A0A5K4FBV5_SCHMA Loading...

Midasin

AlphaFold DB , UniProt , Accession A0A5K4FBV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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	52.8	Low	52.3	Low	230 Å²	230	132.3 Å²	132.3	100%	1.133	79%	0.79	S	S	*	*				0	91.3	0	-80.7	-173	-166.7	0	0	105.4	I3	M1-I3 PolarHBondContact O-N 3.08Å
2	D	49.9	Very low	52.8	Low	165 Å²	165	134.1 Å²	134.1	88%	0.882	79%	0.791	S	S	*	*			trans	-80	113	178	-55.8	-52	0	0	0	107.3	D4	D2-D4 PolarHBondContact O-N 3.33Å
3	I	56.2	Low	54	Low	128 Å²	128	133.3 Å²	133.3	66%	0.656	77%	0.766	S	S	*	*			trans	-84.5	94.7	176.2	-53.7	175.8	0	0	0	106.1	M1 F5	M1-I3 PolarHBondContact O-N 3.08Å; I3-F5 HydrophobicContact CB-CD2 4.34Å; I3-F5 HydrophobicContact CB-CE2 3.97Å; I3-F5 HydrophobicContact CG2-CD2 3.72Å; I3-F5 HydrophobicContact CG2-CE1 4.35Å; I3-F5 HydrophobicContact CG2-CE2 3.26Å; I3-F5 HydrophobicContact CG2-CG 4.45Å; I3-F5 HydrophobicContact CG2-CZ 3.62Å; I3-F5 PolarHBondContact O-N 3.45Å
4	D	52.2	Low	56	Low	136 Å²	136	125.6 Å²	125.6	73%	0.727	73%	0.731	S	S	*	*			trans	-68.1	103.7	171.7	-171.3	5.9	0	0	0	109.4	D2 G6	D2-D4 PolarHBondContact O-N 3.33Å; D4-G6 VanDerWaalsContact C-N 3.29Å; D4-G6 WeakPolarHBondContact OD1-CA 3.41Å; D4-G6 PolarHBondContact OD1-N 3.31Å
5	F	59.3	Low	57.8	Low	190 Å²	190	123.8 Å²	123.8	83%	0.833	72%	0.724	S	S	*	*			trans	-90.6	9.3	169.6	-76.8	-77.4	0	0	0	112.3	I3	I3-F5 HydrophobicContact CB-CD2 4.34Å; I3-F5 HydrophobicContact CB-CE2 3.97Å; I3-F5 HydrophobicContact CG2-CD2 3.72Å; I3-F5 HydrophobicContact CG2-CE1 4.35Å; I3-F5 HydrophobicContact CG2-CE2 3.26Å; I3-F5 HydrophobicContact CG2-CG 4.45Å; I3-F5 HydrophobicContact CG2-CZ 3.62Å; I3-F5 PolarHBondContact O-N 3.45Å
6	G	41.1	Very low	59.4	Low	37 Å²	37	124.3 Å²	124.3	38%	0.381	72%	0.718	S	S	.	*			trans	-89	128.3	178.1	0	0	0	0	0	112.2	D4	D4-G6 VanDerWaalsContact C-N 3.29Å; D4-G6 WeakPolarHBondContact OD1-CA 3.41Å; D4-G6 PolarHBondContact OD1-N 3.31Å
7	S	50.1	Low	61.2	Low	133 Å²	133	120.4 Å²	120.4	93%	0.93	70%	0.696	S	S	*	*	S	Bend	trans	98.7	11.4	156.2	-41.1	0	0	0	0	119.7
8	G	46.5	Very low	62.8	Low	69 Å²	69	115.1 Å²	115.1	71%	0.711	67%	0.667	S	S	*	*			trans	-125.2	107.7	171.4	0	0	0	0	0	112.9
9	S	53.9	Low	64.4	Low	88 Å²	88	116.9 Å²	116.9	62%	0.615	66%	0.663	S	S	*	*			trans	138.7	55.9	152.1	64.9	0	0	0	0	115.4	E11	S9-E11 PolarHBondContact O-N 3.05Å
10	G	55.8	Low	65.9	Low	91 Å²	91	116.1 Å²	116.1	94%	0.938	66%	0.656	S	S	*	*	S	Bend	trans	-68.4	-6.6	163.8	0	0	0	0	0	114.3
11	E	57.5	Low	67.2	Low	188 Å²	188	114.3 Å²	114.3	88%	0.879	64%	0.644	S	S	*	*	S	Bend	trans	-128	2.3	-159.6	-146.1	159.3	-168.3	0	0	114.9	S9	S9-E11 PolarHBondContact O-N 3.05Å
12	L	58.4	Low	69	Low	154 Å²	154	109.6 Å²	109.6	81%	0.806	62%	0.619	S	S	*	*	S	Bend	trans	-121.8	7.2	178	-69.1	173.6	0	0	0	113.8	G14	L12-G14 PolarHBondContact O-N 2.82Å; L12-G14 VanDerWaalsContact O-N 3.1Å
13	R	69	Low	70.9	Confident	124 Å²	124	104 Å²	104	47%	0.468	59%	0.592	S	S	.	*			trans	-87.6	79.5	-175.3	-162.4	-178.5	152.5	-168	-5	110.5	T17 S18 I21 E22	R13-T17 WeakPolarHBondContact CA-OG1 3.42Å; R13-T17 WeakPolarHBondContact CG-OG1 3.48Å; R13-S18 WeakPolarHBondContact CG-OG 3.5Å; R13-S18 PolarHBondContact NE-OG 3.03Å; R13-I21 HydrophobicContact CG-CD1 4.4Å; R13-E22 IonicContact NH2-OE1 3.99Å; R13-E22 PolarHBondContact NH2-OE1 3.41Å
14	G	81.3	Confident	72.7	Confident	26 Å²	26	100.8 Å²	100.8	27%	0.268	58%	0.579	S	S	.	*			trans	-60.7	160.4	170.3	0	0	0	0	0	112.2	L12 E16 T17 S18	L12-G14 PolarHBondContact O-N 2.82Å; L12-G14 VanDerWaalsContact O-N 3.1Å; G14-E16 PolarHBondContact O-N 3.05Å; G14-E16 VanDerWaalsContact O-N 3.16Å; G14-T17 PolarHBondContact N-OG1 2.88Å; G14-T17 PolarHBondContact O-N 3.4Å; G14-T17 PolarHBondContact O-OG1 3.12Å; G14-S18 PolarHBondContact O-N 3.15Å; G14-S18 PolarHBondContact O-OG 3.07Å
15	P	83.6	Confident	74.8	Confident	98 Å²	98	94.8 Å²	94.8	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-55.8	-34.6	-177.3	21.7	-30.7	0	0	0	112.7	S18 Y19	P15-S18 WeakPolarHBondContact O-CB 3.3Å; P15-S18 PolarHBondContact O-N 2.97Å; P15-Y19 WeakPolarHBondContact O-CB 3.39Å; P15-Y19 PolarHBondContact O-N 3.18Å
16	E	83.4	Confident	76.4	Confident	132 Å²	132	88.9 Å²	88.9	62%	0.617	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-43.1	176.4	-57.1	77	-168	0	0	111.5	G14 Y19 L20	G14-E16 PolarHBondContact O-N 3.05Å; G14-E16 VanDerWaalsContact O-N 3.16Å; E16-Y19 PolarHBondContact O-N 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 2.95Å
17	T	89.9	Confident	79	Confident	58 Å²	58	87.4 Å²	87.4	36%	0.356	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-37.7	177.6	65.3	0	0	0	0	111.5	R13 G14 L20 I21	R13-T17 WeakPolarHBondContact CA-OG1 3.42Å; R13-T17 WeakPolarHBondContact CG-OG1 3.48Å; G14-T17 PolarHBondContact N-OG1 2.88Å; G14-T17 PolarHBondContact O-N 3.4Å; G14-T17 PolarHBondContact O-OG1 3.12Å; T17-L20 PolarHBondContact O-N 3.15Å; T17-I21 WeakPolarHBondContact O-CB 3.25Å; T17-I21 WeakPolarHBondContact O-CD1 3.49Å; T17-I21 WeakPolarHBondContact O-CG1 3.43Å; T17-I21 PolarHBondContact O-N 3.42Å
