Q86D79_SCHMA Loading...

Developmentally regulated antigen 10.3

AlphaFold DB , UniProt , Accession Q86D79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	48.2	Very low	219 Å²	219	106.1 Å²	106.1	100%	1.079	54%	0.544	S	S	*	.				0	104.8	0	-166.7	152.2	98.4	0	0	106.5	I3	M1-I3 PolarHBondContact O-N 2.78Å
2	N	38.2	Very low	48.9	Very low	121 Å²	121	100.4 Å²	100.4	65%	0.647	52%	0.518	S	S	*	.			trans	-61.1	127.7	-170.1	-92.6	0.4	0	0	0	110.2	Y4 L5	N2-Y4 HydrophobicContact CB-CD2 4.38Å; N2-Y4 PolarHBondContact O-N 3.13Å; N2-L5 WeakPolarHBondContact O-CB 3.36Å; N2-L5 PolarHBondContact O-N 3.23Å
3	I	48.3	Very low	48.9	Very low	112 Å²	112	94.9 Å²	94.9	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-56.1	-23	-179.7	-146.4	156.1	0	0	0	112.2	M1 I6 G7	M1-I3 PolarHBondContact O-N 2.78Å; I3-I6 HydrophobicContact CG1-CG2 4.39Å; I3-I6 WeakPolarHBondContact O-CG2 3.36Å; I3-I6 PolarHBondContact O-N 3.06Å; I3-G7 PolarHBondContact O-N 2.97Å
4	Y	40.6	Very low	48.7	Very low	170 Å²	170	94.9 Å²	94.9	67%	0.667	50%	0.5	S	S	*	.	H	α-helix	trans	-61.8	-40.1	171.4	-61.2	-74.4	0	0	0	112.9	N2 I6 G7 I8	N2-Y4 HydrophobicContact CB-CD2 4.38Å; N2-Y4 PolarHBondContact O-N 3.13Å; Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 3.05Å; Y4-G7 PolarHBondContact O-N 3.12Å; Y4-I8 WeakPolarHBondContact O-CB 3.34Å; Y4-I8 VanDerWaalsContact O-CD1 3.32Å; Y4-I8 WeakPolarHBondContact O-CD1 3.33Å; Y4-I8 WeakPolarHBondContact O-CG1 3Å; Y4-I8 PolarHBondContact O-N 3.24Å
5	L	43.4	Very low	48.6	Very low	108 Å²	108	93.5 Å²	93.5	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-41.2	-178.2	-130.7	99.4	0	0	0	111	N2 L9	N2-L5 WeakPolarHBondContact O-CB 3.36Å; N2-L5 PolarHBondContact O-N 3.23Å; L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 3Å
6	I	51.9	Low	48.5	Very low	88 Å²	88	92.7 Å²	92.7	45%	0.451	49%	0.487	S	S	.	.	H	α-helix	trans	-72.9	-40.4	178.6	-161.4	71.8	0	0	0	111.3	I3 Y4 I8 L9 C10	I3-I6 HydrophobicContact CG1-CG2 4.39Å; I3-I6 WeakPolarHBondContact O-CG2 3.36Å; I3-I6 PolarHBondContact O-N 3.06Å; Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 3.05Å; I6-I8 VanDerWaalsContact C-N 3.31Å; I6-I8 PolarHBondContact O-N 2.76Å; I6-L9 PolarHBondContact O-N 3.33Å; I6-C10 PolarHBondContact O-N 3.31Å
7	G	43.8	Very low	48.1	Very low	24 Å²	24	91.2 Å²	91.2	25%	0.247	49%	0.487	C	S	.	.	H	α-helix	trans	-60.9	-40.5	175.5	0	0	0	0	0	112.2	I3 Y4 C10 I11	I3-G7 PolarHBondContact O-N 2.97Å; Y4-G7 PolarHBondContact O-N 3.12Å; G7-C10 WeakPolarHBondContact O-CB 3.44Å; G7-C10 PolarHBondContact O-N 2.63Å; G7-I11 WeakPolarHBondContact O-CG1 3.43Å; G7-I11 PolarHBondContact O-N 3.01Å
8	I	52.4	Low	47.6	Very low	57 Å²	57	93.6 Å²	93.6	29%	0.292	49%	0.494	S	S	.	.	H	α-helix	trans	-69.8	-42.5	176.2	-64.2	161.4	0	0	0	111	Y4 I6 C10 I11 V12 F47 I51	Y4-I8 WeakPolarHBondContact O-CB 3.34Å; Y4-I8 VanDerWaalsContact O-CD1 3.32Å; Y4-I8 WeakPolarHBondContact O-CD1 3.33Å; Y4-I8 WeakPolarHBondContact O-CG1 3Å; Y4-I8 PolarHBondContact O-N 3.24Å; I6-I8 VanDerWaalsContact C-N 3.31Å; I6-I8 PolarHBondContact O-N 2.76Å; I8-C10 PolarHBondContact O-N 2.88Å; I8-I11 PolarHBondContact O-N 3.25Å; I8-I11 VanDerWaalsContact O-N 3.12Å; I8-V12 HydrophobicContact CG2-CG2 4.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.48Å; I8-F47 HydrophobicContact CG2-CE1 3.76Å; I8-F47 HydrophobicContact CG2-CZ 3.73Å; I8-I51 HydrophobicContact CG2-CD1 4.27Å
9	L	54.4	Low	47	Very low	116 Å²	116	90.2 Å²	90.2	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-58.2	-38.6	174.8	-130.9	89.6	0	0	0	111.4	L5 I6 G13	L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 3Å; I6-L9 PolarHBondContact O-N 3.33Å; L9-G13 PolarHBondContact O-N 3.48Å
10	C	51.3	Low	46.4	Very low	43 Å²	43	91 Å²	91	29%	0.291	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-44.5	174.3	-79.3	0	0	0	0	112.2	I6 G7 I8 G13 L14	I6-C10 PolarHBondContact O-N 3.31Å; G7-C10 WeakPolarHBondContact O-CB 3.44Å; G7-C10 PolarHBondContact O-N 2.63Å; I8-C10 PolarHBondContact O-N 2.88Å; C10-G13 PolarHBondContact O-N 3.48Å; C10-L14 WeakPolarHBondContact O-CB 3.49Å; C10-L14 PolarHBondContact O-N 2.92Å
11	I	57.7	Low	45.9	Very low	109 Å²	109	91.5 Å²	91.5	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176.6	-67.4	176.4	0	0	0	110.7	G7 I8 G13 L14 I15	G7-I11 WeakPolarHBondContact O-CG1 3.43Å; G7-I11 PolarHBondContact O-N 3.01Å; I8-I11 PolarHBondContact O-N 3.25Å; I8-I11 VanDerWaalsContact O-N 3.12Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 2.7Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 2.98Å; I11-L14 VanDerWaalsContact O-N 3.17Å; I11-I15 HydrophobicContact CG2-CD1 3.86Å; I11-I15 HydrophobicContact CG2-CG1 4.41Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.44Å
12	V	57	Low	45.4	Very low	38 Å²	38	85.9 Å²	85.9	23%	0.23	49%	0.491	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176	174	0	0	0	0	110.6	I8 L14 I15 I16 I51	I8-V12 HydrophobicContact CG2-CG2 4.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.48Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.02Å; V12-I15 PolarHBondContact O-N 3Å; V12-I16 HydrophobicContact CG1-CD1 3.91Å; V12-I16 VanDerWaalsContact O-CG1 3.27Å; V12-I16 WeakPolarHBondContact O-CG1 3.49Å; V12-I16 PolarHBondContact O-N 3.49Å; V12-I51 HydrophobicContact CG2-CD1 4.47Å
13	G	48.2	Very low	45.6	Very low	29 Å²	29	86.2 Å²	86.2	30%	0.299	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-37.2	174.6	0	0	0	0	0	113.2	L9 C10 I11 I16 S17	L9-G13 PolarHBondContact O-N 3.48Å; C10-G13 PolarHBondContact O-N 3.48Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 2.7Å; G13-I16 PolarHBondContact O-N 3.28Å; G13-S17 WeakPolarHBondContact O-CB 3.03Å; G13-S17 PolarHBondContact O-N 2.67Å
14	L	47	Very low	45.1	Very low	95 Å²	95	84.8 Å²	84.8	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-42.6	175.5	-141	93.7	0	0	0	111.2	C10 I11 V12 S17 Q18	C10-L14 WeakPolarHBondContact O-CB 3.49Å; C10-L14 PolarHBondContact O-N 2.92Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 2.98Å; I11-L14 VanDerWaalsContact O-N 3.17Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.02Å; L14-S17 PolarHBondContact O-N 3.02Å; L14-Q18 PolarHBondContact O-N 3.26Å
15	I	46.8	Very low	44.9	Very low	73 Å²	73	79.8 Å²	79.8	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-44	176.6	-67.2	166.8	0	0	0	110.2	I11 V12 S17 Q18 G19 M54	I11-I15 HydrophobicContact CG2-CD1 3.86Å; I11-I15 HydrophobicContact CG2-CG1 4.41Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.44Å; V12-I15 PolarHBondContact O-N 3Å; I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 2.99Å; I15-Q18 PolarHBondContact O-N 2.72Å; I15-G19 PolarHBondContact O-N 3.32Å; I15-M54 HydrophobicContact CD1-CE 4.49Å
16	I	47.1	Very low	44.7	Very low	81 Å²	81	80 Å²	80	42%	0.415	50%	0.504	S	S	.	.	H	α-helix	trans	-59.7	-42.2	173.8	-65.6	163.7	0	0	0	110.5	V12 G13 Q18 G19 F31 V34	V12-I16 HydrophobicContact CG1-CD1 3.91Å; V12-I16 VanDerWaalsContact O-CG1 3.27Å; V12-I16 WeakPolarHBondContact O-CG1 3.49Å; V12-I16 PolarHBondContact O-N 3.49Å; G13-I16 PolarHBondContact O-N 3.28Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 2.58Å; I16-G19 PolarHBondContact O-N 2.71Å; I16-F31 HydrophobicContact CB-CE1 4.29Å; I16-F31 HydrophobicContact CG1-CD1 4.23Å; I16-F31 HydrophobicContact CG1-CE1 3.85Å; I16-V34 HydrophobicContact CD1-CG1 4.36Å
17	S	41.4	Very low	44.1	Very low	68 Å²	68	79.7 Å²	79.7	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-29.7	179.3	-169.7	0	0	0	0	113.2	G13 L14 I15	G13-S17 WeakPolarHBondContact O-CB 3.03Å; G13-S17 PolarHBondContact O-N 2.67Å; L14-S17 PolarHBondContact O-N 3.02Å; I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 2.99Å
18	Q	39.7	Very low	44	Very low	134 Å²	134	83.3 Å²	83.3	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-86.9	-23.1	175.9	-66.6	-158.5	-6.6	0	0	113.2	L14 I15 I16 S20 T21	L14-Q18 PolarHBondContact O-N 3.26Å; I15-Q18 PolarHBondContact O-N 2.72Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 2.58Å; Q18-S20 PolarHBondContact O-N 2.87Å; Q18-T21 PolarHBondContact O-N 2.98Å; Q18-T21 PolarHBondContact O-OG1 3.16Å
19	G	35.3	Very low	43.6	Very low	29 Å²	29	87 Å²	87	30%	0.299	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-16.6	176	0	0	0	0	0	114.9	I15 I16 T21	I15-G19 PolarHBondContact O-N 3.32Å; I16-G19 PolarHBondContact O-N 2.71Å; G19-T21 PolarHBondContact O-N 3.07Å
20	S	36.1	Very low	43.1	Very low	106 Å²	106	86.7 Å²	86.7	74%	0.741	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	7	175.5	-175.7	0	0	0	0	114	Q18 A22	Q18-S20 PolarHBondContact O-N 2.87Å; S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.35Å
21	T	36	Very low	42.8	Very low	102 Å²	102	86.6 Å²	86.6	63%	0.626	52%	0.522	S	S	*	.	S	Bend	trans	-83.7	78.2	179.9	51.6	0	0	0	0	111.9	Q18 G19 N23	Q18-T21 PolarHBondContact O-N 2.98Å; Q18-T21 PolarHBondContact O-OG1 3.16Å; G19-T21 PolarHBondContact O-N 3.07Å; T21-N23 PolarHBondContact O-N 2.91Å
