A103_SCHMA Loading...

Antigen 10-3

AlphaFold DB , UniProt , Accession P13492, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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	37	Very low	45.6	Very low	180 Å²	180	78.7 Å²	78.7	89%	0.887	40%	0.395	S	S	*	.				0	130.7	0	-179.8	169.8	163.6	0	0	106.8	I3	M1-I3 PolarHBondContact O-N 3.04Å; M1-I3 VanDerWaalsContact O-N 3.1Å
2	N	36.5	Very low	46.1	Very low	125 Å²	125	74.8 Å²	74.8	67%	0.668	38%	0.378	S	S	*	.			trans	-64	116.5	-167.3	-87.3	-4.8	0	0	0	112.4	Y4 L5	N2-Y4 PolarHBondContact O-N 3.12Å; N2-Y4 VanDerWaalsContact O-N 3.15Å; N2-L5 WeakPolarHBondContact O-CB 3.28Å; N2-L5 PolarHBondContact O-N 2.98Å
3	I	39.9	Very low	46.5	Very low	47 Å²	47	72 Å²	72	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-50.4	-38.4	178.5	-108.8	64	0	0	0	112.7	M1 L5 I6 G7 M240 L243	M1-I3 PolarHBondContact O-N 3.04Å; M1-I3 VanDerWaalsContact O-N 3.1Å; I3-L5 PolarHBondContact O-N 3.35Å; I3-I6 WeakPolarHBondContact O-CG2 3.12Å; I3-I6 PolarHBondContact O-N 2.59Å; I3-G7 PolarHBondContact O-N 3.34Å; I3-G7 VanDerWaalsContact O-N 3.12Å; I3-M240 HydrophobicContact CG2-CE 3.56Å; I3-M240 HydrophobicContact CG2-SD 3.74Å; I3-L243 HydrophobicContact CD1-CB 4.15Å; I3-L243 HydrophobicContact CG1-CB 3.64Å; I3-L243 HydrophobicContact CG1-CD1 4.17Å; I3-L243 HydrophobicContact CG1-CG 4.4Å
4	Y	41	Very low	46.8	Very low	170 Å²	170	72.2 Å²	72.2	67%	0.667	38%	0.381	S	S	*	.	H	α-helix	trans	-59.3	-33.1	176.4	-60.4	-83.6	0	0	0	113.2	N2 I8	N2-Y4 PolarHBondContact O-N 3.12Å; N2-Y4 VanDerWaalsContact O-N 3.15Å; Y4-I8 WeakPolarHBondContact O-CB 3.44Å; Y4-I8 WeakPolarHBondContact O-CD1 3.35Å; Y4-I8 WeakPolarHBondContact O-CG1 3.46Å; Y4-I8 PolarHBondContact O-N 3.3Å
5	L	42.6	Very low	47	Very low	59 Å²	59	73.7 Å²	73.7	31%	0.309	39%	0.388	S	S	.	.	H	α-helix	trans	-74.9	-41.9	-176.6	-157.7	73.4	0	0	0	111.6	N2 I3 L9 F42	N2-L5 WeakPolarHBondContact O-CB 3.28Å; N2-L5 PolarHBondContact O-N 2.98Å; I3-L5 PolarHBondContact O-N 3.35Å; L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 PolarHBondContact O-N 2.75Å; L5-F42 HydrophobicContact CD1-CB 4.38Å
6	I	47.7	Very low	46.9	Very low	64 Å²	64	72.7 Å²	72.7	33%	0.328	38%	0.382	S	S	.	.	H	α-helix	trans	-71	-42.4	178.1	-161.1	69.5	0	0	0	111.2	I3 I8 L9 C10 L243	I3-I6 WeakPolarHBondContact O-CG2 3.12Å; I3-I6 PolarHBondContact O-N 2.59Å; I6-I8 VanDerWaalsContact C-N 3.25Å; I6-I8 PolarHBondContact O-N 2.96Å; I6-L9 PolarHBondContact O-N 3.38Å; I6-C10 PolarHBondContact O-N 2.92Å; I6-C10 PolarHBondContact O-SG 2.86Å; I6-C10 VanDerWaalsContact O-SG 3.4Å; I6-L243 HydrophobicContact CG2-CD1 3.86Å
7	G	47.4	Very low	46.9	Very low	3 Å²	3	73 Å²	73	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-34.9	176.6	0	0	0	0	0	113	I3 I11	I3-G7 PolarHBondContact O-N 3.34Å; I3-G7 VanDerWaalsContact O-N 3.12Å; G7-I11 WeakPolarHBondContact O-CG1 3.37Å; G7-I11 PolarHBondContact O-N 2.93Å
8	I	51.6	Low	46.6	Very low	42 Å²	42	75.3 Å²	75.3	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-84.3	-30.7	178.4	-56.7	162.9	0	0	0	112.2	Y4 I6 C10 I11 V12 F47 I51	Y4-I8 WeakPolarHBondContact O-CB 3.44Å; Y4-I8 WeakPolarHBondContact O-CD1 3.35Å; Y4-I8 WeakPolarHBondContact O-CG1 3.46Å; Y4-I8 PolarHBondContact O-N 3.3Å; I6-I8 VanDerWaalsContact C-N 3.25Å; I6-I8 PolarHBondContact O-N 2.96Å; I8-C10 PolarHBondContact O-N 3.35Å; I8-I11 PolarHBondContact O-N 2.78Å; I8-I11 VanDerWaalsContact O-N 3.16Å; I8-V12 HydrophobicContact CG2-CG2 4.2Å; I8-V12 WeakPolarHBondContact O-CG2 3.41Å; I8-V12 PolarHBondContact O-N 3.22Å; I8-F47 HydrophobicContact CB-CE2 4.21Å; I8-F47 HydrophobicContact CB-CZ 4.32Å; I8-F47 HydrophobicContact CD1-CE1 4.11Å; I8-F47 HydrophobicContact CD1-CE2 4.08Å; I8-F47 HydrophobicContact CD1-CZ 3.45Å; I8-F47 VanDerWaalsContact CD1-CZ 3.45Å; I8-F47 HydrophobicContact CG1-CZ 4.36Å; I8-F47 HydrophobicContact CG2-CE2 3.57Å; I8-F47 HydrophobicContact CG2-CZ 3.73Å; I8-I51 HydrophobicContact CG2-CD1 4.19Å
9	L	51.5	Low	46.2	Very low	52 Å²	52	74.2 Å²	74.2	27%	0.272	41%	0.407	S	S	.	.	H	α-helix	trans	-55.6	-43.1	167.1	-108.7	75.3	0	0	0	111.1	L5 I6 V12 G13 I37	L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 PolarHBondContact O-N 2.75Å; I6-L9 PolarHBondContact O-N 3.38Å; L9-V12 PolarHBondContact O-N 3.34Å; L9-G13 PolarHBondContact O-N 3.3Å; L9-I37 HydrophobicContact CD1-CG2 4.08Å; L9-I37 HydrophobicContact CD2-CG2 4.45Å
10	C	51.8	Low	45.6	Very low	57 Å²	57	75.4 Å²	75.4	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.8	-66	0	0	0	0	112.6	I6 I8 G13 L14	I6-C10 PolarHBondContact O-N 2.92Å; I6-C10 PolarHBondContact O-SG 2.86Å; I6-C10 VanDerWaalsContact O-SG 3.4Å; I8-C10 PolarHBondContact O-N 3.35Å; C10-G13 PolarHBondContact O-N 3.35Å; C10-L14 WeakPolarHBondContact O-CB 3.33Å; C10-L14 WeakPolarHBondContact O-CG 3.5Å; C10-L14 PolarHBondContact O-N 3.14Å
11	I	54.5	Low	44.9	Very low	67 Å²	67	77.3 Å²	77.3	34%	0.344	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-45.5	177.2	-68.6	165.5	0	0	0	111.1	G7 I8 L14 I15 F236	G7-I11 WeakPolarHBondContact O-CG1 3.37Å; G7-I11 PolarHBondContact O-N 2.93Å; I8-I11 PolarHBondContact O-N 2.78Å; I8-I11 VanDerWaalsContact O-N 3.16Å; I11-L14 PolarHBondContact O-N 3.12Å; I11-I15 HydrophobicContact CG2-CD1 3.81Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.5Å; I11-I15 PolarHBondContact O-N 3.36Å; I11-F236 HydrophobicContact CD1-CD2 3.96Å; I11-F236 HydrophobicContact CD1-CE2 3.95Å
12	V	51.9	Low	44.7	Very low	31 Å²	31	73 Å²	73	19%	0.188	43%	0.429	C	S	.	.	H	α-helix	trans	-64	-44.5	178.3	173.2	0	0	0	0	110.9	I8 L9 L14 I15 I16 I51 M54	I8-V12 HydrophobicContact CG2-CG2 4.2Å; I8-V12 WeakPolarHBondContact O-CG2 3.41Å; I8-V12 PolarHBondContact O-N 3.22Å; L9-V12 PolarHBondContact O-N 3.34Å; V12-L14 PolarHBondContact O-N 3.01Å; V12-I15 PolarHBondContact O-N 3.08Å; V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 WeakPolarHBondContact O-CD1 3.16Å; V12-I16 WeakPolarHBondContact O-CG1 3.26Å; V12-I16 PolarHBondContact O-N 3.28Å; V12-I51 HydrophobicContact CG2-CD1 4.08Å; V12-M54 HydrophobicContact CG1-CE 3.98Å; V12-M54 HydrophobicContact CG1-SD 4.33Å; V12-M54 HydrophobicContact CG2-CE 3.83Å
13	G	51.2	Low	44.5	Very low	39 Å²	39	74 Å²	74	40%	0.402	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-39.3	175.5	0	0	0	0	0	113.5	L9 C10 I16 S17	L9-G13 PolarHBondContact O-N 3.3Å; C10-G13 PolarHBondContact O-N 3.35Å; G13-I16 PolarHBondContact O-N 3.24Å; G13-S17 WeakPolarHBondContact O-CB 3.41Å; G13-S17 PolarHBondContact O-N 3.35Å
14	L	51	Low	44.1	Very low	75 Å²	75	76 Å²	76	39%	0.393	47%	0.466	S	S	.	.	H	α-helix	trans	-67.8	-39.1	175.7	-85.8	162.3	0	0	0	112.9	C10 I11 V12 I16 S17 Q18 M232	C10-L14 WeakPolarHBondContact O-CB 3.33Å; C10-L14 WeakPolarHBondContact O-CG 3.5Å; C10-L14 PolarHBondContact O-N 3.14Å; I11-L14 PolarHBondContact O-N 3.12Å; V12-L14 PolarHBondContact O-N 3.01Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-S17 PolarHBondContact O-N 2.91Å; L14-Q18 PolarHBondContact O-N 3.41Å; L14-M232 HydrophobicContact CD1-CG 4.47Å
15	I	49.7	Very low	43.8	Very low	95 Å²	95	72.7 Å²	72.7	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-40.7	175.3	-69.6	165.7	0	0	0	110.8	I11 V12 G19	I11-I15 HydrophobicContact CG2-CD1 3.81Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.5Å; I11-I15 PolarHBondContact O-N 3.36Å; V12-I15 PolarHBondContact O-N 3.08Å; I15-G19 PolarHBondContact O-N 2.91Å; I15-G19 VanDerWaalsContact O-N 3.07Å
16	I	45.7	Very low	43.5	Very low	57 Å²	57	76 Å²	76	29%	0.292	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-45.4	174.9	-65.5	162.3	0	0	0	110.5	V12 G13 L14 Q18 G19 S20 F31	V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 WeakPolarHBondContact O-CD1 3.16Å; V12-I16 WeakPolarHBondContact O-CG1 3.26Å; V12-I16 PolarHBondContact O-N 3.28Å; G13-I16 PolarHBondContact O-N 3.24Å; L14-I16 VanDerWaalsContact C-N 3.35Å; I16-Q18 PolarHBondContact O-N 3.4Å; I16-G19 WeakPolarHBondContact O-CA 3.46Å; I16-G19 PolarHBondContact O-N 3.4Å; I16-S20 PolarHBondContact O-N 3.46Å; I16-F31 HydrophobicContact CD1-CD1 3.58Å; I16-F31 HydrophobicContact CD1-CE1 3.64Å; I16-F31 HydrophobicContact CD1-CG 4.46Å; I16-F31 HydrophobicContact CG1-CE1 4.42Å
17	S	46.9	Very low	42.9	Very low	78 Å²	78	77.5 Å²	77.5	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-57.6	-45.2	178.5	-175.6	0	0	0	0	112.6	G13 L14 G19 S20	G13-S17 WeakPolarHBondContact O-CB 3.41Å; G13-S17 PolarHBondContact O-N 3.35Å; L14-S17 PolarHBondContact O-N 2.91Å; S17-G19 VanDerWaalsContact C-N 3.29Å; S17-G19 PolarHBondContact O-N 3.03Å; S17-S20 PolarHBondContact O-N 3.46Å
18	Q	41.8	Very low	42.5	Very low	115 Å²	115	80.5 Å²	80.5	54%	0.537	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.2	176.2	-61.3	-164.6	6.3	0	0	114.2	L14 I16	L14-Q18 PolarHBondContact O-N 3.41Å; I16-Q18 PolarHBondContact O-N 3.4Å
19	G	38.1	Very low	42	Very low	53 Å²	53	84.8 Å²	84.8	55%	0.546	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.5	168.1	0	0	0	0	0	113.8	I15 I16 S17 T21	I15-G19 PolarHBondContact O-N 2.91Å; I15-G19 VanDerWaalsContact O-N 3.07Å; I16-G19 WeakPolarHBondContact O-CA 3.46Å; I16-G19 PolarHBondContact O-N 3.4Å; S17-G19 VanDerWaalsContact C-N 3.29Å; S17-G19 PolarHBondContact O-N 3.03Å; G19-T21 VanDerWaalsContact C-N 3.31Å; G19-T21 PolarHBondContact O-N 3.38Å
20	S	33.9	Very low	41.3	Very low	98 Å²	98	91.3 Å²	91.3	69%	0.685	56%	0.56	S	S	*	*	S	Bend	trans	-84	10.6	-166	-151.9	0	0	0	0	115.6	I16 S17	I16-S20 PolarHBondContact O-N 3.46Å; S17-S20 PolarHBondContact O-N 3.46Å
21	T	30.7	Very low	40.7	Very low	117 Å²	117	92.2 Å²	92.2	72%	0.718	56%	0.558	S	S	*	*	S	Bend	trans	-125.4	78.4	-172.8	59.9	0	0	0	0	113.1	G19	G19-T21 VanDerWaalsContact C-N 3.31Å; G19-T21 PolarHBondContact O-N 3.38Å
22	A	33.7	Very low	39.9	Very low	90 Å²	90	95.2 Å²	95.2	74%	0.744	58%	0.575	S	S	*	*	S	Bend	trans	-165.2	-54.6	156.5	0	0	0	0	0	113.1
23	N	32.8	Very low	39.2	Very low	146 Å²	146	97.9 Å²	97.9	78%	0.781	59%	0.588	S	S	*	*	S	Bend	trans	-139.2	133.5	-173	-71.9	-64.2	0	0	0	110.4	S25	N23-S25 VanDerWaalsContact C-N 3.28Å; N23-S25 PolarHBondContact O-N 2.92Å
24	G	31	Very low	38.4	Very low	89 Å²	89	99.5 Å²	99.5	92%	0.918	59%	0.59	S	S	*	*			trans	-78.1	56.6	-170	0	0	0	0	0	115.7
25	S	33.8	Very low	37.6	Very low	100 Å²	100	102.3 Å²	102.3	70%	0.699	61%	0.605	S	S	*	*			trans	-82.7	128.4	166.5	-63.5	0	0	0	0	109.8	N23 L27	N23-S25 VanDerWaalsContact C-N 3.28Å; N23-S25 PolarHBondContact O-N 2.92Å; S25-L27 PolarHBondContact O-N 2.85Å; S25-L27 VanDerWaalsContact O-N 3.14Å
26	P	36.6	Very low	36.9	Very low	127 Å²	127	100.1 Å²	100.1	83%	0.825	60%	0.596	S	S	*	*			trans	-65.5	115.9	175.3	26.5	-32.8	0	0	0	110	D28	P26-D28 PolarHBondContact O-N 3.4Å
27	L	36.3	Very low	36.4	Very low	97 Å²	97	100.3 Å²	100.3	51%	0.508	60%	0.597	S	S	.	*			trans	-68.3	119.5	166.7	-98.7	163.5	0	0	0	108	S25 F31	S25-L27 PolarHBondContact O-N 2.85Å; S25-L27 VanDerWaalsContact O-N 3.14Å; L27-F31 HydrophobicContact CD2-CD2 4.43Å; L27-F31 HydrophobicContact CD2-CE2 4.17Å
28	D	38.7	Very low	35.9	Very low	66 Å²	66	101.1 Å²	101.1	35%	0.353	60%	0.595	S	S	.	*			trans	-33.8	141.8	-171.1	-60.5	-79.2	0	0	0	115.3	P26 R30 F31	P26-D28 PolarHBondContact O-N 3.4Å; D28-R30 HydrophobicContact CB-CB 4.04Å; D28-R30 HydrophobicContact CB-CG 4.08Å; D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 IonicContact OD1-CZ 3.63Å; D28-R30 IonicContact OD1-NE 3.06Å; D28-R30 IonicContact OD1-NH2 2.96Å; D28-R30 PolarHBondContact OD1-NH2 3.12Å; D28-R30 IonicContact OD2-CZ 3.46Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.41Å; D28-R30 IonicContact OD2-NH2 2.75Å; D28-R30 PolarHBondContact OD2-NH2 2.68Å; D28-F31 PolarHBondContact O-N 2.89Å
