37-L41 VanDerWaalsContact O-CB 3.27Å; F37-L41 WeakPolarHBondContact O-CB 3.07Å; F37-L41 WeakPolarHBondContact O-CG 3.01Å; F37-L41 PolarHBondContact O-N 3.27Å
38	R	47.9	Very low	42.4	Very low	31 Å²	31	45 Å²	45	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-41.3	172.5	-74	178.1	173.6	-167.8	2.3	111.3	F16 E34 L41 L42 F108	F16-R38 HydrophobicContact CE2-CG 4.45Å; E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CA 3.25Å; E34-R38 WeakPolarHBondContact O-CB 3.27Å; E34-R38 WeakPolarHBondContact O-CG 3.5Å; E34-R38 PolarHBondContact O-N 3.31Å; E34-R38 IonicContact OE1-CZ 2.81Å; E34-R38 IonicContact OE1-NE 3.26Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH1 3.25Å; E34-R38 PolarHBondContact OE1-NH1 2.99Å; E34-R38 IonicContact OE1-NH2 2.67Å; E34-R38 PolarHBondContact OE1-NH2 3.32Å; R38-L41 CarbonylContact O-C 3.57Å; R38-L41 PolarHBondContact O-N 3.46Å; R38-L42 HydrophobicContact CB-CD1 3.8Å; R38-L42 WeakPolarHBondContact O-CA 2.95Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 WeakPolarHBondContact O-CG 3.06Å; R38-L42 PolarHBondContact O-N 3.18Å; R38-F108 VanDerWaalsContact NH1-CG 3.34Å
39	H	43.6	Very low	42.2	Very low	49 Å²	49	48.7 Å²	48.7	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-72.4	-30.7	177.8	-163.3	-75.9	0	0	0	111.4	I35 L36 L42 S43 Y62 L68	I35-H39 WeakPolarHBondContact O-CA 3.49Å; I35-H39 WeakPolarHBondContact O-CB 3.39Å; I35-H39 PolarHBondContact O-N 3.4Å; L36-H39 PolarHBondContact O-N 3.36Å; H39-L42 PolarHBondContact O-N 2.94Å; H39-S43 PolarHBondContact CE1-OG 2.85Å; H39-S43 PolarHBondContact ND1-OG 3.42Å; H39-S43 WeakPolarHBondContact O-CA 3.46Å; H39-S43 WeakPolarHBondContact O-CB 3.4Å; H39-S43 PolarHBondContact O-N 3.08Å; H39-S43 PolarHBondContact O-OG 2.95Å; H39-Y62 AromaticContact CE1-CE1 3.52Å; H39-Y62 AromaticContact NE2-CE1 3.88Å; H39-L68 HydrophobicContact CB-CD1 3.73Å; H39-L68 HydrophobicContact CB-CD2 4.12Å
40	C	42.8	Very low	42.1	Very low	24 Å²	24	48.6 Å²	48.6	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-43.3	168.5	-85.4	0	0	0	0	111.8	L36 L42 S44	L36-C40 WeakPolarHBondContact O-CB 3.25Å; L36-C40 PolarHBondContact O-N 3.44Å; C40-L42 VanDerWaalsContact C-N 3.35Å; C40-S44 WeakPolarHBondContact O-CA 3.09Å; C40-S44 WeakPolarHBondContact O-CB 3.46Å; C40-S44 PolarHBondContact O-N 2.84Å; C40-S44 PolarHBondContact O-OG 2.97Å
41	L	41.3	Very low	42.2	Very low	53 Å²	53	52.1 Å²	52.1	28%	0.277	25%	0.25	S	C	.	.	H	α-helix	trans	-66.7	-34	172	-77.5	169.5	0	0	0	111.7	F37 R38 L45	F37-L41 HydrophobicContact CD1-CD1 3.54Å; F37-L41 HydrophobicContact CD1-CG 4.38Å; F37-L41 HydrophobicContact CE1-CD1 3.18Å; F37-L41 HydrophobicContact CE1-CG 4.1Å; F37-L41 HydrophobicContact CG-CD1 4.37Å; F37-L41 HydrophobicContact CZ-CD1 3.74Å; F37-L41 HydrophobicContact CZ-CG 4.22Å; F37-L41 VanDerWaalsContact O-CB 3.27Å; F37-L41 WeakPolarHBondContact O-CB 3.07Å; F37-L41 WeakPolarHBondContact O-CG 3.01Å; F37-L41 PolarHBondContact O-N 3.27Å; R38-L41 CarbonylContact O-C 3.57Å; R38-L41 PolarHBondContact O-N 3.46Å; L41-L45 HydrophobicContact CB-CD1 4.01Å; L41-L45 HydrophobicContact CB-CG 4.45Å; L41-L45 HydrophobicContact CD2-CD1 3.32Å; L41-L45 HydrophobicContact CD2-CG 3.95Å; L41-L45 HydrophobicContact CG-CD1 4.24Å; L41-L45 VanDerWaalsContact O-CA 3.25Å; L41-L45 WeakPolarHBondContact O-CA 2.99Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 WeakPolarHBondContact O-CG 3.27Å; L41-L45 PolarHBondContact O-N 3.07Å
42	L	39.1	Very low	42	Very low	44 Å²	44	51.1 Å²	51.1	23%	0.23	26%	0.264	C	S	.	.	I	π-helix	trans	-78.6	-56.5	179	-86.5	121.7	0	0	0	110	R38 H39 C40 S44 I46 S47 S105	R38-L42 HydrophobicContact CB-CD1 3.8Å; R38-L42 WeakPolarHBondContact O-CA 2.95Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 WeakPolarHBondContact O-CG 3.06Å; R38-L42 PolarHBondContact O-N 3.18Å; H39-L42 PolarHBondContact O-N 2.94Å; C40-L42 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 2.64Å; L42-I46 HydrophobicContact CB-CD1 4.12Å; L42-I46 HydrophobicContact CD2-CD1 3.27Å; L42-I46 HydrophobicContact CG-CD1 3.55Å; L42-I46 VanDerWaalsContact O-CA 3.31Å; L42-I46 WeakPolarHBondContact O-CA 3.25Å; L42-I46 WeakPolarHBondContact O-CB 3.48Å; L42-I46 PolarHBondContact O-N 3.28Å; L42-S47 PolarHBondContact O-N 2.62Å; L42-S105 WeakPolarHBondContact CD2-OG 3.46Å
43	S	40.5	Very low	41.9	Very low	27 Å²	27	49.7 Å²	49.7	19%	0.189	26%	0.264	C	S	.	.	I	π-helix	trans	-69.2	-15.8	177.2	-64.4	0	0	0	0	114.6	H39 S47	H39-S43 PolarHBondContact CE1-OG 2.85Å; H39-S43 PolarHBondContact ND1-OG 3.42Å; H39-S43 WeakPolarHBondContact O-CA 3.46Å; H39-S43 WeakPolarHBondContact O-CB 3.4Å; H39-S43 PolarHBondContact O-N 3.08Å; H39-S43 PolarHBondContact O-OG 2.95Å; S43-S47 WeakPolarHBondContact O-CB 3.44Å; S43-S47 PolarHBondContact O-OG 3.49Å
