G4VSL2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VSL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 aa.

						>G4VSL2_SCHMA|G4VSL2
MKNYQKYQRISVILSFLDRSREIPFERLFYNTKCFNFWKSAPNTTKNARSQSSSNRTIKKRAANMTDTRIIAIKTNYIQLSKEHGDSIKNDSKTKKIERYSLN
					

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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	50	Low	52	Low	218 Å²	218	103.5 Å²	103.5	100%	1.074	47%	0.466	S	S	*	.				0	-24.9	0	-70.6	175.4	90.6	0	0	115.8	N3 Y4	M1-N3 PolarHBondContact O-N 3.38Å; M1-Y4 PolarHBondContact O-N 3.28Å
2	K	51.4	Low	52.4	Low	184 Å²	184	102.4 Å²	102.4	80%	0.8	47%	0.473	S	S	*	.	H	α-helix	trans	-64.4	-31.9	-177.5	-73.6	178.8	177.8	175.5	0	115.3	K6	K2-K6 PolarHBondContact O-N 3.42Å
3	N	48.4	Very low	52.9	Low	86 Å²	86	95.8 Å²	95.8	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-73	-34.6	-179.5	-76	-5.1	0	0	0	113.3	M1 Q5 K6 Y7	M1-N3 PolarHBondContact O-N 3.38Å; N3-Q5 PolarHBondContact O-N 3.23Å; N3-K6 WeakPolarHBondContact O-CB 3.25Å; N3-K6 PolarHBondContact O-N 3.49Å; N3-K6 VanDerWaalsContact O-N 3.14Å; N3-Y7 WeakPolarHBondContact O-CB 3.4Å; N3-Y7 PolarHBondContact O-N 3.39Å
4	Y	47.4	Very low	53.1	Low	127 Å²	127	89.6 Å²	89.6	50%	0.498	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-41.1	180	-172.4	-102.4	0	0	0	112.5	M1 K6 Y7 Q8	M1-Y4 PolarHBondContact O-N 3.28Å; Y4-K6 VanDerWaalsContact C-N 3.3Å; Y4-K6 PolarHBondContact O-N 3.35Å; Y4-Y7 PolarHBondContact O-N 3.47Å; Y4-Q8 HydrophobicContact CD1-CG 4.25Å; Y4-Q8 VanDerWaalsContact CE1-CD 3.5Å; Y4-Q8 HydrophobicContact CE1-CG 3.87Å; Y4-Q8 PolarHBondContact O-N 2.87Å; Y4-Q8 PolarHBondContact OH-NE2 3.45Å
5	Q	54.9	Low	53	Low	123 Å²	123	87.5 Å²	87.5	58%	0.575	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-36.5	173.4	-73	-178.1	-16.7	0	0	112.3	N3 R9	N3-Q5 PolarHBondContact O-N 3.23Å; Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.28Å; Q5-R9 PolarHBondContact O-N 3.04Å; Q5-R9 VanDerWaalsContact O-N 3.13Å
6	K	53.6	Low	52.8	Low	120 Å²	120	89 Å²	89	52%	0.522	42%	0.419	S	S	.	.	H	α-helix	trans	-66	-41.6	174.9	-163.5	-179	-179.2	-173	0	110.7	K2 N3 Y4 R9 I10	K2-K6 PolarHBondContact O-N 3.42Å; N3-K6 WeakPolarHBondContact O-CB 3.25Å; N3-K6 PolarHBondContact O-N 3.49Å; N3-K6 VanDerWaalsContact O-N 3.14Å; Y4-K6 VanDerWaalsContact C-N 3.3Å; Y4-K6 PolarHBondContact O-N 3.35Å; K6-R9 PolarHBondContact O-N 3.06Å; K6-I10 HydrophobicContact CG-CD1 4.32Å; K6-I10 VanDerWaalsContact O-CG1 3.29Å; K6-I10 WeakPolarHBondContact O-CG1 3.3Å; K6-I10 PolarHBondContact O-N 3.3Å; K6-I10 VanDerWaalsContact O-N 3.07Å
7	Y	47.6	Very low	52.7	Low	4 Å²	4	85.2 Å²	85.2	2%	0.016	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-45.3	177.6	-176.4	-111.2	0	0	0	113.2	N3 Y4 R9 I10 S11 Y77 L80 S81 D86	N3-Y7 WeakPolarHBondContact O-CB 3.4Å; N3-Y7 PolarHBondContact O-N 3.39Å; Y4-Y7 PolarHBondContact O-N 3.47Å; Y7-R9 VanDerWaalsContact C-N 3.32Å; Y7-R9 PolarHBondContact O-N 2.97Å; Y7-I10 PolarHBondContact O-N 3.33Å; Y7-S11 PolarHBondContact O-N 3.21Å; Y7-Y77 HydrophobicContact CD2-CD2 4.06Å; Y7-Y77 HydrophobicContact CD2-CE2 4.09Å; Y7-Y77 HydrophobicContact CE1-CE2 4.49Å; Y7-Y77 AromaticContact CE2-CD2 3.56Å; Y7-Y77 HydrophobicContact CE2-CD2 3.56Å; Y7-Y77 AromaticContact CE2-CE2 3.35Å; Y7-Y77 HydrophobicContact CE2-CE2 3.35Å; Y7-Y77 HydrophobicContact CE2-CG 4.42Å; Y7-Y77 AromaticContact CZ-CE2 3.61Å; Y7-Y77 PolarHBondContact OH-OH 3.17Å; Y7-L80 HydrophobicContact CD2-CB 3.45Å; Y7-L80 VanDerWaalsContact CD2-CB 3.45Å; Y7-L80 HydrophobicContact CD2-CD1 4.38Å; Y7-L80 HydrophobicContact CD2-CG 4.49Å; Y7-L80 HydrophobicContact CE2-CB 3.96Å; Y7-L80 HydrophobicContact CG-CB 4.4Å; Y7-S81 VanDerWaalsContact CE2-OG 3.23Å; Y7-S81 WeakPolarHBondContact CE2-OG 3.46Å; Y7-S81 VanDerWaalsContact CZ-OG 3.29Å; Y7-S81 WeakPolarHBondContact OH-CB 3.23Å; Y7-S81 PolarHBondContact OH-OG 2.52Å; Y7-D86 VanDerWaalsContact CE1-OD2 3.25Å; Y7-D86 WeakPolarHBondContact CE1-OD2 3.44Å; Y7-D86 VanDerWaalsContact CZ-OD2 3.24Å; Y7-D86 PolarHBondContact OH-OD2 3.33Å
8	Q	54.7	Low	52.5	Low	87 Å²	87	82.9 Å²	82.9	41%	0.407	39%	0.393	S	S	.	.	H	α-helix	trans	-58.2	-44.1	173.9	-77.5	-167.9	-24	0	0	111.8	Y4 I10 S11 V12	Y4-Q8 HydrophobicContact CD1-CG 4.25Å; Y4-Q8 VanDerWaalsContact CE1-CD 3.5Å; Y4-Q8 HydrophobicContact CE1-CG 3.87Å; Y4-Q8 PolarHBondContact O-N 2.87Å; Y4-Q8 PolarHBondContact OH-NE2 3.45Å; Q8-I10 PolarHBondContact O-N 3.42Å; Q8-S11 PolarHBondContact O-N 2.88Å; Q8-V12 WeakPolarHBondContact O-CG2 3.29Å; Q8-V12 PolarHBondContact O-N 3.46Å
9	R	54	Low	51.8	Low	161 Å²	161	89.9 Å²	89.9	61%	0.608	42%	0.415	S	S	*	.	H	α-helix	trans	-59.2	-45.2	175.9	-81.7	171.2	158.1	174.7	-2.5	112.4	Q5 K6 Y7 V12 I13 F37	Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.28Å; Q5-R9 PolarHBondContact O-N 3.04Å; Q5-R9 VanDerWaalsContact O-N 3.13Å; K6-R9 PolarHBondContact O-N 3.06Å; Y7-R9 VanDerWaalsContact C-N 3.32Å; Y7-R9 PolarHBondContact O-N 2.97Å; R9-V12 PolarHBondContact O-N 2.93Å; R9-I13 VanDerWaalsContact O-CD1 3.29Å; R9-I13 WeakPolarHBondContact O-CD1 3.29Å; R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 3.33Å; R9-I13 PolarHBondContact O-N 3.21Å; R9-F37 HydrophobicContact CB-CE2 3.84Å; R9-F37 HydrophobicContact CB-CZ 4.39Å; R9-F37 HydrophobicContact CG-CE2 4.19Å
10	I	55.9	Low	51.1	Low	19 Å²	19	86 Å²	86	10%	0.097	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-39.1	178.9	-67.8	166.6	0	0	0	111.3	K6 Y7 Q8 I13 L14 I73 Y77 L80	K6-I10 HydrophobicContact CG-CD1 4.32Å; K6-I10 VanDerWaalsContact O-CG1 3.29Å; K6-I10 WeakPolarHBondContact O-CG1 3.3Å; K6-I10 PolarHBondContact O-N 3.3Å; K6-I10 VanDerWaalsContact O-N 3.07Å; Y7-I10 PolarHBondContact O-N 3.33Å; Q8-I10 PolarHBondContact O-N 3.42Å; I10-I13 WeakPolarHBondContact O-CB 3.43Å; I10-I13 PolarHBondContact O-N 3.4Å; I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 HydrophobicContact CG2-CG 4.49Å; I10-L14 PolarHBondContact O-N 3.34Å; I10-I73 HydrophobicContact CG2-CG2 4.07Å; I10-Y77 HydrophobicContact CB-CD2 4.38Å; I10-Y77 HydrophobicContact CG2-CD2 3.67Å; I10-Y77 HydrophobicContact CG2-CG 4.09Å; I10-L80 HydrophobicContact CD1-CD1 3.6Å