18	S	90.5	Very high	81.3	Confident	25 Å²	25	83.7 Å²	83.7	18%	0.175	48%	0.484	C	S	.	.	H	α-helix	trans	-59.3	-49	172.4	-67.5	0	0	0	0	111.3	R13 G14 P15 L20 I21 E22	R13-S18 WeakPolarHBondContact CG-OG 3.5Å; R13-S18 PolarHBondContact NE-OG 3.03Å; G14-S18 PolarHBondContact O-N 3.15Å; G14-S18 PolarHBondContact O-OG 3.07Å; P15-S18 WeakPolarHBondContact O-CB 3.3Å; P15-S18 PolarHBondContact O-N 2.97Å; S18-L20 PolarHBondContact O-N 3.46Å; S18-I21 PolarHBondContact O-N 3.29Å; S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 VanDerWaalsContact O-CG 3.31Å; S18-E22 WeakPolarHBondContact O-CG 3.4Å; S18-E22 PolarHBondContact O-N 3.02Å
19	Y	92.5	Very high	83.7	Confident	150 Å²	150	87.6 Å²	87.6	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-58.1	-47.9	178.7	177.9	-98.1	0	0	0	111.6	P15 E16 I21 E22 C23	P15-Y19 WeakPolarHBondContact O-CB 3.39Å; P15-Y19 PolarHBondContact O-N 3.18Å; E16-Y19 PolarHBondContact O-N 3.32Å; Y19-I21 PolarHBondContact O-N 3.23Å; Y19-E22 PolarHBondContact O-N 3.17Å; Y19-C23 HydrophobicContact CE1-CB 4.49Å; Y19-C23 WeakPolarHBondContact CE2-SG 3.4Å; Y19-C23 VanDerWaalsContact CZ-SG 3.58Å; Y19-C23 VanDerWaalsContact O-CB 3.27Å; Y19-C23 WeakPolarHBondContact O-CB 3.32Å; Y19-C23 PolarHBondContact O-N 3.34Å; Y19-C23 PolarHBondContact O-SG 3.44Å; Y19-C23 VanDerWaalsContact O-SG 3.34Å
20	L	94.2	Very high	85.7	Confident	99 Å²	99	89.3 Å²	89.3	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-41.6	178.6	-69.4	174.7	0	0	0	112.5	E16 T17 S18 E22 V24 G25	E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 2.95Å; T17-L20 PolarHBondContact O-N 3.15Å; S18-L20 PolarHBondContact O-N 3.46Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.09Å; L20-V24 HydrophobicContact CB-CG2 4.48Å; L20-V24 HydrophobicContact CD2-CG2 4.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.2Å; L20-G25 PolarHBondContact O-N 3.3Å
21	I	92.4	Very high	87.7	Confident	80 Å²	80	86.1 Å²	86.1	41%	0.41	44%	0.436	S	S	.	.	I	π-helix	trans	-62	-42.9	177.5	-70.9	165.5	0	0	0	110.9	R13 T17 S18 Y19 G25	R13-I21 HydrophobicContact CG-CD1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.25Å; T17-I21 WeakPolarHBondContact O-CD1 3.49Å; T17-I21 WeakPolarHBondContact O-CG1 3.43Å; T17-I21 PolarHBondContact O-N 3.42Å; S18-I21 PolarHBondContact O-N 3.29Å; Y19-I21 PolarHBondContact O-N 3.23Å; I21-G25 VanDerWaalsContact O-CA 3.32Å; I21-G25 WeakPolarHBondContact O-CA 3.41Å; I21-G25 PolarHBondContact O-N 3.28Å
22	E	91.7	Very high	89.6	Confident	130 Å²	130	81.4 Å²	81.4	61%	0.607	42%	0.416	S	S	*	.	I	π-helix	trans	-73.3	-43.5	-178.1	-73.8	167	-157.9	0	0	112.2	R13 S18 Y19 L20	R13-E22 IonicContact NH2-OE1 3.99Å; R13-E22 PolarHBondContact NH2-OE1 3.41Å; S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 VanDerWaalsContact O-CG 3.31Å; S18-E22 WeakPolarHBondContact O-CG 3.4Å; S18-E22 PolarHBondContact O-N 3.02Å; Y19-E22 PolarHBondContact O-N 3.17Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.09Å
23	C	90.5	Very high	91.5	Very high	47 Å²	47	76.5 Å²	76.5	32%	0.318	40%	0.397	S	S	.	.	I	π-helix	trans	-82	-38.8	-173.3	-66.6	0	0	0	0	113.8	Y19	Y19-C23 HydrophobicContact CE1-CB 4.49Å; Y19-C23 WeakPolarHBondContact CE2-SG 3.4Å; Y19-C23 VanDerWaalsContact CZ-SG 3.58Å; Y19-C23 VanDerWaalsContact O-CB 3.27Å; Y19-C23 WeakPolarHBondContact O-CB 3.32Å; Y19-C23 PolarHBondContact O-N 3.34Å; Y19-C23 PolarHBondContact O-SG 3.44Å; Y19-C23 VanDerWaalsContact O-SG 3.34Å
24	V	93.7	Very high	92.9	Very high	62 Å²	62	72.4 Å²	72.4	38%	0.376	38%	0.383	S	S	.	.	I	π-helix	trans	-129.5	-11.1	-172.1	-62.3	0	0	0	0	113.8	L20 S26 V27 L28	L20-V24 HydrophobicContact CB-CG2 4.48Å; L20-V24 HydrophobicContact CD2-CG2 4.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.2Å; V24-S26 PolarHBondContact O-N 2.74Å; V24-V27 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CB-CD1 4.01Å; V24-L28 HydrophobicContact CB-CG 4.29Å; V24-L28 HydrophobicContact CG2-CD1 3.77Å; V24-L28 WeakPolarHBondContact O-CB 3.36Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.2Å
25	G	94.7	Very high	93.6	Very high	10 Å²	10	72.3 Å²	72.3	10%	0.103	38%	0.378	C	S	.	.	I	π-helix	trans	-60.8	-43.4	-171.9	0	0	0	0	0	114.1	L20 I21 R29	L20-G25 PolarHBondContact O-N 3.3Å; I21-G25 VanDerWaalsContact O-CA 3.32Å; I21-G25 WeakPolarHBondContact O-CA 3.41Å; I21-G25 PolarHBondContact O-N 3.28Å; G25-R29 VanDerWaalsContact C-CZ 3.48Å; G25-R29 WeakPolarHBondContact O-CB 3.32Å; G25-R29 VanDerWaalsContact O-CG 3.29Å; G25-R29 WeakPolarHBondContact O-CG 3.38Å; G25-R29 VanDerWaalsContact O-CZ 3.24Å; G25-R29 PolarHBondContact O-N 3Å; G25-R29 VanDerWaalsContact O-N 3.1Å; G25-R29 PolarHBondContact O-NE 2.95Å; G25-R29 PolarHBondContact O-NH1 3.14Å
26	S	94.5	Very high	94.3	Very high	65 Å²	65	72 Å²	72	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-48.3	178.4	51.1	0	0	0	0	112.1	V24 R29 Q30	V24-S26 PolarHBondContact O-N 2.74Å; S26-R29 PolarHBondContact O-N 3.37Å; S26-Q30 PolarHBondContact O-N 3.4Å