44	S	42.3	Very low	41.6	Very low	24 Å²	24	53.2 Å²	53.2	17%	0.168	28%	0.284	C	S	.	.	I	π-helix	trans	-92.6	-64.2	165.4	-47.2	0	0	0	0	109.9	C40 L42 I46 L90	C40-S44 WeakPolarHBondContact O-CA 3.09Å; C40-S44 WeakPolarHBondContact O-CB 3.46Å; C40-S44 PolarHBondContact O-N 2.84Å; C40-S44 PolarHBondContact O-OG 2.97Å; L42-S44 PolarHBondContact O-N 2.64Å; S44-I46 PolarHBondContact O-N 2.75Å; S44-L90 WeakPolarHBondContact O-CD1 3.42Å; S44-L90 WeakPolarHBondContact O-CD2 3.38Å
45	L	38.5	Very low	41.4	Very low	63 Å²	63	59.4 Å²	59.4	33%	0.33	31%	0.312	S	S	.	.	I	π-helix	trans	-68.5	-33.9	-171.2	-51.4	172.9	0	0	0	114.4	L41 C50 L90 I93	L41-L45 HydrophobicContact CB-CD1 4.01Å; L41-L45 HydrophobicContact CB-CG 4.45Å; L41-L45 HydrophobicContact CD2-CD1 3.32Å; L41-L45 HydrophobicContact CD2-CG 3.95Å; L41-L45 HydrophobicContact CG-CD1 4.24Å; L41-L45 VanDerWaalsContact O-CA 3.25Å; L41-L45 WeakPolarHBondContact O-CA 2.99Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 WeakPolarHBondContact O-CG 3.27Å; L41-L45 PolarHBondContact O-N 3.07Å; L45-C50 PolarHBondContact O-SG 2.67Å; L45-L90 HydrophobicContact CD2-CD2 4.46Å; L45-I93 HydrophobicContact CB-CD1 3.85Å; L45-I93 HydrophobicContact CD2-CD1 3.3Å; L45-I93 HydrophobicContact CD2-CG1 4.12Å; L45-I93 HydrophobicContact CG-CD1 4.18Å
46	I	39.2	Very low	40.8	Very low	13 Å²	13	60 Å²	60	7%	0.067	33%	0.334	C	S	.	.	I	π-helix	trans	-90.3	-20.8	-175.4	-70.8	168.3	0	0	0	112.2	L42 S44 K48 C50 L51 A101	L42-I46 HydrophobicContact CB-CD1 4.12Å; L42-I46 HydrophobicContact CD2-CD1 3.27Å; L42-I46 HydrophobicContact CG-CD1 3.55Å; L42-I46 VanDerWaalsContact O-CA 3.31Å; L42-I46 WeakPolarHBondContact O-CA 3.25Å; L42-I46 WeakPolarHBondContact O-CB 3.48Å; L42-I46 PolarHBondContact O-N 3.28Å; S44-I46 PolarHBondContact O-N 2.75Å; I46-K48 PolarHBondContact O-N 3.25Å; I46-C50 HydrophobicContact CB-CB 4.25Å; I46-C50 HydrophobicContact CG1-CB 4.23Å; I46-C50 HydrophobicContact CG2-CB 4.19Å; I46-C50 PolarHBondContact O-N 2.84Å; I46-L51 HydrophobicContact CG2-CD1 3.92Å; I46-L51 HydrophobicContact CG2-CD2 3.56Å; I46-L51 HydrophobicContact CG2-CG 3.44Å; I46-L51 VanDerWaalsContact CG2-CG 3.44Å; I46-L51 WeakPolarHBondContact O-CG 3.4Å; I46-L51 PolarHBondContact O-N 2.67Å; I46-A101 HydrophobicContact CD1-CB 3.69Å; I46-A101 HydrophobicContact CG1-CB 3.68Å
47	S	37.9	Very low	40.3	Very low	15 Å²	15	65.4 Å²	65.4	11%	0.105	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.6	-157.1	156.1	0	0	0	0	117.3	L42 S43 I58	L42-S47 PolarHBondContact O-N 2.62Å; S43-S47 WeakPolarHBondContact O-CB 3.44Å; S43-S47 PolarHBondContact O-OG 3.49Å; S47-I58 WeakPolarHBondContact O-CD1 3.5Å; S47-I58 WeakPolarHBondContact OG-CD1 3.33Å
48	K	42.5	Very low	39.9	Very low	70 Å²	70	64.7 Å²	64.7	30%	0.304	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-60.9	179.4	-62.5	-174.4	178	-159.8	0	112.5	I46 L53 E55 I58	I46-K48 PolarHBondContact O-N 3.25Å; K48-L53 PolarHBondContact O-N 3.13Å; K48-L53 VanDerWaalsContact O-N 3.14Å; K48-L53 VanDerWaalsContact O-O 3.09Å; K48-E55 HydrophobicContact CD-CB 4.44Å; K48-E55 PolarHBondContact NZ-O 3.2Å; K48-I58 HydrophobicContact CG-CD1 4.39Å
49	R	38.9	Very low	39.3	Very low	151 Å²	151	66.6 Å²	66.6	57%	0.57	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-46.8	-173.2	-159.9	178.1	-159.9	167.9	11.8	113.9	L51 G52 I93	R49-L51 VanDerWaalsContact C-N 3.3Å; R49-L51 PolarHBondContact O-N 3.26Å; R49-G52 PolarHBondContact O-N 3.15Å; R49-I93 PolarHBondContact NH1-O 3.35Å; R49-I93 VanDerWaalsContact NH1-O 3.1Å
50	C	36.5	Very low	39.1	Very low	23 Å²	23	70.8 Å²	70.8	16%	0.155	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21	-173.3	-40.6	0	0	0	0	113.3	L45 I46 C98	L45-C50 PolarHBondContact O-SG 2.67Å; I46-C50 HydrophobicContact CB-CB 4.25Å; I46-C50 HydrophobicContact CG1-CB 4.23Å; I46-C50 HydrophobicContact CG2-CB 4.19Å; I46-C50 PolarHBondContact O-N 2.84Å; C50-C98 VanDerWaalsContact CA-SG 3.6Å; C50-C98 HydrophobicContact CB-CB 3.65Å; C50-C98 WeakPolarHBondContact CB-SG 3.18Å; C50-C98 WeakPolarHBondContact SG-CA 3.34Å; C50-C98 WeakPolarHBondContact SG-CB 3.33Å; C50-C98 CovalentContact SG-SG 2.03Å; C50-C98 PolarHBondContact SG-SG 2.77Å
51	L	43.5	Very low	38.7	Very low	104 Å²	104	73.8 Å²	73.8	55%	0.545	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.1	173.3	-66.2	173	0	0	0	113.5	I46 R49 L53	I46-L51 HydrophobicContact CG2-CD1 3.92Å; I46-L51 HydrophobicContact CG2-CD2 3.56Å; I46-L51 HydrophobicContact CG2-CG 3.44Å; I46-L51 VanDerWaalsContact CG2-CG 3.44Å; I46-L51 WeakPolarHBondContact O-CG 3.4Å; I46-L51 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact C-N 3.3Å; R49-L51 PolarHBondContact O-N 3.26Å; L51-L53 HydrophobicContact CB-CB 4.46Å; L51-L53 HydrophobicContact CB-CD1 3.8Å; L51-L53 HydrophobicContact CB-CG 3.71Å; L51-L53 HydrophobicContact CD1-CD1 3.71Å; L51-L53 HydrophobicContact CG-CD1 4.39Å; L51-L53 PolarHBondContact O-N 2.82Å