11	S	54.3	Low	50.5	Low	10 Å²	10	88.2 Å²	88.2	7%	0.07	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.2	170.4	0	0	0	0	113.5	Y7 Q8 I13 L14 S15 R99	Y7-S11 PolarHBondContact O-N 3.21Å; Q8-S11 PolarHBondContact O-N 2.88Å; S11-I13 PolarHBondContact O-N 2.58Å; S11-L14 PolarHBondContact O-N 3.11Å; S11-S15 WeakPolarHBondContact O-CB 3.47Å; S11-S15 PolarHBondContact O-N 3.34Å; S11-S15 PolarHBondContact O-OG 3.36Å; S11-R99 PolarHBondContact OG-NE 3.07Å; S11-R99 PolarHBondContact OG-NH1 3.24Å; S11-R99 PolarHBondContact OG-NH2 3.17Å
12	V	56.6	Low	50	Low	90 Å²	90	86.6 Å²	86.6	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-39.6	176.1	171.9	0	0	0	0	109.8	Q8 R9 S15 F16	Q8-V12 WeakPolarHBondContact O-CG2 3.29Å; Q8-V12 PolarHBondContact O-N 3.46Å; R9-V12 PolarHBondContact O-N 2.93Å; V12-S15 WeakPolarHBondContact CA-OG 3.48Å; V12-S15 PolarHBondContact O-OG 3.1Å; V12-F16 WeakPolarHBondContact O-CB 3.34Å; V12-F16 PolarHBondContact O-N 3.28Å
13	I	59.3	Low	49.2	Very low	17 Å²	17	81.6 Å²	81.6	9%	0.087	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-44.9	177.5	-67.9	160.5	0	0	0	111.4	R9 I10 S11 F16 L17 F37	R9-I13 VanDerWaalsContact O-CD1 3.29Å; R9-I13 WeakPolarHBondContact O-CD1 3.29Å; R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 3.33Å; R9-I13 PolarHBondContact O-N 3.21Å; I10-I13 WeakPolarHBondContact O-CB 3.43Å; I10-I13 PolarHBondContact O-N 3.4Å; S11-I13 PolarHBondContact O-N 2.58Å; I13-F16 PolarHBondContact O-N 3.07Å; I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.22Å; I13-L17 WeakPolarHBondContact O-CB 3.48Å; I13-L17 VanDerWaalsContact O-CG 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.36Å; I13-L17 PolarHBondContact O-N 3.02Å; I13-F37 HydrophobicContact CD1-CD1 3.32Å; I13-F37 HydrophobicContact CD1-CD2 3.86Å; I13-F37 HydrophobicContact CD1-CE1 3.01Å; I13-F37 HydrophobicContact CD1-CE2 3.59Å; I13-F37 HydrophobicContact CD1-CG 3.74Å; I13-F37 HydrophobicContact CD1-CZ 3.15Å; I13-F37 HydrophobicContact CG1-CD1 4.41Å; I13-F37 HydrophobicContact CG1-CE1 4.41Å
14	L	55.3	Low	48.9	Very low	8 Å²	8	81.6 Å²	81.6	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-41	179.4	-78.8	171.2	0	0	0	112.1	I10 S11 F16 L17 D18 I73 K74 Y77 I97	I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 HydrophobicContact CG2-CG 4.49Å; I10-L14 PolarHBondContact O-N 3.34Å; S11-L14 PolarHBondContact O-N 3.11Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 3.08Å; L14-D18 WeakPolarHBondContact O-CB 3.48Å; L14-D18 PolarHBondContact O-N 2.86Å; L14-I73 HydrophobicContact CD1-CG2 4.36Å; L14-I73 HydrophobicContact CD2-CG2 3.82Å; L14-I73 HydrophobicContact CG-CG2 3.93Å; L14-K74 HydrophobicContact CD2-CG 3.86Å; L14-Y77 HydrophobicContact CD1-CD1 3.5Å; L14-Y77 VanDerWaalsContact CD1-CD1 3.5Å; L14-Y77 HydrophobicContact CD1-CD2 3.66Å; L14-Y77 HydrophobicContact CD1-CE1 4.19Å; L14-Y77 HydrophobicContact CD1-CE2 4.31Å; L14-Y77 HydrophobicContact CD1-CG 3.18Å; L14-I97 HydrophobicContact CB-CD1 4.08Å; L14-I97 HydrophobicContact CD1-CD1 3.91Å; L14-I97 HydrophobicContact CD2-CD1 4.39Å; L14-I97 HydrophobicContact CG-CD1 4.37Å
15	S	51.7	Low	48.7	Very low	59 Å²	59	77.2 Å²	77.2	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-35.4	174.4	46.8	0	0	0	0	112.3	S11 V12 R19	S11-S15 WeakPolarHBondContact O-CB 3.47Å; S11-S15 PolarHBondContact O-N 3.34Å; S11-S15 PolarHBondContact O-OG 3.36Å; V12-S15 WeakPolarHBondContact CA-OG 3.48Å; V12-S15 PolarHBondContact O-OG 3.1Å; S15-R19 PolarHBondContact O-N 3.47Å; S15-R19 VanDerWaalsContact O-N 3.13Å
16	F	49.7	Very low	48	Very low	111 Å²	111	75.4 Å²	75.4	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-44.6	171.2	-135.6	-80.7	0	0	0	111.5	V12 I13 L14 S20 L28	V12-F16 WeakPolarHBondContact O-CB 3.34Å; V12-F16 PolarHBondContact O-N 3.28Å; I13-F16 PolarHBondContact O-N 3.07Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.45Å; F16-S20 WeakPolarHBondContact O-CB 3.1Å; F16-S20 PolarHBondContact O-N 2.65Å; F16-S20 PolarHBondContact O-OG 3.27Å; F16-L28 HydrophobicContact CD1-CD2 3.57Å; F16-L28 HydrophobicContact CE1-CD2 4.18Å
17	L	50.3	Low	47.3	Very low	25 Å²	25	78.7 Å²	78.7	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-68.1	-34.7	179	-71	173.5	0	0	0	113	I13 L14 S20 R21 F25 L28	I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.22Å; I13-L17 WeakPolarHBondContact O-CB 3.48Å; I13-L17 VanDerWaalsContact O-CG 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.36Å; I13-L17 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 3.08Å; L17-S20 CarbonylContact O-C 3.6Å; L17-S20 PolarHBondContact O-N 3.4Å; L17-R21 PolarHBondContact O-N 3.13Å; L17-F25 HydrophobicContact CD1-CE2 4.44Å; L17-F25 HydrophobicContact CD2-CD2 3.56Å; L17-F25 HydrophobicContact CD2-CE2 3.41Å; L17-F25 VanDerWaalsContact CD2-CE2 3.41Å; L17-L28 HydrophobicContact CD2-CD2 4.06Å
18	D	49	Very low	47.1	Very low	44 Å²	44	79 Å²	79	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-71.7	-40.1	178.9	-141.4	35.9	0	0	0	111.1	L14 S20 R21 K95	L14-D18 WeakPolarHBondContact O-CB 3.48Å; L14-D18 PolarHBondContact O-N 2.86Å; D18-S20 PolarHBondContact O-N 3.48Å; D18-R21 PolarHBondContact O-N 3.46Å; D18-R21 IonicContact OD1-CZ 3.87Å; D18-R21 VanDerWaalsContact OD1-CZ 3.23Å; D18-R21 IonicContact OD1-NE 2.7Å; D18-R21 IonicContact OD1-NH1 3.23Å; D18-R21 IonicContact OD1-NH2 3.64Å; D18-R21 PolarHBondContact OD1-NH2 3.14Å; D18-K95 VanDerWaalsContact OD1-O 3.12Å
19	R	39.4	Very low	46.5	Very low	216 Å²	216	77.4 Å²	77.4	82%	0.815	36%	0.356	S	S	*	.	H	α-helix	trans	-65.4	-28.9	167.4	-75.9	-175.9	177.5	-176.8	-0.6	112.6	S15 R21	S15-R19 PolarHBondContact O-N 3.47Å; S15-R19 VanDerWaalsContact O-N 3.13Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.38Å
20	S	37.7	Very low	45.8	Very low	10 Å²	10	79 Å²	79	7%	0.07	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-86.3	10.5	-178.4	-59.2	0	0	0	0	114.3	F16 L17 D18 E22 I23 L28	F16-S20 WeakPolarHBondContact O-CB 3.1Å; F16-S20 PolarHBondContact O-N 2.65Å; F16-S20 PolarHBondContact O-OG 3.27Å; L17-S20 CarbonylContact O-C 3.6Å; L17-S20 PolarHBondContact O-N 3.4Å; D18-S20 PolarHBondContact O-N 3.48Å; S20-E22 PolarHBondContact O-N 2.96Å; S20-I23 CarbonylContact O-C 3.46Å; S20-I23 PolarHBondContact O-N 2.95Å; S20-L28 VanDerWaalsContact OG-CD1 3.32Å; S20-L28 WeakPolarHBondContact OG-CD1 3.37Å