27	V	95.5	Very high	95	Very high	6 Å²	6	72.3 Å²	72.3	4%	0.036	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-45.6	-177.9	-176.4	0	0	0	0	111	V24 Q30 Y31 L51 Y54	V24-V27 PolarHBondContact O-N 3.43Å; V27-Q30 PolarHBondContact O-N 2.92Å; V27-Y31 HydrophobicContact CG1-CD2 3.68Å; V27-Y31 HydrophobicContact CG1-CE2 3.54Å; V27-Y31 WeakPolarHBondContact O-CD2 3.19Å; V27-Y31 PolarHBondContact O-N 2.96Å; V27-L51 HydrophobicContact CG1-CD2 3.72Å; V27-Y54 HydrophobicContact CB-CE1 4.43Å; V27-Y54 HydrophobicContact CG1-CD1 3.83Å; V27-Y54 HydrophobicContact CG1-CD2 3.99Å; V27-Y54 HydrophobicContact CG1-CE1 4.09Å; V27-Y54 HydrophobicContact CG1-CE2 4.24Å; V27-Y54 HydrophobicContact CG1-CG 3.78Å; V27-Y54 HydrophobicContact CG2-CD1 4.18Å; V27-Y54 HydrophobicContact CG2-CD2 4.25Å; V27-Y54 HydrophobicContact CG2-CE1 3.56Å; V27-Y54 HydrophobicContact CG2-CE2 3.65Å; V27-Y54 HydrophobicContact CG2-CG 4.5Å; V27-Y54 WeakPolarHBondContact CG2-OH 3.46Å
28	L	97.3	Very high	95.3	Very high	56 Å²	56	74.8 Å²	74.8	29%	0.293	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-43.8	176.9	-72.8	174.7	0	0	0	111.4	V24 Q30 Y31 I32 L51	V24-L28 HydrophobicContact CB-CD1 4.01Å; V24-L28 HydrophobicContact CB-CG 4.29Å; V24-L28 HydrophobicContact CG2-CD1 3.77Å; V24-L28 WeakPolarHBondContact O-CB 3.36Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.2Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 3.43Å; L28-Y31 PolarHBondContact O-N 2.77Å; L28-I32 HydrophobicContact CB-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.26Å; L28-I32 WeakPolarHBondContact O-CD1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.12Å; L28-L51 HydrophobicContact CD2-CD1 4.08Å; L28-L51 HydrophobicContact CD2-CD2 4.2Å
29	R	97.1	Very high	95.6	Very high	151 Å²	151	83.5 Å²	83.5	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-57.2	-44.8	176.1	-79.7	-174.1	-64.1	-91.5	4.3	111.9	G25 S26 A33	G25-R29 VanDerWaalsContact C-CZ 3.48Å; G25-R29 WeakPolarHBondContact O-CB 3.32Å; G25-R29 VanDerWaalsContact O-CG 3.29Å; G25-R29 WeakPolarHBondContact O-CG 3.38Å; G25-R29 VanDerWaalsContact O-CZ 3.24Å; G25-R29 PolarHBondContact O-N 3Å; G25-R29 VanDerWaalsContact O-N 3.1Å; G25-R29 PolarHBondContact O-NE 2.95Å; G25-R29 PolarHBondContact O-NH1 3.14Å; S26-R29 PolarHBondContact O-N 3.37Å; R29-A33 WeakPolarHBondContact O-CB 3.22Å; R29-A33 PolarHBondContact O-N 3.07Å; R29-A33 VanDerWaalsContact O-N 3.08Å
30	Q	96.9	Very high	95.9	Very high	124 Å²	124	77.8 Å²	77.8	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-62.5	-52.9	179.2	-178.5	173.8	3.4	0	0	112	S26 V27 L28 I32 A33 E34	S26-Q30 PolarHBondContact O-N 3.4Å; V27-Q30 PolarHBondContact O-N 2.92Å; L28-Q30 VanDerWaalsContact C-N 3.3Å; L28-Q30 PolarHBondContact O-N 3.43Å; Q30-I32 PolarHBondContact O-N 3.4Å; Q30-A33 WeakPolarHBondContact O-CB 3.3Å; Q30-A33 PolarHBondContact O-N 3.42Å; Q30-E34 PolarHBondContact O-N 3.34Å
31	Y	97.3	Very high	96	Very high	24 Å²	24	80.6 Å²	80.6	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-73	-28.5	-177.3	-68.9	-48.3	0	0	0	113.5	V27 L28 A33 E34 V35 L47 C50 L51 Y54	V27-Y31 HydrophobicContact CG1-CD2 3.68Å; V27-Y31 HydrophobicContact CG1-CE2 3.54Å; V27-Y31 WeakPolarHBondContact O-CD2 3.19Å; V27-Y31 PolarHBondContact O-N 2.96Å; L28-Y31 PolarHBondContact O-N 2.77Å; Y31-A33 VanDerWaalsContact C-N 3.34Å; Y31-E34 WeakPolarHBondContact CD1-OE2 3.4Å; Y31-E34 PolarHBondContact O-N 2.85Å; Y31-V35 VanDerWaalsContact O-CG2 3.26Å; Y31-V35 WeakPolarHBondContact O-CG2 3.38Å; Y31-V35 PolarHBondContact O-N 3.05Å; Y31-L47 VanDerWaalsContact CB-CD1 3.44Å; Y31-L47 HydrophobicContact CG-CD1 4.42Å; Y31-C50 HydrophobicContact CD1-CB 3.61Å; Y31-C50 HydrophobicContact CD2-CB 3.87Å; Y31-C50 HydrophobicContact CE1-CB 3.75Å; Y31-C50 HydrophobicContact CE2-CB 3.99Å; Y31-C50 HydrophobicContact CG-CB 3.68Å; Y31-L51 HydrophobicContact CD2-CD2 3.96Å; Y31-L51 HydrophobicContact CD2-CG 4.5Å; Y31-L51 HydrophobicContact CE2-CD2 4.32Å; Y31-Y54 HydrophobicContact CE2-CG 4.39Å
32	I	98	Very high	96.3	Very high	89 Å²	89	80.7 Å²	80.7	46%	0.456	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-42.7	170	-70.7	167.1	0	0	0	110	L28 Q30 E34 V35 V36	L28-I32 HydrophobicContact CB-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.26Å; L28-I32 WeakPolarHBondContact O-CD1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.12Å; Q30-I32 PolarHBondContact O-N 3.4Å; I32-E34 VanDerWaalsContact C-N 3.3Å; I32-E34 PolarHBondContact O-N 3.14Å; I32-V35 PolarHBondContact O-N 3.03Å; I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.47Å
33	A	97.9	Very high	96.6	Very high	51 Å²	51	77.5 Å²	77.5	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-42	174.5	0	0	0	0	0	111.4	R29 Q30 Y31 V36 I37	R29-A33 WeakPolarHBondContact O-CB 3.22Å; R29-A33 PolarHBondContact O-N 3.07Å; R29-A33 VanDerWaalsContact O-N 3.08Å; Q30-A33 WeakPolarHBondContact O-CB 3.3Å; Q30-A33 PolarHBondContact O-N 3.42Å; Y31-A33 VanDerWaalsContact C-N 3.34Å; A33-V36 PolarHBondContact O-N 3.03Å; A33-I37 WeakPolarHBondContact O-CD1 3.17Å; A33-I37 VanDerWaalsContact O-CG1 3.28Å; A33-I37 WeakPolarHBondContact O-CG1 3.38Å; A33-I37 PolarHBondContact O-N 3.29Å