22	A	37.3	Very low	42.1	Very low	101 Å²	101	86.9 Å²	86.9	84%	0.835	53%	0.525	S	S	*	.	S	Bend	trans	49.7	-4.8	143.1	0	0	0	0	0	121.8	S20	S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.35Å
23	N	41.3	Very low	41.4	Very low	127 Å²	127	89.9 Å²	89.9	68%	0.679	54%	0.54	S	S	*	.	S	Bend	trans	-118.9	104	180	-61.3	-35.2	0	0	0	106	T21 S25	T21-N23 PolarHBondContact O-N 2.91Å; N23-S25 WeakPolarHBondContact O-CB 3.46Å; N23-S25 PolarHBondContact O-N 3.48Å; N23-S25 PolarHBondContact O-OG 2.77Å
24	G	38.1	Very low	41	Very low	82 Å²	82	90.4 Å²	90.4	85%	0.845	54%	0.537	S	S	*	.			trans	-52.4	70.6	179.4	0	0	0	0	0	113.2
25	S	36.8	Very low	40.7	Very low	65 Å²	65	91.6 Å²	91.6	46%	0.455	54%	0.544	S	S	.	.			trans	-93.6	151.5	178.8	-56.5	0	0	0	0	106.7	N23 L27 D28	N23-S25 WeakPolarHBondContact O-CB 3.46Å; N23-S25 PolarHBondContact O-N 3.48Å; N23-S25 PolarHBondContact O-OG 2.77Å; S25-L27 PolarHBondContact O-N 2.92Å; S25-D28 PolarHBondContact O-N 3.25Å
26	P	39.7	Very low	40.4	Very low	114 Å²	114	91.3 Å²	91.3	74%	0.74	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	10.9	-163.9	-16.6	30.6	0	0	0	115.6	D28	P26-D28 VanDerWaalsContact C-N 3.25Å; P26-D28 PolarHBondContact O-N 3.25Å
27	L	38.1	Very low	40.1	Very low	81 Å²	81	89 Å²	89	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-69.2	-23.2	173.6	-73.9	172.2	0	0	0	112.3	S25 D29 R30 F31	S25-L27 PolarHBondContact O-N 2.92Å; L27-D29 VanDerWaalsContact C-N 3.26Å; L27-D29 PolarHBondContact O-N 3.2Å; L27-R30 CarbonylContact O-C 3.5Å; L27-R30 WeakPolarHBondContact O-CA 3.41Å; L27-R30 PolarHBondContact O-N 2.87Å; L27-F31 VanDerWaalsContact C-CD2 3.4Å; L27-F31 HydrophobicContact CB-CD2 3.79Å; L27-F31 HydrophobicContact CB-CE2 3.43Å; L27-F31 VanDerWaalsContact CB-CE2 3.43Å; L27-F31 HydrophobicContact CB-CZ 4.32Å; L27-F31 HydrophobicContact CD1-CE2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.41Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 WeakPolarHBondContact O-CG 3.44Å; L27-F31 PolarHBondContact O-N 2.87Å
28	D	41.8	Very low	40.1	Very low	100 Å²	100	92.5 Å²	92.5	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-56.9	-39.3	178.6	-77.3	-26.6	0	0	0	112.6	S25 P26 R30 F31 N32	S25-D28 PolarHBondContact O-N 3.25Å; P26-D28 VanDerWaalsContact C-N 3.25Å; P26-D28 PolarHBondContact O-N 3.25Å; D28-R30 PolarHBondContact O-N 3.41Å; D28-F31 PolarHBondContact O-N 3.19Å; D28-N32 PolarHBondContact O-N 3.21Å
29	D	45.2	Very low	40.1	Very low	135 Å²	135	95.2 Å²	95.2	72%	0.722	56%	0.557	S	S	*	*	H	α-helix	trans	-66.8	-37.9	175.9	-74.4	-22.5	0	0	0	111.6	L27 D33	L27-D29 VanDerWaalsContact C-N 3.26Å; L27-D29 PolarHBondContact O-N 3.2Å; D29-D33 PolarHBondContact O-N 3.33Å
30	R	43.1	Very low	40.4	Very low	109 Å²	109	100.7 Å²	100.7	41%	0.411	57%	0.572	S	S	.	*	H	α-helix	trans	-71.9	-31.6	173.8	-64.8	-160.9	-159.5	-166.1	17.3	112.1	L27 D28 D33 V34 E57	L27-R30 CarbonylContact O-C 3.5Å; L27-R30 WeakPolarHBondContact O-CA 3.41Å; L27-R30 PolarHBondContact O-N 2.87Å; D28-R30 PolarHBondContact O-N 3.41Å; R30-D33 CarbonylContact O-C 3.49Å; R30-D33 WeakPolarHBondContact O-CA 3.42Å; R30-D33 VanDerWaalsContact O-CB 3.27Å; R30-D33 WeakPolarHBondContact O-CB 3.42Å; R30-D33 PolarHBondContact O-N 3.22Å; R30-V34 WeakPolarHBondContact O-CG2 3.27Å; R30-V34 PolarHBondContact O-N 2.92Å; R30-E57 IonicContact CZ-OE2 3.7Å; R30-E57 IonicContact NH1-OE2 3.46Å; R30-E57 PolarHBondContact NH1-OE2 2.93Å; R30-E57 IonicContact NH2-OE1 3.35Å; R30-E57 PolarHBondContact NH2-OE1 3.4Å; R30-E57 IonicContact NH2-OE2 3.07Å; R30-E57 PolarHBondContact NH2-OE2 3.22Å
31	F	44.4	Very low	40.7	Very low	41 Å²	41	105.1 Å²	105.1	18%	0.18	58%	0.581	C	S	.	*	H	α-helix	trans	-69.4	-37.8	178.1	-78.8	-59.9	0	0	0	112.3	I16 L27 D28 D33 V34 N35	I16-F31 HydrophobicContact CB-CE1 4.29Å; I16-F31 HydrophobicContact CG1-CD1 4.23Å; I16-F31 HydrophobicContact CG1-CE1 3.85Å; L27-F31 VanDerWaalsContact C-CD2 3.4Å; L27-F31 HydrophobicContact CB-CD2 3.79Å; L27-F31 HydrophobicContact CB-CE2 3.43Å; L27-F31 VanDerWaalsContact CB-CE2 3.43Å; L27-F31 HydrophobicContact CB-CZ 4.32Å; L27-F31 HydrophobicContact CD1-CE2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.41Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 WeakPolarHBondContact O-CG 3.44Å; L27-F31 PolarHBondContact O-N 2.87Å; D28-F31 PolarHBondContact O-N 3.19Å; F31-D33 PolarHBondContact O-N 2.94Å; F31-V34 WeakPolarHBondContact O-CA 3.5Å; F31-V34 PolarHBondContact O-N 3.07Å; F31-N35 PolarHBondContact O-N 2.65Å
32	N	43.5	Very low	41.1	Very low	114 Å²	114	103.6 Å²	103.6	61%	0.61	57%	0.566	S	S	*	*	H	α-helix	trans	-64.3	-35.1	173.1	-129.4	12.3	0	0	0	110.7	D28 T36	D28-N32 PolarHBondContact O-N 3.21Å; N32-T36 WeakPolarHBondContact O-CB 3.4Å; N32-T36 PolarHBondContact O-N 3.09Å; N32-T36 PolarHBondContact O-OG1 3.27Å
33	D	41.8	Very low	41.7	Very low	102 Å²	102	102.9 Å²	102.9	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-62.3	-46.6	167	-114.6	-1.7	0	0	0	110.4	D29 R30 F31 N35 T36 I37	D29-D33 PolarHBondContact O-N 3.33Å; R30-D33 CarbonylContact O-C 3.49Å; R30-D33 WeakPolarHBondContact O-CA 3.42Å; R30-D33 VanDerWaalsContact O-CB 3.27Å; R30-D33 WeakPolarHBondContact O-CB 3.42Å; R30-D33 PolarHBondContact O-N 3.22Å; F31-D33 PolarHBondContact O-N 2.94Å; D33-N35 PolarHBondContact O-N 2.82Å; D33-T36 CarbonylContact O-C 3.54Å; D33-T36 WeakPolarHBondContact O-CA 3.36Å; D33-T36 WeakPolarHBondContact O-CB 3.35Å; D33-T36 PolarHBondContact O-N 3.27Å; D33-I37 HydrophobicContact CB-CD1 4.18Å; D33-I37 WeakPolarHBondContact O-CB 3.47Å; D33-I37 WeakPolarHBondContact O-CD1 3.46Å; D33-I37 WeakPolarHBondContact O-CG1 3.26Å; D33-I37 PolarHBondContact O-N 3.08Å
34	V	41.1	Very low	42	Very low	40 Å²	40	104.4 Å²	104.4	24%	0.242	55%	0.554	C	S	.	*	H	α-helix	trans	-60.2	-40.7	179.5	179.5	0	0	0	0	113.3	I16 R30 F31 T36 I37 N38	I16-V34 HydrophobicContact CD1-CG1 4.36Å; R30-V34 WeakPolarHBondContact O-CG2 3.27Å; R30-V34 PolarHBondContact O-N 2.92Å; F31-V34 WeakPolarHBondContact O-CA 3.5Å; F31-V34 PolarHBondContact O-N 3.07Å; V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 3.21Å; V34-I37 HydrophobicContact CB-CD1 4.48Å; V34-I37 HydrophobicContact CG2-CD1 4.13Å; V34-I37 WeakPolarHBondContact O-CA 3.33Å; V34-I37 WeakPolarHBondContact O-CB 3.48Å; V34-I37 PolarHBondContact O-N 3.33Å; V34-I37 VanDerWaalsContact O-N 3.12Å; V34-N38 PolarHBondContact O-N 3.44Å
35	N	41.2	Very low	42.7	Very low	120 Å²	120	107.4 Å²	107.4	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-32.6	174.7	-107.1	3.7	0	0	0	112.2	F31 D33	F31-N35 PolarHBondContact O-N 2.65Å; D33-N35 PolarHBondContact O-N 2.82Å
36	T	39.8	Very low	43.6	Very low	67 Å²	67	108.8 Å²	108.8	41%	0.411	55%	0.546	S	S	.	.	H	α-helix	trans	-71.6	-31.6	169.5	-54.7	0	0	0	0	111.6	N32 D33 V34 K39 K40	N32-T36 WeakPolarHBondContact O-CB 3.4Å; N32-T36 PolarHBondContact O-N 3.09Å; N32-T36 PolarHBondContact O-OG1 3.27Å; D33-T36 CarbonylContact O-C 3.54Å; D33-T36 WeakPolarHBondContact O-CA 3.36Å; D33-T36 WeakPolarHBondContact O-CB 3.35Å; D33-T36 PolarHBondContact O-N 3.27Å; V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 3.21Å; T36-K39 WeakPolarHBondContact O-CB 3.37Å; T36-K39 PolarHBondContact O-N 3.42Å; T36-K40 PolarHBondContact O-N 2.92Å
37	I	40.9	Very low	44.2	Very low	33 Å²	33	106.5 Å²	106.5	17%	0.169	52%	0.524	C	S	.	.	H	α-helix	trans	-68.7	-36.2	179.5	-71.4	161.8	0	0	0	110	D33 V34 K39 K40 F42 L50	D33-I37 HydrophobicContact CB-CD1 4.18Å; D33-I37 WeakPolarHBondContact O-CB 3.47Å; D33-I37 WeakPolarHBondContact O-CD1 3.46Å; D33-I37 WeakPolarHBondContact O-CG1 3.26Å; D33-I37 PolarHBondContact O-N 3.08Å; V34-I37 HydrophobicContact CB-CD1 4.48Å; V34-I37 HydrophobicContact CG2-CD1 4.13Å; V34-I37 WeakPolarHBondContact O-CA 3.33Å; V34-I37 WeakPolarHBondContact O-CB 3.48Å; V34-I37 PolarHBondContact O-N 3.33Å; V34-I37 VanDerWaalsContact O-N 3.12Å; I37-K39 PolarHBondContact O-N 3.02Å; I37-K40 CarbonylContact O-C 3.35Å; I37-K40 PolarHBondContact O-N 2.82Å; I37-K40 VanDerWaalsContact O-N 3.13Å; I37-F42 HydrophobicContact CB-CD2 4.3Å; I37-F42 HydrophobicContact CB-CE2 4.12Å; I37-F42 HydrophobicContact CD1-CE2 4.25Å; I37-F42 HydrophobicContact CD1-CZ 4.24Å; I37-F42 HydrophobicContact CG1-CD2 4.19Å; I37-F42 HydrophobicContact CG1-CE2 3.51Å; I37-F42 HydrophobicContact CG1-CZ 3.99Å; I37-F42 HydrophobicContact CG2-CD2 3.57Å; I37-F42 HydrophobicContact CG2-CE2 3.8Å; I37-F42 HydrophobicContact CG2-CG 4.2Å; I37-L50 HydrophobicContact CD1-CD2 4.37Å
38	N	41.3	Very low	44.7	Very low	140 Å²	140	105.2 Å²	105.2	75%	0.749	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.4	171.9	-101.1	-37.5	0	0	0	113.2	V34	V34-N38 PolarHBondContact O-N 3.44Å
39	K	40.3	Very low	45.8	Very low	191 Å²	191	109.7 Å²	109.7	83%	0.83	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-25.1	174.5	-75.9	-175.6	178.1	179.6	0	114.3	T36 I37	T36-K39 WeakPolarHBondContact O-CB 3.37Å; T36-K39 PolarHBondContact O-N 3.42Å; I37-K39 PolarHBondContact O-N 3.02Å