29	D	39.7	Very low	35.4	Very low	132 Å²	132	104.6 Å²	104.6	71%	0.706	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-51.3	-15	173.2	-70.3	-69.1	0	0	0	115.2	F31 N32	D29-F31 PolarHBondContact O-N 3.3Å; D29-N32 PolarHBondContact O-N 3.14Å; D29-N32 PolarHBondContact OD1-ND2 3.33Å; D29-N32 VanDerWaalsContact OD1-ND2 3.12Å
30	R	37.9	Very low	35.3	Very low	189 Å²	189	108.7 Å²	108.7	71%	0.713	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-48.7	-22.8	164.9	-64.9	-173.3	-89	-124.3	2.2	113.9	D28	D28-R30 HydrophobicContact CB-CB 4.04Å; D28-R30 HydrophobicContact CB-CG 4.08Å; D28-R30 PolarHBondContact O-N 3.22Å; D28-R30 IonicContact OD1-CZ 3.63Å; D28-R30 IonicContact OD1-NE 3.06Å; D28-R30 IonicContact OD1-NH2 2.96Å; D28-R30 PolarHBondContact OD1-NH2 3.12Å; D28-R30 IonicContact OD2-CZ 3.46Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.41Å; D28-R30 IonicContact OD2-NH2 2.75Å; D28-R30 PolarHBondContact OD2-NH2 2.68Å
31	F	39.2	Very low	35.3	Very low	75 Å²	75	113.3 Å²	113.3	33%	0.329	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-96.1	-7.7	176.9	-70.5	-74.3	0	0	0	115.3	I16 L27 D28 D29 D33 M54	I16-F31 HydrophobicContact CD1-CD1 3.58Å; I16-F31 HydrophobicContact CD1-CE1 3.64Å; I16-F31 HydrophobicContact CD1-CG 4.46Å; I16-F31 HydrophobicContact CG1-CE1 4.42Å; L27-F31 HydrophobicContact CD2-CD2 4.43Å; L27-F31 HydrophobicContact CD2-CE2 4.17Å; D28-F31 PolarHBondContact O-N 2.89Å; D29-F31 PolarHBondContact O-N 3.3Å; F31-D33 PolarHBondContact O-N 3.01Å; F31-M54 HydrophobicContact CE1-SD 4.37Å; F31-M54 HydrophobicContact CZ-SD 4.39Å
32	N	38.7	Very low	35.8	Very low	131 Å²	131	110.8 Å²	110.8	70%	0.701	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-14.1	172.1	-79.5	-40.1	0	0	0	112.5	D29 V34	D29-N32 PolarHBondContact O-N 3.14Å; D29-N32 PolarHBondContact OD1-ND2 3.33Å; D29-N32 VanDerWaalsContact OD1-ND2 3.12Å; N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 3.03Å
33	D	35.5	Very low	36.1	Very low	86 Å²	86	110.4 Å²	110.4	46%	0.46	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	22	-171.8	-147.8	28.3	0	0	0	114.5	F31 N35 T36 I37	F31-D33 PolarHBondContact O-N 3.01Å; D33-N35 PolarHBondContact O-N 3.42Å; D33-T36 VanDerWaalsContact CG-OG1 3.3Å; D33-T36 WeakPolarHBondContact O-CA 3.47Å; D33-T36 WeakPolarHBondContact O-CB 3.32Å; D33-T36 PolarHBondContact O-N 2.98Å; D33-T36 WeakPolarHBondContact OD1-CB 3.44Å; D33-T36 PolarHBondContact OD1-OG1 3.37Å; D33-T36 VanDerWaalsContact OD2-CB 3.28Å; D33-T36 WeakPolarHBondContact OD2-CB 3.41Å; D33-T36 WeakPolarHBondContact OD2-CG2 3.4Å; D33-I37 PolarHBondContact O-N 2.93Å; D33-I37 VanDerWaalsContact O-N 3.12Å
34	V	35.4	Very low	36.4	Very low	74 Å²	74	111.4 Å²	111.4	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-58.4	-31.8	177.7	173.8	0	0	0	0	112.3	N32 T36 I37 N38	N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 3.03Å; V34-T36 PolarHBondContact O-N 3.48Å; V34-I37 HydrophobicContact CG2-CD1 4.47Å; V34-I37 PolarHBondContact O-N 3.26Å; V34-N38 PolarHBondContact O-N 2.99Å
35	N	34	Very low	37.1	Very low	134 Å²	134	113.3 Å²	113.3	72%	0.717	58%	0.575	S	S	*	*	H	α-helix	trans	-65.7	-22.8	172.2	-93.5	-24.8	0	0	0	113.7	D33	D33-N35 PolarHBondContact O-N 3.42Å
36	T	34.5	Very low	37.7	Very low	49 Å²	49	113 Å²	113	30%	0.301	56%	0.562	S	S	.	*	H	α-helix	trans	-89.5	-30.6	176.4	-60.2	0	0	0	0	111.9	D33 V34 N38 K39	D33-T36 VanDerWaalsContact CG-OG1 3.3Å; D33-T36 WeakPolarHBondContact O-CA 3.47Å; D33-T36 WeakPolarHBondContact O-CB 3.32Å; D33-T36 PolarHBondContact O-N 2.98Å; D33-T36 WeakPolarHBondContact OD1-CB 3.44Å; D33-T36 PolarHBondContact OD1-OG1 3.37Å; D33-T36 VanDerWaalsContact OD2-CB 3.28Å; D33-T36 WeakPolarHBondContact OD2-CB 3.41Å; D33-T36 WeakPolarHBondContact OD2-CG2 3.4Å; V34-T36 PolarHBondContact O-N 3.48Å; T36-N38 PolarHBondContact O-N 2.93Å; T36-K39 PolarHBondContact O-N 2.93Å; T36-K39 VanDerWaalsContact O-N 3.08Å
37	I	36.3	Very low	38	Very low	60 Å²	60	109.3 Å²	109.3	31%	0.308	53%	0.534	S	S	.	.	H	α-helix	trans	-55.2	-39.5	168.4	-60.2	177.3	0	0	0	110	L9 D33 V34 K39 K40 F42	L9-I37 HydrophobicContact CD1-CG2 4.08Å; L9-I37 HydrophobicContact CD2-CG2 4.45Å; D33-I37 PolarHBondContact O-N 2.93Å; D33-I37 VanDerWaalsContact O-N 3.12Å; V34-I37 HydrophobicContact CG2-CD1 4.47Å; V34-I37 PolarHBondContact O-N 3.26Å; I37-K39 PolarHBondContact O-N 3.27Å; I37-K40 PolarHBondContact O-N 2.87Å; I37-F42 HydrophobicContact CG2-CD2 4.49Å; I37-F42 HydrophobicContact CG2-CE2 4.31Å
38	N	35.5	Very low	38.3	Very low	95 Å²	95	107 Å²	107	51%	0.508	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-6.6	178.2	-120.1	-12.5	0	0	0	115.4	V34 T36	V34-N38 PolarHBondContact O-N 2.99Å; T36-N38 PolarHBondContact O-N 2.93Å
39	K	32.4	Very low	39	Very low	188 Å²	188	111 Å²	111	82%	0.817	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-2.3	-178.9	-69.6	-175.6	178.6	177.3	0	115	T36 I37	T36-K39 PolarHBondContact O-N 2.93Å; T36-K39 VanDerWaalsContact O-N 3.08Å; I37-K39 PolarHBondContact O-N 3.27Å
40	K	34	Very low	39.5	Very low	140 Å²	140	107.9 Å²	107.9	61%	0.609	52%	0.519	S	S	*	.	S	Bend	trans	-111.5	124.5	176.2	-72.4	178.8	179.1	171.7	0	110	I37 F42	I37-K40 PolarHBondContact O-N 2.87Å; K40-F42 PolarHBondContact O-N 3.44Å
41	Q	35.5	Very low	40	Very low	195 Å²	195	100.8 Å²	100.8	91%	0.911	50%	0.495	S	S	*	.			trans	-66.6	97.4	165.9	-69.6	-172.3	9.3	0	0	108.7	T43	Q41-T43 PolarHBondContact O-N 3.05Å
42	F	40.2	Very low	40.4	Very low	64 Å²	64	100.6 Å²	100.6	28%	0.281	50%	0.497	S	S	.	.			trans	-61.5	121.3	167.2	-100.1	-94.9	0	0	0	108.9	L5 I37 K40 E46 F47 L50	L5-F42 HydrophobicContact CD1-CB 4.38Å; I37-F42 HydrophobicContact CG2-CD2 4.49Å; I37-F42 HydrophobicContact CG2-CE2 4.31Å; K40-F42 PolarHBondContact O-N 3.44Å; F42-E46 HydrophobicContact CD1-CB 3.61Å; F42-E46 HydrophobicContact CE1-CB 3.95Å; F42-F47 HydrophobicContact CB-CB 4.42Å; F42-F47 HydrophobicContact CD1-CB 4.25Å; F42-L50 HydrophobicContact CE1-CD2 4.07Å; F42-L50 HydrophobicContact CZ-CD2 4.15Å
43	T	40.5	Very low	41.1	Very low	81 Å²	81	97.5 Å²	97.5	50%	0.497	49%	0.485	S	S	.	.			trans	-69.8	155.7	168.6	58.3	0	0	0	0	109.7	Q41 E45 E46 F47	Q41-T43 PolarHBondContact O-N 3.05Å; T43-E45 PolarHBondContact O-N 2.91Å; T43-E45 VanDerWaalsContact O-N 3.12Å; T43-E46 PolarHBondContact O-N 3.43Å; T43-E46 VanDerWaalsContact O-N 3.14Å; T43-E46 WeakPolarHBondContact OG1-CG 3.29Å; T43-E46 PolarHBondContact OG1-N 2.89Å; T43-F47 VanDerWaalsContact O-CB 3.32Å; T43-F47 WeakPolarHBondContact O-CB 3.48Å; T43-F47 PolarHBondContact O-N 3Å
44	E	39.9	Very low	41.6	Very low	168 Å²	168	95.8 Å²	95.8	79%	0.785	48%	0.475	S	S	*	.	H	α-helix	trans	-54.8	-32.2	177.6	-169.3	-179.4	170.9	0	0	112	S48	E44-S48 WeakPolarHBondContact O-CB 3.36Å; E44-S48 PolarHBondContact O-N 3.07Å; E44-S48 PolarHBondContact O-OG 3.49Å
45	E	43.8	Very low	42.2	Very low	129 Å²	129	94.9 Å²	94.9	60%	0.603	47%	0.467	S	S	*	.	H	α-helix	trans	-70.1	-50.6	174	-69.3	-164.3	-160.3	0	0	113.8	T43 F47 S48 R49	T43-E45 PolarHBondContact O-N 2.91Å; T43-E45 VanDerWaalsContact O-N 3.12Å; E45-F47 VanDerWaalsContact C-N 3.27Å; E45-F47 PolarHBondContact O-N 3.32Å; E45-S48 PolarHBondContact O-N 3.46Å; E45-R49 VanDerWaalsContact O-CG 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.13Å; E45-R49 PolarHBondContact O-N 3.36Å; E45-R49 IonicContact OE2-NH2 3.54Å; E45-R49 PolarHBondContact OE2-NH2 3Å
46	E	46.5	Very low	43	Very low	92 Å²	92	93.9 Å²	93.9	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-59.7	-42.8	177.8	-75.6	-75	97	0	0	110.5	F42 T43 R49 L50	F42-E46 HydrophobicContact CD1-CB 3.61Å; F42-E46 HydrophobicContact CE1-CB 3.95Å; T43-E46 PolarHBondContact O-N 3.43Å; T43-E46 VanDerWaalsContact O-N 3.14Å; T43-E46 WeakPolarHBondContact OG1-CG 3.29Å; T43-E46 PolarHBondContact OG1-N 2.89Å; E46-R49 PolarHBondContact O-N 3.16Å; E46-R49 IonicContact OE1-NH1 3.38Å; E46-L50 PolarHBondContact O-N 3.27Å
47	F	42.7	Very low	43.7	Very low	51 Å²	51	96.9 Å²	96.9	22%	0.224	47%	0.466	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.9	169	-99.3	0	0	0	111.4	I8 F42 T43 E45 R49 L50 I51	I8-F47 HydrophobicContact CB-CE2 4.21Å; I8-F47 HydrophobicContact CB-CZ 4.32Å; I8-F47 HydrophobicContact CD1-CE1 4.11Å; I8-F47 HydrophobicContact CD1-CE2 4.08Å; I8-F47 HydrophobicContact CD1-CZ 3.45Å; I8-F47 VanDerWaalsContact CD1-CZ 3.45Å; I8-F47 HydrophobicContact CG1-CZ 4.36Å; I8-F47 HydrophobicContact CG2-CE2 3.57Å; I8-F47 HydrophobicContact CG2-CZ 3.73Å; F42-F47 HydrophobicContact CB-CB 4.42Å; F42-F47 HydrophobicContact CD1-CB 4.25Å; T43-F47 VanDerWaalsContact O-CB 3.32Å; T43-F47 WeakPolarHBondContact O-CB 3.48Å; T43-F47 PolarHBondContact O-N 3Å; E45-F47 VanDerWaalsContact C-N 3.27Å; E45-F47 PolarHBondContact O-N 3.32Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.28Å; F47-L50 PolarHBondContact O-N 3.21Å; F47-I51 HydrophobicContact CD2-CG1 4.13Å; F47-I51 HydrophobicContact CE1-CG1 4.01Å; F47-I51 HydrophobicContact CE2-CD1 3.89Å; F47-I51 HydrophobicContact CE2-CG1 3.47Å; F47-I51 VanDerWaalsContact CE2-CG1 3.47Å; F47-I51 HydrophobicContact CZ-CD1 4.02Å; F47-I51 HydrophobicContact CZ-CG1 3.38Å; F47-I51 WeakPolarHBondContact O-CG1 3.41Å; F47-I51 PolarHBondContact O-N 3.12Å
48	S	44	Very low	44	Very low	48 Å²	48	99.1 Å²	99.1	34%	0.336	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-38.7	175.2	-67	0	0	0	0	112	E44 E45 N52	E44-S48 WeakPolarHBondContact O-CB 3.36Å; E44-S48 PolarHBondContact O-N 3.07Å; E44-S48 PolarHBondContact O-OG 3.49Å; E45-S48 PolarHBondContact O-N 3.46Å; S48-N52 VanDerWaalsContact O-CB 3.29Å; S48-N52 WeakPolarHBondContact O-CB 3.38Å; S48-N52 PolarHBondContact O-N 3.4Å; S48-N52 PolarHBondContact O-ND2 3.42Å
49	R	53.5	Low	44.3	Very low	149 Å²	149	96.6 Å²	96.6	56%	0.562	46%	0.457	S	S	*	.	H	α-helix	trans	-63.7	-45.5	175.7	-70.9	167.9	-170.2	-164.9	3.6	111.2	E45 E46 F47 N52 S53	E45-R49 VanDerWaalsContact O-CG 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.13Å; E45-R49 PolarHBondContact O-N 3.36Å; E45-R49 IonicContact OE2-NH2 3.54Å; E45-R49 PolarHBondContact OE2-NH2 3Å; E46-R49 PolarHBondContact O-N 3.16Å; E46-R49 IonicContact OE1-NH1 3.38Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.28Å; R49-N52 PolarHBondContact O-N 3.37Å; R49-S53 WeakPolarHBondContact O-CB 3.4Å; R49-S53 PolarHBondContact O-N 3.07Å; R49-S53 PolarHBondContact O-OG 3.22Å
50	L	49.6	Very low	44.9	Very low	67 Å²	67	93.4 Å²	93.4	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-46.4	178.9	-179	60.9	0	0	0	112.3	F42 E46 F47 S53 M54	F42-L50 HydrophobicContact CE1-CD2 4.07Å; F42-L50 HydrophobicContact CZ-CD2 4.15Å; E46-L50 PolarHBondContact O-N 3.27Å; F47-L50 PolarHBondContact O-N 3.21Å; L50-S53 PolarHBondContact O-N 3.1Å; L50-S53 PolarHBondContact O-OG 2.94Å; L50-M54 HydrophobicContact CD1-CE 4.46Å; L50-M54 HydrophobicContact CD1-CG 4.34Å; L50-M54 HydrophobicContact CD1-SD 4.3Å; L50-M54 HydrophobicContact CG-CE 4.1Å; L50-M54 WeakPolarHBondContact O-CG 3.5Å; L50-M54 PolarHBondContact O-N 2.61Å