34	E	97.1	Very high	96.9	Very high	37 Å²	37	81.7 Å²	81.7	17%	0.173	43%	0.425	C	S	.	.	H	α-helix	trans	-63.8	-42	176	-173.2	170.5	176.3	0	0	112.9	Q30 Y31 I32 V36 I37 K38 Y46	Q30-E34 PolarHBondContact O-N 3.34Å; Y31-E34 WeakPolarHBondContact CD1-OE2 3.4Å; Y31-E34 PolarHBondContact O-N 2.85Å; I32-E34 VanDerWaalsContact C-N 3.3Å; I32-E34 PolarHBondContact O-N 3.14Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.99Å; E34-I37 PolarHBondContact O-N 3.46Å; E34-K38 HydrophobicContact CG-CD 3.85Å; E34-K38 HydrophobicContact CG-CG 4.33Å; E34-K38 WeakPolarHBondContact O-CB 3.41Å; E34-K38 PolarHBondContact O-N 2.93Å; E34-K38 VanDerWaalsContact OE1-CE 3.29Å; E34-K38 WeakPolarHBondContact OE1-CE 3.31Å; E34-K38 IonicContact OE1-NZ 2.69Å; E34-K38 PolarHBondContact OE1-NZ 3.34Å; E34-Y46 HydrophobicContact CG-CE1 4.29Å; E34-Y46 PolarHBondContact OE1-OH 3Å
35	V	97.9	Very high	97.2	Very high	24 Å²	24	82.3 Å²	82.3	15%	0.145	43%	0.426	C	S	.	.	H	α-helix	trans	-59.7	-43	173.7	167.6	0	0	0	0	110.9	Y31 I32 I37 R39 P40 P43 Y46 L47	Y31-V35 VanDerWaalsContact O-CG2 3.26Å; Y31-V35 WeakPolarHBondContact O-CG2 3.38Å; Y31-V35 PolarHBondContact O-N 3.05Å; I32-V35 PolarHBondContact O-N 3.03Å; V35-I37 VanDerWaalsContact C-N 3.31Å; V35-I37 PolarHBondContact O-N 3.05Å; V35-R39 WeakPolarHBondContact O-CA 3.48Å; V35-R39 PolarHBondContact O-N 2.98Å; V35-P40 HydrophobicContact CG1-CG 4.49Å; V35-P43 HydrophobicContact CG1-CB 3.66Å; V35-Y46 HydrophobicContact CG2-CD1 3.66Å; V35-Y46 HydrophobicContact CG2-CE1 4.18Å; V35-L47 HydrophobicContact CG2-CB 4.43Å
36	V	97.5	Very high	97.3	Very high	92 Å²	92	82.8 Å²	82.8	56%	0.558	43%	0.425	S	S	*	.	H	α-helix	trans	-63.5	-38.1	177.9	170.7	0	0	0	0	111.5	I32 A33 E34 R39	I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.47Å; A33-V36 PolarHBondContact O-N 3.03Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 2.99Å; V36-R39 WeakPolarHBondContact O-CG 3.34Å
37	I	97.5	Very high	97.5	Very high	138 Å²	138	81.5 Å²	81.5	71%	0.708	41%	0.413	S	S	*	.	H	α-helix	trans	-72.3	-51.6	178.4	-68	164	0	0	0	111.2	A33 E34 V35	A33-I37 WeakPolarHBondContact O-CD1 3.17Å; A33-I37 VanDerWaalsContact O-CG1 3.28Å; A33-I37 WeakPolarHBondContact O-CG1 3.38Å; A33-I37 PolarHBondContact O-N 3.29Å; E34-I37 PolarHBondContact O-N 3.46Å; V35-I37 VanDerWaalsContact C-N 3.31Å; V35-I37 PolarHBondContact O-N 3.05Å
38	K	96.9	Very high	97.6	Very high	111 Å²	111	83 Å²	83	48%	0.483	43%	0.43	S	S	.	.	H	α-helix	trans	-80.5	-27.1	-171.8	-71.1	-176.4	175.6	177.2	0	113.8	E34 Y46	E34-K38 HydrophobicContact CG-CD 3.85Å; E34-K38 HydrophobicContact CG-CG 4.33Å; E34-K38 WeakPolarHBondContact O-CB 3.41Å; E34-K38 PolarHBondContact O-N 2.93Å; E34-K38 VanDerWaalsContact OE1-CE 3.29Å; E34-K38 WeakPolarHBondContact OE1-CE 3.31Å; E34-K38 IonicContact OE1-NZ 2.69Å; E34-K38 PolarHBondContact OE1-NZ 3.34Å; K38-Y46 HydrophobicContact CD-CE1 4.49Å; K38-Y46 VanDerWaalsContact CD-OH 3.24Å; K38-Y46 WeakPolarHBondContact CD-OH 3.4Å; K38-Y46 PolarHBondContact NZ-OH 3.38Å
39	R	97.2	Very high	97.5	Very high	207 Å²	207	85.1 Å²	85.1	78%	0.781	43%	0.434	S	S	*	.			trans	45.8	59.2	-176.6	-59.1	-171.2	176.5	-155.4	-0.4	112.7	V35 V36	V35-R39 WeakPolarHBondContact O-CA 3.48Å; V35-R39 PolarHBondContact O-N 2.98Å; V36-R39 WeakPolarHBondContact O-CG 3.34Å
40	P	97.5	Very high	97.5	Very high	31 Å²	31	78 Å²	78	20%	0.201	41%	0.407	C	S	.	.			trans	-57.8	154.9	176.5	29.8	-38.7	0	0	0	111.1	V35 D42 P43 Y46	V35-P40 HydrophobicContact CG1-CG 4.49Å; P40-D42 PolarHBondContact O-N 2.96Å; P40-P43 HydrophobicContact CG-CB 4.28Å; P40-Y46 HydrophobicContact CB-CD2 4.02Å; P40-Y46 HydrophobicContact CB-CG 3.86Å; P40-Y46 HydrophobicContact CG-CD1 3.97Å; P40-Y46 HydrophobicContact CG-CD2 4.31Å; P40-Y46 HydrophobicContact CG-CG 3.68Å
41	V	97.5	Very high	97.5	Very high	158 Å²	158	74.5 Å²	74.5	96%	0.958	39%	0.392	S	S	*	.	S	Bend	trans	-58.4	-39.4	178.5	178.1	0	0	0	0	111.1
42	D	98.1	Very high	97.5	Very high	81 Å²	81	79.8 Å²	79.8	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	-120.7	101.8	172.1	-169.7	-28.8	0	0	0	109.7	P40 I44 D45 Y46	P40-D42 PolarHBondContact O-N 2.96Å; D42-I44 VanDerWaalsContact C-N 3.31Å; D42-I44 PolarHBondContact O-N 2.97Å; D42-I44 PolarHBondContact OD1-N 3.42Å; D42-D45 HydrophobicContact CB-CB 3.93Å; D42-D45 PolarHBondContact OD1-N 2.96Å; D42-Y46 VanDerWaalsContact O-CB 3.24Å; D42-Y46 WeakPolarHBondContact O-CB 3.44Å; D42-Y46 PolarHBondContact O-N 2.99Å; D42-Y46 VanDerWaalsContact O-N 3.07Å
43	P	97.9	Very high	97.3	Very high	63 Å²	63	77 Å²	77	41%	0.409	40%	0.402	S	S	.	.	H	α-helix	trans	-70.8	-25.2	-179.1	28.3	-34.1	0	0	0	113.6	V35 P40 L47	V35-P43 HydrophobicContact CG1-CB 3.66Å; P40-P43 HydrophobicContact CG-CB 4.28Å; P43-L47 VanDerWaalsContact O-CB 3.26Å; P43-L47 WeakPolarHBondContact O-CB 3.11Å; P43-L47 PolarHBondContact O-N 3.04Å; P43-L47 VanDerWaalsContact O-N 3.1Å
44	I	98.1	Very high	97.2	Very high	136 Å²	136	77.9 Å²	77.9	70%	0.697	40%	0.395	S	S	*	.	H	α-helix	trans	-76.6	-49.5	-179.6	-62.1	175.9	0	0	0	108.9	D42 Y46 L47 G48	D42-I44 VanDerWaalsContact C-N 3.31Å; D42-I44 PolarHBondContact O-N 2.97Å; D42-I44 PolarHBondContact OD1-N 3.42Å; I44-Y46 VanDerWaalsContact C-N 3.33Å; I44-Y46 PolarHBondContact O-N 3.37Å; I44-L47 PolarHBondContact O-N 3.36Å; I44-G48 PolarHBondContact O-N 3Å