52	G	43.2	Very low	38.7	Very low	65 Å²	65	76.4 Å²	76.4	67%	0.67	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	25	-172.3	0	0	0	0	0	113	R49	R49-G52 PolarHBondContact O-N 3.15Å
53	L	39.6	Very low	38.8	Very low	84 Å²	84	78.4 Å²	78.4	44%	0.44	46%	0.464	S	S	.	.			trans	-87.8	125.8	177.5	-64.4	174.3	0	0	0	108.4	K48 L51 E55	K48-L53 PolarHBondContact O-N 3.13Å; K48-L53 VanDerWaalsContact O-N 3.14Å; K48-L53 VanDerWaalsContact O-O 3.09Å; L51-L53 HydrophobicContact CB-CB 4.46Å; L51-L53 HydrophobicContact CB-CD1 3.8Å; L51-L53 HydrophobicContact CB-CG 3.71Å; L51-L53 HydrophobicContact CD1-CD1 3.71Å; L51-L53 HydrophobicContact CG-CD1 4.39Å; L51-L53 PolarHBondContact O-N 2.82Å; L53-E55 PolarHBondContact O-N 2.94Å
54	N	37.9	Very low	38.8	Very low	134 Å²	134	77.7 Å²	77.7	72%	0.717	46%	0.461	S	S	*	.			trans	-52.1	134.8	175.1	-73.7	-26	0	0	0	110	G56 V57	N54-G56 PolarHBondContact O-N 2.88Å; N54-V57 PolarHBondContact O-N 3.43Å; N54-V57 VanDerWaalsContact O-N 3.09Å
55	E	39.6	Very low	39	Very low	141 Å²	141	80 Å²	80	66%	0.659	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-18	-169.8	-66.9	179.2	150.4	0	0	115.2	K48 L53	K48-E55 HydrophobicContact CD-CB 4.44Å; K48-E55 PolarHBondContact NZ-O 3.2Å; L53-E55 PolarHBondContact O-N 2.94Å
56	G	33	Very low	39.5	Very low	75 Å²	75	81.8 Å²	81.8	77%	0.773	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.9	-179	0	0	0	0	0	117.2	N54	N54-G56 PolarHBondContact O-N 2.88Å
57	V	34.1	Very low	39.8	Very low	115 Å²	115	87.4 Å²	87.4	70%	0.697	50%	0.503	S	S	*	.			trans	-109.5	36	-172	-158.1	0	0	0	0	113.8	N54	N54-V57 PolarHBondContact O-N 3.43Å; N54-V57 VanDerWaalsContact O-N 3.09Å
58	I	35.4	Very low	40.1	Very low	54 Å²	54	87.3 Å²	87.3	28%	0.277	50%	0.502	S	S	.	.			trans	-126.2	101.9	163.7	-60.9	-178.8	0	0	0	107.7	S47 K48	S47-I58 WeakPolarHBondContact O-CD1 3.5Å; S47-I58 WeakPolarHBondContact OG-CD1 3.33Å; K48-I58 HydrophobicContact CG-CD1 4.39Å
59	S	36.5	Very low	40.4	Very low	71 Å²	71	87.5 Å²	87.5	50%	0.497	50%	0.502	S	S	.	.			trans	-61.8	150.1	168.2	61.5	0	0	0	0	109	S61 Y62	S59-S61 PolarHBondContact O-N 3.48Å; S59-S61 PolarHBondContact OG-OG 2.96Å; S59-Y62 PolarHBondContact O-N 3.16Å
60	S	38.1	Very low	40.9	Very low	137 Å²	137	87.5 Å²	87.5	96%	0.958	51%	0.507	S	S	*	.	S	Bend	trans	-53.5	-7.4	167.1	47.1	0	0	0	0	113.8
61	S	34.9	Very low	41.3	Very low	86 Å²	86	90 Å²	90	60%	0.601	52%	0.518	S	S	*	.			trans	-96.3	37.1	179.7	73.9	0	0	0	0	113.4	S59 S63	S59-S61 PolarHBondContact O-N 3.48Å; S59-S61 PolarHBondContact OG-OG 2.96Å; S61-S63 VanDerWaalsContact C-N 3.27Å; S61-S63 PolarHBondContact O-N 2.99Å
62	Y	41.1	Very low	41.2	Very low	109 Å²	109	85.1 Å²	85.1	43%	0.427	49%	0.492	S	S	.	.			trans	-62.2	96.8	168.3	-164.9	-86.8	0	0	0	108	H39 S59 G64 I65	H39-Y62 AromaticContact CE1-CE1 3.52Å; H39-Y62 AromaticContact NE2-CE1 3.88Å; S59-Y62 PolarHBondContact O-N 3.16Å; Y62-G64 PolarHBondContact O-N 3.44Å; Y62-I65 HydrophobicContact CD1-CG1 4.21Å; Y62-I65 PolarHBondContact O-N 2.94Å
63	S	41.5	Very low	41.3	Very low	86 Å²	86	88.1 Å²	88.1	60%	0.601	49%	0.493	S	S	*	.	H	α-helix	trans	-51.5	-30.6	-176.4	50.4	0	0	0	0	112.2	S61 I65 E66 E67	S61-S63 VanDerWaalsContact C-N 3.27Å; S61-S63 PolarHBondContact O-N 2.99Å; S63-I65 VanDerWaalsContact C-N 3.27Å; S63-I65 PolarHBondContact O-N 2.85Å; S63-E66 PolarHBondContact O-N 3.26Å; S63-E67 PolarHBondContact O-N 2.84Å
64	G	41.7	Very low	41.5	Very low	12 Å²	12	87.6 Å²	87.6	12%	0.124	50%	0.496	C	S	.	.	H	α-helix	trans	-60.2	-28.7	176.5	0	0	0	0	0	114.2	Y62 L68	Y62-G64 PolarHBondContact O-N 3.44Å; G64-L68 WeakPolarHBondContact O-CB 3.37Å; G64-L68 PolarHBondContact O-N 3.39Å
65	I	44.9	Very low	41.5	Very low	73 Å²	73	82.2 Å²	82.2	37%	0.374	47%	0.469	S	S	.	.	H	α-helix	trans	-70.7	-40.8	179.7	-66.6	174.9	0	0	0	111.4	Y62 S63 L68 K69	Y62-I65 HydrophobicContact CD1-CG1 4.21Å; Y62-I65 PolarHBondContact O-N 2.94Å; S63-I65 VanDerWaalsContact C-N 3.27Å; S63-I65 PolarHBondContact O-N 2.85Å; I65-L68 WeakPolarHBondContact O-CB 3.05Å; I65-L68 PolarHBondContact O-N 3.45Å; I65-K69 WeakPolarHBondContact O-CG 3.2Å; I65-K69 PolarHBondContact O-N 3.23Å
66	E	49.5	Very low	41.6	Very low	99 Å²	99	87.4 Å²	87.4	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-71.1	-39.2	178.3	-73.8	-58.3	131	0	0	111.6	S63 L68 K69 K70	S63-E66 PolarHBondContact O-N 3.26Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 3.15Å; E66-K69 PolarHBondContact O-N 3.25Å; E66-K69 WeakPolarHBondContact OE1-CD 3.49Å; E66-K69 WeakPolarHBondContact OE1-CE 3.08Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 3.43Å; E66-K70 WeakPolarHBondContact O-CG 3.38Å; E66-K70 PolarHBondContact O-N 2.82Å