51	I	47.5	Very low	45.3	Very low	41 Å²	41	92.4 Å²	92.4	21%	0.21	45%	0.447	C	S	.	.	H	α-helix	trans	-65	-42.8	177.1	-68.6	-61.7	0	0	0	111.4	I8 V12 F47 S53 M54 L55	I8-I51 HydrophobicContact CG2-CD1 4.19Å; V12-I51 HydrophobicContact CG2-CD1 4.08Å; F47-I51 HydrophobicContact CD2-CG1 4.13Å; F47-I51 HydrophobicContact CE1-CG1 4.01Å; F47-I51 HydrophobicContact CE2-CD1 3.89Å; F47-I51 HydrophobicContact CE2-CG1 3.47Å; F47-I51 VanDerWaalsContact CE2-CG1 3.47Å; F47-I51 HydrophobicContact CZ-CD1 4.02Å; F47-I51 HydrophobicContact CZ-CG1 3.38Å; F47-I51 WeakPolarHBondContact O-CG1 3.41Å; F47-I51 PolarHBondContact O-N 3.12Å; I51-S53 PolarHBondContact O-N 3.15Å; I51-M54 HydrophobicContact CD1-CE 3.94Å; I51-L55 HydrophobicContact CG2-CD1 3.68Å; I51-L55 VanDerWaalsContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CB 3.46Å; I51-L55 PolarHBondContact O-N 2.99Å
52	N	49	Very low	45.6	Very low	71 Å²	71	89 Å²	89	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-65.7	-35.5	176.7	-79.9	-71.6	0	0	0	112.4	S48 R49 K56 I68	S48-N52 VanDerWaalsContact O-CB 3.29Å; S48-N52 WeakPolarHBondContact O-CB 3.38Å; S48-N52 PolarHBondContact O-N 3.4Å; S48-N52 PolarHBondContact O-ND2 3.42Å; R49-N52 PolarHBondContact O-N 3.37Å; N52-K56 WeakPolarHBondContact O-CB 3.29Å; N52-K56 PolarHBondContact O-N 2.99Å; N52-I68 VanDerWaalsContact OD1-CD1 3.3Å; N52-I68 WeakPolarHBondContact OD1-CD1 3.21Å
53	S	52.8	Low	45.5	Very low	65 Å²	65	93.4 Å²	93.4	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-71.5	-43.5	178	70.1	0	0	0	0	112.3	R49 L50 I51 K56 K57	R49-S53 WeakPolarHBondContact O-CB 3.4Å; R49-S53 PolarHBondContact O-N 3.07Å; R49-S53 PolarHBondContact O-OG 3.22Å; L50-S53 PolarHBondContact O-N 3.1Å; L50-S53 PolarHBondContact O-OG 2.94Å; I51-S53 PolarHBondContact O-N 3.15Å; S53-K56 PolarHBondContact O-N 3.44Å; S53-K57 PolarHBondContact O-N 2.98Å
54	M	46.4	Very low	45.2	Very low	51 Å²	51	92.6 Å²	92.6	25%	0.251	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-44.3	176.1	-68.2	-168.5	-56	0	0	112	V12 F31 L50 I51 K57 Y58	V12-M54 HydrophobicContact CG1-CE 3.98Å; V12-M54 HydrophobicContact CG1-SD 4.33Å; V12-M54 HydrophobicContact CG2-CE 3.83Å; F31-M54 HydrophobicContact CE1-SD 4.37Å; F31-M54 HydrophobicContact CZ-SD 4.39Å; L50-M54 HydrophobicContact CD1-CE 4.46Å; L50-M54 HydrophobicContact CD1-CG 4.34Å; L50-M54 HydrophobicContact CD1-SD 4.3Å; L50-M54 HydrophobicContact CG-CE 4.1Å; L50-M54 WeakPolarHBondContact O-CG 3.5Å; L50-M54 PolarHBondContact O-N 2.61Å; I51-M54 HydrophobicContact CD1-CE 3.94Å; M54-K57 PolarHBondContact O-N 3.42Å; M54-Y58 WeakPolarHBondContact O-CB 3.4Å; M54-Y58 PolarHBondContact O-N 2.58Å
55	L	47	Very low	44.7	Very low	54 Å²	54	90 Å²	90	28%	0.283	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.7	-81	165.4	0	0	0	111.6	I51 K57 Y58 I59 I66 I68	I51-L55 HydrophobicContact CG2-CD1 3.68Å; I51-L55 VanDerWaalsContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CB 3.46Å; I51-L55 PolarHBondContact O-N 2.99Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.36Å; L55-Y58 PolarHBondContact O-N 2.74Å; L55-I59 HydrophobicContact CB-CD1 4.47Å; L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 VanDerWaalsContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.29Å; L55-I59 PolarHBondContact O-N 3.41Å; L55-I66 HydrophobicContact CD2-CD1 4.4Å; L55-I68 HydrophobicContact CB-CD1 3.71Å; L55-I68 HydrophobicContact CD1-CD1 3.56Å; L55-I68 HydrophobicContact CD1-CG1 4.11Å; L55-I68 HydrophobicContact CG-CD1 4.26Å
56	K	50.4	Low	44.1	Very low	114 Å²	114	87.1 Å²	87.1	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-58.5	-45.4	176.6	-175.6	177	178.1	-65.8	0	111.5	N52 S53 I59 E60	N52-K56 WeakPolarHBondContact O-CB 3.29Å; N52-K56 PolarHBondContact O-N 2.99Å; S53-K56 PolarHBondContact O-N 3.44Å; K56-I59 WeakPolarHBondContact O-CB 3.47Å; K56-I59 PolarHBondContact O-N 3.28Å; K56-E60 WeakPolarHBondContact CE-OE1 3.21Å; K56-E60 IonicContact NZ-OE1 2.88Å; K56-E60 PolarHBondContact NZ-OE1 2.93Å; K56-E60 IonicContact NZ-OE2 2.61Å; K56-E60 PolarHBondContact NZ-OE2 3.41Å; K56-E60 WeakPolarHBondContact O-CB 3.34Å; K56-E60 VanDerWaalsContact O-CG 3.29Å; K56-E60 WeakPolarHBondContact O-CG 3.31Å; K56-E60 PolarHBondContact O-N 2.91Å
57	K	50.1	Low	43.3	Very low	111 Å²	111	89.9 Å²	89.9	48%	0.483	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-41.4	175.6	-166.1	-176.5	177.6	-171.6	0	112.1	S53 M54 L55 E60 D61	S53-K57 PolarHBondContact O-N 2.98Å; M54-K57 PolarHBondContact O-N 3.42Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.36Å; K57-E60 PolarHBondContact O-N 2.8Å; K57-D61 WeakPolarHBondContact O-CB 3.4Å; K57-D61 PolarHBondContact O-N 2.98Å
58	Y	42.2	Very low	42.7	Very low	107 Å²	107	90.9 Å²	90.9	42%	0.42	44%	0.443	S	S	.	.	H	α-helix	trans	-67.7	-35.4	177.5	-167.4	-91.6	0	0	0	112.9	M54 L55 K62	M54-Y58 WeakPolarHBondContact O-CB 3.4Å; M54-Y58 PolarHBondContact O-N 2.58Å; L55-Y58 PolarHBondContact O-N 2.74Å; Y58-K62 HydrophobicContact CD1-CG 4.18Å; Y58-K62 HydrophobicContact CD2-CG 4.24Å; Y58-K62 HydrophobicContact CE1-CB 4.38Å; Y58-K62 HydrophobicContact CE1-CG 3.91Å; Y58-K62 HydrophobicContact CE2-CD 4.33Å; Y58-K62 HydrophobicContact CE2-CG 3.97Å; Y58-K62 HydrophobicContact CG-CG 4.33Å; Y58-K62 WeakPolarHBondContact O-CB 3.21Å; Y58-K62 WeakPolarHBondContact O-CG 3.14Å; Y58-K62 PolarHBondContact O-N 3.08Å; Y58-K62 VanDerWaalsContact O-N 3.08Å
59	I	42	Very low	42.1	Very low	43 Å²	43	96.2 Å²	96.2	22%	0.221	47%	0.466	C	S	.	.	H	α-helix	trans	-61.5	-45.6	171.7	-72.7	160.4	0	0	0	110	L55 K56 N63 V64 I66	L55-I59 HydrophobicContact CB-CD1 4.47Å; L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 VanDerWaalsContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.29Å; L55-I59 PolarHBondContact O-N 3.41Å; K56-I59 WeakPolarHBondContact O-CB 3.47Å; K56-I59 PolarHBondContact O-N 3.28Å; I59-N63 WeakPolarHBondContact O-CA 3.28Å; I59-N63 PolarHBondContact O-N 3.46Å; I59-V64 WeakPolarHBondContact CG1-O 3.31Å; I59-V64 WeakPolarHBondContact CG2-O 3.12Å; I59-V64 PolarHBondContact O-N 2.82Å; I59-I66 HydrophobicContact CD1-CB 3.89Å; I59-I66 WeakPolarHBondContact CD1-O 3.14Å; I59-I66 HydrophobicContact CG1-CB 3.9Å; I59-I66 HydrophobicContact CG1-CD1 4.35Å; I59-I66 HydrophobicContact CG1-CG1 4.16Å
60	E	45.5	Very low	40.9	Very low	120 Å²	120	91.3 Å²	91.3	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-68.3	-48.3	179.5	-72	170	155.3	0	0	112.1	K56 K57 K62	K56-E60 WeakPolarHBondContact CE-OE1 3.21Å; K56-E60 IonicContact NZ-OE1 2.88Å; K56-E60 PolarHBondContact NZ-OE1 2.93Å; K56-E60 IonicContact NZ-OE2 2.61Å; K56-E60 PolarHBondContact NZ-OE2 3.41Å; K56-E60 WeakPolarHBondContact O-CB 3.34Å; K56-E60 VanDerWaalsContact O-CG 3.29Å; K56-E60 WeakPolarHBondContact O-CG 3.31Å; K56-E60 PolarHBondContact O-N 2.91Å; K57-E60 PolarHBondContact O-N 2.8Å; E60-K62 PolarHBondContact O-N 3.19Å
61	D	43	Very low	40	Very low	120 Å²	120	95.8 Å²	95.8	64%	0.642	49%	0.486	S	S	*	.	H	α-helix	trans	-68.6	-27	179.9	-79.8	-21.9	0	0	0	113.8	K57	K57-D61 WeakPolarHBondContact O-CB 3.4Å; K57-D61 PolarHBondContact O-N 2.98Å
62	K	42	Very low	39.2	Very low	124 Å²	124	101.7 Å²	101.7	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-113	-2.1	-173.1	-59.1	-90.6	-175.7	172.8	0	114.2	Y58 E60 V64	Y58-K62 HydrophobicContact CD1-CG 4.18Å; Y58-K62 HydrophobicContact CD2-CG 4.24Å; Y58-K62 HydrophobicContact CE1-CB 4.38Å; Y58-K62 HydrophobicContact CE1-CG 3.91Å; Y58-K62 HydrophobicContact CE2-CD 4.33Å; Y58-K62 HydrophobicContact CE2-CG 3.97Å; Y58-K62 HydrophobicContact CG-CG 4.33Å; Y58-K62 WeakPolarHBondContact O-CB 3.21Å; Y58-K62 WeakPolarHBondContact O-CG 3.14Å; Y58-K62 PolarHBondContact O-N 3.08Å; Y58-K62 VanDerWaalsContact O-N 3.08Å; E60-K62 PolarHBondContact O-N 3.19Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 HydrophobicContact CB-CG2 3.68Å; K62-V64 WeakPolarHBondContact O-CG2 3.32Å; K62-V64 PolarHBondContact O-N 2.84Å
63	N	37	Very low	38.3	Very low	156 Å²	156	108.4 Å²	108.4	83%	0.834	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	43.3	-174.9	-164.3	32.9	0	0	0	113.8	I59	I59-N63 WeakPolarHBondContact O-CA 3.28Å; I59-N63 PolarHBondContact O-N 3.46Å
64	V	33.5	Very low	37.2	Very low	64 Å²	64	110.1 Å²	110.1	39%	0.388	54%	0.54	S	S	.	.			trans	-106.7	114.2	-177	-170.6	0	0	0	0	110.3	I59 K62 I66	I59-V64 WeakPolarHBondContact CG1-O 3.31Å; I59-V64 WeakPolarHBondContact CG2-O 3.12Å; I59-V64 PolarHBondContact O-N 2.82Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 HydrophobicContact CB-CG2 3.68Å; K62-V64 WeakPolarHBondContact O-CG2 3.32Å; K62-V64 PolarHBondContact O-N 2.84Å; V64-I66 HydrophobicContact CB-CD1 4.48Å; V64-I66 HydrophobicContact CB-CG1 4.17Å; V64-I66 HydrophobicContact CG1-CD1 4.04Å; V64-I66 HydrophobicContact CG1-CG1 3.58Å; V64-I66 PolarHBondContact O-N 3.19Å
65	D	30.5	Very low	36.5	Very low	112 Å²	112	117.7 Å²	117.7	60%	0.599	57%	0.572	S	S	*	*			trans	-70	69.7	178.9	-175	13.9	0	0	0	112.9	R67	D65-R67 PolarHBondContact O-N 3.45Å; D65-R67 WeakPolarHBondContact OD1-CG 3.31Å; D65-R67 IonicContact OD1-CZ 3.62Å; D65-R67 IonicContact OD1-NE 2.99Å; D65-R67 PolarHBondContact OD1-NE 2.96Å; D65-R67 IonicContact OD1-NH2 3.6Å; D65-R67 IonicContact OD2-CZ 3.32Å; D65-R67 IonicContact OD2-NE 2.58Å; D65-R67 PolarHBondContact OD2-NE 3.41Å; D65-R67 IonicContact OD2-NH2 2.73Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å
66	I	31.2	Very low	35.7	Very low	70 Å²	70	120.3 Å²	120.3	36%	0.359	58%	0.583	S	S	.	*			trans	-89.1	90.3	174.3	-48.7	-179.6	0	0	0	109.3	L55 I59 V64 I68	L55-I66 HydrophobicContact CD2-CD1 4.4Å; I59-I66 HydrophobicContact CD1-CB 3.89Å; I59-I66 WeakPolarHBondContact CD1-O 3.14Å; I59-I66 HydrophobicContact CG1-CB 3.9Å; I59-I66 HydrophobicContact CG1-CD1 4.35Å; I59-I66 HydrophobicContact CG1-CG1 4.16Å; V64-I66 HydrophobicContact CB-CD1 4.48Å; V64-I66 HydrophobicContact CB-CG1 4.17Å; V64-I66 HydrophobicContact CG1-CD1 4.04Å; V64-I66 HydrophobicContact CG1-CG1 3.58Å; V64-I66 PolarHBondContact O-N 3.19Å; I66-I68 PolarHBondContact O-N 3.49Å
67	R	29.1	Very low	34.4	Very low	149 Å²	149	121 Å²	121	56%	0.562	60%	0.599	S	S	*	*			trans	-75.5	89.9	173.8	-55.3	-174.1	-165.7	-148.6	0.4	110.4	D65 I69 H103	D65-R67 PolarHBondContact O-N 3.45Å; D65-R67 WeakPolarHBondContact OD1-CG 3.31Å; D65-R67 IonicContact OD1-CZ 3.62Å; D65-R67 IonicContact OD1-NE 2.99Å; D65-R67 PolarHBondContact OD1-NE 2.96Å; D65-R67 IonicContact OD1-NH2 3.6Å; D65-R67 IonicContact OD2-CZ 3.32Å; D65-R67 IonicContact OD2-NE 2.58Å; D65-R67 PolarHBondContact OD2-NE 3.41Å; D65-R67 IonicContact OD2-NH2 2.73Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å; R67-I69 PolarHBondContact O-N 2.93Å; R67-I69 VanDerWaalsContact O-N 3.15Å; R67-H103 PolarHBondContact NH2-NE2 2.77Å
68	I	31.4	Very low	33.3	Very low	73 Å²	73	120.9 Å²	120.9	37%	0.374	61%	0.608	S	S	.	*			trans	-59.3	115.3	170.5	-52.5	171	0	0	0	108.3	N52 L55 I66 G70	N52-I68 VanDerWaalsContact OD1-CD1 3.3Å; N52-I68 WeakPolarHBondContact OD1-CD1 3.21Å; L55-I68 HydrophobicContact CB-CD1 3.71Å; L55-I68 HydrophobicContact CD1-CD1 3.56Å; L55-I68 HydrophobicContact CD1-CG1 4.11Å; L55-I68 HydrophobicContact CG-CD1 4.26Å; I66-I68 PolarHBondContact O-N 3.49Å; I68-G70 PolarHBondContact O-N 3.4Å
69	I	30.2	Very low	32.7	Very low	159 Å²	159	123.9 Å²	123.9	82%	0.815	63%	0.625	S	S	*	*			trans	-79.9	71	173.7	-51.9	-179.7	0	0	0	108.1	R67 N71	R67-I69 PolarHBondContact O-N 2.93Å; R67-I69 VanDerWaalsContact O-N 3.15Å; I69-N71 PolarHBondContact O-N 2.85Å
70	G	29.5	Very low	32	Very low	47 Å²	47	129.1 Å²	129.1	49%	0.485	65%	0.647	S	S	.	*			trans	-69.2	125.5	177.1	0	0	0	0	0	111	I68 K72	I68-G70 PolarHBondContact O-N 3.4Å; G70-K72 PolarHBondContact O-N 3.42Å