40	K	40.3	Very low	46.8	Very low	145 Å²	145	105.8 Å²	105.8	63%	0.63	51%	0.51	S	S	*	.	S	Bend	trans	-97.9	113	175.1	-76.1	-176.9	177.3	177.9	0	108	T36 I37 F42	T36-K40 PolarHBondContact O-N 2.92Å; I37-K40 CarbonylContact O-C 3.35Å; I37-K40 PolarHBondContact O-N 2.82Å; I37-K40 VanDerWaalsContact O-N 3.13Å; K40-F42 VanDerWaalsContact C-N 3.27Å; K40-F42 PolarHBondContact O-N 2.9Å
41	Q	42.2	Very low	47.5	Very low	198 Å²	198	102.7 Å²	102.7	93%	0.925	50%	0.501	S	S	*	.			trans	-51.3	97.2	168.1	-77.9	-177	1.2	0	0	108.4	T43	Q41-T43 PolarHBondContact O-N 3.48Å
42	F	44.7	Very low	48.5	Very low	71 Å²	71	105.7 Å²	105.7	31%	0.311	52%	0.519	S	S	.	.			trans	-62.6	129.6	169.9	-103.7	-116	0	0	0	106.2	I37 K40 E46 F47	I37-F42 HydrophobicContact CB-CD2 4.3Å; I37-F42 HydrophobicContact CB-CE2 4.12Å; I37-F42 HydrophobicContact CD1-CE2 4.25Å; I37-F42 HydrophobicContact CD1-CZ 4.24Å; I37-F42 HydrophobicContact CG1-CD2 4.19Å; I37-F42 HydrophobicContact CG1-CE2 3.51Å; I37-F42 HydrophobicContact CG1-CZ 3.99Å; I37-F42 HydrophobicContact CG2-CD2 3.57Å; I37-F42 HydrophobicContact CG2-CE2 3.8Å; I37-F42 HydrophobicContact CG2-CG 4.2Å; K40-F42 VanDerWaalsContact C-N 3.27Å; K40-F42 PolarHBondContact O-N 2.9Å; F42-E46 HydrophobicContact CD1-CB 3.29Å; F42-E46 HydrophobicContact CE1-CB 3.59Å; F42-E46 HydrophobicContact CG-CB 4.21Å; F42-F47 HydrophobicContact CB-CB 4.28Å; F42-F47 HydrophobicContact CD1-CB 4.29Å
43	T	50.6	Low	49.7	Very low	85 Å²	85	103.4 Å²	103.4	52%	0.521	51%	0.513	S	S	.	.			trans	-64.1	144.2	165.2	31.4	0	0	0	0	108	Q41 E45 E46 F47	Q41-T43 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact O-N 3.4Å; T43-E46 PolarHBondContact N-OE2 3.12Å; T43-E46 VanDerWaalsContact N-OE2 3.16Å; T43-E46 PolarHBondContact O-N 3.45Å; T43-E46 WeakPolarHBondContact OG1-CG 3.46Å; T43-E46 PolarHBondContact OG1-OE2 3.36Å; T43-F47 PolarHBondContact O-N 2.92Å; T43-F47 VanDerWaalsContact O-N 3.12Å
44	E	46.5	Very low	50.6	Low	159 Å²	159	101.4 Å²	101.4	74%	0.743	50%	0.5	S	S	*	.	H	α-helix	trans	-51.1	-31.5	-176.9	-171.3	173.5	-176.5	0	0	112	S48	E44-S48 VanDerWaalsContact O-CB 3.26Å; E44-S48 WeakPolarHBondContact O-CB 3.34Å; E44-S48 PolarHBondContact O-N 2.88Å; E44-S48 PolarHBondContact O-OG 2.91Å
45	E	53.2	Low	51.6	Low	145 Å²	145	104.1 Å²	104.1	68%	0.678	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-45.2	174.1	-63.9	-176.4	-173.3	0	0	113.8	T43 F47 S48 R49	T43-E45 PolarHBondContact O-N 3.4Å; E45-F47 VanDerWaalsContact C-N 3.33Å; E45-S48 PolarHBondContact O-N 2.99Å; E45-R49 WeakPolarHBondContact O-CB 3.43Å; E45-R49 WeakPolarHBondContact O-CG 3.41Å; E45-R49 PolarHBondContact O-N 2.95Å
46	E	56.4	Low	52.9	Low	94 Å²	94	105.2 Å²	105.2	44%	0.439	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-39.4	178.3	-66.8	176	132.1	0	0	110.5	F42 T43 R49 L50	F42-E46 HydrophobicContact CD1-CB 3.29Å; F42-E46 HydrophobicContact CE1-CB 3.59Å; F42-E46 HydrophobicContact CG-CB 4.21Å; T43-E46 PolarHBondContact N-OE2 3.12Å; T43-E46 VanDerWaalsContact N-OE2 3.16Å; T43-E46 PolarHBondContact O-N 3.45Å; T43-E46 WeakPolarHBondContact OG1-CG 3.46Å; T43-E46 PolarHBondContact OG1-OE2 3.36Å; E46-R49 PolarHBondContact O-N 3.24Å; E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 2.93Å
47	F	51.8	Low	53.9	Low	67 Å²	67	106.2 Å²	106.2	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-68.9	-42.9	178.8	-174.5	-103.2	0	0	0	110.5	I8 F42 T43 E45 R49 L50 I51	I8-F47 HydrophobicContact CG2-CE1 3.76Å; I8-F47 HydrophobicContact CG2-CZ 3.73Å; F42-F47 HydrophobicContact CB-CB 4.28Å; F42-F47 HydrophobicContact CD1-CB 4.29Å; T43-F47 PolarHBondContact O-N 2.92Å; T43-F47 VanDerWaalsContact O-N 3.12Å; E45-F47 VanDerWaalsContact C-N 3.33Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 2.9Å; F47-L50 WeakPolarHBondContact O-CB 3.31Å; F47-L50 PolarHBondContact O-N 3.47Å; F47-L50 VanDerWaalsContact O-N 3.16Å; F47-I51 HydrophobicContact CD1-CG1 4.04Å; F47-I51 HydrophobicContact CE1-CD1 4.16Å; F47-I51 HydrophobicContact CE1-CG1 3.68Å; F47-I51 HydrophobicContact CE2-CD1 4.21Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 3.79Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 WeakPolarHBondContact O-CG1 3.49Å; F47-I51 PolarHBondContact O-N 3.43Å
48	S	49.1	Very low	54.5	Low	54 Å²	54	112.3 Å²	112.3	38%	0.378	53%	0.534	S	S	.	.	H	α-helix	trans	-61	-39.7	174.6	-62.9	0	0	0	0	112	E44 E45 N52	E44-S48 VanDerWaalsContact O-CB 3.26Å; E44-S48 WeakPolarHBondContact O-CB 3.34Å; E44-S48 PolarHBondContact O-N 2.88Å; E44-S48 PolarHBondContact O-OG 2.91Å; E45-S48 PolarHBondContact O-N 2.99Å; S48-N52 VanDerWaalsContact O-CB 3.28Å; S48-N52 WeakPolarHBondContact O-CB 3.3Å; S48-N52 VanDerWaalsContact O-CG 3.27Å; S48-N52 PolarHBondContact O-N 2.73Å; S48-N52 PolarHBondContact O-ND2 3.17Å
49	R	64.9	Low	55.2	Low	193 Å²	193	109.6 Å²	109.6	73%	0.728	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-44.6	173	-78.9	-178.8	-177.1	-142.2	3.5	111.9	E45 E46 F47 N52 S53	E45-R49 WeakPolarHBondContact O-CB 3.43Å; E45-R49 WeakPolarHBondContact O-CG 3.41Å; E45-R49 PolarHBondContact O-N 2.95Å; E46-R49 PolarHBondContact O-N 3.24Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 2.9Å; R49-N52 PolarHBondContact O-N 3.16Å; R49-S53 WeakPolarHBondContact O-CB 3.41Å; R49-S53 PolarHBondContact O-N 3.46Å
50	L	65.6	Low	56.2	Low	53 Å²	53	104.8 Å²	104.8	28%	0.277	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-50.3	178.4	-178.6	65.7	0	0	0	111.1	I37 E46 F47 S53 M54	I37-L50 HydrophobicContact CD1-CD2 4.37Å; E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 2.93Å; F47-L50 WeakPolarHBondContact O-CB 3.31Å; F47-L50 PolarHBondContact O-N 3.47Å; F47-L50 VanDerWaalsContact O-N 3.16Å; L50-S53 WeakPolarHBondContact O-CB 3.31Å; L50-S53 PolarHBondContact O-N 3.33Å; L50-M54 WeakPolarHBondContact O-CG 3.36Å; L50-M54 PolarHBondContact O-N 2.86Å
51	I	57.6	Low	56.9	Low	44 Å²	44	102.2 Å²	102.2	23%	0.226	49%	0.492	C	S	.	.	H	α-helix	trans	-62.4	-46.3	179.6	-63.8	-60.4	0	0	0	111.1	I8 V12 F47 S53 M54 L55	I8-I51 HydrophobicContact CG2-CD1 4.27Å; V12-I51 HydrophobicContact CG2-CD1 4.47Å; F47-I51 HydrophobicContact CD1-CG1 4.04Å; F47-I51 HydrophobicContact CE1-CD1 4.16Å; F47-I51 HydrophobicContact CE1-CG1 3.68Å; F47-I51 HydrophobicContact CE2-CD1 4.21Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 3.79Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 WeakPolarHBondContact O-CG1 3.49Å; F47-I51 PolarHBondContact O-N 3.43Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 2.89Å; I51-M54 PolarHBondContact O-N 2.96Å; I51-L55 VanDerWaalsContact O-CB 3.3Å; I51-L55 WeakPolarHBondContact O-CB 3.38Å; I51-L55 PolarHBondContact O-N 3.26Å
52	N	65.1	Low	57.3	Low	104 Å²	104	96.9 Å²	96.9	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-62.6	-36.8	177.6	-76.6	-26.7	0	0	0	112.1	S48 R49 K56	S48-N52 VanDerWaalsContact O-CB 3.28Å; S48-N52 WeakPolarHBondContact O-CB 3.3Å; S48-N52 VanDerWaalsContact O-CG 3.27Å; S48-N52 PolarHBondContact O-N 2.73Å; S48-N52 PolarHBondContact O-ND2 3.17Å; R49-N52 PolarHBondContact O-N 3.16Å; N52-K56 VanDerWaalsContact O-CB 3.23Å; N52-K56 WeakPolarHBondContact O-CB 3.23Å; N52-K56 PolarHBondContact O-N 2.98Å
53	S	69.3	Low	57.8	Low	67 Å²	67	100.1 Å²	100.1	47%	0.469	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-47.7	174.7	-172.1	0	0	0	0	111.6	R49 L50 I51 K56 E57	R49-S53 WeakPolarHBondContact O-CB 3.41Å; R49-S53 PolarHBondContact O-N 3.46Å; L50-S53 WeakPolarHBondContact O-CB 3.31Å; L50-S53 PolarHBondContact O-N 3.33Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 2.89Å; S53-K56 PolarHBondContact O-N 2.83Å; S53-E57 WeakPolarHBondContact O-CB 3.03Å; S53-E57 PolarHBondContact O-N 3.22Å
54	M	61.8	Low	57.7	Low	59 Å²	59	102.7 Å²	102.7	29%	0.291	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-41.3	179.5	-64.8	-142.9	-53.4	0	0	112.1	I15 L50 I51 K56 E57 Y58	I15-M54 HydrophobicContact CD1-CE 4.49Å; L50-M54 WeakPolarHBondContact O-CG 3.36Å; L50-M54 PolarHBondContact O-N 2.86Å; I51-M54 PolarHBondContact O-N 2.96Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.26Å; M54-E57 PolarHBondContact O-N 3.29Å; M54-Y58 WeakPolarHBondContact O-CB 3.28Å; M54-Y58 PolarHBondContact O-N 3.41Å
55	L	61.7	Low	57.7	Low	97 Å²	97	102.1 Å²	102.1	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-64.6	-39.8	178.1	-167.8	71.1	0	0	0	110.9	I51 Y58 I59	I51-L55 VanDerWaalsContact O-CB 3.3Å; I51-L55 WeakPolarHBondContact O-CB 3.38Å; I51-L55 PolarHBondContact O-N 3.26Å; L55-Y58 PolarHBondContact O-N 3.34Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 WeakPolarHBondContact O-CD1 3.4Å; L55-I59 WeakPolarHBondContact O-CG1 3.32Å; L55-I59 PolarHBondContact O-N 2.84Å
56	K	68.4	Low	57.1	Low	144 Å²	144	104 Å²	104	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-64.4	-43.8	175.8	-168.8	-180	-173.3	-126.7	0	111.8	N52 S53 M54 I59 E60	N52-K56 VanDerWaalsContact O-CB 3.23Å; N52-K56 WeakPolarHBondContact O-CB 3.23Å; N52-K56 PolarHBondContact O-N 2.98Å; S53-K56 PolarHBondContact O-N 2.83Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.26Å; K56-I59 PolarHBondContact O-N 3.41Å; K56-E60 WeakPolarHBondContact O-CB 3.44Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.96Å