45	D	98	Very high	97	Very high	74 Å²	74	80.6 Å²	80.6	40%	0.396	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.1	173.2	69.8	0	0	0	111.6	D42 L47 G48 R49	D42-D45 HydrophobicContact CB-CB 3.93Å; D42-D45 PolarHBondContact OD1-N 2.96Å; D45-L47 PolarHBondContact O-N 3.16Å; D45-G48 PolarHBondContact O-N 3.48Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD1-NE 2.62Å; D45-R49 IonicContact OD2-CZ 2.83Å; D45-R49 IonicContact OD2-NE 3.44Å; D45-R49 PolarHBondContact OD2-NE 3.44Å; D45-R49 IonicContact OD2-NH2 3.09Å; D45-R49 PolarHBondContact OD2-NH2 3.34Å
46	Y	98.1	Very high	96.8	Very high	20 Å²	20	85.6 Å²	85.6	8%	0.078	43%	0.426	C	S	.	.	H	α-helix	trans	-59.4	-47.5	176.5	-176	-94.7	0	0	0	112.3	E34 V35 K38 P40 D42 I44 G48 R49 C50	E34-Y46 HydrophobicContact CG-CE1 4.29Å; E34-Y46 PolarHBondContact OE1-OH 3Å; V35-Y46 HydrophobicContact CG2-CD1 3.66Å; V35-Y46 HydrophobicContact CG2-CE1 4.18Å; K38-Y46 HydrophobicContact CD-CE1 4.49Å; K38-Y46 VanDerWaalsContact CD-OH 3.24Å; K38-Y46 WeakPolarHBondContact CD-OH 3.4Å; K38-Y46 PolarHBondContact NZ-OH 3.38Å; P40-Y46 HydrophobicContact CB-CD2 4.02Å; P40-Y46 HydrophobicContact CB-CG 3.86Å; P40-Y46 HydrophobicContact CG-CD1 3.97Å; P40-Y46 HydrophobicContact CG-CD2 4.31Å; P40-Y46 HydrophobicContact CG-CG 3.68Å; D42-Y46 VanDerWaalsContact O-CB 3.24Å; D42-Y46 WeakPolarHBondContact O-CB 3.44Å; D42-Y46 PolarHBondContact O-N 2.99Å; D42-Y46 VanDerWaalsContact O-N 3.07Å; I44-Y46 VanDerWaalsContact C-N 3.33Å; I44-Y46 PolarHBondContact O-N 3.37Å; Y46-G48 VanDerWaalsContact C-N 3.32Å; Y46-G48 PolarHBondContact O-N 2.83Å; Y46-R49 PolarHBondContact O-N 2.79Å; Y46-C50 WeakPolarHBondContact CE1-SG 3.43Å; Y46-C50 PolarHBondContact O-N 3.15Å; Y46-C50 PolarHBondContact O-SG 2.96Å; Y46-C50 VanDerWaalsContact O-SG 3.39Å
47	L	97.9	Very high	96.6	Very high	38 Å²	38	83.7 Å²	83.7	20%	0.199	41%	0.412	C	S	.	.	H	α-helix	trans	-61.9	-40.7	177.2	-178.1	62	0	0	0	111.5	Y31 V35 P43 I44 D45 R49 C50 L51	Y31-L47 VanDerWaalsContact CB-CD1 3.44Å; Y31-L47 HydrophobicContact CG-CD1 4.42Å; V35-L47 HydrophobicContact CG2-CB 4.43Å; P43-L47 VanDerWaalsContact O-CB 3.26Å; P43-L47 WeakPolarHBondContact O-CB 3.11Å; P43-L47 PolarHBondContact O-N 3.04Å; P43-L47 VanDerWaalsContact O-N 3.1Å; I44-L47 PolarHBondContact O-N 3.36Å; D45-L47 PolarHBondContact O-N 3.16Å; L47-R49 PolarHBondContact O-N 3.41Å; L47-C50 WeakPolarHBondContact O-CB 3.44Å; L47-C50 PolarHBondContact O-N 2.95Å; L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.1Å
48	G	97.4	Very high	96.4	Very high	39 Å²	39	82.6 Å²	82.6	40%	0.402	40%	0.399	S	S	.	.	H	α-helix	trans	-58.5	-45.1	174.9	0	0	0	0	0	112.5	I44 D45 Y46 L51 K52	I44-G48 PolarHBondContact O-N 3Å; D45-G48 PolarHBondContact O-N 3.48Å; Y46-G48 VanDerWaalsContact C-N 3.32Å; Y46-G48 PolarHBondContact O-N 2.83Å; G48-L51 PolarHBondContact O-N 2.97Å; G48-K52 WeakPolarHBondContact O-CB 3.47Å; G48-K52 PolarHBondContact O-N 2.7Å
49	R	97	Very high	96.2	Very high	99 Å²	99	81.8 Å²	81.8	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-43.1	175.1	-73.2	-174.8	-81.2	161.2	-5.8	112.3	D45 Y46 L47 K52 N53	D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD1-NE 2.62Å; D45-R49 IonicContact OD2-CZ 2.83Å; D45-R49 IonicContact OD2-NE 3.44Å; D45-R49 PolarHBondContact OD2-NE 3.44Å; D45-R49 IonicContact OD2-NH2 3.09Å; D45-R49 PolarHBondContact OD2-NH2 3.34Å; Y46-R49 PolarHBondContact O-N 2.79Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-K52 PolarHBondContact O-N 3.28Å; R49-N53 WeakPolarHBondContact O-CB 3.4Å; R49-N53 PolarHBondContact O-N 3.25Å
50	C	96.6	Very high	96	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.007	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-47.4	175.1	-72.9	0	0	0	0	112.1	Y31 Y46 L47 N53 Y54	Y31-C50 HydrophobicContact CD1-CB 3.61Å; Y31-C50 HydrophobicContact CD2-CB 3.87Å; Y31-C50 HydrophobicContact CE1-CB 3.75Å; Y31-C50 HydrophobicContact CE2-CB 3.99Å; Y31-C50 HydrophobicContact CG-CB 3.68Å; Y46-C50 WeakPolarHBondContact CE1-SG 3.43Å; Y46-C50 PolarHBondContact O-N 3.15Å; Y46-C50 PolarHBondContact O-SG 2.96Å; Y46-C50 VanDerWaalsContact O-SG 3.39Å; L47-C50 WeakPolarHBondContact O-CB 3.44Å; L47-C50 PolarHBondContact O-N 2.95Å; C50-N53 PolarHBondContact O-N 3.14Å; C50-Y54 WeakPolarHBondContact O-CB 3.5Å; C50-Y54 PolarHBondContact O-N 3.17Å
51	L	96.9	Very high	95.7	Very high	51 Å²	51	79.5 Å²	79.5	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-40.1	179.8	-69.1	172.8	0	0	0	112.5	V27 L28 Y31 L47 G48 N53 Y54 I55	V27-L51 HydrophobicContact CG1-CD2 3.72Å; L28-L51 HydrophobicContact CD2-CD1 4.08Å; L28-L51 HydrophobicContact CD2-CD2 4.2Å; Y31-L51 HydrophobicContact CD2-CD2 3.96Å; Y31-L51 HydrophobicContact CD2-CG 4.5Å; Y31-L51 HydrophobicContact CE2-CD2 4.32Å; L47-L51 HydrophobicContact CD1-CD1 4.44Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.1Å; G48-L51 PolarHBondContact O-N 2.97Å; L51-N53 VanDerWaalsContact C-N 3.32Å; L51-N53 PolarHBondContact O-N 3.18Å; L51-Y54 WeakPolarHBondContact O-CB 3.31Å; L51-Y54 PolarHBondContact O-N 3.14Å; L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.19Å