71	N	29.7	Very low	31	Very low	160 Å²	160	130.1 Å²	130.1	86%	0.856	66%	0.661	S	S	*	*			trans	-72.8	52.5	173.8	-81.7	-29.3	0	0	0	112.2	I69 K73	I69-N71 PolarHBondContact O-N 2.85Å; N71-K73 PolarHBondContact O-N 2.94Å; N71-K73 VanDerWaalsContact O-N 3.11Å
72	K	31	Very low	30.3	Very low	166 Å²	166	129.1 Å²	129.1	72%	0.722	66%	0.66	S	S	*	*			trans	-64.7	110.8	174.1	-104.9	178	173.8	-96.7	0	109.5	G70 D74	G70-K72 PolarHBondContact O-N 3.42Å; K72-D74 HydrophobicContact CB-CB 4.32Å; K72-D74 VanDerWaalsContact CD-OD2 3.23Å; K72-D74 WeakPolarHBondContact CD-OD2 3.45Å; K72-D74 WeakPolarHBondContact CE-OD2 3.26Å; K72-D74 WeakPolarHBondContact CG-OD2 3.29Å; K72-D74 IonicContact NZ-OD2 3.46Å; K72-D74 PolarHBondContact NZ-OD2 3.15Å; K72-D74 PolarHBondContact O-N 3.29Å
73	K	30.1	Very low	29.6	Very low	211 Å²	211	129.7 Å²	129.7	92%	0.917	68%	0.676	S	S	*	*			trans	-72.5	35.7	164.7	-72.6	180	176.2	170.2	0	112	N71	N71-K73 PolarHBondContact O-N 2.94Å; N71-K73 VanDerWaalsContact O-N 3.11Å
74	D	30.4	Very low	29.3	Very low	101 Å²	101	130.5 Å²	130.5	54%	0.54	67%	0.672	S	S	.	*			trans	-88.9	149.5	-179.6	-77	-36.1	0	0	0	112	K72 Q76	K72-D74 HydrophobicContact CB-CB 4.32Å; K72-D74 VanDerWaalsContact CD-OD2 3.23Å; K72-D74 WeakPolarHBondContact CD-OD2 3.45Å; K72-D74 WeakPolarHBondContact CE-OD2 3.26Å; K72-D74 WeakPolarHBondContact CG-OD2 3.29Å; K72-D74 IonicContact NZ-OD2 3.46Å; K72-D74 PolarHBondContact NZ-OD2 3.15Å; K72-D74 PolarHBondContact O-N 3.29Å; D74-Q76 PolarHBondContact O-N 3.21Å
75	K	30	Very low	28.8	Very low	211 Å²	211	133.6 Å²	133.6	92%	0.917	69%	0.693	S	S	*	*			trans	-71	99.4	-162.2	-64.8	165.4	-175.1	170.1	0	111.1
76	Q	30.3	Very low	28.8	Very low	109 Å²	109	133.9 Å²	133.9	51%	0.509	70%	0.699	S	S	.	*			trans	-58.8	139.6	177.9	-160.5	-164	3.6	0	0	112.1	D74 T78	D74-Q76 PolarHBondContact O-N 3.21Å; Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.08Å; Q76-T78 PolarHBondContact O-OG1 3.11Å
77	P	25	Very low	28.7	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	72%	0.721	S	S	*	*			trans	-67.6	97.7	149.6	-7.3	23.9	0	0	0	107.1	Q79	P77-Q79 PolarHBondContact O-N 2.8Å
78	T	26.9	Very low	28.6	Very low	108 Å²	108	134.6 Å²	134.6	66%	0.663	73%	0.725	S	S	*	*			trans	-67	124.4	-153.9	-30.1	0	0	0	0	114.4	Q76 K80	Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.08Å; Q76-T78 PolarHBondContact O-OG1 3.11Å; T78-K80 HydrophobicContact CG2-CB 3.84Å
79	Q	28.1	Very low	28.6	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.794	75%	0.745	S	S	*	*			trans	-126.2	58.6	154.6	-159.9	171.9	95.2	0	0	111.1	P77	P77-Q79 PolarHBondContact O-N 2.8Å
80	K	27.2	Very low	28.5	Very low	153 Å²	153	139.7 Å²	139.7	67%	0.665	74%	0.741	S	S	*	*			trans	-97.7	100.8	169.9	-175.2	-179.2	-178.2	-179.9	0	108.3	T78 T82	T78-K80 HydrophobicContact CG2-CB 3.84Å; K80-T82 PolarHBondContact O-N 2.9Å
81	T	24.8	Very low	28.4	Very low	140 Å²	140	144 Å²	144	86%	0.859	75%	0.752	S	S	*	*			trans	-77.2	84.3	-173.2	-39.8	0	0	0	0	111.8
82	T	28.9	Very low	28.2	Very low	100 Å²	100	140 Å²	140	61%	0.613	73%	0.73	S	S	*	*			trans	-118.5	137	167.6	37	0	0	0	0	109.7	K80	K80-T82 PolarHBondContact O-N 2.9Å
83	P	27.9	Very low	28	Very low	135 Å²	135	140.1 Å²	140.1	88%	0.877	74%	0.739	S	S	*	*			trans	-74.3	132.6	-162.3	28.6	-35.4	0	0	0	113.4
84	K	29.3	Very low	27.7	Very low	174 Å²	174	133.3 Å²	133.3	76%	0.757	73%	0.729	S	S	*	*			trans	-127	127.3	162	-174.2	176.5	-178.4	178	0	108	T86	K84-T86 PolarHBondContact O-N 3.45Å
85	P	24.7	Very low	27.5	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	74%	0.744	S	S	*	*			trans	-74.6	114.2	-179.8	29	-32.9	0	0	0	110.4
86	T	28.5	Very low	27.4	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	73%	0.73	S	S	*	*			trans	-145.6	139.9	174.9	37.3	0	0	0	0	111.8	K84	K84-T86 PolarHBondContact O-N 3.45Å
87	T	29.9	Very low	27.2	Very low	134 Å²	134	131 Å²	131	82%	0.822	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-66.6	144.2	-165.9	-39.2	0	0	0	0	114.1	K89	T87-K89 PolarHBondContact O-N 2.98Å
88	P	28	Very low	27.3	Very low	101 Å²	101	129.4 Å²	129.4	66%	0.656	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-73	124.7	-179.3	28.2	-35.7	0	0	0	113.7
89	K	30.9	Very low	27.2	Very low	181 Å²	181	130.8 Å²	130.8	79%	0.787	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-99.5	166.3	155.6	-74.5	-169.5	173.9	-173.3	0	111.9	T87 K116	T87-K89 PolarHBondContact O-N 2.98Å; K89-K116 PolarHBondContact O-NZ 3.25Å
90	Q	26.9	Very low	27.1	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	71%	0.707	S	S	*	*			trans	-141.3	125.3	-172.2	169.4	-176.4	-21.8	0	0	107.9
91	I	27.5	Very low	27.1	Very low	137 Å²	137	124.8 Å²	124.8	70%	0.703	71%	0.714	S	S	*	*			trans	-149.8	139.1	-178	-55.7	-179.1	0	0	0	107.4	I118	I91-I118 WeakPolarHBondContact O-CD1 3.33Å
92	N	25.2	Very low	27.2	Very low	76 Å²	76	119.7 Å²	119.7	41%	0.406	68%	0.683	S	S	.	*			trans	-114.5	-176.5	178.4	-64.3	11.6	0	0	0	110.8
93	D	27.4	Very low	27.2	Very low	169 Å²	169	121 Å²	121	90%	0.904	68%	0.682	S	S	*	*			trans	74.4	150.8	166.6	-52.4	-20.4	0	0	0	118
94	G	23.7	Very low	27.1	Very low	68 Å²	68	117 Å²	117	70%	0.701	66%	0.656	S	S	*	*			trans	172.3	173.5	179.4	0	0	0	0	0	112.4
95	T	27.2	Very low	27	Very low	141 Å²	141	115.3 Å²	115.3	87%	0.865	65%	0.653	S	S	*	*			trans	-165.5	150.2	174.7	10.6	0	0	0	0	110.8
96	S	26.8	Very low	27.2	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	65%	0.646	S	S	*	*			trans	59.7	150.1	164.4	-79.6	0	0	0	0	119.1
97	D	26.9	Very low	27.1	Very low	143 Å²	143	120.2 Å²	120.2	77%	0.765	65%	0.646	S	S	*	*			cis	-139.4	179.7	-13.2	-84.1	-35.6	0	0	0	109
98	K	26.5	Very low	27	Very low	95 Å²	95	117.2 Å²	117.2	41%	0.413	63%	0.628	S	S	.	*			trans	-133	144.5	-167.6	-70.6	156.1	-178	151.2	0	116.2	S123 D124 K125	K98-S123 PolarHBondContact NZ-O 2.84Å; K98-S123 PolarHBondContact NZ-OG 2.84Å; K98-D124 WeakPolarHBondContact CD-O 3.36Å; K98-D124 WeakPolarHBondContact CE-O 3.25Å; K98-D124 PolarHBondContact NZ-O 2.99Å; K98-K125 HydrophobicContact CD-CG 4.07Å
99	T	24.4	Very low	27	Very low	137 Å²	137	117.8 Å²	117.8	84%	0.84	63%	0.629	S	S	*	*			trans	-125.3	158.6	151.5	48.7	0	0	0	0	108.8
100	S	27.5	Very low	27.1	Very low	43 Å²	43	113 Å²	113	30%	0.301	62%	0.617	S	S	.	*			trans	-138.7	102.3	-170.4	59.9	0	0	0	0	113.8	T126	S100-T126 WeakPolarHBondContact CB-O 3.46Å; S100-T126 PolarHBondContact OG-O 3.41Å; S100-T126 PolarHBondContact OG-OG1 2.83Å
101	D	27.1	Very low	27.3	Very low	153 Å²	153	113.4 Å²	113.4	82%	0.818	62%	0.616	S	S	*	*			trans	-108	128.2	165.2	-60.9	-61	0	0	0	109.8
102	T	26.5	Very low	27.4	Very low	33 Å²	33	111.4 Å²	111.4	20%	0.202	61%	0.612	C	S	.	*			trans	-118.5	106.6	-172.6	-50.5	0	0	0	0	116.2	D128 T129 H130	T102-D128 WeakPolarHBondContact CB-O 3.11Å; T102-D128 WeakPolarHBondContact CG2-O 3.3Å; T102-D128 PolarHBondContact OG1-O 3.38Å; T102-T129 HydrophobicContact CG2-CG2 4.34Å; T102-H130 PolarHBondContact O-CD2 3.39Å
103	H	28.4	Very low	27.5	Very low	127 Å²	127	114 Å²	114	59%	0.588	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.1	131.5	159.7	-51.6	-54	0	0	0	110.7	R67	R67-H103 PolarHBondContact NH2-NE2 2.77Å
104	T	26.7	Very low	27.7	Very low	53 Å²	53	112 Å²	112	33%	0.325	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.5	108.5	171.9	-71.4	0	0	0	0	114.2	H130 T131 I132	T104-H130 WeakPolarHBondContact CA-O 3.29Å; T104-H130 WeakPolarHBondContact CB-O 3.41Å; T104-H130 PolarHBondContact N-O 3.3Å; T104-T131 CarbonylContact O-C 3.55Å; T104-T131 WeakPolarHBondContact O-CA 3.47Å; T104-I132 PolarHBondContact O-N 2.78Å
105	I	27.1	Very low	28.1	Very low	138 Å²	138	111.6 Å²	111.6	71%	0.708	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.9	117.2	168.5	-55.3	168.6	0	0	0	107.5	I132	I105-I132 HydrophobicContact CG1-CD1 4.47Å
106	K	27.9	Very low	28.5	Very low	154 Å²	154	110.9 Å²	110.9	67%	0.67	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.9	141.9	175.8	-72.4	-167.6	176.3	176.1	0	115.9	I132 R134	K106-I132 PolarHBondContact N-O 3.46Å; K106-R134 PolarHBondContact O-N 2.95Å; K106-R134 VanDerWaalsContact O-N 3.14Å
107	R	27.9	Very low	28.7	Very low	194 Å²	194	110.9 Å²	110.9	73%	0.732	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.6	145.6	-175.9	171.6	-175.8	167.1	-167.3	-5.2	107.9	R134	R107-R134 WeakPolarHBondContact CA-O 3.18Å
108	T	27	Very low	28.9	Very low	71 Å²	71	108.1 Å²	108.1	44%	0.436	57%	0.57	S	S	.	*			trans	-138.5	145.7	-159.4	58.7	0	0	0	0	115.8	T136	T108-T136 PolarHBondContact OG1-N 3.19Å; T108-T136 PolarHBondContact OG1-O 2.85Å
109	T	28.6	Very low	29	Very low	113 Å²	113	108.7 Å²	108.7	69%	0.693	58%	0.577	S	S	*	*			trans	-172.3	162.7	139.4	23.7	0	0	0	0	111.9
110	P	32.6	Very low	29.3	Very low	81 Å²	81	108.5 Å²	108.5	53%	0.526	57%	0.571	S	S	.	*			trans	-135.4	169.1	-159.4	44.6	-30	0	0	0	119	K138	P110-K138 WeakPolarHBondContact CG-O 3.3Å
111	K	31.4	Very low	29.2	Very low	166 Å²	166	108.9 Å²	108.9	72%	0.722	58%	0.581	S	S	*	*			trans	-163.2	-177.1	147.3	-124.6	-163.8	172.8	178.7	0	111.5
112	P	27.8	Very low	29.3	Very low	95 Å²	95	106.5 Å²	106.5	62%	0.617	57%	0.572	S	S	*	*				-120.2	166.6	-129.8	42	-26.9	0	0	0	116.7
113	T	29	Very low	29.5	Very low	132 Å²	132	107.6 Å²	107.6	81%	0.81	58%	0.581	S	S	*	*				-178.8	161	128.5	19.1	0	0	0	0	113.2
114	T	31.1	Very low	29.6	Very low	127 Å²	127	106.4 Å²	106.4	78%	0.779	58%	0.579	S	S	*	*			trans	10.9	141.2	167.5	44.6	0	0	0	0	122.7
115	P	31.2	Very low	29.9	Very low	58 Å²	58	109.1 Å²	109.1	38%	0.377	59%	0.587	S	S	.	*			trans	-103.3	150.3	-167.8	41.2	-36.2	0	0	0	115.9	P142 K143	P115-P142 VanDerWaalsContact CB-O 3.3Å; P115-P142 WeakPolarHBondContact CB-O 3.48Å; P115-P142 WeakPolarHBondContact CG-O 3.15Å; P115-K143 HydrophobicContact CB-CB 3.9Å; P115-K143 HydrophobicContact CB-CD 3.76Å; P115-K143 HydrophobicContact CB-CG 3.8Å; P115-K143 HydrophobicContact CG-CD 3.91Å; P115-K143 HydrophobicContact CG-CG 3.99Å; P115-K143 PolarHBondContact O-NZ 3.06Å
116	K	37.2	Very low	30	Very low	127 Å²	127	106.7 Å²	106.7	55%	0.552	58%	0.579	S	S	*	*			trans	-118.8	163.4	170.8	-73.1	-168.9	-179.5	-177.9	0	113	K89 K143	K89-K116 PolarHBondContact O-NZ 3.25Å; K116-K143 WeakPolarHBondContact O-CB 3.49Å; K116-K143 VanDerWaalsContact O-CD 3.32Å; K116-K143 WeakPolarHBondContact O-CD 3.49Å
117	Q	31	Very low	30.2	Very low	88 Å²	88	101.2 Å²	101.2	41%	0.411	56%	0.559	S	S	.	*			trans	-130.4	122.4	-176.8	-107.2	161.5	-68.9	0	0	107.7	K143 I145	Q117-K143 HydrophobicContact CB-CD 4.16Å; Q117-K143 HydrophobicContact CG-CB 4.49Å; Q117-K143 HydrophobicContact CG-CD 3.79Å; Q117-K143 HydrophobicContact CG-CG 4.18Å; Q117-I145 HydrophobicContact CB-CD1 3.64Å; Q117-I145 HydrophobicContact CG-CD1 3.6Å; Q117-I145 HydrophobicContact CG-CG1 4.19Å
118	I	29.7	Very low	30.3	Very low	86 Å²	86	96.2 Å²	96.2	44%	0.441	55%	0.547	S	S	.	.			trans	-149.5	124.7	171.4	-64	179	0	0	0	108.3	I91 I145	I91-I118 WeakPolarHBondContact O-CD1 3.33Å; I118-I145 VanDerWaalsContact N-CD1 3.27Å; I118-I145 WeakPolarHBondContact O-CG2 3.39Å
119	N	29.2	Very low	30.5	Very low	107 Å²	107	94.3 Å²	94.3	57%	0.572	54%	0.536	S	S	*	.			trans	-71.8	154.2	179.9	-74.2	-9.7	0	0	0	112.6	I145	N119-I145 HydrophobicContact CB-CG2 4.45Å; N119-I145 WeakPolarHBondContact OD1-CD1 3.38Å; N119-I145 WeakPolarHBondContact OD1-CG1 3.23Å; N119-I145 WeakPolarHBondContact OD1-CG2 3.32Å