57	E	61.3	Low	55.8	Low	88 Å²	88	107.1 Å²	107.1	41%	0.411	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-47.3	175.8	-167.7	171.1	-174.5	0	0	110.5	R30 S53 M54 I59 E60 D61	R30-E57 IonicContact CZ-OE2 3.7Å; R30-E57 IonicContact NH1-OE2 3.46Å; R30-E57 PolarHBondContact NH1-OE2 2.93Å; R30-E57 IonicContact NH2-OE1 3.35Å; R30-E57 PolarHBondContact NH2-OE1 3.4Å; R30-E57 IonicContact NH2-OE2 3.07Å; R30-E57 PolarHBondContact NH2-OE2 3.22Å; S53-E57 WeakPolarHBondContact O-CB 3.03Å; S53-E57 PolarHBondContact O-N 3.22Å; M54-E57 PolarHBondContact O-N 3.29Å; E57-I59 PolarHBondContact O-N 3.01Å; E57-E60 PolarHBondContact O-N 3.49Å; E57-D61 PolarHBondContact O-N 2.88Å
58	Y	53.2	Low	54.9	Low	160 Å²	160	108.9 Å²	108.9	63%	0.627	53%	0.529	S	S	*	.	H	α-helix	trans	-61.1	-42.1	176.7	-167.9	-97.1	0	0	0	112.5	M54 L55 N62	M54-Y58 WeakPolarHBondContact O-CB 3.28Å; M54-Y58 PolarHBondContact O-N 3.41Å; L55-Y58 PolarHBondContact O-N 3.34Å; Y58-N62 WeakPolarHBondContact CD1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.12Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3.24Å; Y58-N62 PolarHBondContact O-ND2 2.95Å
59	I	56.3	Low	54.1	Low	83 Å²	83	112.8 Å²	112.8	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-67.7	-39.1	177.3	-68.6	165.8	0	0	0	111.5	L55 K56 E57 N62 K63	L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 WeakPolarHBondContact O-CD1 3.4Å; L55-I59 WeakPolarHBondContact O-CG1 3.32Å; L55-I59 PolarHBondContact O-N 2.84Å; K56-I59 PolarHBondContact O-N 3.41Å; E57-I59 PolarHBondContact O-N 3.01Å; I59-N62 PolarHBondContact O-N 2.8Å; I59-K63 WeakPolarHBondContact O-CB 3.38Å; I59-K63 PolarHBondContact O-N 3.08Å
60	E	59.7	Low	52.4	Low	91 Å²	91	111.7 Å²	111.7	43%	0.425	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-43.8	177.4	-79.7	-66.7	151.7	0	0	111.7	K56 E57 K63 K64	K56-E60 WeakPolarHBondContact O-CB 3.44Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.96Å; E57-E60 PolarHBondContact O-N 3.49Å; E60-K63 PolarHBondContact O-N 2.85Å; E60-K63 VanDerWaalsContact O-N 3.13Å; E60-K64 PolarHBondContact O-N 3.26Å; E60-K64 VanDerWaalsContact O-N 3.08Å
61	D	54.9	Low	50.7	Low	90 Å²	90	118.4 Å²	118.4	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-43.2	176	-77	-13.8	0	0	0	111.2	E57 K63 K64	E57-D61 PolarHBondContact O-N 2.88Å; D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.01Å; D61-K64 PolarHBondContact O-N 3.39Å
62	N	51	Low	49.3	Very low	87 Å²	87	122.4 Å²	122.4	47%	0.465	61%	0.607	S	S	.	*	H	α-helix	trans	-70.1	-19.3	175	-78.2	-88.8	0	0	0	113.5	Y58 I59	Y58-N62 WeakPolarHBondContact CD1-ND2 3.42Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.12Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3.24Å; Y58-N62 PolarHBondContact O-ND2 2.95Å; I59-N62 PolarHBondContact O-N 2.8Å
63	K	54.9	Low	47.3	Very low	139 Å²	139	123.2 Å²	123.2	60%	0.604	62%	0.616	S	S	*	*	H	α-helix	trans	-80.3	-27.9	172.3	-98.6	-172.4	176.6	-178.5	0	112.7	I59 E60 D61 D65 K66	I59-K63 WeakPolarHBondContact O-CB 3.38Å; I59-K63 PolarHBondContact O-N 3.08Å; E60-K63 PolarHBondContact O-N 2.85Å; E60-K63 VanDerWaalsContact O-N 3.13Å; D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.01Å; K63-D65 PolarHBondContact O-N 3.25Å; K63-K66 PolarHBondContact O-N 3.37Å
64	K	48.7	Very low	45.3	Very low	138 Å²	138	125.1 Å²	125.1	60%	0.6	63%	0.627	S	S	*	*	H	α-helix	trans	-65.1	-23.8	178.7	-78.3	179.7	-176.2	166.8	0	113.2	E60 D61 K66 H67	E60-K64 PolarHBondContact O-N 3.26Å; E60-K64 VanDerWaalsContact O-N 3.08Å; D61-K64 PolarHBondContact O-N 3.39Å; K64-K66 PolarHBondContact O-N 2.97Å; K64-H67 PolarHBondContact O-N 3.47Å; K64-H67 VanDerWaalsContact O-N 3.07Å
65	D	47.9	Very low	43.7	Very low	147 Å²	147	131 Å²	131	79%	0.786	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-4.4	172.6	-74.8	-16.1	0	0	0	114	K63	K63-D65 PolarHBondContact O-N 3.25Å
66	K	38.6	Very low	41.9	Very low	184 Å²	184	132.1 Å²	132.1	80%	0.8	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	26.9	166.9	-70.5	-166.3	-175.2	-177.1	0	113.4	K63 K64 P68	K63-K66 PolarHBondContact O-N 3.37Å; K64-K66 PolarHBondContact O-N 2.97Å; K66-P68 WeakPolarHBondContact O-CD 3.21Å
67	H	29.3	Very low	40	Very low	160 Å²	160	131.6 Å²	131.6	74%	0.741	67%	0.673	S	S	*	*	S	Bend	trans	-77.6	105.9	157.4	-136.5	-76.5	0	0	0	107.6	K64 T69	K64-H67 PolarHBondContact O-N 3.47Å; K64-H67 VanDerWaalsContact O-N 3.07Å; H67-T69 PolarHBondContact O-N 2.84Å
68	P	34.4	Very low	38.4	Very low	105 Å²	105	133.1 Å²	133.1	68%	0.682	69%	0.689	S	S	*	*			trans	-57.2	120.7	174.1	24.1	-31.8	0	0	0	107.1	K66 Q70	K66-P68 WeakPolarHBondContact O-CD 3.21Å; P68-Q70 PolarHBondContact O-N 3.01Å; P68-Q70 VanDerWaalsContact O-N 3.1Å
69	T	30.6	Very low	37	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	70%	0.695	S	S	*	*			trans	-34.1	120.4	164.2	-52.9	0	0	0	0	108	H67 K71	H67-T69 PolarHBondContact O-N 2.84Å; T69-K71 PolarHBondContact O-N 2.83Å; T69-K71 VanDerWaalsContact O-N 3.16Å
70	Q	29.4	Very low	35.6	Very low	170 Å²	170	136.1 Å²	136.1	79%	0.794	71%	0.714	S	S	*	*			trans	-33.1	121.7	-179	-75	172.6	3.9	0	0	110.3	P68 T72	P68-Q70 PolarHBondContact O-N 3.01Å; P68-Q70 VanDerWaalsContact O-N 3.1Å; Q70-T72 PolarHBondContact O-N 3.43Å
71	K	29.8	Very low	33.9	Very low	193 Å²	193	139.7 Å²	139.7	84%	0.839	73%	0.731	S	S	*	*			trans	-52.1	97.9	151.1	-79.8	-178.8	174.6	-178.2	0	105.9	T69 T73	T69-K71 PolarHBondContact O-N 2.83Å; T69-K71 VanDerWaalsContact O-N 3.16Å; K71-T73 VanDerWaalsContact C-N 3.29Å; K71-T73 PolarHBondContact O-N 2.95Å
72	T	28.1	Very low	32.5	Very low	128 Å²	128	142.8 Å²	142.8	79%	0.785	75%	0.746	S	S	*	*			trans	-49.4	107.1	155	-18.8	0	0	0	0	103.9	Q70 P74	Q70-T72 PolarHBondContact O-N 3.43Å; T72-P74 WeakPolarHBondContact O-CD 3.44Å
73	T	23.6	Very low	31.2	Very low	122 Å²	122	144.2 Å²	144.2	75%	0.748	75%	0.753	S	S	*	*			trans	-62.7	109.2	-175.8	-53.5	0	0	0	0	106.3	K71 K75	K71-T73 VanDerWaalsContact C-N 3.29Å; K71-T73 PolarHBondContact O-N 2.95Å; T73-K75 PolarHBondContact O-N 2.91Å; T73-K75 VanDerWaalsContact O-N 3.16Å
74	P	28.6	Very low	29.7	Very low	107 Å²	107	145.5 Å²	145.5	70%	0.695	77%	0.766	S	S	*	*			trans	-72	114.7	163.9	-2.9	24.2	0	0	0	103.5	T72	T72-P74 WeakPolarHBondContact O-CD 3.44Å
75	K	26.5	Very low	28.6	Very low	183 Å²	183	142.3 Å²	142.3	80%	0.796	77%	0.773	S	S	*	*			trans	-38.3	134.5	166.7	-171.4	175.1	-176.5	176.4	0	108.5	T73 T77	T73-K75 PolarHBondContact O-N 2.91Å; T73-K75 VanDerWaalsContact O-N 3.16Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 3.4Å
76	P	25.4	Very low	27.3	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	78%	0.775	S	S	*	*			trans	-63.1	93.8	-171.4	21.6	-28	0	0	0	109.7	T78	P76-T78 PolarHBondContact O-N 3.22Å
77	T	27.2	Very low	26.8	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	78%	0.776	S	S	*	*			trans	-76.9	106.5	161.3	26.7	0	0	0	0	106.2	K75	K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 3.4Å
78	T	27.4	Very low	26.7	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	78%	0.778	S	S	*	*			trans	-23.1	133.8	169.1	-49	0	0	0	0	113.2	P76 K80	P76-T78 PolarHBondContact O-N 3.22Å; T78-K80 PolarHBondContact O-N 3.34Å
79	P	25.5	Very low	26.2	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	79%	0.787	S	S	*	*			trans	-56.7	109.7	-179.8	-17.2	28.1	0	0	0	109.7	Q81	P79-Q81 PolarHBondContact O-N 2.91Å; P79-Q81 VanDerWaalsContact O-N 3.07Å
80	K	26.8	Very low	26.1	Very low	188 Å²	188	141.9 Å²	141.9	82%	0.817	78%	0.784	S	S	*	*			trans	-75.7	99.3	167.5	-151.7	173	-172.8	177.8	0	105.4	T78 I82	T78-K80 PolarHBondContact O-N 3.34Å; K80-I82 PolarHBondContact O-N 3.34Å
81	Q	22.4	Very low	26	Very low	166 Å²	166	139 Å²	139	78%	0.776	78%	0.783	S	S	*	*			trans	-46	109.5	164	-81.4	178	-29.9	0	0	108.1	P79	P79-Q81 PolarHBondContact O-N 2.91Å; P79-Q81 VanDerWaalsContact O-N 3.07Å
82	I	26.4	Very low	26	Very low	155 Å²	155	136.3 Å²	136.3	80%	0.795	78%	0.777	S	S	*	*			trans	-116.5	101	158.6	-49.8	178.3	0	0	0	103.6	K80	K80-I82 PolarHBondContact O-N 3.34Å
83	N	23.1	Very low	25.9	Very low	117 Å²	117	136.1 Å²	136.1	63%	0.626	78%	0.776	S	S	*	*			trans	-63.3	151.5	177.4	-66	-33.6	0	0	0	110.9
84	D	24.1	Very low	26.1	Very low	165 Å²	165	138.3 Å²	138.3	88%	0.882	78%	0.777	S	S	*	*			trans	57.1	96.8	151.7	-65.2	-24.3	0	0	0	118.8
85	G	25.2	Very low	25.9	Very low	72 Å²	72	139 Å²	139	74%	0.742	78%	0.78	S	S	*	*			trans	-158.9	85.3	162.1	0	0	0	0	0	109.8	S87	G85-S87 PolarHBondContact O-N 3.12Å
86	T	21.7	Very low	26	Very low	134 Å²	134	137.4 Å²	137.4	82%	0.822	78%	0.779	S	S	*	*			trans	-22.6	118.7	167.5	-37	0	0	0	0	114.3
87	S	27	Very low	26	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	78%	0.78	S	S	*	*			trans	-145.6	95.6	157.6	-168.2	0	0	0	0	108.3	G85	G85-S87 PolarHBondContact O-N 3.12Å
88	D	26.6	Very low	25.9	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	79%	0.785	S	S	*	*			trans	-63.7	139.9	176.6	-86.6	-44.1	0	0	0	111.4