67	E	45.3	Very low	41.9	Very low	131 Å²	131	87.6 Å²	87.6	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-61.3	-39.4	170.1	-71.1	-178.1	170	0	0	111.8	S63 K70 L71	S63-E67 PolarHBondContact O-N 2.84Å; E67-K70 PolarHBondContact O-N 3.49Å; E67-L71 WeakPolarHBondContact O-CB 3.23Å; E67-L71 PolarHBondContact O-N 2.72Å
68	L	45	Very low	41.9	Very low	13 Å²	13	83 Å²	83	7%	0.068	46%	0.457	C	S	.	.	H	α-helix	trans	-63.1	-45.9	175.8	-162.3	80.8	0	0	0	111.6	L36 H39 G64 I65 E66 K70 L71 C72 F82	L36-L68 HydrophobicContact CD2-CB 4.37Å; L36-L68 HydrophobicContact CD2-CD1 3.56Å; L36-L68 HydrophobicContact CD2-CD2 4.22Å; L36-L68 HydrophobicContact CD2-CG 3.35Å; L36-L68 VanDerWaalsContact CD2-O 3.28Å; L36-L68 WeakPolarHBondContact CD2-O 3.39Å; L36-L68 HydrophobicContact CG-CD1 4.44Å; H39-L68 HydrophobicContact CB-CD1 3.73Å; H39-L68 HydrophobicContact CB-CD2 4.12Å; G64-L68 WeakPolarHBondContact O-CB 3.37Å; G64-L68 PolarHBondContact O-N 3.39Å; I65-L68 WeakPolarHBondContact O-CB 3.05Å; I65-L68 PolarHBondContact O-N 3.45Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 3.15Å; L68-K70 PolarHBondContact O-N 3.3Å; L68-L71 WeakPolarHBondContact O-CB 3.18Å; L68-L71 PolarHBondContact O-N 3.08Å; L68-C72 WeakPolarHBondContact O-CB 3.34Å; L68-C72 PolarHBondContact O-N 3.01Å; L68-F82 HydrophobicContact CD2-CE1 3.84Å; L68-F82 HydrophobicContact CD2-CZ 4.42Å; L68-F82 HydrophobicContact CG-CE1 4.34Å; L68-F82 HydrophobicContact CG-CZ 4.44Å
69	K	47.9	Very low	41.9	Very low	74 Å²	74	89.6 Å²	89.6	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-58.5	-46.8	174.4	-77.3	177.4	-174.3	169.7	0	111.5	I65 E66 L71 C72 N73 F82	I65-K69 WeakPolarHBondContact O-CG 3.2Å; I65-K69 PolarHBondContact O-N 3.23Å; E66-K69 PolarHBondContact O-N 3.25Å; E66-K69 WeakPolarHBondContact OE1-CD 3.49Å; E66-K69 WeakPolarHBondContact OE1-CE 3.08Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 3.43Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 2.86Å; K69-C72 VanDerWaalsContact O-CB 3.29Å; K69-C72 WeakPolarHBondContact O-CB 3.41Å; K69-C72 PolarHBondContact O-N 2.89Å; K69-N73 WeakPolarHBondContact O-CB 3.1Å; K69-N73 VanDerWaalsContact O-CG 3.29Å; K69-N73 PolarHBondContact O-N 3.33Å; K69-F82 HydrophobicContact CB-CE2 4.39Å; K69-F82 HydrophobicContact CG-CD2 4.16Å; K69-F82 HydrophobicContact CG-CE2 4.01Å; K69-F82 HydrophobicContact CG-CZ 4.27Å
70	K	50	Low	41.9	Very low	152 Å²	152	88.4 Å²	88.4	66%	0.661	48%	0.476	S	S	*	.	H	α-helix	trans	-59	-45.8	175.6	-72.4	175.6	-178.2	177.9	0	111.3	E66 E67 L68 C72 N73 S74	E66-K70 WeakPolarHBondContact O-CG 3.38Å; E66-K70 PolarHBondContact O-N 2.82Å; E67-K70 PolarHBondContact O-N 3.49Å; L68-K70 PolarHBondContact O-N 3.3Å; K70-C72 VanDerWaalsContact C-N 3.32Å; K70-C72 PolarHBondContact O-N 2.55Å; K70-N73 PolarHBondContact O-N 2.77Å; K70-S74 PolarHBondContact O-N 3.44Å; K70-S74 VanDerWaalsContact O-N 3.09Å
71	L	44	Very low	41.7	Very low	74 Å²	74	86 Å²	86	39%	0.387	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-41.3	178.2	-156.6	99.8	0	0	0	111.6	E67 L68 K69 S74	E67-L71 WeakPolarHBondContact O-CB 3.23Å; E67-L71 PolarHBondContact O-N 2.72Å; L68-L71 WeakPolarHBondContact O-CB 3.18Å; L68-L71 PolarHBondContact O-N 3.08Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 2.86Å; L71-S74 PolarHBondContact O-N 2.92Å; L71-S74 PolarHBondContact O-OG 2.81Å
72	C	41.3	Very low	41.7	Very low	2 Å²	2	84.5 Å²	84.5	1%	0.014	44%	0.443	C	S	.	.	H	α-helix	trans	-60.1	-54.9	174.9	-124.1	0	0	0	0	112.6	L36 L68 K69 K70 S74 C75 F82	L36-C72 HydrophobicContact CD1-CB 4.07Å; L36-C72 WeakPolarHBondContact CD1-SG 3.25Å; L36-C72 HydrophobicContact CD2-CB 3.94Å; L36-C72 VanDerWaalsContact CD2-SG 3.51Å; L68-C72 WeakPolarHBondContact O-CB 3.34Å; L68-C72 PolarHBondContact O-N 3.01Å; K69-C72 VanDerWaalsContact O-CB 3.29Å; K69-C72 WeakPolarHBondContact O-CB 3.41Å; K69-C72 PolarHBondContact O-N 2.89Å; K70-C72 VanDerWaalsContact C-N 3.32Å; K70-C72 PolarHBondContact O-N 2.55Å; C72-S74 PolarHBondContact O-N 3.1Å; C72-S74 VanDerWaalsContact O-N 3.14Å; C72-C75 PolarHBondContact O-N 2.95Å; C72-F82 HydrophobicContact CB-CE2 3.34Å; C72-F82 HydrophobicContact CB-CZ 3.52Å; C72-F82 WeakPolarHBondContact SG-CE2 3.43Å; C72-F82 WeakPolarHBondContact SG-CZ 3.33Å
73	N	45.9	Very low	41.2	Very low	129 Å²	129	87.7 Å²	87.7	69%	0.69	46%	0.464	S	S	*	.	H	α-helix	trans	-64.4	-19.4	-177.3	-69.5	-11.3	0	0	0	112.1	K69 K70 C75	K69-N73 WeakPolarHBondContact O-CB 3.1Å; K69-N73 VanDerWaalsContact O-CG 3.29Å; K69-N73 PolarHBondContact O-N 3.33Å; K70-N73 PolarHBondContact O-N 2.77Å; N73-C75 VanDerWaalsContact C-N 3.35Å
74	S	43.8	Very low	40.7	Very low	72 Å²	72	88.9 Å²	88.9	50%	0.503	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.8	173.9	80.1	0	0	0	0	114.6	K70 L71 C72	K70-S74 PolarHBondContact O-N 3.44Å; K70-S74 VanDerWaalsContact O-N 3.09Å; L71-S74 PolarHBondContact O-N 2.92Å; L71-S74 PolarHBondContact O-OG 2.81Å; C72-S74 PolarHBondContact O-N 3.1Å; C72-S74 VanDerWaalsContact O-N 3.14Å