120	D	29.7	Very low	30.5	Very low	133 Å²	133	93.6 Å²	93.6	71%	0.711	52%	0.524	S	S	*	.			trans	-117.7	164.4	-174.6	-156.6	-5.1	0	0	0	112.6
121	G	27.2	Very low	30.3	Very low	50 Å²	50	90.4 Å²	90.4	52%	0.515	50%	0.503	S	S	.	.			trans	-161.9	108.7	-175.2	0	0	0	0	0	115.3
122	T	27.3	Very low	30.1	Very low	103 Å²	103	86.4 Å²	86.4	63%	0.632	49%	0.489	S	S	*	.			trans	32.2	113.2	153.9	56.9	0	0	0	0	120
123	S	31.9	Very low	30.3	Very low	56 Å²	56	87 Å²	87	39%	0.392	48%	0.482	S	S	.	.			trans	-168.3	138.8	154.1	177.6	0	0	0	0	111.6	K98 S150	K98-S123 PolarHBondContact NZ-O 2.84Å; K98-S123 PolarHBondContact NZ-OG 2.84Å; S123-S150 PolarHBondContact O-OG 3.48Å
124	D	29.7	Very low	30.3	Very low	102 Å²	102	86.5 Å²	86.5	55%	0.545	47%	0.465	S	S	.	.			trans	-83.6	160.1	-163.9	-51.5	-61.2	0	0	0	116.5	K98 S150 D151	K98-D124 WeakPolarHBondContact CD-O 3.36Å; K98-D124 WeakPolarHBondContact CE-O 3.25Å; K98-D124 PolarHBondContact NZ-O 2.99Å; D124-S150 WeakPolarHBondContact CA-OG 3.45Å; D124-S150 WeakPolarHBondContact OD1-CB 3.33Å; D124-S150 PolarHBondContact OD1-OG 3.34Å; D124-D151 PolarHBondContact OD1-N 3.21Å
125	K	34.5	Very low	30.2	Very low	110 Å²	110	82.9 Å²	82.9	48%	0.478	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	121.1	-167.6	-66	179.5	-178.3	169.4	0	114.2	K98 K152	K98-K125 HydrophobicContact CD-CG 4.07Å; K125-K152 HydrophobicContact CB-CG 4.49Å
126	T	27.6	Very low	30.2	Very low	88 Å²	88	83.1 Å²	83.1	54%	0.54	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	150.9	150.1	49.5	0	0	0	0	110.3	S100	S100-T126 WeakPolarHBondContact CB-O 3.46Å; S100-T126 PolarHBondContact OG-O 3.41Å; S100-T126 PolarHBondContact OG-OG1 2.83Å
127	S	33.3	Very low	30	Very low	38 Å²	38	80 Å²	80	27%	0.266	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	122.9	168.8	55.2	0	0	0	0	114.6	S154	S127-S154 VanDerWaalsContact O-CA 3.29Å; S127-S154 WeakPolarHBondContact O-CA 3.37Å
128	D	29.1	Very low	30.4	Very low	89 Å²	89	79.6 Å²	79.6	48%	0.476	43%	0.433	S	S	.	.			trans	-67.4	167.4	156.1	-53.1	-37.3	0	0	0	110.1	T102	T102-D128 WeakPolarHBondContact CB-O 3.11Å; T102-D128 WeakPolarHBondContact CG2-O 3.3Å; T102-D128 PolarHBondContact OG1-O 3.38Å
129	T	30.4	Very low	30.4	Very low	31 Å²	31	80.3 Å²	80.3	19%	0.19	44%	0.443	C	S	.	.			trans	-149.5	114.9	171.4	-42.4	0	0	0	0	116	T102 T131 D155 H157	T102-T129 HydrophobicContact CG2-CG2 4.34Å; T129-T131 WeakPolarHBondContact CG2-OG1 3.47Å; T129-D155 WeakPolarHBondContact CA-O 3.02Å; T129-D155 WeakPolarHBondContact CB-O 3.44Å; T129-D155 PolarHBondContact N-O 2.89Å; T129-D155 PolarHBondContact OG1-O 3.32Å; T129-D155 VanDerWaalsContact OG1-O 3.09Å; T129-H157 PolarHBondContact O-N 3.09Å
130	H	29.4	Very low	30.4	Very low	98 Å²	98	78.4 Å²	78.4	45%	0.454	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.9	160.8	-61.4	-60.5	0	0	0	112.1	T102 T104 H157	T102-H130 PolarHBondContact O-CD2 3.39Å; T104-H130 WeakPolarHBondContact CA-O 3.29Å; T104-H130 WeakPolarHBondContact CB-O 3.41Å; T104-H130 PolarHBondContact N-O 3.3Å; H130-H157 AromaticContact CE1-CD2 3.58Å; H130-H157 AromaticContact CE1-NE2 3.97Å; H130-H157 AromaticContact ND1-CD2 3.3Å; H130-H157 PolarHBondContact ND1-CD2 2.74Å; H130-H157 VanDerWaalsContact ND1-CD2 3.3Å; H130-H157 AromaticContact ND1-CG 3.93Å
131	T	28.5	Very low	30.5	Very low	15 Å²	15	78 Å²	78	9%	0.092	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.3	-175.8	-62.9	0	0	0	0	114.8	T104 T129 K133 H157 I159	T104-T131 CarbonylContact O-C 3.55Å; T104-T131 WeakPolarHBondContact O-CA 3.47Å; T129-T131 WeakPolarHBondContact CG2-OG1 3.47Å; T131-K133 HydrophobicContact CG2-CD 3.82Å; T131-K133 HydrophobicContact CG2-CG 3.83Å; T131-H157 VanDerWaalsContact CB-O 3.3Å; T131-H157 WeakPolarHBondContact CB-O 3.47Å; T131-H157 PolarHBondContact N-O 3.09Å; T131-I159 PolarHBondContact O-N 2.86Å
132	I	27.9	Very low	30.8	Very low	81 Å²	81	79 Å²	79	42%	0.415	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.5	165.7	-50.6	-176.3	0	0	0	110.7	T104 I105 K106 I159	T104-I132 PolarHBondContact O-N 2.78Å; I105-I132 HydrophobicContact CG1-CD1 4.47Å; K106-I132 PolarHBondContact N-O 3.46Å; I132-I159 HydrophobicContact CD1-CD1 4.3Å; I132-I159 HydrophobicContact CG1-CB 4.34Å; I132-I159 HydrophobicContact CG1-CD1 4.21Å; I132-I159 HydrophobicContact CG2-CB 4.3Å; I132-I159 HydrophobicContact CG2-CG2 4.42Å
133	K	31.3	Very low	31.2	Very low	108 Å²	108	78.6 Å²	78.6	47%	0.47	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.7	-173.5	-76.8	172.4	175.5	167.4	0	114.3	T131 I159 R161	T131-K133 HydrophobicContact CG2-CD 3.82Å; T131-K133 HydrophobicContact CG2-CG 3.83Å; K133-I159 PolarHBondContact N-O 2.84Å; K133-R161 PolarHBondContact O-N 2.86Å
134	R	29.3	Very low	31.1	Very low	121 Å²	121	80.6 Å²	80.6	46%	0.457	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.5	168.5	177	-178.6	169	-172	-3.5	110.7	K106 R107 R161	K106-R134 PolarHBondContact O-N 2.95Å; K106-R134 VanDerWaalsContact O-N 3.14Å; R107-R134 WeakPolarHBondContact CA-O 3.18Å; R134-R161 WeakPolarHBondContact CA-O 3.26Å
135	T	29.7	Very low	31.2	Very low	52 Å²	52	78.1 Å²	78.1	32%	0.319	41%	0.414	S	S	.	.			trans	-120.4	154	-167.4	65.3	0	0	0	0	115.8	R161 T162 T163	T135-R161 PolarHBondContact N-O 3.32Å; T135-T162 WeakPolarHBondContact OG1-CA 3.34Å; T135-T163 PolarHBondContact OG1-N 3.02Å; T135-T163 PolarHBondContact OG1-O 2.8Å
136	T	30	Very low	30.9	Very low	62 Å²	62	76.5 Å²	76.5	38%	0.38	41%	0.411	S	S	.	.			trans	-160.5	142.6	134.6	18.6	0	0	0	0	110.1	T108	T108-T136 PolarHBondContact OG1-N 3.19Å; T108-T136 PolarHBondContact OG1-O 2.85Å
137	P	33.6	Very low	31	Very low	62 Å²	62	77.7 Å²	77.7	40%	0.403	41%	0.414	S	S	.	.			trans	-102.7	-173.5	-179.6	43.6	-39.2	0	0	0	111.9	K165	P137-K165 WeakPolarHBondContact CG-O 3.45Å
138	K	38.2	Very low	30.8	Very low	79 Å²	79	78.1 Å²	78.1	34%	0.343	42%	0.424	S	S	.	.			cis	-145.7	-153.8	0.6	-143.3	-169.7	174.8	-169.6	0	109.8	P110 P166 T167	P110-K138 WeakPolarHBondContact CG-O 3.3Å; K138-P166 WeakPolarHBondContact CD-O 3.45Å; K138-P166 PolarHBondContact NZ-O 3.08Å; K138-P166 VanDerWaalsContact NZ-O 3.13Å; K138-T167 PolarHBondContact NZ-O 3.41Å
139	P	30.1	Very low	30.8	Very low	102 Å²	102	77.7 Å²	77.7	66%	0.662	43%	0.425	S	S	*	.			cis	-123	-128	23.3	43.2	-24.4	0	0	0	114.9
140	T	30.3	Very low	31.1	Very low	67 Å²	67	77 Å²	77	41%	0.411	42%	0.421	S	S	.	.			trans	-152.8	147.4	-163.9	36.9	0	0	0	0	116.9	T168	T140-T168 WeakPolarHBondContact CB-O 3.38Å; T140-T168 PolarHBondContact OG1-N 2.99Å; T140-T168 PolarHBondContact OG1-O 2.84Å
141	T	31.9	Very low	31.2	Very low	124 Å²	124	77 Å²	77	76%	0.761	43%	0.425	S	S	*	.			trans	-154.9	148.9	142.6	4	0	0	0	0	108.4
142	P	31.7	Very low	31.5	Very low	71 Å²	71	79.6 Å²	79.6	46%	0.461	44%	0.435	S	S	.	.			trans	-101.8	164.5	-160.1	38.6	-36.3	0	0	0	115.7	P115	P115-P142 VanDerWaalsContact CB-O 3.3Å; P115-P142 WeakPolarHBondContact CB-O 3.48Å; P115-P142 WeakPolarHBondContact CG-O 3.15Å
143	K	37.3	Very low	31.6	Very low	95 Å²	95	79.5 Å²	79.5	41%	0.413	44%	0.438	S	S	.	.			trans	-148.2	158.1	139.6	-109.8	179.5	-175.3	177.2	0	111.4	P115 K116 Q117	P115-K143 HydrophobicContact CB-CB 3.9Å; P115-K143 HydrophobicContact CB-CD 3.76Å; P115-K143 HydrophobicContact CB-CG 3.8Å; P115-K143 HydrophobicContact CG-CD 3.91Å; P115-K143 HydrophobicContact CG-CG 3.99Å; P115-K143 PolarHBondContact O-NZ 3.06Å; K116-K143 WeakPolarHBondContact O-CB 3.49Å; K116-K143 VanDerWaalsContact O-CD 3.32Å; K116-K143 WeakPolarHBondContact O-CD 3.49Å; Q117-K143 HydrophobicContact CB-CD 4.16Å; Q117-K143 HydrophobicContact CG-CB 4.49Å; Q117-K143 HydrophobicContact CG-CD 3.79Å; Q117-K143 HydrophobicContact CG-CG 4.18Å
144	Q	30	Very low	31.7	Very low	98 Å²	98	75.4 Å²	75.4	46%	0.458	42%	0.423	S	S	.	.			trans	-67.5	152.1	173.3	-61.8	163.9	-99.8	0	0	110.8	Q171	Q144-Q171 HydrophobicContact CG-CG 3.87Å
145	I	30.2	Very low	31.7	Very low	49 Å²	49	73.8 Å²	73.8	25%	0.251	42%	0.424	S	S	.	.				-168.2	-179.9	110	-102.6	162.6	0	0	0	111.8	Q117 I118 N119	Q117-I145 HydrophobicContact CB-CD1 3.64Å; Q117-I145 HydrophobicContact CG-CD1 3.6Å; Q117-I145 HydrophobicContact CG-CG1 4.19Å; I118-I145 VanDerWaalsContact N-CD1 3.27Å; I118-I145 WeakPolarHBondContact O-CG2 3.39Å; N119-I145 HydrophobicContact CB-CG2 4.45Å; N119-I145 WeakPolarHBondContact OD1-CD1 3.38Å; N119-I145 WeakPolarHBondContact OD1-CG1 3.23Å; N119-I145 WeakPolarHBondContact OD1-CG2 3.32Å
146	N	29.4	Very low	31.7	Very low	76 Å²	76	72.9 Å²	72.9	41%	0.406	42%	0.418	S	S	.	.			trans	-106.4	145.4	-163.5	-46.5	-3.9	0	0	0	112.7	N173	N146-N173 HydrophobicContact CB-CB 3.75Å; N146-N173 PolarHBondContact ND2-ND2 2.88Å; N146-N173 PolarHBondContact OD1-ND2 2.73Å
147	D	29.3	Very low	31.7	Very low	113 Å²	113	74 Å²	74	60%	0.604	42%	0.419	S	S	*	.			trans	-88.2	168	-179.5	-76.4	-8.1	0	0	0	114
148	G	28.8	Very low	31.5	Very low	47 Å²	47	72.1 Å²	72.1	49%	0.485	41%	0.406	S	S	.	.			trans	-136.6	160	166.3	0	0	0	0	0	111.7
149	T	29.3	Very low	31	Very low	80 Å²	80	71.9 Å²	71.9	49%	0.491	41%	0.408	S	S	.	.			trans	-78	151.4	-169.8	51.2	0	0	0	0	114.1	T176	T149-T176 VanDerWaalsContact CG2-O 3.29Å; T149-T176 WeakPolarHBondContact CG2-O 3.33Å
150	S	36.3	Very low	31	Very low	16 Å²	16	72.3 Å²	72.3	11%	0.112	40%	0.399	C	S	.	.			trans	-176.3	137.7	173	164.2	0	0	0	0	112.7	S123 D124 K152 S177	S123-S150 PolarHBondContact O-OG 3.48Å; D124-S150 WeakPolarHBondContact CA-OG 3.45Å; D124-S150 WeakPolarHBondContact OD1-CB 3.33Å; D124-S150 PolarHBondContact OD1-OG 3.34Å; S150-K152 PolarHBondContact O-NZ 3.15Å; S150-S177 WeakPolarHBondContact O-CB 3.24Å; S150-S177 PolarHBondContact O-OG 3.03Å
151	D	32	Very low	30.9	Very low	100 Å²	100	74.8 Å²	74.8	54%	0.535	40%	0.401	S	S	.	.			trans	-91.9	154.5	-169.7	-62.7	-45.9	0	0	0	116.2	D124 S177	D124-D151 PolarHBondContact OD1-N 3.21Å; D151-S177 VanDerWaalsContact CA-OG 3.31Å; D151-S177 WeakPolarHBondContact CA-OG 3.48Å; D151-S177 VanDerWaalsContact OD1-CB 3.29Å; D151-S177 WeakPolarHBondContact OD1-CB 3.26Å; D151-S177 PolarHBondContact OD1-OG 3.38Å
152	K	35	Very low	30.7	Very low	68 Å²	68	72.8 Å²	72.8	30%	0.296	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	133.3	-165.5	-57.2	178.3	-175.5	61.5	0	114.6	K125 S150	K125-K152 HydrophobicContact CB-CG 4.49Å; S150-K152 PolarHBondContact O-NZ 3.15Å
153	T	29.6	Very low	30.5	Very low	79 Å²	79	72.5 Å²	72.5	49%	0.485	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.2	162	47.8	0	0	0	0	110.1
154	S	33.1	Very low	30.4	Very low	22 Å²	22	73.1 Å²	73.1	15%	0.154	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	128.2	-179.4	62.5	0	0	0	0	117.5	S127 T180 S181	S127-S154 VanDerWaalsContact O-CA 3.29Å; S127-S154 WeakPolarHBondContact O-CA 3.37Å; S154-T180 PolarHBondContact N-O 3.07Å; S154-S181 VanDerWaalsContact O-CA 3.24Å; S154-S181 WeakPolarHBondContact O-CA 3.41Å; S154-S181 WeakPolarHBondContact O-CB 2.86Å
155	D	30.4	Very low	30.6	Very low	87 Å²	87	76.2 Å²	76.2	47%	0.465	41%	0.412	S	S	.	.			trans	-92.7	146.6	169.7	-70.8	-25.7	0	0	0	112.6	T129	T129-D155 WeakPolarHBondContact CA-O 3.02Å; T129-D155 WeakPolarHBondContact CB-O 3.44Å; T129-D155 PolarHBondContact N-O 2.89Å; T129-D155 PolarHBondContact OG1-O 3.32Å; T129-D155 VanDerWaalsContact OG1-O 3.09Å
156	T	29.7	Very low	30.7	Very low	33 Å²	33	77.7 Å²	77.7	20%	0.202	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	117.5	-168	-60.8	0	0	0	0	117.5	D182 T183 H184	T156-D182 PolarHBondContact N-O 3.12Å; T156-D182 VanDerWaalsContact N-O 3.14Å; T156-T183 VanDerWaalsContact O-CA 3.31Å; T156-T183 WeakPolarHBondContact O-CA 3.12Å; T156-H184 PolarHBondContact O-N 2.79Å