21	R	40.2	Very low	45	Very low	134 Å²	134	82.2 Å²	82.2	51%	0.506	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-60.1	-14.2	167.6	-75.6	-161	-170.4	125.7	21.1	113.3	L17 D18 R19 K95	L17-R21 PolarHBondContact O-N 3.13Å; D18-R21 PolarHBondContact O-N 3.46Å; D18-R21 IonicContact OD1-CZ 3.87Å; D18-R21 VanDerWaalsContact OD1-CZ 3.23Å; D18-R21 IonicContact OD1-NE 2.7Å; D18-R21 IonicContact OD1-NH1 3.23Å; D18-R21 IonicContact OD1-NH2 3.64Å; D18-R21 PolarHBondContact OD1-NH2 3.14Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.38Å; R21-K95 VanDerWaalsContact NH1-CB 3.33Å; R21-K95 PolarHBondContact NH1-O 2.71Å; R21-K95 VanDerWaalsContact NH1-O 3.11Å; R21-K95 PolarHBondContact NH2-O 2.8Å
22	E	37.8	Very low	44.2	Very low	183 Å²	183	86.5 Å²	86.5	86%	0.855	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-87.8	-10.9	168.5	-70.7	-178.7	168.3	0	0	114.3	S20	S20-E22 PolarHBondContact O-N 2.96Å
23	I	36.5	Very low	43.4	Very low	80 Å²	80	91 Å²	91	41%	0.41	42%	0.419	S	S	.	.	S	Bend	trans	-122.3	117.3	-173.7	-56.5	174.1	0	0	0	109.6	S20 F25 R27 L28	S20-I23 CarbonylContact O-C 3.46Å; S20-I23 PolarHBondContact O-N 2.95Å; I23-F25 PolarHBondContact O-N 2.76Å; I23-R27 HydrophobicContact CG2-CB 3.67Å; I23-L28 HydrophobicContact CB-CD1 4.36Å; I23-L28 HydrophobicContact CG2-CD1 4.22Å
24	P	42.2	Very low	42.5	Very low	86 Å²	86	91.2 Å²	91.2	56%	0.558	42%	0.422	S	S	*	.			trans	-55.2	129.6	-179.7	19.4	-29.7	0	0	0	110.5	E26 R27	P24-E26 PolarHBondContact O-N 3.13Å; P24-R27 WeakPolarHBondContact O-CB 3.22Å; P24-R27 PolarHBondContact O-N 2.88Å
25	F	42.6	Very low	41.8	Very low	34 Å²	34	95.2 Å²	95.2	15%	0.149	44%	0.439	C	S	.	.	H	α-helix	trans	-51.2	-26.9	-173.2	-171.1	-91.2	0	0	0	113.8	L17 I23 R27 L28 F29 W38 T66 I70	L17-F25 HydrophobicContact CD1-CE2 4.44Å; L17-F25 HydrophobicContact CD2-CD2 3.56Å; L17-F25 HydrophobicContact CD2-CE2 3.41Å; L17-F25 VanDerWaalsContact CD2-CE2 3.41Å; I23-F25 PolarHBondContact O-N 2.76Å; F25-R27 VanDerWaalsContact C-N 3.27Å; F25-R27 PolarHBondContact O-N 3.37Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 3.22Å; F25-F29 HydrophobicContact CD1-CD2 4.47Å; F25-F29 AromaticContact CE1-CD2 3.73Å; F25-F29 HydrophobicContact CE1-CD2 3.73Å; F25-F29 HydrophobicContact CE1-CE2 4.44Å; F25-F29 HydrophobicContact CZ-CD2 4.42Å; F25-F29 PolarHBondContact O-N 2.89Å; F25-W38 HydrophobicContact CZ-CZ2 4.18Å; F25-T66 HydrophobicContact CB-CG2 3.69Å; F25-T66 HydrophobicContact CD1-CG2 3.5Å; F25-T66 HydrophobicContact CD2-CG2 3.69Å; F25-T66 HydrophobicContact CE1-CG2 3.94Å; F25-T66 HydrophobicContact CE2-CG2 4.09Å; F25-T66 HydrophobicContact CG-CG2 3.36Å; F25-T66 HydrophobicContact CZ-CG2 4.22Å; F25-I70 HydrophobicContact CD2-CD1 4.05Å; F25-I70 HydrophobicContact CE2-CD1 4.07Å; F25-I70 HydrophobicContact CE2-CG1 4.11Å
26	E	38.9	Very low	41.4	Very low	86 Å²	86	96.6 Å²	96.6	40%	0.402	44%	0.442	S	S	.	.	H	α-helix	trans	-53.9	-42.2	170.9	-66.3	-172	159.9	0	0	111.8	P24 L28 F29 Y30	P24-E26 PolarHBondContact O-N 3.13Å; E26-L28 PolarHBondContact O-N 3.25Å; E26-F29 PolarHBondContact O-N 2.81Å; E26-Y30 WeakPolarHBondContact O-CD2 3.5Å; E26-Y30 PolarHBondContact O-N 3.36Å; E26-Y30 VanDerWaalsContact O-N 3.16Å
27	R	40.1	Very low	41.2	Very low	188 Å²	188	94.4 Å²	94.4	71%	0.709	43%	0.433	S	S	*	.	H	α-helix	trans	-67.2	-31.8	175.3	-103.1	-178.8	173.6	177	-1.8	113.2	I23 P24 F25 N31	I23-R27 HydrophobicContact CG2-CB 3.67Å; P24-R27 WeakPolarHBondContact O-CB 3.22Å; P24-R27 PolarHBondContact O-N 2.88Å; F25-R27 VanDerWaalsContact C-N 3.27Å; F25-R27 PolarHBondContact O-N 3.37Å; R27-N31 PolarHBondContact O-N 3.26Å
28	L	42.4	Very low	41	Very low	11 Å²	11	94.6 Å²	94.6	6%	0.058	43%	0.431	C	S	.	.	H	α-helix	trans	-71.4	-39.7	172.1	-84.8	104.2	0	0	0	112.2	F16 L17 S20 I23 F25 E26 Y30 N31 C34	F16-L28 HydrophobicContact CD1-CD2 3.57Å; F16-L28 HydrophobicContact CE1-CD2 4.18Å; L17-L28 HydrophobicContact CD2-CD2 4.06Å; S20-L28 VanDerWaalsContact OG-CD1 3.32Å; S20-L28 WeakPolarHBondContact OG-CD1 3.37Å; I23-L28 HydrophobicContact CB-CD1 4.36Å; I23-L28 HydrophobicContact CG2-CD1 4.22Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 3.22Å; E26-L28 PolarHBondContact O-N 3.25Å; L28-Y30 PolarHBondContact O-N 3.19Å; L28-N31 PolarHBondContact O-N 3.09Å; L28-N31 VanDerWaalsContact O-N 3.1Å; L28-C34 WeakPolarHBondContact O-CB 3.47Å
29	F	43.2	Very low	40.6	Very low	53 Å²	53	98.6 Å²	98.6	23%	0.232	45%	0.447	C	S	.	.	H	α-helix	trans	-65.3	-30.6	-178.7	-149.6	-93.4	0	0	0	111.9	F25 E26 F35 W38	F25-F29 HydrophobicContact CD1-CD2 4.47Å; F25-F29 AromaticContact CE1-CD2 3.73Å; F25-F29 HydrophobicContact CE1-CD2 3.73Å; F25-F29 HydrophobicContact CE1-CE2 4.44Å; F25-F29 HydrophobicContact CZ-CD2 4.42Å; F25-F29 PolarHBondContact O-N 2.89Å; E26-F29 PolarHBondContact O-N 2.81Å; F29-F35 HydrophobicContact CD1-CD2 4.16Å; F29-F35 AromaticContact CE1-CD2 3.96Å; F29-F35 HydrophobicContact CE1-CD2 3.96Å; F29-F35 HydrophobicContact CE1-CE2 4.07Å; F29-F35 WeakPolarHBondContact O-CB 3.38Å; F29-W38 HydrophobicContact CE2-CB 4.35Å; F29-W38 AromaticContact CE2-CD1 3.86Å; F29-W38 HydrophobicContact CE2-CD2 4.19Å; F29-W38 AromaticContact CE2-CG 3.91Å; F29-W38 HydrophobicContact CE2-CG 3.91Å; F29-W38 HydrophobicContact CZ-CB 4.4Å; F29-W38 HydrophobicContact CZ-CG 4.44Å
30	Y	39.8	Very low	40.7	Very low	196 Å²	196	92.9 Å²	92.9	77%	0.769	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.9	173.8	-76.2	-70.5	0	0	0	114.7	E26 L28 T32	E26-Y30 WeakPolarHBondContact O-CD2 3.5Å; E26-Y30 PolarHBondContact O-N 3.36Å; E26-Y30 VanDerWaalsContact O-N 3.16Å; L28-Y30 PolarHBondContact O-N 3.19Å; Y30-T32 PolarHBondContact O-N 3.31Å
31	N	39	Very low	40.9	Very low	85 Å²	85	94 Å²	94	46%	0.455	45%	0.45	S	S	.	.	S	Bend	trans	-75.9	115.5	171.5	-158.6	-36.8	0	0	0	108.4	R27 L28 K33 C34 F35	R27-N31 PolarHBondContact O-N 3.26Å; L28-N31 PolarHBondContact O-N 3.09Å; L28-N31 VanDerWaalsContact O-N 3.1Å; N31-K33 PolarHBondContact O-N 3.26Å; N31-C34 PolarHBondContact O-N 3.35Å; N31-F35 PolarHBondContact O-N 2.87Å; N31-F35 VanDerWaalsContact O-N 3.17Å
32	T	37.2	Very low	40.8	Very low	101 Å²	101	93.5 Å²	93.5	62%	0.62	46%	0.464	S	S	*	.	H	α-helix	trans	-49.5	-29.5	-168.9	25.2	0	0	0	0	114.3	Y30 N36	Y30-T32 PolarHBondContact O-N 3.31Å; T32-N36 WeakPolarHBondContact O-CB 3.19Å; T32-N36 PolarHBondContact O-N 3.13Å; T32-N36 PolarHBondContact O-ND2 2.93Å