75	C	39.4	Very low	40.3	Very low	22 Å²	22	91.6 Å²	91.6	15%	0.149	49%	0.488	C	S	.	.	S	Bend	trans	-87.2	119	173.8	-146.6	0	0	0	0	110.4	C29 C72 N73 G77 C78	C29-C75 WeakPolarHBondContact CB-SG 3.36Å; C29-C75 WeakPolarHBondContact SG-CB 3.45Å; C29-C75 CovalentContact SG-SG 2.08Å; C29-C75 PolarHBondContact SG-SG 2.72Å; C72-C75 PolarHBondContact O-N 2.95Å; N73-C75 VanDerWaalsContact C-N 3.35Å; C75-G77 PolarHBondContact O-N 3.43Å; C75-C78 HydrophobicContact CB-CB 3.73Å; C75-C78 WeakPolarHBondContact CB-SG 3.21Å; C75-C78 PolarHBondContact O-N 3.33Å
76	R	40.5	Very low	39.7	Very low	250 Å²	250	90.7 Å²	90.7	94%	0.943	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	121.4	164.4	-75.4	-172.3	178.7	-174.8	0.1	108.8
77	G	38.5	Very low	39.1	Very low	78 Å²	78	90 Å²	90	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-1	-178.2	0	0	0	0	0	115.4	C75 E79	C75-G77 PolarHBondContact O-N 3.43Å; G77-E79 PolarHBondContact O-N 3.29Å
78	C	35.6	Very low	38.5	Very low	18 Å²	18	90.5 Å²	90.5	12%	0.122	50%	0.497	C	S	.	.			trans	-85.3	81.6	166.4	-87	0	0	0	0	110.2	C29 L33 C75 V80	C29-C78 PolarHBondContact SG-SG 3.42Å; L33-C78 WeakPolarHBondContact CD1-SG 3.17Å; C75-C78 HydrophobicContact CB-CB 3.73Å; C75-C78 WeakPolarHBondContact CB-SG 3.21Å; C75-C78 PolarHBondContact O-N 3.33Å; C78-V80 HydrophobicContact CB-CG2 3.96Å; C78-V80 PolarHBondContact O-N 2.8Å
79	E	34.4	Very low	38.2	Very low	194 Å²	194	96.3 Å²	96.3	91%	0.907	52%	0.522	S	S	*	.			trans	-77.3	61.6	160.5	-69.7	-171.7	163.6	0	0	109.6	G77 S81	G77-E79 PolarHBondContact O-N 3.29Å; E79-S81 PolarHBondContact O-N 2.9Å
80	V	37.8	Very low	37.8	Very low	45 Å²	45	94 Å²	94	27%	0.273	51%	0.513	S	S	.	.			trans	-88.6	92.9	175.6	-170.1	0	0	0	0	107.7	L33 C78 F82	L33-V80 HydrophobicContact CD1-CG2 4.3Å; L33-V80 HydrophobicContact CD2-CB 4.48Å; L33-V80 HydrophobicContact CD2-CG1 4.42Å; L33-V80 HydrophobicContact CD2-CG2 3.27Å; L33-V80 HydrophobicContact CG-CG2 3.82Å; C78-V80 HydrophobicContact CB-CG2 3.96Å; C78-V80 PolarHBondContact O-N 2.8Å; V80-F82 PolarHBondContact O-N 2.86Å
81	S	33.3	Very low	37.4	Very low	88 Å²	88	92.9 Å²	92.9	62%	0.615	51%	0.514	S	S	*	.			trans	-65.7	106.3	166.7	-174.8	0	0	0	0	108.8	E79 M83	E79-S81 PolarHBondContact O-N 2.9Å; S81-M83 PolarHBondContact O-N 2.78Å; S81-M83 WeakPolarHBondContact OG-CB 3.43Å
82	F	34.8	Very low	37.4	Very low	54 Å²	54	91.7 Å²	91.7	24%	0.237	51%	0.512	C	S	.	.			trans	-66.7	7.3	173.3	-76.4	-86.8	0	0	0	113.6	L36 L68 K69 C72 V80 S84	L36-F82 HydrophobicContact CD2-CZ 4.1Å; L68-F82 HydrophobicContact CD2-CE1 3.84Å; L68-F82 HydrophobicContact CD2-CZ 4.42Å; L68-F82 HydrophobicContact CG-CE1 4.34Å; L68-F82 HydrophobicContact CG-CZ 4.44Å; K69-F82 HydrophobicContact CB-CE2 4.39Å; K69-F82 HydrophobicContact CG-CD2 4.16Å; K69-F82 HydrophobicContact CG-CE2 4.01Å; K69-F82 HydrophobicContact CG-CZ 4.27Å; C72-F82 HydrophobicContact CB-CE2 3.34Å; C72-F82 HydrophobicContact CB-CZ 3.52Å; C72-F82 WeakPolarHBondContact SG-CE2 3.43Å; C72-F82 WeakPolarHBondContact SG-CZ 3.33Å; V80-F82 PolarHBondContact O-N 2.86Å; F82-S84 VanDerWaalsContact C-N 3.33Å; F82-S84 PolarHBondContact O-N 3.38Å; F82-S84 VanDerWaalsContact O-N 3.08Å
83	M	30.4	Very low	37.7	Very low	176 Å²	176	92.3 Å²	92.3	87%	0.867	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	7.8	-159.8	-81.7	-163.9	158.4	0	0	117.6	S81	S81-M83 PolarHBondContact O-N 2.78Å; S81-M83 WeakPolarHBondContact OG-CB 3.43Å
84	S	31.9	Very low	38	Very low	110 Å²	110	89.9 Å²	89.9	77%	0.769	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	25.2	-177.8	68.7	0	0	0	0	117.7	F82 S86	F82-S84 VanDerWaalsContact C-N 3.33Å; F82-S84 PolarHBondContact O-N 3.38Å; F82-S84 VanDerWaalsContact O-N 3.08Å; S84-S86 PolarHBondContact O-N 3.37Å
85	C	32.7	Very low	38.6	Very low	70 Å²	70	91.8 Å²	91.8	47%	0.473	51%	0.507	S	S	.	.			trans	-72.5	80.9	162.3	-75.6	0	0	0	0	110	V87	C85-V87 PolarHBondContact O-N 3.29Å; C85-V87 VanDerWaalsContact O-N 3.13Å
86	S	32.7	Very low	39.3	Very low	54 Å²	54	99.6 Å²	99.6	38%	0.378	53%	0.533	S	S	.	.			trans	-69.5	105.3	170.2	177.9	0	0	0	0	109.3	S84 N88 K89	S84-S86 PolarHBondContact O-N 3.37Å; S86-N88 PolarHBondContact O-N 3.02Å; S86-N88 VanDerWaalsContact O-N 3.15Å; S86-K89 PolarHBondContact O-N 3.38Å
87	V	35.3	Very low	39.6	Very low	83 Å²	83	90.9 Å²	90.9	50%	0.503	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-58.5	-20.6	173.3	-166	0	0	0	0	111.4	C85 K89 L90	C85-V87 PolarHBondContact O-N 3.29Å; C85-V87 VanDerWaalsContact O-N 3.13Å; V87-K89 PolarHBondContact O-N 2.83Å; V87-K89 VanDerWaalsContact O-N 3.16Å; V87-L90 HydrophobicContact CG1-CD1 3.6Å; V87-L90 WeakPolarHBondContact O-CD1 3.4Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.26Å