52	K	96.2	Very high	95.4	Very high	136 Å²	136	75.6 Å²	75.6	59%	0.591	37%	0.37	S	S	*	.	H	α-helix	trans	-60.3	-43.2	174.5	-173.7	178.1	-179.2	-178.5	0	111.3	G48 R49 R56 N186	G48-K52 WeakPolarHBondContact O-CB 3.47Å; G48-K52 PolarHBondContact O-N 2.7Å; R49-K52 PolarHBondContact O-N 3.28Å; K52-R56 PolarHBondContact O-N 3.48Å; K52-N186 PolarHBondContact NZ-OD1 3.29Å
53	N	94.6	Very high	95	Very high	31 Å²	31	78.9 Å²	78.9	17%	0.166	38%	0.38	C	S	.	.	H	α-helix	trans	-67.6	-39.3	176.6	-175.9	56.4	0	0	0	112.3	R49 C50 L51 I55 R56 I57	R49-N53 WeakPolarHBondContact O-CB 3.4Å; R49-N53 PolarHBondContact O-N 3.25Å; C50-N53 PolarHBondContact O-N 3.14Å; L51-N53 VanDerWaalsContact C-N 3.32Å; L51-N53 PolarHBondContact O-N 3.18Å; N53-I55 PolarHBondContact O-N 2.73Å; N53-R56 WeakPolarHBondContact O-CB 3.45Å; N53-R56 PolarHBondContact O-N 3.18Å; N53-R56 PolarHBondContact OD1-NE 3.49Å; N53-R56 PolarHBondContact OD1-NH2 3.34Å; N53-I57 WeakPolarHBondContact ND2-CD1 3.45Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.42Å
54	Y	95.1	Very high	94.6	Very high	68 Å²	68	81 Å²	81	27%	0.267	39%	0.385	S	S	.	.	H	α-helix	trans	-57.3	-47.2	175.2	172.9	-98.8	0	0	0	112.1	V27 Y31 C50 L51 R56 I57 R58	V27-Y54 HydrophobicContact CB-CE1 4.43Å; V27-Y54 HydrophobicContact CG1-CD1 3.83Å; V27-Y54 HydrophobicContact CG1-CD2 3.99Å; V27-Y54 HydrophobicContact CG1-CE1 4.09Å; V27-Y54 HydrophobicContact CG1-CE2 4.24Å; V27-Y54 HydrophobicContact CG1-CG 3.78Å; V27-Y54 HydrophobicContact CG2-CD1 4.18Å; V27-Y54 HydrophobicContact CG2-CD2 4.25Å; V27-Y54 HydrophobicContact CG2-CE1 3.56Å; V27-Y54 HydrophobicContact CG2-CE2 3.65Å; V27-Y54 HydrophobicContact CG2-CG 4.5Å; V27-Y54 WeakPolarHBondContact CG2-OH 3.46Å; Y31-Y54 HydrophobicContact CE2-CG 4.39Å; C50-Y54 WeakPolarHBondContact O-CB 3.5Å; C50-Y54 PolarHBondContact O-N 3.17Å; L51-Y54 WeakPolarHBondContact O-CB 3.31Å; L51-Y54 PolarHBondContact O-N 3.14Å; Y54-R56 VanDerWaalsContact C-N 3.34Å; Y54-R56 PolarHBondContact O-N 3.03Å; Y54-I57 PolarHBondContact O-N 3.06Å; Y54-R58 WeakPolarHBondContact O-CB 3.44Å; Y54-R58 PolarHBondContact O-N 3.01Å
55	I	93.6	Very high	94.1	Very high	95 Å²	95	77.7 Å²	77.7	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-46.9	177.3	-66	165.4	0	0	0	110.3	L51 N53 I57 R58 D59	L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.19Å; N53-I55 PolarHBondContact O-N 2.73Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å; I55-R58 PolarHBondContact O-N 3.27Å; I55-D59 PolarHBondContact O-N 3.47Å
56	R	94.5	Very high	93.5	Very high	129 Å²	129	79 Å²	79	49%	0.487	38%	0.38	S	S	.	.	H	α-helix	trans	-57	-44.3	178	-174.8	-167.4	64.9	75.4	-0.1	112.5	K52 N53 Y54 I60	K52-R56 PolarHBondContact O-N 3.48Å; N53-R56 WeakPolarHBondContact O-CB 3.45Å; N53-R56 PolarHBondContact O-N 3.18Å; N53-R56 PolarHBondContact OD1-NE 3.49Å; N53-R56 PolarHBondContact OD1-NH2 3.34Å; Y54-R56 VanDerWaalsContact C-N 3.34Å; Y54-R56 PolarHBondContact O-N 3.03Å; R56-I60 HydrophobicContact CG-CD1 4.44Å; R56-I60 WeakPolarHBondContact O-CD1 3.36Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.35Å
57	I	92.9	Very high	92.8	Very high	51 Å²	51	84 Å²	84	26%	0.262	41%	0.405	S	S	.	.	H	α-helix	trans	-68	-45.4	178.8	-67.8	169.4	0	0	0	110.2	N53 Y54 I55 D59 I60 E61	N53-I57 WeakPolarHBondContact ND2-CD1 3.45Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.42Å; Y54-I57 PolarHBondContact O-N 3.06Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å; I57-D59 VanDerWaalsContact C-N 3.3Å; I57-D59 PolarHBondContact O-N 2.99Å; I57-I60 WeakPolarHBondContact O-CB 3.47Å; I57-I60 PolarHBondContact O-N 3.45Å; I57-I60 VanDerWaalsContact O-N 3.09Å; I57-E61 HydrophobicContact CG2-CG 4.26Å; I57-E61 WeakPolarHBondContact O-CG 3.29Å; I57-E61 PolarHBondContact O-N 3.32Å
58	R	92.4	Very high	92	Very high	115 Å²	115	86.9 Å²	86.9	43%	0.434	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-41.9	178.7	-172	-175.9	-177.1	-179.9	2.8	112	Y54 I55 I60 E61 I62	Y54-R58 WeakPolarHBondContact O-CB 3.44Å; Y54-R58 PolarHBondContact O-N 3.01Å; I55-R58 PolarHBondContact O-N 3.27Å; R58-I60 VanDerWaalsContact C-N 3.3Å; R58-I60 PolarHBondContact O-N 3.44Å; R58-E61 PolarHBondContact O-N 2.98Å; R58-I62 HydrophobicContact CG-CD1 3.92Å; R58-I62 HydrophobicContact CG-CG1 4.47Å; R58-I62 WeakPolarHBondContact O-CB 3.26Å; R58-I62 VanDerWaalsContact O-CG1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.46Å
59	D	92.2	Very high	91.1	Very high	95 Å²	95	90.2 Å²	90.2	51%	0.508	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-36.6	177.5	-71.5	-15.2	0	0	0	111.9	I55 I57 K63	I55-D59 PolarHBondContact O-N 3.47Å; I57-D59 VanDerWaalsContact C-N 3.3Å; I57-D59 PolarHBondContact O-N 2.99Å; D59-K63 WeakPolarHBondContact O-CB 3.44Å; D59-K63 PolarHBondContact O-N 2.99Å