33	K	39	Very low	41	Very low	183 Å²	183	92.1 Å²	92.1	80%	0.796	46%	0.463	S	S	*	.	H	α-helix	trans	-70.4	-39.2	176.7	-70.4	-175.6	178.1	179.1	0	113.4	N31	N31-K33 PolarHBondContact O-N 3.26Å
34	C	40.3	Very low	41.1	Very low	23 Å²	23	89.5 Å²	89.5	16%	0.155	45%	0.45	C	S	.	.	H	α-helix	trans	-75.5	-41.2	175.3	-87	0	0	0	0	111.2	L28 N31 N36 F37 W38	L28-C34 WeakPolarHBondContact O-CB 3.47Å; N31-C34 PolarHBondContact O-N 3.35Å; C34-N36 PolarHBondContact O-N 3.28Å; C34-F37 WeakPolarHBondContact O-CB 3.4Å; C34-F37 PolarHBondContact O-N 3.3Å; C34-F37 VanDerWaalsContact O-N 3.16Å; C34-W38 PolarHBondContact O-N 3.46Å
35	F	41.7	Very low	41	Very low	91 Å²	91	88.9 Å²	88.9	40%	0.399	45%	0.445	S	S	.	.	H	α-helix	trans	-58.2	-44.7	178.5	-171.6	-99	0	0	0	112.7	F29 N31 F37 W38 K39	F29-F35 HydrophobicContact CD1-CD2 4.16Å; F29-F35 AromaticContact CE1-CD2 3.96Å; F29-F35 HydrophobicContact CE1-CD2 3.96Å; F29-F35 HydrophobicContact CE1-CE2 4.07Å; F29-F35 WeakPolarHBondContact O-CB 3.38Å; N31-F35 PolarHBondContact O-N 2.87Å; N31-F35 VanDerWaalsContact O-N 3.17Å; F35-F37 VanDerWaalsContact C-N 3.31Å; F35-F37 PolarHBondContact O-N 3.17Å; F35-W38 CarbonylContact O-C 3.46Å; F35-W38 PolarHBondContact O-N 2.96Å; F35-K39 HydrophobicContact CE1-CD 4.38Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 2.81Å
36	N	42	Very low	40.8	Very low	88 Å²	88	96.4 Å²	96.4	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-32	178.4	-78	-22.2	0	0	0	112.9	T32 C34 K39 S40	T32-N36 WeakPolarHBondContact O-CB 3.19Å; T32-N36 PolarHBondContact O-N 3.13Å; T32-N36 PolarHBondContact O-ND2 2.93Å; C34-N36 PolarHBondContact O-N 3.28Å; N36-K39 PolarHBondContact O-N 3.49Å; N36-S40 PolarHBondContact O-N 3.47Å; N36-S40 PolarHBondContact O-OG 2.88Å
37	F	46	Very low	40.7	Very low	66 Å²	66	98.6 Å²	98.6	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-47.4	171	-177.4	-89	0	0	0	111.3	R9 I13 C34 F35 K39 S40 A41	R9-F37 HydrophobicContact CB-CE2 3.84Å; R9-F37 HydrophobicContact CB-CZ 4.39Å; R9-F37 HydrophobicContact CG-CE2 4.19Å; I13-F37 HydrophobicContact CD1-CD1 3.32Å; I13-F37 HydrophobicContact CD1-CD2 3.86Å; I13-F37 HydrophobicContact CD1-CE1 3.01Å; I13-F37 HydrophobicContact CD1-CE2 3.59Å; I13-F37 HydrophobicContact CD1-CG 3.74Å; I13-F37 HydrophobicContact CD1-CZ 3.15Å; I13-F37 HydrophobicContact CG1-CD1 4.41Å; I13-F37 HydrophobicContact CG1-CE1 4.41Å; C34-F37 WeakPolarHBondContact O-CB 3.4Å; C34-F37 PolarHBondContact O-N 3.3Å; C34-F37 VanDerWaalsContact O-N 3.16Å; F35-F37 VanDerWaalsContact C-N 3.31Å; F35-F37 PolarHBondContact O-N 3.17Å; F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.45Å; F37-S40 PolarHBondContact O-N 2.87Å; F37-A41 PolarHBondContact O-N 2.95Å
38	W	45.4	Very low	40.6	Very low	28 Å²	28	93.5 Å²	93.5	11%	0.106	49%	0.49	C	S	.	.	H	α-helix	trans	-67	-28.1	177.2	-74.1	107.4	0	0	0	113.3	F25 F29 C34 F35 S40 T44 R69 I73	F25-W38 HydrophobicContact CZ-CZ2 4.18Å; F29-W38 HydrophobicContact CE2-CB 4.35Å; F29-W38 AromaticContact CE2-CD1 3.86Å; F29-W38 HydrophobicContact CE2-CD2 4.19Å; F29-W38 AromaticContact CE2-CG 3.91Å; F29-W38 HydrophobicContact CE2-CG 3.91Å; F29-W38 HydrophobicContact CZ-CB 4.4Å; F29-W38 HydrophobicContact CZ-CG 4.44Å; C34-W38 PolarHBondContact O-N 3.46Å; F35-W38 CarbonylContact O-C 3.46Å; F35-W38 PolarHBondContact O-N 2.96Å; W38-S40 VanDerWaalsContact C-N 3.31Å; W38-T44 HydrophobicContact CE3-CG2 3.79Å; W38-T44 HydrophobicContact CZ3-CG2 4.01Å; W38-T44 WeakPolarHBondContact O-CB 3.4Å; W38-T44 PolarHBondContact O-OG1 3.18Å; W38-R69 HydrophobicContact CH2-CB 4.16Å; W38-I73 HydrophobicContact CH2-CD1 3.37Å; W38-I73 HydrophobicContact CH2-CG1 4.29Å; W38-I73 HydrophobicContact CZ2-CD1 3.47Å; W38-I73 VanDerWaalsContact CZ2-CD1 3.47Å; W38-I73 HydrophobicContact CZ3-CD1 4.5Å
39	K	41.7	Very low	40.2	Very low	128 Å²	128	104.6 Å²	104.6	56%	0.557	53%	0.531	S	S	*	.	H	α-helix	trans	-71.5	-27.1	174.5	-158.3	-176.6	-177.4	-173.1	0	112.7	F35 N36 F37 T45	F35-K39 HydrophobicContact CE1-CD 4.38Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 2.81Å; N36-K39 PolarHBondContact O-N 3.49Å; F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.45Å; K39-T45 HydrophobicContact CB-CG2 4.32Å; K39-T45 HydrophobicContact CG-CG2 3.78Å; K39-T45 WeakPolarHBondContact O-CG2 3.43Å
40	S	41.3	Very low	40	Very low	96 Å²	96	106.8 Å²	106.8	67%	0.671	55%	0.553	S	S	*	*	H	α-helix	trans	-88.6	-12.1	-176.8	-52.7	0	0	0	0	113.6	N36 F37 W38	N36-S40 PolarHBondContact O-N 3.47Å; N36-S40 PolarHBondContact O-OG 2.88Å; F37-S40 PolarHBondContact O-N 2.87Å; W38-S40 VanDerWaalsContact C-N 3.31Å
41	A	41.3	Very low	39.7	Very low	33 Å²	33	101.9 Å²	101.9	27%	0.273	54%	0.537	S	S	.	.	S	Bend	trans	-77.1	125	172.4	0	0	0	0	0	109.4	F37 N43 T44	F37-A41 PolarHBondContact O-N 2.95Å; A41-N43 PolarHBondContact O-N 3.39Å; A41-T44 VanDerWaalsContact CB-OG1 3.23Å; A41-T44 WeakPolarHBondContact CB-OG1 3.47Å; A41-T44 PolarHBondContact O-N 3.18Å; A41-T44 PolarHBondContact O-OG1 3.05Å
42	P	39.3	Very low	39.5	Very low	124 Å²	124	103.8 Å²	103.8	81%	0.805	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-7.7	-166	19.2	-30.4	0	0	0	115.7
43	N	41.3	Very low	39.4	Very low	155 Å²	155	102.9 Å²	102.9	83%	0.829	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	4	-177.7	-73.6	-9.6	0	0	0	114.7	A41	A41-N43 PolarHBondContact O-N 3.39Å
44	T	39	Very low	39.3	Very low	25 Å²	25	97.4 Å²	97.4	15%	0.153	54%	0.54	C	S	.	.	S	Bend	trans	-106.5	-10.1	-166.6	28.8	0	0	0	0	115.8	W38 A41	W38-T44 HydrophobicContact CE3-CG2 3.79Å; W38-T44 HydrophobicContact CZ3-CG2 4.01Å; W38-T44 WeakPolarHBondContact O-CB 3.4Å; W38-T44 PolarHBondContact O-OG1 3.18Å; A41-T44 VanDerWaalsContact CB-OG1 3.23Å; A41-T44 WeakPolarHBondContact CB-OG1 3.47Å; A41-T44 PolarHBondContact O-N 3.18Å; A41-T44 PolarHBondContact O-OG1 3.05Å
45	T	38.8	Very low	39.3	Very low	72 Å²	72	103 Å²	103	44%	0.442	57%	0.568	S	S	.	*	S	Bend	trans	-95.3	-16	-176.4	50.5	0	0	0	0	114.8	K39 N47	K39-T45 HydrophobicContact CB-CG2 4.32Å; K39-T45 HydrophobicContact CG-CG2 3.78Å; K39-T45 WeakPolarHBondContact O-CG2 3.43Å; T45-N47 VanDerWaalsContact C-N 3.32Å; T45-N47 PolarHBondContact O-N 3.41Å