88	N	32.7	Very low	40.1	Very low	142 Å²	142	87.6 Å²	87.6	76%	0.759	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-72.5	-3.3	-179.1	-59.9	-8.9	0	0	0	114.1	S86	S86-N88 PolarHBondContact O-N 3.02Å; S86-N88 VanDerWaalsContact O-N 3.15Å
89	K	40.3	Very low	40.9	Very low	136 Å²	136	90.4 Å²	90.4	59%	0.591	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-97	-0.1	178.2	-66.8	-175.4	179.8	176.1	0	113.7	S86 V87 S92	S86-K89 PolarHBondContact O-N 3.38Å; V87-K89 PolarHBondContact O-N 2.83Å; V87-K89 VanDerWaalsContact O-N 3.16Å; K89-S92 PolarHBondContact O-N 3.32Å; K89-S92 PolarHBondContact O-OG 2.84Å
90	L	38.3	Very low	41.7	Very low	24 Å²	24	85 Å²	85	13%	0.126	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-72.3	-29.1	-173.2	-63.8	179.8	0	0	0	114.3	S44 L45 V87 S92 I93	S44-L90 WeakPolarHBondContact O-CD1 3.42Å; S44-L90 WeakPolarHBondContact O-CD2 3.38Å; L45-L90 HydrophobicContact CD2-CD2 4.46Å; V87-L90 HydrophobicContact CG1-CD1 3.6Å; V87-L90 WeakPolarHBondContact O-CD1 3.4Å; V87-L90 WeakPolarHBondContact O-CG 3.49Å; V87-L90 PolarHBondContact O-N 3.26Å; L90-S92 PolarHBondContact O-N 2.89Å; L90-I93 HydrophobicContact CB-CD1 4.45Å; L90-I93 HydrophobicContact CD2-CD1 3.6Å; L90-I93 PolarHBondContact O-N 2.75Å
91	D	41.6	Very low	42.4	Very low	129 Å²	129	83.8 Å²	83.8	69%	0.69	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-64.9	-15.2	-179.1	-54.9	-25.7	0	0	0	112.6
92	S	45.1	Very low	43.1	Very low	49 Å²	49	85.3 Å²	85.3	34%	0.343	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-93.7	-1.2	-178.1	71.8	0	0	0	0	115.1	M1 K89 L90	M1-S92 WeakPolarHBondContact CE-O 3.28Å; K89-S92 PolarHBondContact O-N 3.32Å; K89-S92 PolarHBondContact O-OG 2.84Å; L90-S92 PolarHBondContact O-N 2.89Å
93	I	46.6	Very low	44	Very low	15 Å²	15	89 Å²	89	8%	0.077	47%	0.472	C	S	.	.			trans	-81.6	127.7	-179.7	-59	164.7	0	0	0	109.4	L45 R49 L90 E97	L45-I93 HydrophobicContact CB-CD1 3.85Å; L45-I93 HydrophobicContact CD2-CD1 3.3Å; L45-I93 HydrophobicContact CD2-CG1 4.12Å; L45-I93 HydrophobicContact CG-CD1 4.18Å; R49-I93 PolarHBondContact NH1-O 3.35Å; R49-I93 VanDerWaalsContact NH1-O 3.1Å; L90-I93 HydrophobicContact CB-CD1 4.45Å; L90-I93 HydrophobicContact CD2-CD1 3.6Å; L90-I93 PolarHBondContact O-N 2.75Å; I93-E97 WeakPolarHBondContact CA-OE2 3.26Å; I93-E97 HydrophobicContact CG2-CB 3.71Å
94	D	53	Low	45	Very low	79 Å²	79	87.1 Å²	87.1	42%	0.422	46%	0.457	S	S	.	.			trans	-86.8	167.5	177.9	76.1	31.8	0	0	0	112.8	R96 E97 C98	D94-R96 PolarHBondContact O-N 2.87Å; D94-R96 WeakPolarHBondContact OD1-CA 3.42Å; D94-R96 VanDerWaalsContact OD1-CB 3.24Å; D94-R96 WeakPolarHBondContact OD1-CB 3.46Å; D94-R96 PolarHBondContact OD1-N 3.49Å; D94-E97 PolarHBondContact N-OE2 2.88Å; D94-E97 PolarHBondContact O-N 3.35Å; D94-E97 PolarHBondContact OD1-N 3.36Å; D94-C98 PolarHBondContact O-N 3.24Å; D94-C98 VanDerWaalsContact O-N 3.08Å
95	N	56.3	Low	45.7	Very low	112 Å²	112	83 Å²	83	60%	0.599	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-23.6	-178.2	-70.6	-21.3	0	0	0	113.5	C98 S99	N95-C98 WeakPolarHBondContact O-CB 3.34Å; N95-S99 WeakPolarHBondContact O-CB 3.14Å; N95-S99 PolarHBondContact O-N 3.35Å; N95-S99 PolarHBondContact O-OG 2.71Å
96	R	53.8	Low	46.5	Very low	186 Å²	186	83 Å²	83	70%	0.702	42%	0.423	S	S	*	.	H	α-helix	trans	-75.6	-45.9	179.6	-177.1	-176.8	178.8	-177.2	1	110.1	D94 C98 S99 Q100	D94-R96 PolarHBondContact O-N 2.87Å; D94-R96 WeakPolarHBondContact OD1-CA 3.42Å; D94-R96 VanDerWaalsContact OD1-CB 3.24Å; D94-R96 WeakPolarHBondContact OD1-CB 3.46Å; D94-R96 PolarHBondContact OD1-N 3.49Å; R96-C98 VanDerWaalsContact C-N 3.29Å; R96-C98 PolarHBondContact O-N 3.46Å; R96-S99 PolarHBondContact O-N 2.89Å; R96-Q100 WeakPolarHBondContact O-CG 3.05Å; R96-Q100 PolarHBondContact O-N 3.24Å
97	E	47.2	Very low	47.3	Very low	66 Å²	66	82.8 Å²	82.8	31%	0.308	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-42.1	173.3	-67.9	176	137.8	0	0	110.7	I93 D94 S99 Q100 A101	I93-E97 WeakPolarHBondContact CA-OE2 3.26Å; I93-E97 HydrophobicContact CG2-CB 3.71Å; D94-E97 PolarHBondContact N-OE2 2.88Å; D94-E97 PolarHBondContact O-N 3.35Å; D94-E97 PolarHBondContact OD1-N 3.36Å; E97-S99 PolarHBondContact O-N 2.99Å; E97-Q100 PolarHBondContact O-N 3.43Å; E97-A101 WeakPolarHBondContact O-CB 3.49Å; E97-A101 PolarHBondContact O-N 2.88Å
98	C	47.4	Very low	47.8	Very low	9 Å²	9	80.9 Å²	80.9	6%	0.061	40%	0.404	C	S	.	.	H	α-helix	trans	-56.3	-49.2	171.3	-88	0	0	0	0	113.2	C50 D94 N95 R96 Q100 A101 K102	C50-C98 VanDerWaalsContact CA-SG 3.6Å; C50-C98 HydrophobicContact CB-CB 3.65Å; C50-C98 WeakPolarHBondContact CB-SG 3.18Å; C50-C98 WeakPolarHBondContact SG-CA 3.34Å; C50-C98 WeakPolarHBondContact SG-CB 3.33Å; C50-C98 CovalentContact SG-SG 2.03Å; C50-C98 PolarHBondContact SG-SG 2.77Å; D94-C98 PolarHBondContact O-N 3.24Å; D94-C98 VanDerWaalsContact O-N 3.08Å; N95-C98 WeakPolarHBondContact O-CB 3.34Å; R96-C98 VanDerWaalsContact C-N 3.29Å; R96-C98 PolarHBondContact O-N 3.46Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.32Å; C98-A101 PolarHBondContact O-N 3.36Å; C98-K102 WeakPolarHBondContact O-CB 3.21Å; C98-K102 PolarHBondContact O-N 3.29Å