60	I	93	Very high	90	Very high	71 Å²	71	91.9 Å²	91.9	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-66.8	-48.8	174.4	-66.2	164.2	0	0	0	110.3	R56 I57 R58 I62 K63 E64	R56-I60 HydrophobicContact CG-CD1 4.44Å; R56-I60 WeakPolarHBondContact O-CD1 3.36Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.35Å; I57-I60 WeakPolarHBondContact O-CB 3.47Å; I57-I60 PolarHBondContact O-N 3.45Å; I57-I60 VanDerWaalsContact O-N 3.09Å; R58-I60 VanDerWaalsContact C-N 3.3Å; R58-I60 PolarHBondContact O-N 3.44Å; I60-I62 VanDerWaalsContact C-N 3.31Å; I60-I62 PolarHBondContact O-N 3.34Å; I60-K63 WeakPolarHBondContact O-CB 3.45Å; I60-K63 PolarHBondContact O-N 2.93Å; I60-K63 VanDerWaalsContact O-N 3.14Å; I60-E64 HydrophobicContact CG2-CG 4.28Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.46Å; I60-E64 WeakPolarHBondContact O-CG 3.36Å; I60-E64 PolarHBondContact O-N 2.97Å
61	E	91.6	Very high	88.8	Confident	118 Å²	118	97.4 Å²	97.4	55%	0.551	47%	0.47	S	S	*	.	H	α-helix	trans	-59.5	-41.8	178.3	-71.1	174.9	171.6	0	0	111.8	I57 R58 E64 S65	I57-E61 HydrophobicContact CG2-CG 4.26Å; I57-E61 WeakPolarHBondContact O-CG 3.29Å; I57-E61 PolarHBondContact O-N 3.32Å; R58-E61 PolarHBondContact O-N 2.98Å; E61-E64 PolarHBondContact O-N 3.01Å; E61-S65 VanDerWaalsContact O-CB 3.3Å; E61-S65 WeakPolarHBondContact O-CB 3.43Å; E61-S65 PolarHBondContact O-N 3.39Å; E61-S65 PolarHBondContact O-OG 3.35Å
62	I	91	Very high	87.7	Confident	76 Å²	76	98.7 Å²	98.7	39%	0.39	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-48.2	174.9	-71	167.2	0	0	0	109.9	R58 I60 E64 S65 L66	R58-I62 HydrophobicContact CG-CD1 3.92Å; R58-I62 HydrophobicContact CG-CG1 4.47Å; R58-I62 WeakPolarHBondContact O-CB 3.26Å; R58-I62 VanDerWaalsContact O-CG1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.46Å; I60-I62 VanDerWaalsContact C-N 3.31Å; I60-I62 PolarHBondContact O-N 3.34Å; I62-E64 PolarHBondContact O-N 2.83Å; I62-S65 PolarHBondContact O-N 2.97Å; I62-S65 PolarHBondContact O-OG 2.91Å; I62-L66 HydrophobicContact CG2-CD1 4.06Å; I62-L66 WeakPolarHBondContact O-CG 3.43Å; I62-L66 PolarHBondContact O-N 3.34Å
63	K	90.8	Very high	86.5	Confident	150 Å²	150	97.3 Å²	97.3	65%	0.652	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-45.4	179	-174.4	-178.2	176	-173	0	112.4	D59 I60 S65 L66 E67	D59-K63 WeakPolarHBondContact O-CB 3.44Å; D59-K63 PolarHBondContact O-N 2.99Å; I60-K63 WeakPolarHBondContact O-CB 3.45Å; I60-K63 PolarHBondContact O-N 2.93Å; I60-K63 VanDerWaalsContact O-N 3.14Å; K63-S65 VanDerWaalsContact C-N 3.35Å; K63-L66 PolarHBondContact O-N 3.28Å; K63-E67 PolarHBondContact O-N 3.18Å
64	E	88.1	Confident	85.3	Confident	108 Å²	108	101.1 Å²	101.1	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.3	-72.1	178.2	179.7	0	0	111.7	I60 E61 I62 L66 E67 N68	I60-E64 HydrophobicContact CG2-CG 4.28Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.46Å; I60-E64 WeakPolarHBondContact O-CG 3.36Å; I60-E64 PolarHBondContact O-N 2.97Å; E61-E64 PolarHBondContact O-N 3.01Å; I62-E64 PolarHBondContact O-N 2.83Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-E67 PolarHBondContact O-N 2.89Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.27Å; E64-N68 PolarHBondContact O-N 3.48Å; E64-N68 PolarHBondContact O-ND2 2.88Å
65	S	87.5	Confident	84	Confident	67 Å²	67	103.5 Å²	103.5	47%	0.469	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-36.5	176.7	75.6	0	0	0	0	112.7	E61 I62 K63 N69	E61-S65 VanDerWaalsContact O-CB 3.3Å; E61-S65 WeakPolarHBondContact O-CB 3.43Å; E61-S65 PolarHBondContact O-N 3.39Å; E61-S65 PolarHBondContact O-OG 3.35Å; I62-S65 PolarHBondContact O-N 2.97Å; I62-S65 PolarHBondContact O-OG 2.91Å; K63-S65 VanDerWaalsContact C-N 3.35Å; S65-N69 WeakPolarHBondContact O-CB 3.21Å; S65-N69 PolarHBondContact O-N 3.14Å
66	L	86.8	Confident	82.9	Confident	100 Å²	100	104.5 Å²	104.5	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-67.6	-46.6	175.7	-72.8	169.7	0	0	0	111.1	I62 K63 E64 N68 N69 E70	I62-L66 HydrophobicContact CG2-CD1 4.06Å; I62-L66 WeakPolarHBondContact O-CG 3.43Å; I62-L66 PolarHBondContact O-N 3.34Å; K63-L66 PolarHBondContact O-N 3.28Å; E64-L66 VanDerWaalsContact C-N 3.35Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 2.85Å; L66-N69 PolarHBondContact O-N 2.91Å; L66-E70 WeakPolarHBondContact O-CG 3.49Å; L66-E70 PolarHBondContact O-N 3.46Å
67	E	83.8	Confident	81.9	Confident	127 Å²	127	102.5 Å²	102.5	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-42.2	177	-175.2	174	-178.5	0	0	111.7	K63 E64 N69 E70 L71	K63-E67 PolarHBondContact O-N 3.18Å; E64-E67 PolarHBondContact O-N 2.89Å; E67-N69 PolarHBondContact O-N 3.05Å; E67-E70 PolarHBondContact O-N 3.33Å; E67-L71 PolarHBondContact O-N 2.88Å
68	N	80.5	Confident	81	Confident	98 Å²	98	106.1 Å²	106.1	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-38	175.9	-74.8	-36.9	0	0	0	112.5	E64 L66 L71 V72	E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.27Å; E64-N68 PolarHBondContact O-N 3.48Å; E64-N68 PolarHBondContact O-ND2 2.88Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 2.85Å; N68-L71 PolarHBondContact O-N 3.11Å; N68-V72 VanDerWaalsContact O-CG2 3.26Å; N68-V72 WeakPolarHBondContact O-CG2 3.11Å; N68-V72 PolarHBondContact O-N 3.26Å