157	H	30	Very low	30.7	Very low	87 Å²	87	78 Å²	78	40%	0.403	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.7	163.7	-57.5	-83.9	0	0	0	111.9	T129 H130 T131	T129-H157 PolarHBondContact O-N 3.09Å; H130-H157 AromaticContact CE1-CD2 3.58Å; H130-H157 AromaticContact CE1-NE2 3.97Å; H130-H157 AromaticContact ND1-CD2 3.3Å; H130-H157 PolarHBondContact ND1-CD2 2.74Å; H130-H157 VanDerWaalsContact ND1-CD2 3.3Å; H130-H157 AromaticContact ND1-CG 3.93Å; T131-H157 VanDerWaalsContact CB-O 3.3Å; T131-H157 WeakPolarHBondContact CB-O 3.47Å; T131-H157 PolarHBondContact N-O 3.09Å
158	T	28.3	Very low	30.6	Very low	21 Å²	21	76.7 Å²	76.7	13%	0.129	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.8	-176.6	-71.8	0	0	0	0	116.4	K160 H184 T185 I186	T158-K160 HydrophobicContact CG2-CD 4.24Å; T158-K160 HydrophobicContact CG2-CG 3.9Å; T158-H184 PolarHBondContact N-O 3.17Å; T158-T185 VanDerWaalsContact O-CA 3.28Å; T158-T185 WeakPolarHBondContact O-CA 3.4Å; T158-I186 PolarHBondContact O-N 3.23Å; T158-I186 VanDerWaalsContact O-N 3.14Å
159	I	27.8	Very low	30.9	Very low	75 Å²	75	79.2 Å²	79.2	39%	0.385	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.1	167.3	-54.7	-178.4	0	0	0	110	T131 I132 K133	T131-I159 PolarHBondContact O-N 2.86Å; I132-I159 HydrophobicContact CD1-CD1 4.3Å; I132-I159 HydrophobicContact CG1-CB 4.34Å; I132-I159 HydrophobicContact CG1-CD1 4.21Å; I132-I159 HydrophobicContact CG2-CB 4.3Å; I132-I159 HydrophobicContact CG2-CG2 4.42Å; K133-I159 PolarHBondContact N-O 2.84Å
160	K	30.4	Very low	30.9	Very low	110 Å²	110	83.6 Å²	83.6	48%	0.478	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.9	-176.6	-80.1	174.6	177.6	168.7	0	114.2	T158 I186	T158-K160 HydrophobicContact CG2-CD 4.24Å; T158-K160 HydrophobicContact CG2-CG 3.9Å; K160-I186 PolarHBondContact N-O 3.13Å
161	R	28	Very low	30.6	Very low	119 Å²	119	87.7 Å²	87.7	45%	0.449	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.5	164.6	-178.5	176.6	175	-168.4	-0.5	110.6	K133 R134 T135	K133-R161 PolarHBondContact O-N 2.86Å; R134-R161 WeakPolarHBondContact CA-O 3.26Å; T135-R161 PolarHBondContact N-O 3.32Å
162	T	28.1	Very low	30.3	Very low	83 Å²	83	87.8 Å²	87.8	51%	0.509	46%	0.462	S	S	.	.			trans	-139.5	147.6	-161.2	47.8	0	0	0	0	116.1	T135	T135-T162 WeakPolarHBondContact OG1-CA 3.34Å
163	T	28.4	Very low	29.9	Very low	64 Å²	64	88.5 Å²	88.5	39%	0.393	47%	0.469	S	S	.	.			trans	-156.2	131.1	158.3	16.9	0	0	0	0	110.9	T135	T135-T163 PolarHBondContact OG1-N 3.02Å; T135-T163 PolarHBondContact OG1-O 2.8Å
164	P	34.5	Very low	29.8	Very low	108 Å²	108	91.5 Å²	91.5	70%	0.701	48%	0.482	S	S	*	.			trans	-92.1	-170.7	-175	40.1	-39	0	0	0	112.8
165	K	35	Very low	29.5	Very low	164 Å²	164	92.6 Å²	92.6	71%	0.713	50%	0.497	S	S	*	.			cis	-145.7	-168	-0.5	-132.6	-164.4	-178.2	178	0	105.9	P137	P137-K165 WeakPolarHBondContact CG-O 3.45Å
166	P	30.6	Very low	29.4	Very low	79 Å²	79	94 Å²	94	51%	0.513	51%	0.509	S	S	.	.			cis	-136	-112.7	14.5	40	-15.7	0	0	0	114.4	K138	K138-P166 WeakPolarHBondContact CD-O 3.45Å; K138-P166 PolarHBondContact NZ-O 3.08Å; K138-P166 VanDerWaalsContact NZ-O 3.13Å
167	T	29.4	Very low	29.4	Very low	83 Å²	83	94.6 Å²	94.6	51%	0.509	51%	0.514	S	S	.	.			trans	-116.9	-177.8	-158.3	52.9	0	0	0	0	111	K138	K138-T167 PolarHBondContact NZ-O 3.41Å
168	T	28.9	Very low	29.4	Very low	86 Å²	86	97.2 Å²	97.2	53%	0.528	53%	0.531	S	S	.	.			cis	-161.7	162.9	6.1	-12.4	0	0	0	0	107.9	T140	T140-T168 WeakPolarHBondContact CB-O 3.38Å; T140-T168 PolarHBondContact OG1-N 2.99Å; T140-T168 PolarHBondContact OG1-O 2.84Å
169	P	33.3	Very low	29.4	Very low	99 Å²	99	102.9 Å²	102.9	64%	0.643	55%	0.554	S	S	*	*			cis	-126.1	177.9	-40.6	33.1	-14.2	0	0	0	114.2
170	K	30.2	Very low	29.4	Very low	172 Å²	172	104.1 Å²	104.1	75%	0.748	57%	0.565	S	S	*	*			trans	1.3	135.3	161.9	-62.3	-176.9	174.4	-172.6	0	121.6	I172	K170-I172 HydrophobicContact CD-CD1 4.26Å; K170-I172 HydrophobicContact CG-CD1 4.43Å
171	Q	29.5	Very low	29.3	Very low	103 Å²	103	102.4 Å²	102.4	48%	0.481	57%	0.567	S	S	.	*				-140.1	152.5	120.5	-103.1	144.9	-4.6	0	0	108.8	Q144	Q144-Q171 HydrophobicContact CG-CG 3.87Å
172	I	25.5	Very low	29.3	Very low	102 Å²	102	102.8 Å²	102.8	52%	0.523	58%	0.578	S	S	.	*			trans	-148.2	145.5	-167.7	-57.7	169.8	0	0	0	107.3	K170	K170-I172 HydrophobicContact CD-CD1 4.26Å; K170-I172 HydrophobicContact CG-CD1 4.43Å
173	N	27.9	Very low	29.3	Very low	82 Å²	82	102.8 Å²	102.8	44%	0.439	58%	0.578	S	S	.	*			trans	-157.6	140.8	148.2	-96.6	-40.6	0	0	0	107.9	N146	N146-N173 HydrophobicContact CB-CB 3.75Å; N146-N173 PolarHBondContact ND2-ND2 2.88Å; N146-N173 PolarHBondContact OD1-ND2 2.73Å
174	D	26.6	Very low	29.3	Very low	143 Å²	143	106.2 Å²	106.2	77%	0.765	59%	0.589	S	S	*	*			trans	-98	152.9	-157.3	-60.4	-72.4	0	0	0	114.9
175	G	27.6	Very low	28.9	Very low	44 Å²	44	104.9 Å²	104.9	45%	0.454	58%	0.579	S	S	.	*			trans	-150.5	127.9	170.2	0	0	0	0	0	112.2
176	T	27.1	Very low	28.4	Very low	118 Å²	118	102.8 Å²	102.8	72%	0.724	57%	0.574	S	S	*	*			trans	-91.2	150.4	-176.2	45.6	0	0	0	0	113.6	T149	T149-T176 VanDerWaalsContact CG2-O 3.29Å; T149-T176 WeakPolarHBondContact CG2-O 3.33Å
177	S	31.2	Very low	28.3	Very low	44 Å²	44	107 Å²	107	31%	0.308	59%	0.585	S	S	.	*			trans	-173	144.7	172.8	164.7	0	0	0	0	111.5	S150 D151	S150-S177 WeakPolarHBondContact O-CB 3.24Å; S150-S177 PolarHBondContact O-OG 3.03Å; D151-S177 VanDerWaalsContact CA-OG 3.31Å; D151-S177 WeakPolarHBondContact CA-OG 3.48Å; D151-S177 VanDerWaalsContact OD1-CB 3.29Å; D151-S177 WeakPolarHBondContact OD1-CB 3.26Å; D151-S177 PolarHBondContact OD1-OG 3.38Å
178	D	28.4	Very low	28.2	Very low	142 Å²	142	113.3 Å²	113.3	76%	0.759	60%	0.599	S	S	*	*			trans	-94.8	164.8	-174.7	-66.5	-50.4	0	0	0	114
179	K	29.4	Very low	28.1	Very low	140 Å²	140	114.2 Å²	114.2	61%	0.609	61%	0.605	S	S	*	*			trans	-153.8	155.9	-172	-63.3	-170.6	-177.9	-176.9	0	116
180	T	27.2	Very low	27.9	Very low	101 Å²	101	114.4 Å²	114.4	62%	0.62	60%	0.604	S	S	*	*			trans	-123.7	148.8	160.7	48.7	0	0	0	0	110.6	S154	S154-T180 PolarHBondContact N-O 3.07Å
181	S	29.2	Very low	27.8	Very low	75 Å²	75	111.9 Å²	111.9	52%	0.524	61%	0.605	S	S	.	*			trans	-169	140.2	-178	62.7	0	0	0	0	115.4	S154	S154-S181 VanDerWaalsContact O-CA 3.24Å; S154-S181 WeakPolarHBondContact O-CA 3.41Å; S154-S181 WeakPolarHBondContact O-CB 2.86Å
182	D	27.6	Very low	27.8	Very low	127 Å²	127	116.7 Å²	116.7	68%	0.679	63%	0.625	S	S	*	*			trans	-99.4	160.2	165.2	-86.1	-40.6	0	0	0	113.9	T156	T156-D182 PolarHBondContact N-O 3.12Å; T156-D182 VanDerWaalsContact N-O 3.14Å
183	T	27.8	Very low	28	Very low	82 Å²	82	116.6 Å²	116.6	50%	0.503	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.9	137.9	-169.1	-72.6	0	0	0	0	118.1	T156	T156-T183 VanDerWaalsContact O-CA 3.31Å; T156-T183 WeakPolarHBondContact O-CA 3.12Å
184	H	28.1	Very low	27.9	Very low	137 Å²	137	119.1 Å²	119.1	63%	0.634	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-133.6	149.4	167.6	-64.7	-24.7	0	0	0	113.3	T156 T158	T156-H184 PolarHBondContact O-N 2.79Å; T158-H184 PolarHBondContact N-O 3.17Å
185	T	26.2	Very low	28.1	Very low	80 Å²	80	118.5 Å²	118.5	49%	0.491	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.2	143.4	-170.7	-72.9	0	0	0	0	117.2	T158	T158-T185 VanDerWaalsContact O-CA 3.28Å; T158-T185 WeakPolarHBondContact O-CA 3.4Å
186	I	25.5	Very low	28.1	Very low	119 Å²	119	121.7 Å²	121.7	61%	0.61	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.6	149.3	171.3	-55	179	0	0	0	112.4	T158 K160	T158-I186 PolarHBondContact O-N 3.23Å; T158-I186 VanDerWaalsContact O-N 3.14Å; K160-I186 PolarHBondContact N-O 3.13Å
187	K	28.3	Very low	28.2	Very low	168 Å²	168	125.7 Å²	125.7	73%	0.73	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-135.2	150.4	-175.6	-65.4	173.2	-178.2	169.1	0	114.3
188	R	26.8	Very low	28	Very low	215 Å²	215	130.4 Å²	130.4	81%	0.811	69%	0.688	S	S	*	*			trans	-157.4	147.2	164.7	-165	177.6	-179.2	-147.5	-0.5	112.9
189	T	26.5	Very low	27.9	Very low	106 Å²	106	130.3 Å²	130.3	65%	0.65	69%	0.686	S	S	*	*			trans	-141.1	150.3	-169.4	38.6	0	0	0	0	114.9
190	T	28.5	Very low	27.7	Very low	103 Å²	103	130.7 Å²	130.7	63%	0.632	70%	0.695	S	S	*	*			trans	-158.4	152.7	163.5	42.9	0	0	0	0	111.5
191	P	28.8	Very low	27.7	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	71%	0.706	S	S	*	*			trans	-127.6	-170.2	-165.8	44.1	-30	0	0	0	118.1
192	K	29.7	Very low	27.5	Very low	204 Å²	204	133.2 Å²	133.2	89%	0.887	72%	0.716	S	S	*	*			trans	88.5	157.7	171.5	-94.6	-160.7	171.8	-177.5	0	118.6
193	P	28.9	Very low	27.4	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	72%	0.723	S	S	*	*				-139.6	-175.9	-124.2	43.2	-23	0	0	0	119.5
194	T	27.6	Very low	27.2	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	73%	0.732	S	S	*	*			trans	81.9	148.6	158	30.3	0	0	0	0	121.9
195	T	29.1	Very low	27.3	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	74%	0.742	S	S	*	*			trans	-72.6	165.1	-175.2	34.6	0	0	0	0	114.7
196	P	29.4	Very low	27.5	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	75%	0.753	S	S	*	*			cis	-151.5	-160.7	37.9	45.5	-24	0	0	0	118
197	K	27.6	Very low	27.7	Very low	201 Å²	201	138.4 Å²	138.4	87%	0.874	75%	0.754	S	S	*	*			trans	75.5	153.4	162.9	-78.3	-176.6	175.6	-179	0	119.5
198	Q	27	Very low	28	Very low	143 Å²	143	139.5 Å²	139.5	67%	0.668	76%	0.759	S	S	*	*			trans	-134.7	121.9	-175.8	172.4	-174.8	-16.4	0	0	107.3
199	I	27.4	Very low	28.1	Very low	141 Å²	141	132.1 Å²	132.1	72%	0.723	74%	0.74	S	S	*	*			trans	-138	138.2	172.6	-61.5	179.8	0	0	0	106.8
200	N	25.4	Very low	28.4	Very low	147 Å²	147	130.7 Å²	130.7	79%	0.786	73%	0.728	S	S	*	*			trans	-94.4	119.5	167	-69.7	-16.2	0	0	0	107.7
201	D	26.1	Very low	28.5	Very low	158 Å²	158	129 Å²	129	85%	0.845	72%	0.724	S	S	*	*			trans	-148.4	149.1	159.3	-112.9	-41.3	0	0	0	109.2
202	G	25.1	Very low	28.6	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	71%	0.711	S	S	*	*			trans	-107.2	123.6	-169.9	0	0	0	0	0	113.2
203	T	25.1	Very low	28.8	Very low	134 Å²	134	123.8 Å²	123.8	82%	0.822	70%	0.698	S	S	*	*			trans	-132.9	144.7	172.5	-49.2	0	0	0	0	110.9
204	S	24.4	Very low	29	Very low	101 Å²	101	124.2 Å²	124.2	71%	0.706	69%	0.69	S	S	*	*			trans	-83.5	110	-179.4	176.8	0	0	0	0	111.9	K206	S204-K206 VanDerWaalsContact C-N 3.29Å; S204-K206 PolarHBondContact O-N 2.77Å
205	D	31	Very low	29.2	Very low	158 Å²	158	124.7 Å²	124.7	85%	0.845	69%	0.686	S	S	*	*			trans	-75.1	80.3	167.5	-78.1	-34.6	0	0	0	110.5
206	K	29.4	Very low	29.3	Very low	163 Å²	163	123.3 Å²	123.3	71%	0.709	67%	0.673	S	S	*	*			trans	-60.5	139.4	157.6	-88.7	-173.6	173	-176.8	0	108.9	S204 K208	S204-K206 VanDerWaalsContact C-N 3.29Å; S204-K206 PolarHBondContact O-N 2.77Å; K206-K208 PolarHBondContact O-N 3.36Å
207	P	29.9	Very low	29.5	Very low	98 Å²	98	125.1 Å²	125.1	64%	0.636	68%	0.677	S	S	*	*			trans	-59.6	132.4	167.9	27.1	-33.5	0	0	0	109.1
208	K	33.8	Very low	29.6	Very low	191 Å²	191	125.2 Å²	125.2	83%	0.83	68%	0.677	S	S	*	*			trans	-100.6	-13.7	-173.8	-69.7	-173.6	179.6	178.8	0	113.3	K206 D212	K206-K208 PolarHBondContact O-N 3.36Å; K208-D212 PolarHBondContact N-OD2 2.99Å
209	S	30.3	Very low	29.8	Very low	60 Å²	60	123 Å²	123	42%	0.42	68%	0.675	S	S	.	*			trans	-148.7	153.2	173.8	-173.1	0	0	0	0	112.1	A211 D212	S209-A211 PolarHBondContact O-N 3.37Å; S209-A211 WeakPolarHBondContact OG-CB 3.44Å; S209-A211 PolarHBondContact OG-N 3.24Å; S209-A211 VanDerWaalsContact OG-N 3.13Å; S209-D212 PolarHBondContact N-OD2 2.95Å; S209-D212 VanDerWaalsContact N-OD2 3.08Å; S209-D212 WeakPolarHBondContact O-CB 3.41Å; S209-D212 PolarHBondContact O-N 2.78Å