99	S	53.3	Low	48.4	Very low	78 Å²	78	82.4 Å²	82.4	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-40	-178	-62.6	0	0	0	0	111.5	N95 R96 E97 K102 M103	N95-S99 WeakPolarHBondContact O-CB 3.14Å; N95-S99 PolarHBondContact O-N 3.35Å; N95-S99 PolarHBondContact O-OG 2.71Å; R96-S99 PolarHBondContact O-N 2.89Å; E97-S99 PolarHBondContact O-N 2.99Å; S99-K102 PolarHBondContact O-N 3.17Å; S99-M103 WeakPolarHBondContact O-CB 2.98Å; S99-M103 PolarHBondContact O-N 3.06Å
100	Q	50.5	Low	48.9	Very low	80 Å²	80	84 Å²	84	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-48.2	174.2	-72	-179.2	-10.9	0	0	111.2	R96 E97 C98 K102 M103 Y104	R96-Q100 WeakPolarHBondContact O-CG 3.05Å; R96-Q100 PolarHBondContact O-N 3.24Å; E97-Q100 PolarHBondContact O-N 3.43Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.32Å; Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.49Å; Q100-M103 PolarHBondContact O-N 3.33Å; Q100-M103 VanDerWaalsContact O-N 3.15Å; Q100-Y104 HydrophobicContact CB-CD2 4.46Å; Q100-Y104 HydrophobicContact CB-CE2 4.31Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.49Å; Q100-Y104 PolarHBondContact O-N 3Å
101	A	52.8	Low	49.4	Very low	20 Å²	20	88.3 Å²	88.3	17%	0.165	42%	0.419	C	S	.	.	H	α-helix	trans	-58.7	-41.3	178.4	0	0	0	0	0	111.7	I46 E97 C98 Y104 S105	I46-A101 HydrophobicContact CD1-CB 3.69Å; I46-A101 HydrophobicContact CG1-CB 3.68Å; E97-A101 WeakPolarHBondContact O-CB 3.49Å; E97-A101 PolarHBondContact O-N 2.88Å; C98-A101 PolarHBondContact O-N 3.36Å; A101-Y104 PolarHBondContact O-N 2.81Å; A101-S105 WeakPolarHBondContact O-CB 3.39Å; A101-S105 PolarHBondContact O-N 3.01Å
102	K	49.2	Very low	49.3	Very low	119 Å²	119	86.3 Å²	86.3	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-43.7	174.3	-170.1	174.3	-176.6	174.5	0	112.5	C98 S99 Q100 Y104 S105 N106	C98-K102 WeakPolarHBondContact O-CB 3.21Å; C98-K102 PolarHBondContact O-N 3.29Å; S99-K102 PolarHBondContact O-N 3.17Å; Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.49Å; K102-Y104 PolarHBondContact O-N 3.15Å; K102-S105 VanDerWaalsContact O-CB 3.31Å; K102-S105 WeakPolarHBondContact O-CB 3.28Å; K102-S105 PolarHBondContact O-N 3.45Å; K102-N106 PolarHBondContact O-N 2.72Å
103	M	54	Low	49.4	Very low	131 Å²	131	88.4 Å²	88.4	65%	0.645	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-43.5	176.9	-172.9	-171	-121	0	0	111.8	S99 Q100 N106 T107	S99-M103 WeakPolarHBondContact O-CB 2.98Å; S99-M103 PolarHBondContact O-N 3.06Å; Q100-M103 PolarHBondContact O-N 3.33Å; Q100-M103 VanDerWaalsContact O-N 3.15Å; M103-N106 PolarHBondContact O-N 3.25Å; M103-T107 WeakPolarHBondContact O-CB 3.29Å; M103-T107 PolarHBondContact O-N 3.27Å; M103-T107 PolarHBondContact O-OG1 3.47Å
104	Y	49.6	Very low	49.4	Very low	138 Å²	138	90.9 Å²	90.9	54%	0.541	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175.6	-74.9	-62.5	0	0	0	111.6	Q100 A101 K102 N106 T107 F108	Q100-Y104 HydrophobicContact CB-CD2 4.46Å; Q100-Y104 HydrophobicContact CB-CE2 4.31Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.49Å; Q100-Y104 PolarHBondContact O-N 3Å; A101-Y104 PolarHBondContact O-N 2.81Å; K102-Y104 PolarHBondContact O-N 3.15Å; Y104-N106 PolarHBondContact O-N 3.08Å; Y104-T107 PolarHBondContact O-N 3.45Å; Y104-F108 WeakPolarHBondContact O-CB 3.37Å; Y104-F108 PolarHBondContact O-N 3.09Å
105	S	47.8	Very low	48.8	Very low	23 Å²	23	97.7 Å²	97.7	16%	0.161	48%	0.484	C	S	.	.	H	α-helix	trans	-54.5	-52.4	173.3	-166.3	0	0	0	0	112.2	L42 A101 K102 T107 F108 R109	L42-S105 WeakPolarHBondContact CD2-OG 3.46Å; A101-S105 WeakPolarHBondContact O-CB 3.39Å; A101-S105 PolarHBondContact O-N 3.01Å; K102-S105 VanDerWaalsContact O-CB 3.31Å; K102-S105 WeakPolarHBondContact O-CB 3.28Å; K102-S105 PolarHBondContact O-N 3.45Å; S105-T107 PolarHBondContact O-N 3.08Å; S105-F108 WeakPolarHBondContact O-CB 3.39Å; S105-F108 PolarHBondContact O-N 3.05Å; S105-R109 WeakPolarHBondContact O-CG 3.26Å; S105-R109 PolarHBondContact O-N 3.03Å
106	N	48.7	Very low	48.4	Very low	71 Å²	71	97 Å²	97	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-40.1	-177.4	-75.2	-15	0	0	0	112.4	K102 M103 Y104 F108 R109 R110	K102-N106 PolarHBondContact O-N 2.72Å; M103-N106 PolarHBondContact O-N 3.25Å; Y104-N106 PolarHBondContact O-N 3.08Å; N106-F108 VanDerWaalsContact C-N 3.28Å; N106-F108 PolarHBondContact O-N 2.67Å; N106-R109 PolarHBondContact O-N 3.43Å; N106-R110 WeakPolarHBondContact O-CG 3.45Å; N106-R110 PolarHBondContact O-N 3.4Å; N106-R110 PolarHBondContact O-NE 3.1Å