46	K	38.4	Very low	39.2	Very low	193 Å²	193	109.4 Å²	109.4	84%	0.839	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-25.2	179.8	-87.9	-174.1	174.6	-179.2	0	114.2
47	N	37.9	Very low	38.9	Very low	132 Å²	132	108.5 Å²	108.5	71%	0.706	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-6.7	-176	-71	0.9	0	0	0	115	T45	T45-N47 VanDerWaalsContact C-N 3.32Å; T45-N47 PolarHBondContact O-N 3.41Å
48	A	37.4	Very low	38.3	Very low	80 Å²	80	108.3 Å²	108.3	66%	0.661	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-14.2	-176	0	0	0	0	0	113.8
49	R	34.3	Very low	37.8	Very low	244 Å²	244	113 Å²	113	92%	0.921	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-2.1	-174.7	-105.4	-179.7	177.3	-179.6	-3	115.6
50	S	40	Very low	37.7	Very low	100 Å²	100	114.7 Å²	114.7	70%	0.699	62%	0.617	S	S	*	*	S	Bend	trans	-110.4	7.5	-167.1	-151.6	0	0	0	0	116.5
51	Q	33.6	Very low	37.2	Very low	93 Å²	93	116.3 Å²	116.3	44%	0.435	61%	0.608	S	S	.	*			trans	-134.3	72.1	-179.2	-63.6	-152	-78.5	0	0	113	S53 I58	Q51-S53 VanDerWaalsContact C-N 3.29Å; Q51-S53 PolarHBondContact O-N 3.16Å; Q51-I58 VanDerWaalsContact O-CD1 3.27Å; Q51-I58 WeakPolarHBondContact O-CD1 3.23Å
52	S	34.5	Very low	36.9	Very low	124 Å²	124	116 Å²	116	87%	0.867	61%	0.606	S	S	*	*			trans	-88.5	52.4	165.5	62.3	0	0	0	0	111.5
53	S	33.8	Very low	36.8	Very low	83 Å²	83	112.6 Å²	112.6	58%	0.58	59%	0.588	S	S	*	*	S	Bend	trans	-155.3	117.4	172.1	51	0	0	0	0	111.7	Q51	Q51-S53 VanDerWaalsContact C-N 3.29Å; Q51-S53 PolarHBondContact O-N 3.16Å
54	S	38.4	Very low	36.7	Very low	68 Å²	68	110.7 Å²	110.7	48%	0.476	58%	0.578	S	S	.	*			trans	78.1	95.6	175.1	77.4	0	0	0	0	117.7	R56 T57 I58	S54-R56 PolarHBondContact O-N 3.19Å; S54-T57 PolarHBondContact O-N 3.41Å; S54-T57 VanDerWaalsContact O-N 3.17Å; S54-T57 WeakPolarHBondContact OG-CB 3.38Å; S54-T57 PolarHBondContact OG-OG1 2.73Å; S54-I58 WeakPolarHBondContact O-CG1 3.35Å; S54-I58 PolarHBondContact O-N 2.85Å
55	N	38.6	Very low	36.7	Very low	140 Å²	140	113.4 Å²	113.4	75%	0.749	59%	0.59	S	S	*	*	H	α-helix	trans	-50.9	-20.6	171.4	-90.4	-19.7	0	0	0	115.1	K59	N55-K59 WeakPolarHBondContact O-CG 3.32Å
56	R	39.6	Very low	37.2	Very low	225 Å²	225	111.1 Å²	111.1	85%	0.849	58%	0.576	S	S	*	*	H	α-helix	trans	-84	-37.2	-179.4	-147.4	175.8	-166.2	-179.6	3.9	112.9	S54	S54-R56 PolarHBondContact O-N 3.19Å
57	T	36.7	Very low	37.6	Very low	69 Å²	69	106.8 Å²	106.8	42%	0.423	56%	0.562	S	S	.	*	H	α-helix	trans	-79	-34.2	179.6	-38.1	0	0	0	0	111.2	S54 K59 K60 R61	S54-T57 PolarHBondContact O-N 3.41Å; S54-T57 VanDerWaalsContact O-N 3.17Å; S54-T57 WeakPolarHBondContact OG-CB 3.38Å; S54-T57 PolarHBondContact OG-OG1 2.73Å; T57-K59 VanDerWaalsContact C-N 3.35Å; T57-K60 PolarHBondContact O-N 2.62Å; T57-R61 WeakPolarHBondContact O-CB 3.17Å; T57-R61 PolarHBondContact O-N 2.86Å
58	I	34.2	Very low	38.1	Very low	62 Å²	62	105.1 Å²	105.1	32%	0.318	56%	0.557	S	S	.	*	H	α-helix	trans	-64.4	-38.7	175	-64	166.3	0	0	0	110.7	Q51 S54 R61 A62	Q51-I58 VanDerWaalsContact O-CD1 3.27Å; Q51-I58 WeakPolarHBondContact O-CD1 3.23Å; S54-I58 WeakPolarHBondContact O-CG1 3.35Å; S54-I58 PolarHBondContact O-N 2.85Å; I58-R61 PolarHBondContact O-N 3.41Å; I58-A62 WeakPolarHBondContact O-CA 3.45Å; I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.18Å
59	K	35	Very low	38.9	Very low	126 Å²	126	104.2 Å²	104.2	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-43.6	175.4	-78.9	-177.3	173.6	-172.7	0	113.4	N55 T57 A62 A63	N55-K59 WeakPolarHBondContact O-CG 3.32Å; T57-K59 VanDerWaalsContact C-N 3.35Å; K59-A62 PolarHBondContact O-N 3.4Å; K59-A63 WeakPolarHBondContact O-CB 3.48Å; K59-A63 PolarHBondContact O-N 3.11Å
60	K	37.6	Very low	39.8	Very low	164 Å²	164	94.3 Å²	94.3	71%	0.713	50%	0.501	S	S	*	.	H	α-helix	trans	-67	-40.9	174.9	-101	-175.7	175.3	-177.4	0	112.3	T57 N64	T57-K60 PolarHBondContact O-N 2.62Å; K60-N64 PolarHBondContact O-N 3.09Å; K60-N64 VanDerWaalsContact O-N 3.07Å
61	R	32.4	Very low	40.5	Very low	130 Å²	130	94.4 Å²	94.4	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-68.3	-36.5	174.7	-77.8	-175.9	-179.3	-169.8	-0.8	112.2	T57 I58 M65	T57-R61 WeakPolarHBondContact O-CB 3.17Å; T57-R61 PolarHBondContact O-N 2.86Å; I58-R61 PolarHBondContact O-N 3.41Å; R61-M65 WeakPolarHBondContact O-CB 3.32Å; R61-M65 WeakPolarHBondContact O-CG 3.47Å; R61-M65 PolarHBondContact O-N 3.25Å
62	A	33.7	Very low	41.6	Very low	27 Å²	27	92.3 Å²	92.3	22%	0.223	49%	0.491	C	S	.	.	H	α-helix	trans	-64.7	-48.1	174.3	0	0	0	0	0	110	I58 K59 N64 M65 T66	I58-A62 WeakPolarHBondContact O-CA 3.45Å; I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.18Å; K59-A62 PolarHBondContact O-N 3.4Å; A62-N64 PolarHBondContact O-N 2.92Å; A62-M65 PolarHBondContact O-N 2.64Å; A62-T66 WeakPolarHBondContact O-CB 3.46Å; A62-T66 PolarHBondContact O-N 2.96Å; A62-T66 PolarHBondContact O-OG1 3.42Å
63	A	38.1	Very low	42.7	Very low	52 Å²	52	87.6 Å²	87.6	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-56.8	-49.9	175.9	0	0	0	0	0	112.2	K59 T66 D67	K59-A63 WeakPolarHBondContact O-CB 3.48Å; K59-A63 PolarHBondContact O-N 3.11Å; A63-T66 WeakPolarHBondContact O-CB 3.47Å; A63-T66 PolarHBondContact O-N 2.91Å; A63-D67 PolarHBondContact O-N 2.7Å; A63-D67 VanDerWaalsContact O-N 3.15Å
64	N	38.8	Very low	43.7	Very low	115 Å²	115	86.6 Å²	86.6	62%	0.615	44%	0.441	S	S	*	.	H	α-helix	trans	-67.8	-39	178.8	-75.9	-4.6	0	0	0	113	K60 A62 T66 D67 T68	K60-N64 PolarHBondContact O-N 3.09Å; K60-N64 VanDerWaalsContact O-N 3.07Å; A62-N64 PolarHBondContact O-N 2.92Å; N64-T66 VanDerWaalsContact C-N 3.27Å; N64-T66 PolarHBondContact O-N 3.43Å; N64-D67 PolarHBondContact O-N 3.47Å; N64-T68 PolarHBondContact O-N 3.43Å; N64-T68 PolarHBondContact O-OG1 2.59Å
65	M	40.2	Very low	44.7	Very low	83 Å²	83	87 Å²	87	41%	0.409	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-31.6	173.1	-84.1	177.6	51.6	0	0	112.1	R61 A62 R69	R61-M65 WeakPolarHBondContact O-CB 3.32Å; R61-M65 WeakPolarHBondContact O-CG 3.47Å; R61-M65 PolarHBondContact O-N 3.25Å; A62-M65 PolarHBondContact O-N 2.64Å; M65-R69 VanDerWaalsContact CE-CZ 3.46Å; M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 WeakPolarHBondContact O-CG 3.28Å; M65-R69 PolarHBondContact O-N 2.79Å