210	I	31.7	Very low	30.2	Very low	76 Å²	76	126.1 Å²	126.1	39%	0.39	68%	0.684	S	S	.	*	H	α-helix	trans	-57.2	-27.8	164.6	-69.3	169.2	0	0	0	110.7	D212 I213 F214 F236	I210-D212 VanDerWaalsContact C-N 3.26Å; I210-D212 PolarHBondContact O-N 3.19Å; I210-I213 WeakPolarHBondContact O-CB 3.19Å; I210-I213 PolarHBondContact O-N 3.08Å; I210-I213 VanDerWaalsContact O-N 3.09Å; I210-F214 HydrophobicContact CG2-CD2 3.71Å; I210-F214 HydrophobicContact CG2-CE2 3.88Å; I210-F214 PolarHBondContact O-N 3.38Å; I210-F214 VanDerWaalsContact O-N 3.09Å; I210-F236 HydrophobicContact CD1-CE1 4.43Å
211	A	30.3	Very low	30.7	Very low	66 Å²	66	121.8 Å²	121.8	55%	0.545	66%	0.662	S	S	.	*	H	α-helix	trans	-63.2	-26.8	173.9	0	0	0	0	0	113.9	S209 I213	S209-A211 PolarHBondContact O-N 3.37Å; S209-A211 WeakPolarHBondContact OG-CB 3.44Å; S209-A211 PolarHBondContact OG-N 3.24Å; S209-A211 VanDerWaalsContact OG-N 3.13Å; A211-I213 VanDerWaalsContact C-N 3.32Å
212	D	31	Very low	31	Very low	94 Å²	94	116.9 Å²	116.9	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-73.5	-27.9	174.5	-61.4	-46.2	0	0	0	111.7	K208 S209 I210	K208-D212 PolarHBondContact N-OD2 2.99Å; S209-D212 PolarHBondContact N-OD2 2.95Å; S209-D212 VanDerWaalsContact N-OD2 3.08Å; S209-D212 WeakPolarHBondContact O-CB 3.41Å; S209-D212 PolarHBondContact O-N 2.78Å; I210-D212 VanDerWaalsContact C-N 3.26Å; I210-D212 PolarHBondContact O-N 3.19Å
213	I	33.8	Very low	31.5	Very low	119 Å²	119	120 Å²	120	61%	0.61	64%	0.638	S	S	*	*	H	α-helix	trans	-75.1	-43.9	176.6	-51.3	177.4	0	0	0	109.6	I210 A211 L215	I210-I213 WeakPolarHBondContact O-CB 3.19Å; I210-I213 PolarHBondContact O-N 3.08Å; I210-I213 VanDerWaalsContact O-N 3.09Å; A211-I213 VanDerWaalsContact C-N 3.32Å; I213-L215 PolarHBondContact O-N 3.34Å; I213-L215 VanDerWaalsContact O-N 3.07Å
214	F	32.7	Very low	32.1	Very low	110 Å²	110	123.1 Å²	123.1	48%	0.482	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	44.5	176.5	-73.7	-80.9	0	0	0	113.4	I210 I216	I210-F214 HydrophobicContact CG2-CD2 3.71Å; I210-F214 HydrophobicContact CG2-CE2 3.88Å; I210-F214 PolarHBondContact O-N 3.38Å; I210-F214 VanDerWaalsContact O-N 3.09Å; F214-I216 HydrophobicContact CD1-CD1 4.42Å; F214-I216 PolarHBondContact O-N 2.8Å
215	L	32.3	Very low	32.7	Very low	144 Å²	144	121.8 Å²	121.8	75%	0.754	62%	0.619	S	S	*	*			trans	-76.1	61.3	170.4	-153.7	78	0	0	0	111.1	I213 N217	I213-L215 PolarHBondContact O-N 3.34Å; I213-L215 VanDerWaalsContact O-N 3.07Å; L215-N217 PolarHBondContact O-N 3.41Å
216	I	32.5	Very low	33	Very low	102 Å²	102	117 Å²	117	52%	0.523	60%	0.595	S	S	.	*			trans	-57	105.8	-178.8	-62.6	173.8	0	0	0	108.9	F214 K218 L229	F214-I216 HydrophobicContact CD1-CD1 4.42Å; F214-I216 PolarHBondContact O-N 2.8Å; I216-K218 PolarHBondContact O-N 3.03Å; I216-L229 HydrophobicContact CD1-CD2 4.5Å
217	N	31.8	Very low	33.6	Very low	149 Å²	149	114.2 Å²	114.2	80%	0.797	59%	0.588	S	S	*	*			trans	-51.4	135	166.3	-99.9	-33.4	0	0	0	108.4	L215 P219	L215-N217 PolarHBondContact O-N 3.41Å; N217-P219 WeakPolarHBondContact O-CD 2.96Å
218	K	30.4	Very low	34.1	Very low	204 Å²	204	111.5 Å²	111.5	89%	0.887	57%	0.57	S	S	*	*			trans	-92.8	97.3	-177.8	-63.6	-168.4	178.3	-163.1	0	112.5	I216	I216-K218 PolarHBondContact O-N 3.03Å
219	P	30.8	Very low	34.4	Very low	96 Å²	96	106.4 Å²	106.4	62%	0.623	55%	0.552	S	S	*	*	S	Bend	trans	-77.6	178.6	134.7	37.3	-30.5	0	0	0	109.1	N217 V221	N217-P219 WeakPolarHBondContact O-CD 2.96Å; P219-V221 VanDerWaalsContact C-N 3.3Å; P219-V221 HydrophobicContact CG-CG2 4.21Å; P219-V221 PolarHBondContact O-N 3.15Å
220	K	36.7	Very low	35.1	Very low	207 Å²	207	108.4 Å²	108.4	90%	0.9	55%	0.551	S	S	*	*			trans	-77.3	79.9	168.7	-64.6	176.4	-178.3	176.4	0	109.6	P222	K220-P222 WeakPolarHBondContact O-CD 3.4Å
221	V	35	Very low	35.7	Very low	56 Å²	56	111.6 Å²	111.6	34%	0.339	56%	0.559	S	S	.	*			trans	-63	116.6	162	-174	0	0	0	0	106.1	P219 I225 V226	P219-V221 VanDerWaalsContact C-N 3.3Å; P219-V221 HydrophobicContact CG-CG2 4.21Å; P219-V221 PolarHBondContact O-N 3.15Å; V221-I225 HydrophobicContact CG1-CB 3.82Å; V221-I225 HydrophobicContact CG1-CG2 3.66Å; V221-V226 HydrophobicContact CB-CG2 3.79Å; V221-V226 HydrophobicContact CG1-CG2 3.6Å; V221-V226 WeakPolarHBondContact O-CG2 3.29Å
222	P	32.3	Very low	36.3	Very low	55 Å²	55	111 Å²	111	36%	0.357	55%	0.545	S	S	.	.			trans	-70.6	149.4	-174.6	31.5	-36.4	0	0	0	109.7	K220 W224 I225 V226	K220-P222 WeakPolarHBondContact O-CD 3.4Å; P222-W224 PolarHBondContact O-N 3.16Å; P222-I225 HydrophobicContact CG-CB 4.34Å; P222-I225 HydrophobicContact CG-CD1 3.8Å; P222-I225 HydrophobicContact CG-CG1 4.02Å; P222-I225 PolarHBondContact O-N 3.4Å; P222-V226 PolarHBondContact O-N 2.74Å; P222-V226 VanDerWaalsContact O-N 3.12Å
223	L	36.6	Very low	37.1	Very low	137 Å²	137	109.2 Å²	109.2	72%	0.717	54%	0.538	S	S	*	.	H	α-helix	trans	-56.8	-31.5	-166.5	-112.7	69.6	0	0	0	114.2	I225 V226 N227	L223-I225 VanDerWaalsContact C-N 3.26Å; L223-I225 PolarHBondContact O-N 2.98Å; L223-V226 CarbonylContact O-C 3.59Å; L223-V226 PolarHBondContact O-N 2.63Å; L223-V226 VanDerWaalsContact O-N 3.17Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.47Å
224	W	36.5	Very low	37.7	Very low	199 Å²	199	106.6 Å²	106.6	75%	0.754	52%	0.523	S	S	*	.	H	α-helix	trans	-68.2	-18.8	175.9	65.4	-79.5	0	0	0	114.7	P222 P228	P222-W224 PolarHBondContact O-N 3.16Å; W224-P228 WeakPolarHBondContact O-CD 3.41Å
225	I	38.1	Very low	38.5	Very low	74 Å²	74	105.8 Å²	105.8	38%	0.379	52%	0.519	S	S	.	.	H	α-helix	trans	-93.9	-30.1	169.7	-60	179.6	0	0	0	110.5	V221 P222 L223 P228	V221-I225 HydrophobicContact CG1-CB 3.82Å; V221-I225 HydrophobicContact CG1-CG2 3.66Å; P222-I225 HydrophobicContact CG-CB 4.34Å; P222-I225 HydrophobicContact CG-CD1 3.8Å; P222-I225 HydrophobicContact CG-CG1 4.02Å; P222-I225 PolarHBondContact O-N 3.4Å; L223-I225 VanDerWaalsContact C-N 3.26Å; L223-I225 PolarHBondContact O-N 2.98Å; I225-P228 WeakPolarHBondContact O-CD 3.24Å; I225-P228 WeakPolarHBondContact O-CG 3.03Å
226	V	36.6	Very low	39.3	Very low	56 Å²	56	101.1 Å²	101.1	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-68	-39	172.6	-173.7	0	0	0	0	111.4	V221 P222 L223 L229 Y230	V221-V226 HydrophobicContact CB-CG2 3.79Å; V221-V226 HydrophobicContact CG1-CG2 3.6Å; V221-V226 WeakPolarHBondContact O-CG2 3.29Å; P222-V226 PolarHBondContact O-N 2.74Å; P222-V226 VanDerWaalsContact O-N 3.12Å; L223-V226 CarbonylContact O-C 3.59Å; L223-V226 PolarHBondContact O-N 2.63Å; L223-V226 VanDerWaalsContact O-N 3.17Å; V226-L229 CarbonylContact O-C 3.59Å; V226-L229 PolarHBondContact O-N 2.94Å; V226-Y230 VanDerWaalsContact O-CB 3.24Å; V226-Y230 WeakPolarHBondContact O-CB 3.34Å; V226-Y230 PolarHBondContact O-N 2.69Å
227	N	42	Very low	40.1	Very low	105 Å²	105	98.6 Å²	98.6	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-53.2	-57.4	-180	-108	40.8	0	0	0	113.6	L223 L229 Y230 Y231	L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.47Å; N227-L229 VanDerWaalsContact C-N 3.3Å; N227-L229 PolarHBondContact O-N 3.02Å; N227-Y230 PolarHBondContact O-N 3.45Å; N227-Y231 WeakPolarHBondContact O-CB 3.4Å; N227-Y231 PolarHBondContact O-N 2.91Å
228	P	40.9	Very low	40.8	Very low	41 Å²	41	95.7 Å²	95.7	27%	0.266	46%	0.464	S	S	.	.	H	α-helix	trans	-65.8	-32.8	178.3	25.9	-34.3	0	0	0	112	W224 I225 M232	W224-P228 WeakPolarHBondContact O-CD 3.41Å; I225-P228 WeakPolarHBondContact O-CD 3.24Å; I225-P228 WeakPolarHBondContact O-CG 3.03Å; P228-M232 HydrophobicContact CB-CE 4.03Å; P228-M232 VanDerWaalsContact O-CB 3.31Å; P228-M232 WeakPolarHBondContact O-CB 3.43Å; P228-M232 VanDerWaalsContact O-CE 3.32Å; P228-M232 WeakPolarHBondContact O-CE 3.42Å; P228-M232 VanDerWaalsContact O-CG 3.28Å; P228-M232 WeakPolarHBondContact O-CG 3.3Å; P228-M232 PolarHBondContact O-N 3.3Å
229	L	39.3	Very low	41.6	Very low	84 Å²	84	89.3 Å²	89.3	44%	0.44	44%	0.439	S	S	.	.	H	α-helix	trans	-69.5	-37.5	176.9	-143	75.6	0	0	0	112.2	I216 V226 N227 M232 V233	I216-L229 HydrophobicContact CD1-CD2 4.5Å; V226-L229 CarbonylContact O-C 3.59Å; V226-L229 PolarHBondContact O-N 2.94Å; N227-L229 VanDerWaalsContact C-N 3.3Å; N227-L229 PolarHBondContact O-N 3.02Å; L229-M232 HydrophobicContact CD1-CE 4.3Å; L229-M232 PolarHBondContact O-N 3.43Å; L229-V233 WeakPolarHBondContact O-CG2 3.08Å; L229-V233 PolarHBondContact O-N 2.91Å
230	Y	45.9	Very low	42.1	Very low	102 Å²	102	85.9 Å²	85.9	40%	0.4	42%	0.415	S	S	.	.	H	α-helix	trans	-66.8	-47.7	173.3	-177	-85.1	0	0	0	110.3	V226 N227 M232 V233 E234 Y258	V226-Y230 VanDerWaalsContact O-CB 3.24Å; V226-Y230 WeakPolarHBondContact O-CB 3.34Å; V226-Y230 PolarHBondContact O-N 2.69Å; N227-Y230 PolarHBondContact O-N 3.45Å; Y230-M232 VanDerWaalsContact C-N 3.3Å; Y230-M232 PolarHBondContact O-N 3.29Å; Y230-V233 PolarHBondContact O-N 3.39Å; Y230-E234 WeakPolarHBondContact CE1-OE2 3.4Å; Y230-E234 WeakPolarHBondContact O-CB 3.29Å; Y230-E234 PolarHBondContact O-N 2.75Å; Y230-Y258 VanDerWaalsContact OH-CE1 3.26Å; Y230-Y258 WeakPolarHBondContact OH-CE1 3.48Å
231	Y	43.8	Very low	42.1	Very low	144 Å²	144	77.8 Å²	77.8	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-59	-39.5	173.6	-119.5	-101.2	0	0	0	112.1	N227 K235	N227-Y231 WeakPolarHBondContact O-CB 3.4Å; N227-Y231 PolarHBondContact O-N 2.91Å; Y231-K235 HydrophobicContact CD1-CG 4.41Å; Y231-K235 VanDerWaalsContact O-CB 3.29Å; Y231-K235 WeakPolarHBondContact O-CB 3.44Å; Y231-K235 VanDerWaalsContact O-CG 3.25Å; Y231-K235 WeakPolarHBondContact O-CG 3.28Å; Y231-K235 PolarHBondContact O-N 2.66Å
232	M	44.2	Very low	42.2	Very low	52 Å²	52	83.8 Å²	83.8	26%	0.256	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-42.7	175	-81.5	-176.4	-96.8	0	0	112.1	L14 P228 L229 Y230 F236	L14-M232 HydrophobicContact CD1-CG 4.47Å; P228-M232 HydrophobicContact CB-CE 4.03Å; P228-M232 VanDerWaalsContact O-CB 3.31Å; P228-M232 WeakPolarHBondContact O-CB 3.43Å; P228-M232 VanDerWaalsContact O-CE 3.32Å; P228-M232 WeakPolarHBondContact O-CE 3.42Å; P228-M232 VanDerWaalsContact O-CG 3.28Å; P228-M232 WeakPolarHBondContact O-CG 3.3Å; P228-M232 PolarHBondContact O-N 3.3Å; L229-M232 HydrophobicContact CD1-CE 4.3Å; L229-M232 PolarHBondContact O-N 3.43Å; Y230-M232 VanDerWaalsContact C-N 3.3Å; Y230-M232 PolarHBondContact O-N 3.29Å; M232-F236 WeakPolarHBondContact O-CB 3.12Å; M232-F236 PolarHBondContact O-N 2.75Å
233	V	47.7	Very low	42.3	Very low	58 Å²	58	84.1 Å²	84.1	35%	0.352	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-40	175.5	171	0	0	0	0	111.4	L229 Y230 F236 V237	L229-V233 WeakPolarHBondContact O-CG2 3.08Å; L229-V233 PolarHBondContact O-N 2.91Å; Y230-V233 PolarHBondContact O-N 3.39Å; V233-F236 PolarHBondContact O-N 3.43Å; V233-V237 HydrophobicContact CG1-CG2 4.49Å; V233-V237 WeakPolarHBondContact O-CB 3.31Å; V233-V237 VanDerWaalsContact O-CG2 3.3Å; V233-V237 WeakPolarHBondContact O-CG2 3.2Å; V233-V237 PolarHBondContact O-N 3.14Å
234	E	46.2	Very low	42.5	Very low	63 Å²	63	81.8 Å²	81.8	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-47.5	176.8	-167.6	-160.5	121.5	0	0	111.3	Y230 V237 Q238	Y230-E234 WeakPolarHBondContact CE1-OE2 3.4Å; Y230-E234 WeakPolarHBondContact O-CB 3.29Å; Y230-E234 PolarHBondContact O-N 2.75Å; E234-V237 PolarHBondContact O-N 2.87Å; E234-Q238 WeakPolarHBondContact O-CB 3.36Å; E234-Q238 WeakPolarHBondContact O-CG 3.31Å; E234-Q238 PolarHBondContact O-N 2.95Å; E234-Q238 PolarHBondContact OE1-NE2 2.71Å