107	T	50	Low	48.1	Very low	49 Å²	49	92.3 Å²	92.3	30%	0.301	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.4	-59.3	0	0	0	0	111.3	M103 Y104 S105 R110 K111	M103-T107 WeakPolarHBondContact O-CB 3.29Å; M103-T107 PolarHBondContact O-N 3.27Å; M103-T107 PolarHBondContact O-OG1 3.47Å; Y104-T107 PolarHBondContact O-N 3.45Å; S105-T107 PolarHBondContact O-N 3.08Å; T107-R110 PolarHBondContact OG1-NH2 2.08Å; T107-K111 WeakPolarHBondContact O-CG 3.21Å; T107-K111 PolarHBondContact O-N 3.24Å; T107-K111 VanDerWaalsContact O-N 3.08Å
108	F	45.9	Very low	48.1	Very low	42 Å²	42	93.8 Å²	93.8	18%	0.184	48%	0.475	C	S	.	.	H	α-helix	trans	-68.9	-46.1	175.1	-178.8	-111.8	0	0	0	113	I35 R38 Y104 S105 N106 R110 K111 L112	I35-F108 HydrophobicContact CG1-CZ 3.99Å; R38-F108 VanDerWaalsContact NH1-CG 3.34Å; Y104-F108 WeakPolarHBondContact O-CB 3.37Å; Y104-F108 PolarHBondContact O-N 3.09Å; S105-F108 WeakPolarHBondContact O-CB 3.39Å; S105-F108 PolarHBondContact O-N 3.05Å; N106-F108 VanDerWaalsContact C-N 3.28Å; N106-F108 PolarHBondContact O-N 2.67Å; F108-R110 PolarHBondContact O-N 2.92Å; F108-K111 CarbonylContact O-C 3.49Å; F108-K111 WeakPolarHBondContact O-CA 3.39Å; F108-K111 PolarHBondContact O-N 2.99Å; F108-L112 HydrophobicContact CD1-CD1 3.93Å; F108-L112 HydrophobicContact CD1-CG 4.29Å; F108-L112 HydrophobicContact CD2-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.21Å; F108-L112 HydrophobicContact CE1-CG 3.76Å; F108-L112 HydrophobicContact CE2-CD1 4.32Å; F108-L112 HydrophobicContact CE2-CD2 4.25Å; F108-L112 HydrophobicContact CE2-CG 3.99Å; F108-L112 HydrophobicContact CZ-CD1 3.46Å; F108-L112 VanDerWaalsContact CZ-CD1 3.46Å; F108-L112 HydrophobicContact CZ-CD2 3.91Å; F108-L112 HydrophobicContact CZ-CG 3.6Å; F108-L112 PolarHBondContact O-N 3.28Å
109	R	45.2	Very low	48.2	Very low	175 Å²	175	98.8 Å²	98.8	66%	0.66	50%	0.5	S	S	*	.	H	α-helix	trans	-53.7	-42.3	174.4	-72	-179.1	78.6	165.3	5.2	111.2	S105 N106 L112 A113	S105-R109 WeakPolarHBondContact O-CG 3.26Å; S105-R109 PolarHBondContact O-N 3.03Å; N106-R109 PolarHBondContact O-N 3.43Å; R109-L112 PolarHBondContact O-N 2.94Å; R109-A113 WeakPolarHBondContact O-CB 3.45Å; R109-A113 PolarHBondContact O-N 3.25Å
110	R	50.8	Low	47.9	Very low	170 Å²	170	100.1 Å²	100.1	64%	0.642	50%	0.497	S	S	*	.	H	α-helix	trans	-62.1	-41.1	174.2	-73.4	-177.4	-74.1	177.9	0.9	112.7	N106 T107 F108 G114	N106-R110 WeakPolarHBondContact O-CG 3.45Å; N106-R110 PolarHBondContact O-N 3.4Å; N106-R110 PolarHBondContact O-NE 3.1Å; T107-R110 PolarHBondContact OG1-NH2 2.08Å; F108-R110 PolarHBondContact O-N 2.92Å; R110-G114 PolarHBondContact O-N 3.14Å
111	K	47.7	Very low	47.7	Very low	113 Å²	113	101.4 Å²	101.4	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-71.2	-33.1	177.2	-75.4	-171.2	174	-163.1	0	113.9	Y20 T107 F108	Y20-K111 PolarHBondContact OH-NZ 2.96Å; T107-K111 WeakPolarHBondContact O-CG 3.21Å; T107-K111 PolarHBondContact O-N 3.24Å; T107-K111 VanDerWaalsContact O-N 3.08Å; F108-K111 CarbonylContact O-C 3.49Å; F108-K111 WeakPolarHBondContact O-CA 3.39Å; F108-K111 PolarHBondContact O-N 2.99Å
112	L	40.3	Very low	47.3	Very low	88 Å²	88	107.2 Å²	107.2	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-72.3	-43.1	173.5	-78.7	-176.5	0	0	0	111.6	F108 R109 G114 K115	F108-L112 HydrophobicContact CD1-CD1 3.93Å; F108-L112 HydrophobicContact CD1-CG 4.29Å; F108-L112 HydrophobicContact CD2-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.21Å; F108-L112 HydrophobicContact CE1-CG 3.76Å; F108-L112 HydrophobicContact CE2-CD1 4.32Å; F108-L112 HydrophobicContact CE2-CD2 4.25Å; F108-L112 HydrophobicContact CE2-CG 3.99Å; F108-L112 HydrophobicContact CZ-CD1 3.46Å; F108-L112 VanDerWaalsContact CZ-CD1 3.46Å; F108-L112 HydrophobicContact CZ-CD2 3.91Å; F108-L112 HydrophobicContact CZ-CG 3.6Å; F108-L112 PolarHBondContact O-N 3.28Å; R109-L112 PolarHBondContact O-N 2.94Å; L112-G114 PolarHBondContact O-N 3.26Å; L112-K115 PolarHBondContact O-N 3.28Å; L112-K115 VanDerWaalsContact O-N 3.08Å
113	A	48	Very low	47.2	Very low	93 Å²	93	106.3 Å²	106.3	77%	0.769	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-20.1	176.9	0	0	0	0	0	113.2	R109	R109-A113 WeakPolarHBondContact O-CB 3.45Å; R109-A113 PolarHBondContact O-N 3.25Å
114	G	46	Very low	46.6	Very low	67 Å²	67	104.3 Å²	104.3	69%	0.691	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	5.7	174.8	0	0	0	0	0	115.1	R110 L112	R110-G114 PolarHBondContact O-N 3.14Å; L112-G114 PolarHBondContact O-N 3.26Å
115	K	39.6	Very low	46.4	Very low	222 Å²	222	101.2 Å²	101.2	97%	0.965	52%	0.519	S	S	*	.			trans	-129.1	0	177	-79.9	-166.5	173.7	-171.4	0	111.2	L112	L112-K115 PolarHBondContact O-N 3.28Å; L112-K115 VanDerWaalsContact O-N 3.08Å

Retrieved 115 of 115 residues in 39.5 ms (Link to these results)

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