66	T	49.1	Very low	45.7	Very low	24 Å²	24	84 Å²	84	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-66.7	-43.8	179.9	-60.3	0	0	0	0	109.5	F25 A62 A63 N64 I70	F25-T66 HydrophobicContact CB-CG2 3.69Å; F25-T66 HydrophobicContact CD1-CG2 3.5Å; F25-T66 HydrophobicContact CD2-CG2 3.69Å; F25-T66 HydrophobicContact CE1-CG2 3.94Å; F25-T66 HydrophobicContact CE2-CG2 4.09Å; F25-T66 HydrophobicContact CG-CG2 3.36Å; F25-T66 HydrophobicContact CZ-CG2 4.22Å; A62-T66 WeakPolarHBondContact O-CB 3.46Å; A62-T66 PolarHBondContact O-N 2.96Å; A62-T66 PolarHBondContact O-OG1 3.42Å; A63-T66 WeakPolarHBondContact O-CB 3.47Å; A63-T66 PolarHBondContact O-N 2.91Å; N64-T66 VanDerWaalsContact C-N 3.27Å; N64-T66 PolarHBondContact O-N 3.43Å; T66-I70 HydrophobicContact CG2-CD1 3.52Å; T66-I70 HydrophobicContact CG2-CG1 4.26Å; T66-I70 VanDerWaalsContact O-CB 3.23Å; T66-I70 WeakPolarHBondContact O-CB 3.4Å; T66-I70 WeakPolarHBondContact O-CD1 3.47Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.19Å
67	D	46.5	Very low	46.5	Very low	101 Å²	101	73.5 Å²	73.5	54%	0.54	39%	0.385	S	S	.	.	H	α-helix	trans	-66.4	-48.6	177	-79.6	-33.7	0	0	0	112.5	A63 N64 R69 I70 I71	A63-D67 PolarHBondContact O-N 2.7Å; A63-D67 VanDerWaalsContact O-N 3.15Å; N64-D67 PolarHBondContact O-N 3.47Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 PolarHBondContact O-N 3.29Å; D67-I70 PolarHBondContact O-N 3.24Å; D67-I71 WeakPolarHBondContact O-CB 3.16Å; D67-I71 WeakPolarHBondContact O-CD1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.1Å; D67-I71 PolarHBondContact O-N 3.46Å
68	T	48.8	Very low	47.5	Very low	97 Å²	97	72.5 Å²	72.5	60%	0.595	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-37.3	-179.9	-27.3	0	0	0	0	111.8	N64 A72	N64-T68 PolarHBondContact O-N 3.43Å; N64-T68 PolarHBondContact O-OG1 2.59Å; T68-A72 WeakPolarHBondContact O-CB 3.22Å; T68-A72 PolarHBondContact O-N 3.05Å
69	R	52.9	Low	48.6	Very low	61 Å²	61	74.7 Å²	74.7	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-73	-38.3	178.1	-74.1	177	158.9	-172.1	-4.6	112.4	W38 M65 D67 I71 A72 I73	W38-R69 HydrophobicContact CH2-CB 4.16Å; M65-R69 VanDerWaalsContact CE-CZ 3.46Å; M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 WeakPolarHBondContact O-CG 3.28Å; M65-R69 PolarHBondContact O-N 2.79Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 PolarHBondContact O-N 3.29Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-A72 PolarHBondContact O-N 3.3Å; R69-I73 VanDerWaalsContact O-CG1 3.28Å; R69-I73 WeakPolarHBondContact O-CG1 3.41Å; R69-I73 PolarHBondContact O-N 3.28Å
70	I	52.7	Low	49.4	Very low	37 Å²	37	69.3 Å²	69.3	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-65.3	-41.5	173.9	-72.5	171.6	0	0	0	110.2	F25 T66 D67 I73 K74	F25-I70 HydrophobicContact CD2-CD1 4.05Å; F25-I70 HydrophobicContact CE2-CD1 4.07Å; F25-I70 HydrophobicContact CE2-CG1 4.11Å; T66-I70 HydrophobicContact CG2-CD1 3.52Å; T66-I70 HydrophobicContact CG2-CG1 4.26Å; T66-I70 VanDerWaalsContact O-CB 3.23Å; T66-I70 WeakPolarHBondContact O-CB 3.4Å; T66-I70 WeakPolarHBondContact O-CD1 3.47Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.19Å; D67-I70 PolarHBondContact O-N 3.24Å; I70-I73 PolarHBondContact O-N 3.35Å; I70-K74 HydrophobicContact CG2-CD 4.38Å; I70-K74 WeakPolarHBondContact O-CB 3.41Å; I70-K74 WeakPolarHBondContact O-CG 3.12Å; I70-K74 PolarHBondContact O-N 2.89Å
71	I	56.4	Low	50.1	Low	102 Å²	102	61.5 Å²	61.5	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-50.3	173.9	-68.2	163.5	0	0	0	109.5	D67 R69 I73 K74 T75	D67-I71 WeakPolarHBondContact O-CB 3.16Å; D67-I71 WeakPolarHBondContact O-CD1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.1Å; D67-I71 PolarHBondContact O-N 3.46Å; R69-I71 VanDerWaalsContact C-N 3.34Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 3.16Å; I71-K74 PolarHBondContact O-N 3.11Å; I71-K74 VanDerWaalsContact O-N 3.11Å; I71-T75 PolarHBondContact O-N 3.47Å; I71-T75 PolarHBondContact O-OG1 3.35Å
72	A	56.5	Low	51.3	Low	48 Å²	48	63 Å²	63	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-35.9	179	0	0	0	0	0	113.6	T68 R69 N76	T68-A72 WeakPolarHBondContact O-CB 3.22Å; T68-A72 PolarHBondContact O-N 3.05Å; R69-A72 PolarHBondContact O-N 3.3Å; A72-N76 WeakPolarHBondContact O-CB 3.18Å; A72-N76 PolarHBondContact O-N 2.94Å; A72-N76 PolarHBondContact O-ND2 3.1Å
73	I	57.7	Low	52.5	Low	25 Å²	25	67.3 Å²	67.3	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-47.3	173.5	-70.8	168.8	0	0	0	110.5	I10 L14 W38 R69 I70 I71 T75 N76 Y77	I10-I73 HydrophobicContact CG2-CG2 4.07Å; L14-I73 HydrophobicContact CD1-CG2 4.36Å; L14-I73 HydrophobicContact CD2-CG2 3.82Å; L14-I73 HydrophobicContact CG-CG2 3.93Å; W38-I73 HydrophobicContact CH2-CD1 3.37Å; W38-I73 HydrophobicContact CH2-CG1 4.29Å; W38-I73 HydrophobicContact CZ2-CD1 3.47Å; W38-I73 VanDerWaalsContact CZ2-CD1 3.47Å; W38-I73 HydrophobicContact CZ3-CD1 4.5Å; R69-I73 VanDerWaalsContact O-CG1 3.28Å; R69-I73 WeakPolarHBondContact O-CG1 3.41Å; R69-I73 PolarHBondContact O-N 3.28Å; I70-I73 PolarHBondContact O-N 3.35Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 3.16Å; I73-T75 VanDerWaalsContact C-N 3.34Å; I73-T75 PolarHBondContact O-N 3.27Å; I73-N76 PolarHBondContact O-N 2.88Å; I73-Y77 WeakPolarHBondContact O-CB 3.37Å; I73-Y77 PolarHBondContact O-N 2.81Å
74	K	54.8	Low	53.3	Low	63 Å²	63	68.7 Å²	68.7	27%	0.274	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-44.9	177.6	-79.4	-175.3	173.1	-171.2	0	111.3	L14 I70 I71 Y77 I78	L14-K74 HydrophobicContact CD2-CG 3.86Å; I70-K74 HydrophobicContact CG2-CD 4.38Å; I70-K74 WeakPolarHBondContact O-CB 3.41Å; I70-K74 WeakPolarHBondContact O-CG 3.12Å; I70-K74 PolarHBondContact O-N 2.89Å; I71-K74 PolarHBondContact O-N 3.11Å; I71-K74 VanDerWaalsContact O-N 3.11Å; K74-Y77 PolarHBondContact O-N 3.39Å; K74-I78 WeakPolarHBondContact O-CB 3.14Å; K74-I78 WeakPolarHBondContact O-CD1 3.08Å; K74-I78 WeakPolarHBondContact O-CG1 3.17Å; K74-I78 PolarHBondContact O-N 3.17Å
75	T	59.2	Low	53.9	Low	76 Å²	76	65.4 Å²	65.4	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-46.1	178.7	-50.8	0	0	0	0	111.4	I71 I73 Y77 I78 Q79	I71-T75 PolarHBondContact O-N 3.47Å; I71-T75 PolarHBondContact O-OG1 3.35Å; I73-T75 VanDerWaalsContact C-N 3.34Å; I73-T75 PolarHBondContact O-N 3.27Å; T75-Y77 VanDerWaalsContact C-N 3.35Å; T75-Y77 PolarHBondContact O-N 3.03Å; T75-I78 PolarHBondContact O-N 2.8Å; T75-Q79 WeakPolarHBondContact O-CB 3.46Å; T75-Q79 PolarHBondContact O-N 3.05Å