235	K	49.3	Very low	42.7	Very low	93 Å²	93	79.5 Å²	79.5	40%	0.404	39%	0.392	S	S	.	.	H	α-helix	trans	-66.9	-35.8	175.4	-67.7	-69.6	160.7	-155	0	111.9	Y231 Q238 I239	Y231-K235 HydrophobicContact CD1-CG 4.41Å; Y231-K235 VanDerWaalsContact O-CB 3.29Å; Y231-K235 WeakPolarHBondContact O-CB 3.44Å; Y231-K235 VanDerWaalsContact O-CG 3.25Å; Y231-K235 WeakPolarHBondContact O-CG 3.28Å; Y231-K235 PolarHBondContact O-N 2.66Å; K235-Q238 PolarHBondContact O-N 3.47Å; K235-I239 VanDerWaalsContact O-CB 3.3Å; K235-I239 WeakPolarHBondContact O-CB 3.32Å; K235-I239 WeakPolarHBondContact O-CD1 3.29Å; K235-I239 WeakPolarHBondContact O-CG1 3.4Å; K235-I239 PolarHBondContact O-N 2.84Å
236	F	48.3	Very low	42.7	Very low	46 Å²	46	82.9 Å²	82.9	20%	0.202	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-43.2	171.5	-178.7	-97.3	0	0	0	111.5	I11 I210 M232 V233 I239 M240	I11-F236 HydrophobicContact CD1-CD2 3.96Å; I11-F236 HydrophobicContact CD1-CE2 3.95Å; I210-F236 HydrophobicContact CD1-CE1 4.43Å; M232-F236 WeakPolarHBondContact O-CB 3.12Å; M232-F236 PolarHBondContact O-N 2.75Å; V233-F236 PolarHBondContact O-N 3.43Å; F236-I239 PolarHBondContact O-N 3.09Å; F236-M240 HydrophobicContact CD1-CG 4.03Å; F236-M240 HydrophobicContact CD2-CG 4.4Å; F236-M240 HydrophobicContact CE1-CG 3.72Å; F236-M240 HydrophobicContact CE1-SD 4.47Å; F236-M240 HydrophobicContact CE2-CG 4.12Å; F236-M240 HydrophobicContact CE2-SD 4.29Å; F236-M240 HydrophobicContact CG-CG 4.36Å; F236-M240 HydrophobicContact CZ-CG 3.77Å; F236-M240 HydrophobicContact CZ-SD 3.97Å; F236-M240 VanDerWaalsContact O-CB 3.26Å; F236-M240 WeakPolarHBondContact O-CB 3.44Å; F236-M240 WeakPolarHBondContact O-CG 3.3Å; F236-M240 PolarHBondContact O-N 3.04Å
237	V	50.6	Low	42.5	Very low	50 Å²	50	86.9 Å²	86.9	30%	0.303	43%	0.43	S	S	.	.	H	α-helix	trans	-67.1	-39.3	175.8	169.1	0	0	0	0	111.8	V233 E234 M240 G241 L252	V233-V237 HydrophobicContact CG1-CG2 4.49Å; V233-V237 WeakPolarHBondContact O-CB 3.31Å; V233-V237 VanDerWaalsContact O-CG2 3.3Å; V233-V237 WeakPolarHBondContact O-CG2 3.2Å; V233-V237 PolarHBondContact O-N 3.14Å; E234-V237 PolarHBondContact O-N 2.87Å; V237-M240 PolarHBondContact O-N 3.45Å; V237-G241 PolarHBondContact O-N 2.86Å; V237-L252 HydrophobicContact CG1-CD2 4.19Å
238	Q	46.4	Very low	42.1	Very low	87 Å²	87	88.8 Å²	88.8	41%	0.407	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-46	174.1	-75	165.6	9.9	0	0	111.6	E234 K235 G241 Y242	E234-Q238 WeakPolarHBondContact O-CB 3.36Å; E234-Q238 WeakPolarHBondContact O-CG 3.31Å; E234-Q238 PolarHBondContact O-N 2.95Å; E234-Q238 PolarHBondContact OE1-NE2 2.71Å; K235-Q238 PolarHBondContact O-N 3.47Å; Q238-G241 PolarHBondContact O-N 2.88Å; Q238-Y242 WeakPolarHBondContact O-CB 3.42Å; Q238-Y242 PolarHBondContact O-N 2.59Å
239	I	45.4	Very low	41.5	Very low	71 Å²	71	93.3 Å²	93.3	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-43.8	176.3	-71.1	164.8	0	0	0	111	K235 F236 G241 Y242 L243	K235-I239 VanDerWaalsContact O-CB 3.3Å; K235-I239 WeakPolarHBondContact O-CB 3.32Å; K235-I239 WeakPolarHBondContact O-CD1 3.29Å; K235-I239 WeakPolarHBondContact O-CG1 3.4Å; K235-I239 PolarHBondContact O-N 2.84Å; F236-I239 PolarHBondContact O-N 3.09Å; I239-G241 VanDerWaalsContact C-N 3.31Å; I239-G241 PolarHBondContact O-N 3.14Å; I239-Y242 PolarHBondContact O-N 3.01Å; I239-L243 HydrophobicContact CG2-CD1 3.61Å; I239-L243 HydrophobicContact CG2-CG 4.37Å; I239-L243 VanDerWaalsContact O-CB 3.29Å; I239-L243 WeakPolarHBondContact O-CB 3.36Å; I239-L243 WeakPolarHBondContact O-CG 3.34Å; I239-L243 PolarHBondContact O-N 3.26Å
240	M	41.4	Very low	41.1	Very low	24 Å²	24	96.3 Å²	96.3	12%	0.118	48%	0.483	C	S	.	.	H	α-helix	trans	-66.4	-31.5	176.3	-71.6	-68	-59.2	0	0	112.4	I3 F236 V237 L244	I3-M240 HydrophobicContact CG2-CE 3.56Å; I3-M240 HydrophobicContact CG2-SD 3.74Å; F236-M240 HydrophobicContact CD1-CG 4.03Å; F236-M240 HydrophobicContact CD2-CG 4.4Å; F236-M240 HydrophobicContact CE1-CG 3.72Å; F236-M240 HydrophobicContact CE1-SD 4.47Å; F236-M240 HydrophobicContact CE2-CG 4.12Å; F236-M240 HydrophobicContact CE2-SD 4.29Å; F236-M240 HydrophobicContact CG-CG 4.36Å; F236-M240 HydrophobicContact CZ-CG 3.77Å; F236-M240 HydrophobicContact CZ-SD 3.97Å; F236-M240 VanDerWaalsContact O-CB 3.26Å; F236-M240 WeakPolarHBondContact O-CB 3.44Å; F236-M240 WeakPolarHBondContact O-CG 3.3Å; F236-M240 PolarHBondContact O-N 3.04Å; V237-M240 PolarHBondContact O-N 3.45Å; M240-L244 HydrophobicContact CE-CD1 4.4Å; M240-L244 WeakPolarHBondContact O-CB 3.16Å; M240-L244 WeakPolarHBondContact O-CD1 3.32Å; M240-L244 PolarHBondContact O-N 2.73Å
241	G	36.9	Very low	40.5	Very low	36 Å²	36	99.6 Å²	99.6	37%	0.371	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-54	171.4	0	0	0	0	0	111.5	V237 Q238 I239 L243 L244 E245	V237-G241 PolarHBondContact O-N 2.86Å; Q238-G241 PolarHBondContact O-N 2.88Å; I239-G241 VanDerWaalsContact C-N 3.31Å; I239-G241 PolarHBondContact O-N 3.14Å; G241-L243 PolarHBondContact O-N 3Å; G241-L243 VanDerWaalsContact O-N 3.15Å; G241-L244 PolarHBondContact O-N 2.65Å; G241-E245 PolarHBondContact O-N 3.01Å
242	Y	38.2	Very low	40.1	Very low	183 Å²	183	99.1 Å²	99.1	72%	0.718	51%	0.509	S	S	*	.	H	α-helix	trans	-59.5	-25.9	178.3	-132.3	-82.8	0	0	0	113.4	Q238 I239	Q238-Y242 WeakPolarHBondContact O-CB 3.42Å; Q238-Y242 PolarHBondContact O-N 2.59Å; I239-Y242 PolarHBondContact O-N 3.01Å
243	L	34.1	Very low	39.8	Very low	62 Å²	62	102.5 Å²	102.5	33%	0.325	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.6	176.5	-66.6	172.4	0	0	0	114.1	I3 I6 I239 G241	I3-L243 HydrophobicContact CD1-CB 4.15Å; I3-L243 HydrophobicContact CG1-CB 3.64Å; I3-L243 HydrophobicContact CG1-CD1 4.17Å; I3-L243 HydrophobicContact CG1-CG 4.4Å; I6-L243 HydrophobicContact CG2-CD1 3.86Å; I239-L243 HydrophobicContact CG2-CD1 3.61Å; I239-L243 HydrophobicContact CG2-CG 4.37Å; I239-L243 VanDerWaalsContact O-CB 3.29Å; I239-L243 WeakPolarHBondContact O-CB 3.36Å; I239-L243 WeakPolarHBondContact O-CG 3.34Å; I239-L243 PolarHBondContact O-N 3.26Å; G241-L243 PolarHBondContact O-N 3Å; G241-L243 VanDerWaalsContact O-N 3.15Å
244	L	40	Very low	39.4	Very low	88 Å²	88	105.3 Å²	105.3	46%	0.461	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.5	167.2	-103.9	72.3	0	0	0	112.1	M240 G241 D246	M240-L244 HydrophobicContact CE-CD1 4.4Å; M240-L244 WeakPolarHBondContact O-CB 3.16Å; M240-L244 WeakPolarHBondContact O-CD1 3.32Å; M240-L244 PolarHBondContact O-N 2.73Å; G241-L244 PolarHBondContact O-N 2.65Å; L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.27Å
245	E	41	Very low	38.8	Very low	151 Å²	151	106.8 Å²	106.8	71%	0.706	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-11.4	-172.7	-151.7	152.8	-150.2	0	0	113.1	G241	G241-E245 PolarHBondContact O-N 3.01Å
246	D	37.9	Very low	38.4	Very low	145 Å²	145	111.6 Å²	111.6	78%	0.775	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-17.4	178.2	-77	-36.3	0	0	0	114.8	L244	L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.27Å
247	D	33.8	Very low	37.9	Very low	140 Å²	140	119.9 Å²	119.9	75%	0.749	61%	0.608	S	S	*	*	S	Bend	trans	-145.6	113.1	-178.5	-89.4	-48	0	0	0	112.4
248	D	32.6	Very low	37.3	Very low	145 Å²	145	125.8 Å²	125.8	78%	0.775	63%	0.626	S	S	*	*	S	Bend	trans	51	76	162.4	-73.2	-14.2	0	0	0	120.3	L250	D248-L250 PolarHBondContact O-N 3.48Å
249	T	27.7	Very low	36.7	Very low	136 Å²	136	130.4 Å²	130.4	83%	0.834	64%	0.641	S	S	*	*			trans	44.1	76.6	136.7	59.3	0	0	0	0	118.4
250	L	32.8	Very low	36.2	Very low	146 Å²	146	133.2 Å²	133.2	76%	0.764	66%	0.657	S	S	*	*			trans	-125.8	92.8	158.9	-90.8	167.7	0	0	0	110.7	D248 L252	D248-L250 PolarHBondContact O-N 3.48Å; L250-L252 PolarHBondContact O-N 2.93Å
251	E	31.9	Very low	36.2	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	69%	0.687	S	S	*	*			trans	-58.2	97.5	171.6	-75.1	-168.1	175.4	0	0	110.7	N253	E251-N253 PolarHBondContact O-N 3.14Å; E251-N253 PolarHBondContact O-ND2 3.23Å; E251-N253 PolarHBondContact OE2-ND2 3.36Å; E251-N253 VanDerWaalsContact OE2-ND2 3.15Å
252	L	36.4	Very low	36.3	Very low	134 Å²	134	143.5 Å²	143.5	70%	0.702	70%	0.703	S	S	*	*			trans	-72.1	81.7	175.4	-160.3	79.9	0	0	0	109.2	V237 L250 L254	V237-L252 HydrophobicContact CG1-CD2 4.19Å; L250-L252 PolarHBondContact O-N 2.93Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 2.93Å
253	N	36.3	Very low	36.2	Very low	123 Å²	123	146 Å²	146	66%	0.658	73%	0.727	S	S	*	*			trans	-60	90.6	-173.7	-102.4	-102.5	0	0	0	111.3	E251	E251-N253 PolarHBondContact O-N 3.14Å; E251-N253 PolarHBondContact O-ND2 3.23Å; E251-N253 PolarHBondContact OE2-ND2 3.36Å; E251-N253 VanDerWaalsContact OE2-ND2 3.15Å
254	L	39.7	Very low	36.3	Very low	117 Å²	117	150.3 Å²	150.3	61%	0.613	75%	0.747	S	S	*	*			trans	-56.9	136.5	178.1	-78.6	160.5	0	0	0	110.2	L252 K256	L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 2.93Å; L254-K256 PolarHBondContact O-N 3.01Å; L254-K256 VanDerWaalsContact O-N 3.16Å
255	P	33.1	Very low	36.1	Very low	95 Å²	95	153.5 Å²	153.5	62%	0.617	76%	0.762	S	S	*	*			trans	-56.3	123.5	175.6	-24.8	34.2	0	0	0	110.8	Y257	P255-Y257 PolarHBondContact O-N 3.49Å
256	K	41.4	Very low	35.8	Very low	194 Å²	194	153.7 Å²	153.7	84%	0.843	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	9.2	-176.1	-70.3	-172.5	174.4	-177.9	0	115.9	L254	L254-K256 PolarHBondContact O-N 3.01Å; L254-K256 VanDerWaalsContact O-N 3.16Å
257	Y	37.8	Very low	35.7	Very low	220 Å²	220	154.2 Å²	154.2	86%	0.863	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	11.1	-175.5	-69.9	-76.8	0	0	0	114.2	P255	P255-Y257 PolarHBondContact O-N 3.49Å
258	Y	38	Very low	35.8	Very low	173 Å²	173	155.1 Å²	155.1	68%	0.678	77%	0.765	S	S	*	*			trans	-119.9	7.2	-176.2	-107.4	-82.8	0	0	0	116	Y230 D260	Y230-Y258 VanDerWaalsContact OH-CE1 3.26Å; Y230-Y258 WeakPolarHBondContact OH-CE1 3.48Å; Y258-D260 PolarHBondContact O-N 2.82Å
259	Y	34.3	Very low	36	Very low	184 Å²	184	155.7 Å²	155.7	72%	0.722	77%	0.765	S	S	*	*			trans	-93.3	77.7	166.8	-75.1	-72.9	0	0	0	110.4	K261	Y259-K261 PolarHBondContact O-N 3.01Å
260	D	35.2	Very low	36.6	Very low	131 Å²	131	157.1 Å²	157.1	70%	0.701	76%	0.76	S	S	*	*			trans	-71.7	119.9	152.6	-163.9	-24.7	0	0	0	107.2	Y258 S262	Y258-D260 PolarHBondContact O-N 2.82Å; D260-S262 VanDerWaalsContact OD1-CB 3.26Å; D260-S262 WeakPolarHBondContact OD1-CB 3.32Å; D260-S262 PolarHBondContact OD1-N 2.88Å; D260-S262 PolarHBondContact OD1-OG 3.13Å
261	K	40.8	Very low	36.9	Very low	175 Å²	175	158 Å²	158	76%	0.761	76%	0.759	S	S	*	*			trans	-103.7	24.7	179.5	-72.4	-166.2	173.4	-170.3	0	112	Y259 I263	Y259-K261 PolarHBondContact O-N 3.01Å; K261-I263 PolarHBondContact O-N 3.47Å
262	S	40.2	Very low	37.4	Very low	100 Å²	100	156.9 Å²	156.9	70%	0.699	76%	0.756	S	S	*	*			trans	-66.7	109.6	170.6	-57.9	0	0	0	0	110.1	D260	D260-S262 VanDerWaalsContact OD1-CB 3.26Å; D260-S262 WeakPolarHBondContact OD1-CB 3.32Å; D260-S262 PolarHBondContact OD1-N 2.88Å; D260-S262 PolarHBondContact OD1-OG 3.13Å
263	I	35.1	Very low	37.4	Very low	237 Å²	237	159 Å²	159	100%	1.215	76%	0.761	S	S	*	*			trans	-78.3	0	170.9	-59.9	170.4	0	0	0	108.8	K261	K261-I263 PolarHBondContact O-N 3.47Å

Retrieved 263 of 263 residues in 165.9 ms (Link to these results)

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