89	K	25.5	Very low	25.9	Very low	199 Å²	199	146.2 Å²	146.2	87%	0.865	79%	0.788	S	S	*	*			trans	-56.9	133.3	170.1	-66.1	165.1	172.8	171.2	0	110.9
90	T	28.6	Very low	26	Very low	126 Å²	126	147 Å²	147	77%	0.773	79%	0.79	S	S	*	*				-165.9	125.5	128.8	33.1	0	0	0	0	110.4	D92	T90-D92 PolarHBondContact O-N 3.31Å
91	S	27	Very low	26	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	79%	0.787	S	S	*	*			trans	-80.7	99	175	54.8	0	0	0	0	110.4	T93	S91-T93 PolarHBondContact O-N 2.87Å
92	D	29.6	Very low	26.2	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	79%	0.789	S	S	*	*			trans	-82.5	103.1	172.6	-76.1	-23.4	0	0	0	110.1	T90 H94	T90-D92 PolarHBondContact O-N 3.31Å; D92-H94 PolarHBondContact O-N 2.89Å
93	T	24.9	Very low	26.3	Very low	125 Å²	125	143 Å²	143	77%	0.767	79%	0.789	S	S	*	*			trans	-80.1	98.7	173.6	-47.8	0	0	0	0	108	S91 T95	S91-T93 PolarHBondContact O-N 2.87Å; T93-T95 PolarHBondContact O-N 3.42Å; T93-T95 VanDerWaalsContact O-N 3.12Å
94	H	28.8	Very low	26.6	Very low	167 Å²	167	144 Å²	144	77%	0.773	80%	0.799	S	S	*	*			trans	-73.4	98.2	175.9	-88.6	-59.9	0	0	0	111.3	D92 I96	D92-H94 PolarHBondContact O-N 2.89Å; H94-I96 PolarHBondContact O-N 3.26Å
95	T	23.4	Very low	26.9	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	80%	0.795	S	S	*	*			trans	-72.8	103.4	165	-59.5	0	0	0	0	109.4	T93 K97	T93-T95 PolarHBondContact O-N 3.42Å; T93-T95 VanDerWaalsContact O-N 3.12Å; T95-K97 PolarHBondContact O-N 2.98Å
96	I	28.6	Very low	27.1	Very low	150 Å²	150	144.5 Å²	144.5	77%	0.769	80%	0.796	S	S	*	*			trans	-73.2	103.9	176.9	-59.1	170.5	0	0	0	108.8	H94 R98	H94-I96 PolarHBondContact O-N 3.26Å; I96-R98 PolarHBondContact O-N 3.06Å
97	K	26.8	Very low	27.5	Very low	186 Å²	186	147.5 Å²	147.5	81%	0.809	80%	0.798	S	S	*	*			trans	-73.3	112.6	167.9	-75.7	-175.6	177	-179.8	0	109.2	T95 T99	T95-K97 PolarHBondContact O-N 2.98Å; K97-T99 PolarHBondContact O-N 3.36Å
98	R	24.2	Very low	27.3	Very low	242 Å²	242	150 Å²	150	91%	0.913	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.5	117	169.4	-82	169.9	93.1	159.1	1.6	109.3	I96	I96-R98 PolarHBondContact O-N 3.06Å
99	T	27	Very low	27.4	Very low	130 Å²	130	149.8 Å²	149.8	80%	0.798	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-88.2	118.3	166.1	39.1	0	0	0	0	108.9	K97 P101	K97-T99 PolarHBondContact O-N 3.36Å; T99-P101 WeakPolarHBondContact O-CD 3.46Å
100	T	27.3	Very low	27.3	Very low	133 Å²	133	147.1 Å²	147.1	82%	0.816	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.9	121.1	172.6	-44.5	0	0	0	0	108.7	K102	T100-K102 PolarHBondContact O-N 3.42Å
101	P	27.6	Very low	27.4	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.3	178.2	-18.5	31.1	0	0	0	110.9	T99	T99-P101 WeakPolarHBondContact O-CD 3.46Å
102	K	27.2	Very low	27.3	Very low	192 Å²	192	146.3 Å²	146.3	84%	0.835	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.6	131.5	176.9	-162.7	173.6	-175.6	176.8	0	109.6	T100 T104	T100-K102 PolarHBondContact O-N 3.42Å; K102-T104 PolarHBondContact O-N 3.5Å
103	P	28.5	Very low	27	Very low	120 Å²	120	146.3 Å²	146.3	78%	0.779	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.3	124.7	-178.8	-16.3	28.2	0	0	0	110.9
104	T	28.9	Very low	27.1	Very low	136 Å²	136	146 Å²	146	83%	0.834	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.9	120.7	169.1	35.3	0	0	0	0	109.3	K102	K102-T104 PolarHBondContact O-N 3.5Å
105	T	30.1	Very low	26.9	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59	130.6	178.7	-48.4	0	0	0	0	111.1	K107	T105-K107 PolarHBondContact O-N 3.03Å
106	P	30.7	Very low	27	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.6	125	175	-15.9	28.8	0	0	0	110.7	Q108	P106-Q108 PolarHBondContact O-N 2.94Å
107	K	28.2	Very low	26.9	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	80%	0.795	S	S	*	*			trans	-72.5	111.2	174	-146.6	174.2	-174.5	179.7	0	107.9	T105 I109	T105-K107 PolarHBondContact O-N 3.03Å; K107-I109 PolarHBondContact O-N 3.39Å
108	Q	24.6	Very low	26.8	Very low	170 Å²	170	142.1 Å²	142.1	79%	0.794	79%	0.79	S	S	*	*			trans	-61	124	169.7	-82.1	-176.4	-22.1	0	0	109.2	P106	P106-Q108 PolarHBondContact O-N 2.94Å
109	I	28.6	Very low	26.9	Very low	142 Å²	142	137.1 Å²	137.1	73%	0.728	78%	0.781	S	S	*	*			trans	-111.8	96.4	166.9	-43.6	175.2	0	0	0	105.3	K107	K107-I109 PolarHBondContact O-N 3.39Å
110	N	23.8	Very low	26.7	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	78%	0.783	S	S	*	*			trans	-85.2	95.5	166.4	-81	-14.4	0	0	0	107.3
111	D	30.2	Very low	26.7	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	78%	0.778	S	S	*	*			trans	-113.9	122.9	154.2	-78.1	-34.8	0	0	0	104.3
112	G	24.7	Very low	26.5	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	78%	0.777	S	S	*	*			cis	130.6	89.2	41.4	0	0	0	0	0	105.4
113	T	22.1	Very low	26.5	Very low	136 Å²	136	136.4 Å²	136.4	83%	0.834	77%	0.773	S	S	*	*			trans	25.2	112.9	145.7	-44.4	0	0	0	0	118.9
114	S	28.7	Very low	26.3	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	77%	0.773	S	S	*	*			trans	-169.2	94.2	139.7	-155.4	0	0	0	0	108.8
115	D	23	Very low	26.1	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	78%	0.778	S	S	*	*				48.3	97.7	93.7	-91.3	-5.9	0	0	0	114.8
116	K	25.8	Very low	26	Very low	185 Å²	185	143.7 Å²	143.7	80%	0.804	77%	0.772	S	S	*	*				154.2	155.7	115.3	-86	169.6	-178.1	178.3	0	113.3
117	T	26.6	Very low	25.8	Very low	131 Å²	131	144.3 Å²	144.3	80%	0.804	78%	0.775	S	S	*	*			trans	78.4	92.6	163.4	51.4	0	0	0	0	117.5
118	S	24.4	Very low	25.6	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	77%	0.767	S	S	*	*			trans	-32.1	131.7	134.1	54.3	0	0	0	0	112.4
119	D	26.3	Very low	25.7	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	77%	0.768	S	S	*	*			trans	-161.6	114.9	132	-91.4	-28.1	0	0	0	109.9	H121	D119-H121 PolarHBondContact O-N 2.86Å
120	T	22.6	Very low	25.7	Very low	136 Å²	136	139.9 Å²	139.9	83%	0.834	77%	0.771	S	S	*	*			trans	-73.2	70.1	-179.9	-36.8	0	0	0	0	109.5	T122	T120-T122 PolarHBondContact O-N 3.21Å
121	H	27.4	Very low	25.9	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.718	77%	0.772	S	S	*	*			trans	-84.5	98.8	169.3	-83.6	-51.7	0	0	0	109.7	D119 I123	D119-H121 PolarHBondContact O-N 2.86Å; H121-I123 VanDerWaalsContact C-N 3.26Å; H121-I123 PolarHBondContact O-N 3.42Å
122	T	23.4	Very low	25.9	Very low	117 Å²	117	138 Å²	138	72%	0.718	77%	0.77	S	S	*	*			trans	-54.3	92.7	157.4	-59.1	0	0	0	0	108	T120 K124	T120-T122 PolarHBondContact O-N 3.21Å; T122-K124 VanDerWaalsContact C-N 3.26Å; T122-K124 PolarHBondContact O-N 3.46Å
123	I	27.4	Very low	26.2	Very low	147 Å²	147	140.3 Å²	140.3	75%	0.754	77%	0.773	S	S	*	*			trans	-71.4	89.5	177.2	-61.4	170.3	0	0	0	107.1	H121 R125	H121-I123 VanDerWaalsContact C-N 3.26Å; H121-I123 PolarHBondContact O-N 3.42Å; I123-R125 PolarHBondContact O-N 2.98Å
124	K	25.4	Very low	26.6	Very low	180 Å²	180	143 Å²	143	78%	0.783	77%	0.773	S	S	*	*			trans	-56.5	131.3	163.3	-81.4	-177	176.5	178.5	0	108	T122 T126	T122-K124 VanDerWaalsContact C-N 3.26Å; T122-K124 PolarHBondContact O-N 3.46Å; K124-T126 PolarHBondContact O-N 3.18Å
125	R	23.6	Very low	26.5	Very low	246 Å²	246	145 Å²	145	93%	0.928	77%	0.769	S	S	*	*			trans	-32.9	95.1	172.5	-67.9	163.1	92.7	159.2	4.6	112.2	I123	I123-R125 PolarHBondContact O-N 2.98Å
126	T	28	Very low	26.8	Very low	115 Å²	115	145.5 Å²	145.5	71%	0.706	77%	0.771	S	S	*	*			trans	-98.4	107.3	148.1	44	0	0	0	0	105.3	K124 P128	K124-T126 PolarHBondContact O-N 3.18Å; T126-P128 WeakPolarHBondContact O-CD 3.46Å
127	T	26	Very low	27	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	77%	0.765	S	S	*	*			trans	-51.8	114.8	167.3	-41.7	0	0	0	0	106.2	K129	T127-K129 PolarHBondContact O-N 3.19Å
128	P	25.5	Very low	27.3	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	76%	0.76	S	S	*	*			trans	-60.9	117.1	178.6	-18.7	30.6	0	0	0	106.7	T126	T126-P128 WeakPolarHBondContact O-CD 3.46Å
129	K	26.5	Very low	27.6	Very low	185 Å²	185	142.1 Å²	142.1	80%	0.804	77%	0.769	S	S	*	*			trans	-52.6	130.6	163	-157.3	174.6	-171.8	177.2	0	105.3	T127 T131	T127-K129 PolarHBondContact O-N 3.19Å; K129-T131 VanDerWaalsContact C-N 3.31Å; K129-T131 PolarHBondContact O-N 3.15Å
130	P	27.4	Very low	28	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	76%	0.763	S	S	*	*			trans	-60.2	97.8	-176.2	-16.3	27.6	0	0	0	108.2	T132	P130-T132 PolarHBondContact O-N 3.26Å
131	T	29.2	Very low	28.8	Very low	130 Å²	130	139 Å²	139	80%	0.798	76%	0.759	S	S	*	*			trans	-73.1	113.1	164	31.8	0	0	0	0	104.6	K129	K129-T131 VanDerWaalsContact C-N 3.31Å; K129-T131 PolarHBondContact O-N 3.15Å
132	T	30.3	Very low	29.6	Very low	124 Å²	124	138 Å²	138	76%	0.761	76%	0.759	S	S	*	*			trans	-34.3	133.5	172.2	-48.6	0	0	0	0	110.2	P130 K134	P130-T132 PolarHBondContact O-N 3.26Å; T132-K134 PolarHBondContact O-N 3.28Å
133	P	29.7	Very low	30.5	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	76%	0.761	S	S	*	*			trans	-51.6	113.1	-172.3	-21.7	30.2	0	0	0	109.2	Q135	P133-Q135 PolarHBondContact O-N 3.18Å