76	N	59.9	Low	54.2	Low	78 Å²	78	63.3 Å²	63.3	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-39.5	175.4	-90.7	-69	0	0	0	112.7	A72 I73 Q79 L80	A72-N76 WeakPolarHBondContact O-CB 3.18Å; A72-N76 PolarHBondContact O-N 2.94Å; A72-N76 PolarHBondContact O-ND2 3.1Å; I73-N76 PolarHBondContact O-N 2.88Å; N76-Q79 PolarHBondContact O-N 3.29Å; N76-L80 WeakPolarHBondContact O-CB 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.16Å; N76-L80 PolarHBondContact O-N 3.02Å
77	Y	56.5	Low	54	Low	4 Å²	4	65.9 Å²	65.9	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-47.3	175.4	-178.8	-105.2	0	0	0	111.3	Y7 I10 L14 I73 K74 T75 Q79 L80 S81 I88 I97 R99	Y7-Y77 HydrophobicContact CD2-CD2 4.06Å; Y7-Y77 HydrophobicContact CD2-CE2 4.09Å; Y7-Y77 HydrophobicContact CE1-CE2 4.49Å; Y7-Y77 AromaticContact CE2-CD2 3.56Å; Y7-Y77 HydrophobicContact CE2-CD2 3.56Å; Y7-Y77 AromaticContact CE2-CE2 3.35Å; Y7-Y77 HydrophobicContact CE2-CE2 3.35Å; Y7-Y77 HydrophobicContact CE2-CG 4.42Å; Y7-Y77 AromaticContact CZ-CE2 3.61Å; Y7-Y77 PolarHBondContact OH-OH 3.17Å; I10-Y77 HydrophobicContact CB-CD2 4.38Å; I10-Y77 HydrophobicContact CG2-CD2 3.67Å; I10-Y77 HydrophobicContact CG2-CG 4.09Å; L14-Y77 HydrophobicContact CD1-CD1 3.5Å; L14-Y77 VanDerWaalsContact CD1-CD1 3.5Å; L14-Y77 HydrophobicContact CD1-CD2 3.66Å; L14-Y77 HydrophobicContact CD1-CE1 4.19Å; L14-Y77 HydrophobicContact CD1-CE2 4.31Å; L14-Y77 HydrophobicContact CD1-CG 3.18Å; I73-Y77 WeakPolarHBondContact O-CB 3.37Å; I73-Y77 PolarHBondContact O-N 2.81Å; K74-Y77 PolarHBondContact O-N 3.39Å; T75-Y77 VanDerWaalsContact C-N 3.35Å; T75-Y77 PolarHBondContact O-N 3.03Å; Y77-Q79 VanDerWaalsContact C-N 3.27Å; Y77-Q79 PolarHBondContact O-N 3.38Å; Y77-L80 PolarHBondContact O-N 3.21Å; Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 3.4Å; Y77-S81 PolarHBondContact O-OG 3.34Å; Y77-S81 VanDerWaalsContact O-OG 3.09Å; Y77-I88 HydrophobicContact CD1-CD1 3.81Å; Y77-I88 HydrophobicContact CE1-CD1 3.7Å; Y77-I88 HydrophobicContact CE1-CG1 4.37Å; Y77-I97 HydrophobicContact CD1-CD1 4.36Å; Y77-I97 HydrophobicContact CE1-CD1 4.24Å; Y77-I97 HydrophobicContact CE1-CG2 3.68Å; Y77-R99 PolarHBondContact OH-NE 2.97Å
78	I	55.9	Low	54	Low	47 Å²	47	63.2 Å²	63.2	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-42.6	178.5	-69.4	162.6	0	0	0	110.9	K74 T75 S81 K82 I88	K74-I78 WeakPolarHBondContact O-CB 3.14Å; K74-I78 WeakPolarHBondContact O-CD1 3.08Å; K74-I78 WeakPolarHBondContact O-CG1 3.17Å; K74-I78 PolarHBondContact O-N 3.17Å; T75-I78 PolarHBondContact O-N 2.8Å; I78-S81 PolarHBondContact O-N 2.93Å; I78-K82 WeakPolarHBondContact O-CG 3.27Å; I78-K82 PolarHBondContact O-N 2.86Å; I78-K82 VanDerWaalsContact O-N 3.13Å; I78-I88 HydrophobicContact CB-CD1 4.18Å; I78-I88 HydrophobicContact CG1-CD1 3.83Å
79	Q	57.6	Low	53.8	Low	108 Å²	108	66.7 Å²	66.7	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-46.5	178.3	-169.2	166.1	-16.5	0	0	111.9	T75 N76 Y77 S81 K82 E83	T75-Q79 WeakPolarHBondContact O-CB 3.46Å; T75-Q79 PolarHBondContact O-N 3.05Å; N76-Q79 PolarHBondContact O-N 3.29Å; Y77-Q79 VanDerWaalsContact C-N 3.27Å; Y77-Q79 PolarHBondContact O-N 3.38Å; Q79-S81 PolarHBondContact O-N 3.22Å; Q79-K82 PolarHBondContact O-N 3.38Å; Q79-E83 PolarHBondContact O-N 2.94Å; Q79-E83 VanDerWaalsContact O-N 3.1Å
80	L	52.7	Low	53.3	Low	14 Å²	14	70.3 Å²	70.3	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-34.3	176.9	-76.4	163.3	0	0	0	113	Y7 I10 N76 Y77 K82 E83 H84	Y7-L80 HydrophobicContact CD2-CB 3.45Å; Y7-L80 VanDerWaalsContact CD2-CB 3.45Å; Y7-L80 HydrophobicContact CD2-CD1 4.38Å; Y7-L80 HydrophobicContact CD2-CG 4.49Å; Y7-L80 HydrophobicContact CE2-CB 3.96Å; Y7-L80 HydrophobicContact CG-CB 4.4Å; I10-L80 HydrophobicContact CD1-CD1 3.6Å; N76-L80 WeakPolarHBondContact O-CB 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.16Å; N76-L80 PolarHBondContact O-N 3.02Å; Y77-L80 PolarHBondContact O-N 3.21Å; L80-K82 VanDerWaalsContact C-N 3.35Å; L80-E83 PolarHBondContact O-N 2.87Å; L80-H84 WeakPolarHBondContact O-CB 3.35Å; L80-H84 PolarHBondContact O-CD2 2.78Å; L80-H84 VanDerWaalsContact O-CD2 3.28Å; L80-H84 PolarHBondContact O-N 3.33Å; L80-H84 VanDerWaalsContact O-N 3.08Å
81	S	52.9	Low	52.6	Low	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-43.4	173.6	-68.8	0	0	0	0	111.5	Y7 Y77 I78 Q79 E83 H84 G85 D86 I88	Y7-S81 VanDerWaalsContact CE2-OG 3.23Å; Y7-S81 WeakPolarHBondContact CE2-OG 3.46Å; Y7-S81 VanDerWaalsContact CZ-OG 3.29Å; Y7-S81 WeakPolarHBondContact OH-CB 3.23Å; Y7-S81 PolarHBondContact OH-OG 2.52Å; Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 3.4Å; Y77-S81 PolarHBondContact O-OG 3.34Å; Y77-S81 VanDerWaalsContact O-OG 3.09Å; I78-S81 PolarHBondContact O-N 2.93Å; Q79-S81 PolarHBondContact O-N 3.22Å; S81-E83 VanDerWaalsContact C-N 3.33Å; S81-E83 PolarHBondContact O-N 3.31Å; S81-H84 CarbonylContact O-C 3.46Å; S81-H84 PolarHBondContact O-N 2.98Å; S81-H84 VanDerWaalsContact O-N 3.11Å; S81-G85 PolarHBondContact O-N 2.54Å; S81-D86 PolarHBondContact O-N 3.45Å; S81-I88 WeakPolarHBondContact OG-CD1 3.44Å
82	K	57	Low	52	Low	162 Å²	162	73.4 Å²	73.4	70%	0.704	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-41.7	175.9	-72.6	177.3	178.1	-172.9	0	111.7	I78 Q79 L80 H84 G85	I78-K82 WeakPolarHBondContact O-CG 3.27Å; I78-K82 PolarHBondContact O-N 2.86Å; I78-K82 VanDerWaalsContact O-N 3.13Å; Q79-K82 PolarHBondContact O-N 3.38Å; L80-K82 VanDerWaalsContact C-N 3.35Å; K82-H84 PolarHBondContact O-N 2.92Å; K82-G85 PolarHBondContact O-N 2.9Å
83	E	58.6	Low	51.1	Low	117 Å²	117	80.4 Å²	80.4	55%	0.547	42%	0.419	S	S	.	.	H	α-helix	trans	-63.3	-27.5	175.2	-72.4	175.2	-165.6	0	0	113	Q79 L80 S81	Q79-E83 PolarHBondContact O-N 2.94Å; Q79-E83 VanDerWaalsContact O-N 3.1Å; L80-E83 PolarHBondContact O-N 2.87Å; S81-E83 VanDerWaalsContact C-N 3.33Å; S81-E83 PolarHBondContact O-N 3.31Å
84	H	55	Low	50.2	Low	81 Å²	81	83 Å²	83	38%	0.375	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.4	-179.3	-77.5	-60.5	0	0	0	114.5	L80 S81 K82 D86	L80-H84 WeakPolarHBondContact O-CB 3.35Å; L80-H84 PolarHBondContact O-CD2 2.78Å; L80-H84 VanDerWaalsContact O-CD2 3.28Å; L80-H84 PolarHBondContact O-N 3.33Å; L80-H84 VanDerWaalsContact O-N 3.08Å; S81-H84 CarbonylContact O-C 3.46Å; S81-H84 PolarHBondContact O-N 2.98Å; S81-H84 VanDerWaalsContact O-N 3.11Å; K82-H84 PolarHBondContact O-N 2.92Å; H84-D86 VanDerWaalsContact C-N 3.31Å