134	K	30.5	Very low	31.1	Very low	193 Å²	193	137 Å²	137	84%	0.839	75%	0.746	S	S	*	*			trans	-60.9	114.4	170	-141.7	175.7	-174.3	-179	0	104.3	T132 I136	T132-K134 PolarHBondContact O-N 3.28Å; K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 PolarHBondContact O-N 3.08Å
135	Q	27.4	Very low	32.2	Very low	158 Å²	158	138.1 Å²	138.1	74%	0.738	75%	0.751	S	S	*	*			trans	-54.8	96.4	171.3	-76.7	-175.7	-6.3	0	0	107.5	P133 N137	P133-Q135 PolarHBondContact O-N 3.18Å; Q135-N137 PolarHBondContact O-N 3.1Å; Q135-N137 VanDerWaalsContact O-N 3.08Å; Q135-N137 PolarHBondContact OE1-ND2 3.31Å
136	I	30.5	Very low	33	Very low	142 Å²	142	129.3 Å²	129.3	73%	0.728	73%	0.727	S	S	*	*			trans	-83.1	81.4	165.3	-52.3	175.4	0	0	0	104.1	K134 D138	K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 PolarHBondContact O-N 3.08Å; I136-D138 HydrophobicContact CG2-CB 4.23Å; I136-D138 PolarHBondContact O-N 3.13Å; I136-D138 VanDerWaalsContact O-N 3.1Å
137	N	29.1	Very low	33.6	Very low	129 Å²	129	129.8 Å²	129.8	69%	0.69	72%	0.724	S	S	*	*			trans	-73.5	79.8	160.9	-69.9	-34.6	0	0	0	106.5	Q135	Q135-N137 PolarHBondContact O-N 3.1Å; Q135-N137 VanDerWaalsContact O-N 3.08Å; Q135-N137 PolarHBondContact OE1-ND2 3.31Å
138	D	32.9	Very low	34.1	Very low	131 Å²	131	126 Å²	126	70%	0.701	71%	0.705	S	S	*	*			trans	-130.3	116.7	161.6	-92.9	-36.4	0	0	0	107.9	I136 T140	I136-D138 HydrophobicContact CG2-CB 4.23Å; I136-D138 PolarHBondContact O-N 3.13Å; I136-D138 VanDerWaalsContact O-N 3.1Å; D138-T140 PolarHBondContact O-N 2.87Å
139	G	29.8	Very low	34.8	Very low	84 Å²	84	124 Å²	124	87%	0.866	69%	0.689	S	S	*	*			trans	-74.2	55	-169.8	0	0	0	0	0	113.6	S141	G139-S141 VanDerWaalsContact C-N 3.33Å; G139-S141 PolarHBondContact O-N 3.48Å; G139-S141 VanDerWaalsContact O-N 3.13Å
140	T	35.3	Very low	35.6	Very low	99 Å²	99	120 Å²	120	61%	0.607	68%	0.676	S	S	*	*			trans	-83.4	90.9	164.7	-47.5	0	0	0	0	106.7	D138 D142	D138-T140 PolarHBondContact O-N 2.87Å; T140-D142 WeakPolarHBondContact CG2-OD1 3.34Å; T140-D142 PolarHBondContact O-N 3.07Å
141	S	40	Very low	36.4	Very low	109 Å²	109	118.5 Å²	118.5	76%	0.762	66%	0.657	S	S	*	*			trans	-62.1	69.4	161.3	166.2	0	0	0	0	108.3	G139 K143	G139-S141 VanDerWaalsContact C-N 3.33Å; G139-S141 PolarHBondContact O-N 3.48Å; G139-S141 VanDerWaalsContact O-N 3.13Å; S141-K143 PolarHBondContact O-N 2.92Å
142	D	44.8	Very low	37.3	Very low	134 Å²	134	117.8 Å²	117.8	72%	0.717	65%	0.647	S	S	*	*			trans	-68.6	82.2	162.9	-79.2	-30.9	0	0	0	105.9	T140 P144	T140-D142 WeakPolarHBondContact CG2-OD1 3.34Å; T140-D142 PolarHBondContact O-N 3.07Å; D142-P144 VanDerWaalsContact O-CD 3.3Å; D142-P144 WeakPolarHBondContact O-CD 3.45Å
143	K	41.3	Very low	38	Very low	174 Å²	174	118.5 Å²	118.5	76%	0.757	65%	0.645	S	S	*	*			trans	-49.8	114.2	165	-165.4	174.8	-170.1	173.4	0	105	S141 K145	S141-K143 PolarHBondContact O-N 2.92Å; K143-K145 PolarHBondContact O-N 3.29Å
144	P	41.1	Very low	38.7	Very low	68 Å²	68	119.1 Å²	119.1	44%	0.442	64%	0.642	S	S	.	*			trans	-58	112.6	-175.6	20.7	-30.6	0	0	0	106.9	D142 S146 D149 I150	D142-P144 VanDerWaalsContact O-CD 3.3Å; D142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-S146 PolarHBondContact O-N 3.18Å; P144-D149 HydrophobicContact CB-CB 4.43Å; P144-I150 HydrophobicContact CB-CD1 4.36Å; P144-I150 HydrophobicContact CB-CG1 3.83Å; P144-I150 HydrophobicContact CG-CD1 4.09Å; P144-I150 HydrophobicContact CG-CG1 3.99Å
145	K	48	Very low	39.3	Very low	204 Å²	204	117.9 Å²	117.9	89%	0.887	64%	0.637	S	S	*	*	S	Bend	trans	-69.2	-16.2	-176.2	-80.8	179.2	-179.8	167	0	111	K143	K143-K145 PolarHBondContact O-N 3.29Å
146	S	40.2	Very low	40.2	Very low	61 Å²	61	113 Å²	113	43%	0.427	62%	0.619	S	S	.	*	S	Bend	trans	-144.8	146	174	-176.2	0	0	0	0	110	P144 A148 D149	P144-S146 PolarHBondContact O-N 3.18Å; S146-A148 PolarHBondContact O-N 3.32Å; S146-A148 VanDerWaalsContact O-N 3.09Å; S146-A148 WeakPolarHBondContact OG-CB 3.29Å; S146-A148 PolarHBondContact OG-N 3.03Å; S146-D149 PolarHBondContact O-N 2.76Å
147	I	40.4	Very low	41.3	Very low	125 Å²	125	116.7 Å²	116.7	64%	0.641	63%	0.629	S	S	*	*	H	α-helix	trans	-52.8	-28.8	169.2	-66.7	168.7	0	0	0	110	D149 I150 F151	I147-D149 VanDerWaalsContact C-N 3.29Å; I147-D149 PolarHBondContact O-N 2.86Å; I147-I150 WeakPolarHBondContact O-CB 3.37Å; I147-I150 PolarHBondContact O-N 3.21Å; I147-F151 HydrophobicContact CG2-CD2 4.17Å; I147-F151 HydrophobicContact CG2-CE2 3.48Å; I147-F151 VanDerWaalsContact CG2-CE2 3.48Å; I147-F151 HydrophobicContact CG2-CZ 4.24Å; I147-F151 WeakPolarHBondContact O-CD2 3.42Å
148	A	37.4	Very low	42.2	Very low	49 Å²	49	113.8 Å²	113.8	41%	0.405	62%	0.617	S	S	.	*	H	α-helix	trans	-57.4	-34.7	174.1	0	0	0	0	0	114.3	S146 I150 F151 L152	S146-A148 PolarHBondContact O-N 3.32Å; S146-A148 VanDerWaalsContact O-N 3.09Å; S146-A148 WeakPolarHBondContact OG-CB 3.29Å; S146-A148 PolarHBondContact OG-N 3.03Å; A148-I150 VanDerWaalsContact C-N 3.35Å; A148-F151 WeakPolarHBondContact O-CB 3.49Å; A148-F151 PolarHBondContact O-N 3.41Å; A148-F151 VanDerWaalsContact O-N 3.15Å; A148-L152 PolarHBondContact O-N 2.82Å
149	D	40.1	Very low	43	Very low	69 Å²	69	110.4 Å²	110.4	37%	0.369	60%	0.602	S	S	.	*	H	α-helix	trans	-72.4	-32.9	-177.2	-66.3	-28.1	0	0	0	111.4	P144 S146 I147 F151 L152 I153	P144-D149 HydrophobicContact CB-CB 4.43Å; S146-D149 PolarHBondContact O-N 2.76Å; I147-D149 VanDerWaalsContact C-N 3.29Å; I147-D149 PolarHBondContact O-N 2.86Å; D149-F151 PolarHBondContact O-N 3.49Å; D149-L152 PolarHBondContact O-N 3.46Å; D149-I153 WeakPolarHBondContact O-CG1 3.43Å; D149-I153 PolarHBondContact O-N 3.2Å
150	I	42.4	Very low	43.9	Very low	101 Å²	101	109.3 Å²	109.3	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-58.7	-35.6	172.7	-54.9	175.1	0	0	0	109.8	P144 I147 A148	P144-I150 HydrophobicContact CB-CD1 4.36Å; P144-I150 HydrophobicContact CB-CG1 3.83Å; P144-I150 HydrophobicContact CG-CD1 4.09Å; P144-I150 HydrophobicContact CG-CG1 3.99Å; I147-I150 WeakPolarHBondContact O-CB 3.37Å; I147-I150 PolarHBondContact O-N 3.21Å; A148-I150 VanDerWaalsContact C-N 3.35Å
151	F	45.2	Very low	44.5	Very low	89 Å²	89	111.3 Å²	111.3	39%	0.39	57%	0.572	S	S	.	*	H	α-helix	trans	-78.2	-28.5	179.7	-65.2	-66.1	0	0	0	114	I147 A148 D149 Y167	I147-F151 HydrophobicContact CG2-CD2 4.17Å; I147-F151 HydrophobicContact CG2-CE2 3.48Å; I147-F151 VanDerWaalsContact CG2-CE2 3.48Å; I147-F151 HydrophobicContact CG2-CZ 4.24Å; I147-F151 WeakPolarHBondContact O-CD2 3.42Å; A148-F151 WeakPolarHBondContact O-CB 3.49Å; A148-F151 PolarHBondContact O-N 3.41Å; A148-F151 VanDerWaalsContact O-N 3.15Å; D149-F151 PolarHBondContact O-N 3.49Å; F151-Y167 WeakPolarHBondContact CE1-OH 3.23Å
152	L	47.7	Very low	45	Very low	114 Å²	114	110.6 Å²	110.6	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-74.2	-27.8	177.2	-87.1	152.1	0	0	0	113	A148 D149 N154	A148-L152 PolarHBondContact O-N 2.82Å; D149-L152 PolarHBondContact O-N 3.46Å; L152-N154 PolarHBondContact O-N 2.93Å
153	I	44.8	Very low	45.4	Very low	140 Å²	140	108.9 Å²	108.9	72%	0.718	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-22.6	-174.4	-70.1	164	0	0	0	112.4	D149	D149-I153 WeakPolarHBondContact O-CG1 3.43Å; D149-I153 PolarHBondContact O-N 3.2Å
154	N	43.4	Very low	45.9	Very low	128 Å²	128	105 Å²	105	68%	0.684	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	73.4	-179.2	-159.4	22.3	0	0	0	111.5	L152 P156	L152-N154 PolarHBondContact O-N 2.93Å; N154-P156 WeakPolarHBondContact O-CD 3.33Å
155	K	44	Very low	46.4	Very low	168 Å²	168	105.5 Å²	105.5	73%	0.73	54%	0.544	S	S	*	.			trans	-58.5	107.3	165.4	-77.9	-171	-179.7	-176.2	0	107.8	K157	K155-K157 PolarHBondContact O-N 2.96Å
156	P	46.2	Very low	46.6	Very low	56 Å²	56	100.3 Å²	100.3	36%	0.364	53%	0.525	S	S	.	.			trans	-69.2	132.3	178.1	24.7	-19.7	0	0	0	107.4	N154 V158 L160	N154-P156 WeakPolarHBondContact O-CD 3.33Å; P156-V158 WeakPolarHBondContact CB-O 3.36Å; P156-V158 PolarHBondContact O-N 3.36Å; P156-V158 VanDerWaalsContact O-N 3.08Å; P156-L160 HydrophobicContact CG-CD1 3.31Å; P156-L160 HydrophobicContact CG-CD2 4.38Å; P156-L160 HydrophobicContact CG-CG 3.62Å
157	K	54.1	Low	47.4	Very low	218 Å²	218	102.2 Å²	102.2	95%	0.948	52%	0.524	S	S	*	.	S	Bend	trans	-59.8	-17.1	173.9	-76	-179.9	177.4	176.2	0	112.4	K155	K155-K157 PolarHBondContact O-N 2.96Å
158	V	46.9	Very low	48.1	Very low	69 Å²	69	99.2 Å²	99.2	42%	0.418	51%	0.505	S	S	.	.	S	Bend	trans	-108.3	131.5	178.3	-160.9	0	0	0	0	107.6	P156 L160 I162 V163	P156-V158 WeakPolarHBondContact CB-O 3.36Å; P156-V158 PolarHBondContact O-N 3.36Å; P156-V158 VanDerWaalsContact O-N 3.08Å; V158-L160 PolarHBondContact O-N 3.4Å; V158-I162 HydrophobicContact CG1-CB 4.14Å; V158-I162 HydrophobicContact CG1-CD1 4.08Å; V158-I162 HydrophobicContact CG1-CG2 4.27Å; V158-V163 HydrophobicContact CB-CG2 4.01Å; V158-V163 HydrophobicContact CG1-CG2 4.09Å