85	G	50.9	Low	49.5	Very low	45 Å²	45	86.4 Å²	86.4	46%	0.464	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	7.3	179.1	0	0	0	0	0	115.1	S81 K82 S87 L102	S81-G85 PolarHBondContact O-N 2.54Å; K82-G85 PolarHBondContact O-N 2.9Å; G85-S87 PolarHBondContact O-N 2.76Å; G85-L102 VanDerWaalsContact O-CD1 3.3Å; G85-L102 WeakPolarHBondContact O-CD1 3.36Å
86	D	47.4	Very low	48.4	Very low	40 Å²	40	89.4 Å²	89.4	21%	0.214	46%	0.458	C	S	.	.			trans	-75.8	120.6	177	-76.7	-20.9	0	0	0	110.2	Y7 S81 H84 I88	Y7-D86 VanDerWaalsContact CE1-OD2 3.25Å; Y7-D86 WeakPolarHBondContact CE1-OD2 3.44Å; Y7-D86 VanDerWaalsContact CZ-OD2 3.24Å; Y7-D86 PolarHBondContact OH-OD2 3.33Å; S81-D86 PolarHBondContact O-N 3.45Å; H84-D86 VanDerWaalsContact C-N 3.31Å; D86-I88 PolarHBondContact O-N 3.48Å
87	S	44.7	Very low	47.4	Very low	78 Å²	78	88.4 Å²	88.4	55%	0.545	45%	0.452	S	S	.	.			trans	-79	99.9	176	-172.4	0	0	0	0	110.7	G85	G85-S87 PolarHBondContact O-N 2.76Å
88	I	46.9	Very low	46.5	Very low	44 Å²	44	93.3 Å²	93.3	23%	0.226	48%	0.475	C	S	.	.			trans	-87.3	108.3	170.1	-61.2	168.5	0	0	0	109.1	Y77 I78 S81 D86 N90	Y77-I88 HydrophobicContact CD1-CD1 3.81Å; Y77-I88 HydrophobicContact CE1-CD1 3.7Å; Y77-I88 HydrophobicContact CE1-CG1 4.37Å; I78-I88 HydrophobicContact CB-CD1 4.18Å; I78-I88 HydrophobicContact CG1-CD1 3.83Å; S81-I88 WeakPolarHBondContact OG-CD1 3.44Å; D86-I88 PolarHBondContact O-N 3.48Å; I88-N90 PolarHBondContact O-N 3.45Å
89	K	43.1	Very low	45.8	Very low	170 Å²	170	96.9 Å²	96.9	74%	0.739	49%	0.486	S	S	*	.			trans	-77.4	113.9	160.8	-76.9	-174.6	178.5	178.2	0	109	D91	K89-D91 VanDerWaalsContact C-N 3.28Å; K89-D91 PolarHBondContact O-N 3.15Å; K89-D91 VanDerWaalsContact O-N 3.09Å
90	N	43.4	Very low	44.8	Very low	137 Å²	137	98.1 Å²	98.1	73%	0.733	49%	0.487	S	S	*	.			trans	-83.9	78.6	175.1	-145.3	9.4	0	0	0	107.4	I88 S92	I88-N90 PolarHBondContact O-N 3.45Å; N90-S92 PolarHBondContact O-N 2.94Å; N90-S92 VanDerWaalsContact O-N 3.17Å
91	D	38.4	Very low	43.8	Very low	83 Å²	83	102.9 Å²	102.9	44%	0.444	52%	0.521	S	S	.	.			trans	-73.4	109.9	177.4	-155.4	-37.4	0	0	0	108.8	K89 K93 T94	K89-D91 VanDerWaalsContact C-N 3.28Å; K89-D91 PolarHBondContact O-N 3.15Å; K89-D91 VanDerWaalsContact O-N 3.09Å; D91-K93 PolarHBondContact O-N 3.24Å; D91-K93 PolarHBondContact OD1-N 3.18Å; D91-T94 CarbonylContact O-C 3.36Å; D91-T94 PolarHBondContact O-N 3.41Å; D91-T94 VanDerWaalsContact O-O 3.04Å
92	S	42.7	Very low	42.8	Very low	121 Å²	121	109.3 Å²	109.3	85%	0.846	55%	0.554	S	S	*	*	S	Bend	trans	-66.2	-13.2	-177.4	45.7	0	0	0	0	112.7	N90	N90-S92 PolarHBondContact O-N 2.94Å; N90-S92 VanDerWaalsContact O-N 3.17Å
93	K	39	Very low	41.6	Very low	196 Å²	196	112.6 Å²	112.6	85%	0.852	58%	0.58	S	S	*	*	S	Bend	trans	-93.4	-31.4	177.7	-80.5	-179.8	174	177.4	0	114.3	D91	D91-K93 PolarHBondContact O-N 3.24Å; D91-K93 PolarHBondContact OD1-N 3.18Å
94	T	37.3	Very low	40.8	Very low	79 Å²	79	112.4 Å²	112.4	49%	0.485	58%	0.582	S	S	.	*			trans	-128.4	99.9	175.8	47.7	0	0	0	0	107	D91 K96	D91-T94 CarbonylContact O-C 3.36Å; D91-T94 PolarHBondContact O-N 3.41Å; D91-T94 VanDerWaalsContact O-O 3.04Å; T94-K96 PolarHBondContact O-N 3.4Å
95	K	40.4	Very low	40	Very low	134 Å²	134	114.1 Å²	114.1	58%	0.583	59%	0.592	S	S	*	*			trans	-65.3	66	170.4	-63.7	174.3	178.9	175.3	0	109.5	D18 R21	D18-K95 VanDerWaalsContact OD1-O 3.12Å; R21-K95 VanDerWaalsContact NH1-CB 3.33Å; R21-K95 PolarHBondContact NH1-O 2.71Å; R21-K95 VanDerWaalsContact NH1-O 3.11Å; R21-K95 PolarHBondContact NH2-O 2.8Å
96	K	36.6	Very low	39.4	Very low	139 Å²	139	117.9 Å²	117.9	60%	0.604	60%	0.6	S	S	*	*			trans	-122.8	121.7	-178.4	-135.9	-176.7	-174.6	-175.8	0	105.4	T94 E98	T94-K96 PolarHBondContact O-N 3.4Å; K96-E98 PolarHBondContact O-N 3.44Å
97	I	39.1	Very low	39	Very low	58 Å²	58	122.5 Å²	122.5	30%	0.297	62%	0.622	S	S	.	*			trans	-87.2	103.6	179.2	-60.2	175	0	0	0	106.9	L14 Y77	L14-I97 HydrophobicContact CB-CD1 4.08Å; L14-I97 HydrophobicContact CD1-CD1 3.91Å; L14-I97 HydrophobicContact CD2-CD1 4.39Å; L14-I97 HydrophobicContact CG-CD1 4.37Å; Y77-I97 HydrophobicContact CD1-CD1 4.36Å; Y77-I97 HydrophobicContact CE1-CD1 4.24Å; Y77-I97 HydrophobicContact CE1-CG2 3.68Å
98	E	37.2	Very low	38.6	Very low	107 Å²	107	125.3 Å²	125.3	50%	0.5	63%	0.627	S	S	.	*			trans	-85.7	117.5	171	-67.3	-170.1	163.3	0	0	109.3	K96 Y100	K96-E98 PolarHBondContact O-N 3.44Å; E98-Y100 HydrophobicContact CB-CD2 4.26Å; E98-Y100 HydrophobicContact CB-CE2 3.62Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.4Å; E98-Y100 PolarHBondContact OE2-OH 2.93Å
99	R	40.1	Very low	38.1	Very low	122 Å²	122	130.7 Å²	130.7	46%	0.46	65%	0.654	S	S	.	*			trans	-87.2	114	170	-93.5	178.5	164.7	-169.2	-14.6	108	S11 Y77	S11-R99 PolarHBondContact OG-NE 3.07Å; S11-R99 PolarHBondContact OG-NH1 3.24Å; S11-R99 PolarHBondContact OG-NH2 3.17Å; Y77-R99 PolarHBondContact OH-NE 2.97Å
100	Y	36.9	Very low	37.7	Very low	134 Å²	134	127.9 Å²	127.9	53%	0.525	65%	0.648	S	S	.	*			trans	-96.7	110.9	165	-68.4	-87.7	0	0	0	107.3	E98 L102	E98-Y100 HydrophobicContact CB-CD2 4.26Å; E98-Y100 HydrophobicContact CB-CE2 3.62Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.4Å; E98-Y100 PolarHBondContact OE2-OH 2.93Å; Y100-L102 PolarHBondContact O-N 3.41Å
101	S	31.4	Very low	37.3	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	64%	0.641	S	S	*	*			trans	-68.5	114.1	165	-68.2	0	0	0	0	107.3	N103	S101-N103 PolarHBondContact O-N 2.79Å
102	L	32.3	Very low	37.2	Very low	135 Å²	135	130.8 Å²	130.8	71%	0.707	66%	0.658	S	S	*	*			trans	-73.3	117.2	167.5	-78.7	157.4	0	0	0	107.5	G85 Y100	G85-L102 VanDerWaalsContact O-CD1 3.3Å; G85-L102 WeakPolarHBondContact O-CD1 3.36Å; Y100-L102 PolarHBondContact O-N 3.41Å
103	N	33.1	Very low	36.7	Very low	232 Å²	232	131.7 Å²	131.7	100%	1.241	64%	0.64	S	S	*	*			trans	-61.4	0	158.7	-85	-7.8	0	0	0	110.1	S101	S101-N103 PolarHBondContact O-N 2.79Å

Retrieved 103 of 103 residues in 119.6 ms (Link to these results)

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