159	P	49.8	Very low	49	Very low	60 Å²	60	103 Å²	103	39%	0.39	52%	0.516	S	S	.	.			trans	-53.3	129.5	173.9	-23	30.1	0	0	0	111.2	W161 I162	P159-W161 HydrophobicContact CB-CD2 4.29Å; P159-W161 HydrophobicContact CB-CG 4.08Å; P159-W161 HydrophobicContact CB-CZ2 4.36Å; P159-W161 HydrophobicContact CG-CZ2 4.42Å; P159-W161 PolarHBondContact O-N 3.41Å; P159-W161 VanDerWaalsContact O-N 3.07Å; P159-I162 HydrophobicContact CB-CD1 4.43Å; P159-I162 HydrophobicContact CB-CG1 4.42Å; P159-I162 HydrophobicContact CG-CD1 4.17Å; P159-I162 WeakPolarHBondContact O-CB 3.2Å; P159-I162 PolarHBondContact O-N 2.85Å
160	L	49.7	Very low	49.8	Very low	60 Å²	60	103.1 Å²	103.1	31%	0.314	52%	0.519	S	S	.	.	H	α-helix	trans	-58.3	-25.4	-176.5	-77.6	111.9	0	0	0	113.3	P156 V158 I162 V163 N164 Y167	P156-L160 HydrophobicContact CG-CD1 3.31Å; P156-L160 HydrophobicContact CG-CD2 4.38Å; P156-L160 HydrophobicContact CG-CG 3.62Å; V158-L160 PolarHBondContact O-N 3.4Å; L160-I162 PolarHBondContact O-N 3.05Å; L160-V163 PolarHBondContact O-N 3.37Å; L160-N164 CarbonylContact O-C 3.41Å; L160-N164 PolarHBondContact O-N 3.33Å; L160-Y167 HydrophobicContact CD2-CD1 3.56Å; L160-Y167 HydrophobicContact CD2-CE1 3.56Å
161	W	46.7	Very low	50.5	Low	141 Å²	141	100.2 Å²	100.2	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-24.3	175.4	62.1	-98.8	0	0	0	113.5	P159 P165 Y168	P159-W161 HydrophobicContact CB-CD2 4.29Å; P159-W161 HydrophobicContact CB-CG 4.08Å; P159-W161 HydrophobicContact CB-CZ2 4.36Å; P159-W161 HydrophobicContact CG-CZ2 4.42Å; P159-W161 PolarHBondContact O-N 3.41Å; P159-W161 VanDerWaalsContact O-N 3.07Å; W161-P165 WeakPolarHBondContact O-CG 3.46Å; W161-Y168 HydrophobicContact CB-CD1 3.89Å; W161-Y168 HydrophobicContact CB-CD2 3.86Å; W161-Y168 HydrophobicContact CB-CE1 4.33Å; W161-Y168 HydrophobicContact CB-CE2 4.28Å; W161-Y168 HydrophobicContact CB-CG 3.62Å
162	I	50.9	Low	51.2	Low	95 Å²	95	98 Å²	98	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-79.1	-44.3	174.1	-59.1	179.6	0	0	0	110.2	V158 P159 L160	V158-I162 HydrophobicContact CG1-CB 4.14Å; V158-I162 HydrophobicContact CG1-CD1 4.08Å; V158-I162 HydrophobicContact CG1-CG2 4.27Å; P159-I162 HydrophobicContact CB-CD1 4.43Å; P159-I162 HydrophobicContact CB-CG1 4.42Å; P159-I162 HydrophobicContact CG-CD1 4.17Å; P159-I162 WeakPolarHBondContact O-CB 3.2Å; P159-I162 PolarHBondContact O-N 2.85Å; L160-I162 PolarHBondContact O-N 3.05Å
163	V	54	Low	51.9	Low	98 Å²	98	96.3 Å²	96.3	59%	0.594	48%	0.481	S	S	*	.	H	α-helix	trans	-77.1	-36	-172.3	-154.9	0	0	0	0	111.1	V158 L160	V158-V163 HydrophobicContact CB-CG2 4.01Å; V158-V163 HydrophobicContact CG1-CG2 4.09Å; L160-V163 PolarHBondContact O-N 3.37Å
164	N	50.6	Low	52.5	Low	91 Å²	91	93.9 Å²	93.9	49%	0.487	47%	0.473	S	S	.	.			trans	-156.5	88.2	-177.9	-143.8	1	0	0	0	111	L160 L166 Y167 Y168	L160-N164 CarbonylContact O-C 3.41Å; L160-N164 PolarHBondContact O-N 3.33Å; N164-L166 PolarHBondContact O-N 3.09Å; N164-Y167 PolarHBondContact O-N 2.95Å; N164-Y167 VanDerWaalsContact O-N 3.09Å; N164-Y168 PolarHBondContact O-N 3.28Å
165	P	51.8	Low	53.3	Low	79 Å²	79	91.8 Å²	91.8	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-55.9	-36.7	-177.7	-22.2	29.5	0	0	0	112.8	W161 Y168 M169	W161-P165 WeakPolarHBondContact O-CG 3.46Å; P165-Y168 PolarHBondContact O-N 3.13Å; P165-M169 VanDerWaalsContact O-CG 3.31Å; P165-M169 WeakPolarHBondContact O-CG 3.39Å; P165-M169 PolarHBondContact O-N 3.1Å
166	L	52	Low	54.1	Low	95 Å²	95	88.4 Å²	88.4	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-43.5	178.7	-119.6	72	0	0	0	112	N164 Y168 M169 V170	N164-L166 PolarHBondContact O-N 3.09Å; L166-Y168 VanDerWaalsContact C-N 3.34Å; L166-Y168 PolarHBondContact O-N 3.3Å; L166-M169 PolarHBondContact O-N 3.01Å; L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 2.96Å
167	Y	57	Low	54.2	Low	102 Å²	102	89.1 Å²	89.1	40%	0.4	45%	0.447	S	S	.	.	H	α-helix	trans	-62.4	-44.9	177.3	-177.1	-87.7	0	0	0	110.8	F151 L160 N164 M169 V170 E171	F151-Y167 WeakPolarHBondContact CE1-OH 3.23Å; L160-Y167 HydrophobicContact CD2-CD1 3.56Å; L160-Y167 HydrophobicContact CD2-CE1 3.56Å; N164-Y167 PolarHBondContact O-N 2.95Å; N164-Y167 VanDerWaalsContact O-N 3.09Å; Y167-M169 VanDerWaalsContact C-N 3.32Å; Y167-M169 PolarHBondContact O-N 3Å; Y167-V170 PolarHBondContact O-N 3.42Å; Y167-E171 HydrophobicContact CE1-CB 4.42Å; Y167-E171 WeakPolarHBondContact O-CB 3.49Å; Y167-E171 PolarHBondContact O-N 2.73Å
168	Y	55.2	Low	54	Low	61 Å²	61	80.5 Å²	80.5	24%	0.239	42%	0.42	C	S	.	.	H	α-helix	trans	-60.2	-42	177.1	-179.7	-97.3	0	0	0	112	W161 N164 P165 L166 E171 K172	W161-Y168 HydrophobicContact CB-CD1 3.89Å; W161-Y168 HydrophobicContact CB-CD2 3.86Å; W161-Y168 HydrophobicContact CB-CE1 4.33Å; W161-Y168 HydrophobicContact CB-CE2 4.28Å; W161-Y168 HydrophobicContact CB-CG 3.62Å; N164-Y168 PolarHBondContact O-N 3.28Å; P165-Y168 PolarHBondContact O-N 3.13Å; L166-Y168 VanDerWaalsContact C-N 3.34Å; L166-Y168 PolarHBondContact O-N 3.3Å; Y168-E171 PolarHBondContact O-N 2.83Å; Y168-K172 HydrophobicContact CD1-CG 4.23Å; Y168-K172 HydrophobicContact CE1-CG 3.86Å; Y168-K172 HydrophobicContact CE2-CG 4.3Å; Y168-K172 VanDerWaalsContact CZ-CE 3.48Å; Y168-K172 WeakPolarHBondContact O-CB 3.19Å; Y168-K172 VanDerWaalsContact O-CG 3.29Å; Y168-K172 WeakPolarHBondContact O-CG 3.46Å; Y168-K172 PolarHBondContact O-N 2.87Å; Y168-K172 VanDerWaalsContact OH-CE 3.31Å; Y168-K172 WeakPolarHBondContact OH-CE 3.41Å
169	M	57.1	Low	54.2	Low	130 Å²	130	85.2 Å²	85.2	64%	0.64	43%	0.431	S	S	*	.	H	α-helix	trans	-63.3	-44	176.4	-72.1	-65.8	-139.6	0	0	112.2	P165 L166 Y167 K172 F173	P165-M169 VanDerWaalsContact O-CG 3.31Å; P165-M169 WeakPolarHBondContact O-CG 3.39Å; P165-M169 PolarHBondContact O-N 3.1Å; L166-M169 PolarHBondContact O-N 3.01Å; Y167-M169 VanDerWaalsContact C-N 3.32Å; Y167-M169 PolarHBondContact O-N 3Å; M169-K172 PolarHBondContact O-N 2.7Å; M169-F173 WeakPolarHBondContact O-CB 3.42Å; M169-F173 PolarHBondContact O-N 3.48Å
170	V	55.9	Low	54.1	Low	71 Å²	71	86.9 Å²	86.9	43%	0.43	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-42.2	177	174.5	0	0	0	0	111	L166 Y167 K172 F173 V174	L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 2.96Å; Y167-V170 PolarHBondContact O-N 3.42Å; V170-K172 VanDerWaalsContact C-N 3.35Å; V170-K172 PolarHBondContact O-N 2.99Å; V170-F173 WeakPolarHBondContact O-CB 3.46Å; V170-F173 PolarHBondContact O-N 3.31Å; V170-V174 HydrophobicContact CG1-CG2 4.38Å; V170-V174 WeakPolarHBondContact O-CG2 3.29Å; V170-V174 PolarHBondContact O-N 3.4Å
171	E	56.8	Low	53.9	Low	39 Å²	39	90.6 Å²	90.6	18%	0.182	46%	0.456	C	S	.	.	H	α-helix	trans	-59.9	-45.8	176.3	-171.7	-169.5	162.3	0	0	111.2	Y167 Y168 F173 V174 Q175	Y167-E171 HydrophobicContact CE1-CB 4.42Å; Y167-E171 WeakPolarHBondContact O-CB 3.49Å; Y167-E171 PolarHBondContact O-N 2.73Å; Y168-E171 PolarHBondContact O-N 2.83Å; E171-F173 VanDerWaalsContact C-N 3.34Å; E171-V174 PolarHBondContact O-N 3.04Å; E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 2.78Å; E171-Q175 PolarHBondContact OE1-NE2 2.91Å
172	K	61.6	Low	53.9	Low	42 Å²	42	91.5 Å²	91.5	18%	0.183	47%	0.466	C	S	.	.	H	α-helix	trans	-64.9	-38.6	175.5	-68.9	-59.4	175.7	-166.3	0	112.2	Y168 M169 V170 Q175 I176	Y168-K172 HydrophobicContact CD1-CG 4.23Å; Y168-K172 HydrophobicContact CE1-CG 3.86Å; Y168-K172 HydrophobicContact CE2-CG 4.3Å; Y168-K172 VanDerWaalsContact CZ-CE 3.48Å; Y168-K172 WeakPolarHBondContact O-CB 3.19Å; Y168-K172 VanDerWaalsContact O-CG 3.29Å; Y168-K172 WeakPolarHBondContact O-CG 3.46Å; Y168-K172 PolarHBondContact O-N 2.87Å; Y168-K172 VanDerWaalsContact OH-CE 3.31Å; Y168-K172 WeakPolarHBondContact OH-CE 3.41Å; M169-K172 PolarHBondContact O-N 2.7Å; V170-K172 VanDerWaalsContact C-N 3.35Å; V170-K172 PolarHBondContact O-N 2.99Å; K172-Q175 PolarHBondContact O-N 3.16Å; K172-I176 WeakPolarHBondContact O-CB 3.3Å; K172-I176 WeakPolarHBondContact O-CD1 3.29Å; K172-I176 WeakPolarHBondContact O-CG1 3.05Å; K172-I176 PolarHBondContact O-N 2.89Å
173	F	60.7	Low	53.7	Low	79 Å²	79	90.7 Å²	90.7	35%	0.346	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-48.6	174.9	179.5	-99.6	0	0	0	111.7	M169 V170 E171 Q175 I176 M177	M169-F173 WeakPolarHBondContact O-CB 3.42Å; M169-F173 PolarHBondContact O-N 3.48Å; V170-F173 WeakPolarHBondContact O-CB 3.46Å; V170-F173 PolarHBondContact O-N 3.31Å; E171-F173 VanDerWaalsContact C-N 3.34Å; F173-Q175 VanDerWaalsContact C-N 3.31Å; F173-Q175 PolarHBondContact O-N 2.87Å; F173-I176 PolarHBondContact O-N 3.24Å; F173-M177 HydrophobicContact CD1-CG 4.02Å; F173-M177 HydrophobicContact CD2-CG 4.24Å; F173-M177 HydrophobicContact CE1-CG 3.6Å; F173-M177 HydrophobicContact CE2-CG 3.84Å; F173-M177 HydrophobicContact CE2-SD 4.02Å; F173-M177 HydrophobicContact CG-CG 4.33Å; F173-M177 HydrophobicContact CZ-CG 3.5Å; F173-M177 VanDerWaalsContact CZ-CG 3.5Å; F173-M177 HydrophobicContact CZ-SD 3.87Å; F173-M177 WeakPolarHBondContact O-CB 3.41Å; F173-M177 VanDerWaalsContact O-CG 3.29Å; F173-M177 WeakPolarHBondContact O-CG 3.46Å; F173-M177 PolarHBondContact O-N 2.78Å
174	V	58.5	Low	53.4	Low	90 Å²	90	94 Å²	94	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-38.6	178.4	174.4	0	0	0	0	111.3	V170 E171 M177 G178	V170-V174 HydrophobicContact CG1-CG2 4.38Å; V170-V174 WeakPolarHBondContact O-CG2 3.29Å; V170-V174 PolarHBondContact O-N 3.4Å; E171-V174 PolarHBondContact O-N 3.04Å; V174-M177 PolarHBondContact O-N 3.19Å; V174-G178 PolarHBondContact O-N 3.28Å
175	Q	60.9	Low	53.2	Low	84 Å²	84	95.6 Å²	95.6	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-47.1	173.5	-79.7	170.4	12.9	0	0	111.8	E171 K172 F173 M177 G178 Y179	E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 2.78Å; E171-Q175 PolarHBondContact OE1-NE2 2.91Å; K172-Q175 PolarHBondContact O-N 3.16Å; F173-Q175 VanDerWaalsContact C-N 3.31Å; F173-Q175 PolarHBondContact O-N 2.87Å; Q175-M177 VanDerWaalsContact C-N 3.35Å; Q175-M177 PolarHBondContact O-N 2.87Å; Q175-G178 PolarHBondContact O-N 3.28Å; Q175-Y179 WeakPolarHBondContact O-CD2 3.09Å; Q175-Y179 PolarHBondContact O-N 2.8Å
176	I	59.8	Low	52.6	Low	96 Å²	96	98.6 Å²	98.6	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-43.1	178.5	-68.4	162.5	0	0	0	110.6	K172 F173 Y179 L180	K172-I176 WeakPolarHBondContact O-CB 3.3Å; K172-I176 WeakPolarHBondContact O-CD1 3.29Å; K172-I176 WeakPolarHBondContact O-CG1 3.05Å; K172-I176 PolarHBondContact O-N 2.89Å; F173-I176 PolarHBondContact O-N 3.24Å; I176-Y179 PolarHBondContact O-N 2.95Å; I176-L180 HydrophobicContact CG2-CD1 3.75Å; I176-L180 HydrophobicContact CG2-CG 4.46Å; I176-L180 WeakPolarHBondContact O-CB 3.39Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 2.96Å; I176-L180 PolarHBondContact O-N 3.37Å
177	M	48.2	Very low	52.2	Low	72 Å²	72	100.3 Å²	100.3	36%	0.355	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-37.7	178	-69.5	-55.8	-60.1	0	0	112.5	F173 V174 Q175 L180 L181	F173-M177 HydrophobicContact CD1-CG 4.02Å; F173-M177 HydrophobicContact CD2-CG 4.24Å; F173-M177 HydrophobicContact CE1-CG 3.6Å; F173-M177 HydrophobicContact CE2-CG 3.84Å; F173-M177 HydrophobicContact CE2-SD 4.02Å; F173-M177 HydrophobicContact CG-CG 4.33Å; F173-M177 HydrophobicContact CZ-CG 3.5Å; F173-M177 VanDerWaalsContact CZ-CG 3.5Å; F173-M177 HydrophobicContact CZ-SD 3.87Å; F173-M177 WeakPolarHBondContact O-CB 3.41Å; F173-M177 VanDerWaalsContact O-CG 3.29Å; F173-M177 WeakPolarHBondContact O-CG 3.46Å; F173-M177 PolarHBondContact O-N 2.78Å; V174-M177 PolarHBondContact O-N 3.19Å; Q175-M177 VanDerWaalsContact C-N 3.35Å; Q175-M177 PolarHBondContact O-N 2.87Å; M177-L180 PolarHBondContact O-N 3.29Å; M177-L180 HydrophobicContact SD-CD1 4.02Å; M177-L181 HydrophobicContact CE-CD1 4.31Å; M177-L181 WeakPolarHBondContact O-CB 3.47Å; M177-L181 PolarHBondContact O-N 3.16Å
178	G	50.8	Low	51.4	Low	37 Å²	37	103.5 Å²	103.5	38%	0.381	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-46.2	173.2	0	0	0	0	0	111.2	V174 Q175 L180 L181 E182	V174-G178 PolarHBondContact O-N 3.28Å; Q175-G178 PolarHBondContact O-N 3.28Å; G178-L180 PolarHBondContact O-N 3.37Å; G178-L181 PolarHBondContact O-N 3.48Å; G178-E182 WeakPolarHBondContact O-CB 3.45Å; G178-E182 PolarHBondContact O-N 2.72Å
179	Y	49.8	Very low	50.6	Low	167 Å²	167	107.7 Å²	107.7	66%	0.655	56%	0.556	S	S	*	*	H	α-helix	trans	-64	-36.8	174.1	-96.1	-81.8	0	0	0	113.2	Q175 I176	Q175-Y179 WeakPolarHBondContact O-CD2 3.09Å; Q175-Y179 PolarHBondContact O-N 2.8Å; I176-Y179 PolarHBondContact O-N 2.95Å
180	L	47.8	Very low	49.8	Very low	96 Å²	96	107.7 Å²	107.7	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-71.2	-29	176.1	-78.3	162.4	0	0	0	113.1	I176 M177 G178	I176-L180 HydrophobicContact CG2-CD1 3.75Å; I176-L180 HydrophobicContact CG2-CG 4.46Å; I176-L180 WeakPolarHBondContact O-CB 3.39Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 2.96Å; I176-L180 PolarHBondContact O-N 3.37Å; M177-L180 PolarHBondContact O-N 3.29Å; M177-L180 HydrophobicContact SD-CD1 4.02Å; G178-L180 PolarHBondContact O-N 3.37Å
181	L	46.7	Very low	49	Very low	138 Å²	138	109.1 Å²	109.1	72%	0.723	56%	0.564	S	S	*	*	H	α-helix	trans	-85	-24.8	178.5	-108.4	93.1	0	0	0	113.2	M177 G178	M177-L181 HydrophobicContact CE-CD1 4.31Å; M177-L181 WeakPolarHBondContact O-CB 3.47Å; M177-L181 PolarHBondContact O-N 3.16Å; G178-L181 PolarHBondContact O-N 3.48Å
182	E	46.9	Very low	48.2	Very low	159 Å²	159	111.4 Å²	111.4	74%	0.743	58%	0.582	S	S	*	*	H	α-helix	trans	-77.3	-26.8	-175.6	-157.5	155.8	-152.3	0	0	112.3	G178	G178-E182 WeakPolarHBondContact O-CB 3.45Å; G178-E182 PolarHBondContact O-N 2.72Å
183	D	46	Very low	47.6	Very low	79 Å²	79	119 Å²	119	42%	0.422	62%	0.615	S	S	.	*			trans	-121.6	89.6	-176.1	-67.4	-33.3	0	0	0	111.7	D185	D183-D185 PolarHBondContact O-N 3.07Å
184	D	48.3	Very low	46.7	Very low	168 Å²	168	125.2 Å²	125.2	90%	0.898	64%	0.637	S	S	*	*	S	Bend	trans	-57.9	-14.8	154.6	-90.1	-32.3	0	0	0	111.2	T186	D184-T186 PolarHBondContact O-N 2.99Å
185	D	45.9	Very low	45.9	Very low	123 Å²	123	127.9 Å²	127.9	66%	0.658	64%	0.639	S	S	*	*	S	Bend	trans	-96.9	86.8	176	-67.5	-34.5	0	0	0	110.5	D183 L187	D183-D185 PolarHBondContact O-N 3.07Å; D185-L187 PolarHBondContact O-N 3.2Å
186	T	39.2	Very low	44.9	Very low	143 Å²	143	132.4 Å²	132.4	88%	0.877	65%	0.654	S	S	*	*			trans	-14.3	90.8	165	53	0	0	0	0	115.1	D184	D184-T186 PolarHBondContact O-N 2.99Å
187	L	43.4	Very low	43.7	Very low	130 Å²	130	134.2 Å²	134.2	68%	0.681	66%	0.664	S	S	*	*			trans	-123.3	129.5	173.6	-111	113.7	0	0	0	111.2	D185 L189	D185-L187 PolarHBondContact O-N 3.2Å; L187-L189 PolarHBondContact O-N 3.26Å
188	E	39.5	Very low	43.5	Very low	169 Å²	169	140 Å²	140	79%	0.79	69%	0.687	S	S	*	*			trans	-43.5	129.8	-179.7	-63.6	173.5	161.8	0	0	111.7	N190	E188-N190 VanDerWaalsContact C-N 3.29Å; E188-N190 PolarHBondContact O-N 3.33Å; E188-N190 PolarHBondContact O-ND2 3.35Å
189	L	38.7	Very low	43	Very low	150 Å²	150	142.6 Å²	142.6	79%	0.785	70%	0.7	S	S	*	*			trans	-52.1	87.3	177.7	-172.4	77.9	0	0	0	110.7	L187 L191	L187-L189 PolarHBondContact O-N 3.26Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 HydrophobicContact CD2-CD1 3.65Å; L189-L191 HydrophobicContact CD2-CG 4.43Å; L189-L191 HydrophobicContact CG-CD1 3.91Å; L189-L191 PolarHBondContact O-N 3.44Å
190	N	39.8	Very low	42.3	Very low	130 Å²	130	145.8 Å²	145.8	70%	0.695	73%	0.726	S	S	*	*			trans	-79	85.2	174.1	-84.8	-80.3	0	0	0	107.4	E188	E188-N190 VanDerWaalsContact C-N 3.29Å; E188-N190 PolarHBondContact O-N 3.33Å; E188-N190 PolarHBondContact O-ND2 3.35Å
191	L	40.6	Very low	42.1	Very low	101 Å²	101	148.3 Å²	148.3	53%	0.529	74%	0.737	S	S	.	*			trans	-52.7	134.1	170.8	-78.2	94.8	0	0	0	108.6	L189 K193 Y196	L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 HydrophobicContact CD2-CD1 3.65Å; L189-L191 HydrophobicContact CD2-CG 4.43Å; L189-L191 HydrophobicContact CG-CD1 3.91Å; L189-L191 PolarHBondContact O-N 3.44Å; L191-K193 PolarHBondContact O-N 3.29Å; L191-Y196 HydrophobicContact CD2-CE2 4.25Å
192	P	40	Very low	41.8	Very low	87 Å²	87	148.8 Å²	148.8	57%	0.565	74%	0.738	S	S	*	*			trans	-53.1	121	172.8	-22.4	30.2	0	0	0	109.2	Y194	P192-Y194 PolarHBondContact O-N 3.4Å
193	K	49	Very low	41.5	Very low	200 Å²	200	148.3 Å²	148.3	87%	0.87	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-11.5	178.7	-87.5	-177.7	177.6	176.7	0	114.1	L191	L191-K193 PolarHBondContact O-N 3.29Å
194	Y	42	Very low	41.3	Very low	210 Å²	210	152.4 Å²	152.4	82%	0.824	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	9.9	-166.8	-67.4	-72.4	0	0	0	116.1	P192	P192-Y194 PolarHBondContact O-N 3.4Å
195	Y	41.3	Very low	40.8	Very low	146 Å²	146	151.4 Å²	151.4	57%	0.573	75%	0.747	S	S	*	*	S	Bend	trans	-109.3	-2.9	-176	-104.4	-83.6	0	0	0	117.1
196	Y	38.4	Very low	40.5	Very low	180 Å²	180	153.3 Å²	153.3	71%	0.706	75%	0.753	S	S	*	*			trans	-104.2	90.5	164.8	-65.7	-78.9	0	0	0	108.2	L191 K198	L191-Y196 HydrophobicContact CD2-CE2 4.25Å; Y196-K198 VanDerWaalsContact C-N 3.26Å; Y196-K198 PolarHBondContact O-N 3.25Å
197	D	36	Very low	40.6	Very low	133 Å²	133	154 Å²	154	71%	0.711	74%	0.744	S	S	*	*			trans	-62.6	101.9	151.7	-159.2	-17.3	0	0	0	105.2	S199	D197-S199 PolarHBondContact O-N 3.12Å; D197-S199 WeakPolarHBondContact OD1-CB 3.39Å; D197-S199 PolarHBondContact OD1-OG 3.19Å
198	K	42.7	Very low	40.4	Very low	193 Å²	193	155.8 Å²	155.8	84%	0.839	75%	0.749	S	S	*	*			trans	-70.3	25.3	178.4	-72.7	-174.3	176.3	-173.1	0	112.1	Y196 I200	Y196-K198 VanDerWaalsContact C-N 3.26Å; Y196-K198 PolarHBondContact O-N 3.25Å; K198-I200 PolarHBondContact O-N 3.4Å
199	S	40.2	Very low	40.5	Very low	93 Å²	93	154.8 Å²	154.8	65%	0.65	75%	0.746	S	S	*	*			trans	-89.4	55.6	176.2	-56.1	0	0	0	0	109.9	D197	D197-S199 PolarHBondContact O-N 3.12Å; D197-S199 WeakPolarHBondContact OD1-CB 3.39Å; D197-S199 PolarHBondContact OD1-OG 3.19Å
200	I	37	Very low	40.6	Very low	234 Å²	234	155.2 Å²	155.2	100%	1.2	74%	0.742	S	S	*	*			trans	-140.4	0	160.6	-54.4	179.8	0	0	0	107.7	K198	K198-I200 PolarHBondContact O-N 3.4Å

Retrieved 200 of 200 residues in 103.1 ms (Link to these results)

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