69	N	77.5	Confident	80	Confident	108 Å²	108	106 Å²	106	58%	0.578	53%	0.529	S	S	*	.	H	α-helix	trans	-67.6	-41	177.6	-166.6	0.3	0	0	0	111.5	S65 L66 E67 L71 V72 H73	S65-N69 WeakPolarHBondContact O-CB 3.21Å; S65-N69 PolarHBondContact O-N 3.14Å; L66-N69 PolarHBondContact O-N 2.91Å; E67-N69 PolarHBondContact O-N 3.05Å; N69-L71 VanDerWaalsContact C-N 3.32Å; N69-L71 PolarHBondContact O-N 3.05Å; N69-V72 PolarHBondContact O-N 3.18Å; N69-H73 WeakPolarHBondContact O-CB 3.41Å; N69-H73 PolarHBondContact O-N 3.02Å
70	E	74.7	Confident	78.9	Confident	135 Å²	135	107.3 Å²	107.3	63%	0.631	53%	0.532	S	S	*	.	H	α-helix	trans	-59.9	-42.3	173.1	-72.5	179.7	-175.8	0	0	111.7	L66 E67 H73 L74	L66-E70 WeakPolarHBondContact O-CG 3.49Å; L66-E70 PolarHBondContact O-N 3.46Å; E67-E70 PolarHBondContact O-N 3.33Å; E70-H73 PolarHBondContact O-N 3.46Å; E70-L74 PolarHBondContact O-N 3.45Å
71	L	71.8	Confident	77.7	Confident	117 Å²	117	110.5 Å²	110.5	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-67.1	-40.3	178.2	-165.6	70.2	0	0	0	112.4	E67 N68 N69 H73 L74 H75	E67-L71 PolarHBondContact O-N 2.88Å; N68-L71 PolarHBondContact O-N 3.11Å; N69-L71 VanDerWaalsContact C-N 3.32Å; N69-L71 PolarHBondContact O-N 3.05Å; L71-H73 VanDerWaalsContact C-N 3.33Å; L71-L74 PolarHBondContact O-N 3.27Å; L71-H75 PolarHBondContact O-N 3.2Å
72	V	73.2	Confident	76.5	Confident	77 Å²	77	107.9 Å²	107.9	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-41.1	175.3	169	0	0	0	0	110.8	N68 N69 H75 Q76	N68-V72 VanDerWaalsContact O-CG2 3.26Å; N68-V72 WeakPolarHBondContact O-CG2 3.11Å; N68-V72 PolarHBondContact O-N 3.26Å; N69-V72 PolarHBondContact O-N 3.18Å; V72-H75 PolarHBondContact O-N 3.06Å; V72-Q76 WeakPolarHBondContact O-CG 3.45Å; V72-Q76 PolarHBondContact O-N 3.35Å
73	H	70.9	Confident	75.3	Confident	107 Å²	107	107 Å²	107	50%	0.495	54%	0.538	S	S	.	.	H	α-helix	trans	-65.3	-39.6	176.4	-173.6	-87.7	0	0	0	112.2	N69 E70 L71 Q76 L77	N69-H73 WeakPolarHBondContact O-CB 3.41Å; N69-H73 PolarHBondContact O-N 3.02Å; E70-H73 PolarHBondContact O-N 3.46Å; L71-H73 VanDerWaalsContact C-N 3.33Å; H73-Q76 PolarHBondContact O-N 3.32Å; H73-L77 PolarHBondContact O-N 3.09Å; H73-L77 VanDerWaalsContact O-N 3.14Å
74	L	70.4	Confident	73.9	Confident	111 Å²	111	104.5 Å²	104.5	58%	0.581	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-44.5	173.2	-90.9	151.3	0	0	0	112.3	E70 L71 Q76 L77 E78	E70-L74 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.27Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-E78 PolarHBondContact O-N 2.91Å; L74-E78 VanDerWaalsContact O-N 3.07Å
75	H	66.9	Low	72.6	Confident	119 Å²	119	105.4 Å²	105.4	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-37.1	178	-172.8	-79.3	0	0	0	112.3	L71 V72 E78 E79	L71-H75 PolarHBondContact O-N 3.2Å; V72-H75 PolarHBondContact O-N 3.06Å; H75-E78 PolarHBondContact O-N 3.36Å; H75-E79 WeakPolarHBondContact O-CB 3.24Å; H75-E79 PolarHBondContact O-N 3.22Å
76	Q	71.2	Confident	71.2	Confident	115 Å²	115	107.1 Å²	107.1	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-40.1	175.6	-75.1	174.4	17.5	0	0	112.1	V72 H73 L74 E79 E80	V72-Q76 WeakPolarHBondContact O-CG 3.45Å; V72-Q76 PolarHBondContact O-N 3.35Å; H73-Q76 PolarHBondContact O-N 3.32Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.46Å; Q76-E79 PolarHBondContact O-N 3.47Å; Q76-E80 PolarHBondContact O-N 2.9Å
77	L	72.4	Confident	69.8	Low	88 Å²	88	106.7 Å²	106.7	46%	0.461	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-40.5	175.5	-75.4	170.4	0	0	0	112.4	H73 L74 E80 E81	H73-L77 PolarHBondContact O-N 3.09Å; H73-L77 VanDerWaalsContact O-N 3.14Å; L74-L77 PolarHBondContact O-N 3.29Å; L77-E80 PolarHBondContact O-N 2.98Å; L77-E81 WeakPolarHBondContact O-CB 3.24Å; L77-E81 PolarHBondContact O-N 3.1Å
78	E	73.3	Confident	68.5	Low	126 Å²	126	105.7 Å²	105.7	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-38.7	177	-173.1	174.8	-168	0	0	111.7	L74 H75 E80 E81 T82	L74-E78 PolarHBondContact O-N 2.91Å; L74-E78 VanDerWaalsContact O-N 3.07Å; H75-E78 PolarHBondContact O-N 3.36Å; E78-E80 VanDerWaalsContact C-N 3.35Å; E78-E81 PolarHBondContact O-N 3.32Å; E78-T82 WeakPolarHBondContact O-CB 3.26Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 PolarHBondContact O-OG1 3.38Å
79	E	72.5	Confident	67.3	Low	114 Å²	114	107.4 Å²	107.4	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-36.8	174.4	-170.2	173.4	-175.5	0	0	112.1	H75 Q76 T82 S83	H75-E79 WeakPolarHBondContact O-CB 3.24Å; H75-E79 PolarHBondContact O-N 3.22Å; Q76-E79 PolarHBondContact O-N 3.47Å; E79-T82 WeakPolarHBondContact CA-OG1 3.31Å; E79-T82 PolarHBondContact O-OG1 3.2Å; E79-T82 VanDerWaalsContact O-OG1 3.05Å; E79-S83 VanDerWaalsContact O-CB 3.3Å; E79-S83 WeakPolarHBondContact O-CB 3.28Å; E79-S83 PolarHBondContact O-N 2.93Å; E79-S83 PolarHBondContact O-OG 2.86Å
80	E	70	Confident	66.1	Low	122 Å²	122	108.3 Å²	108.3	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-68.5	-42.5	174.6	-168.4	175.7	-178	0	0	111.6	Q76 L77 E78 S83 L84	Q76-E80 PolarHBondContact O-N 2.9Å; L77-E80 PolarHBondContact O-N 2.98Å; E78-E80 VanDerWaalsContact C-N 3.35Å; E80-S83 PolarHBondContact O-N 3.02Å; E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 WeakPolarHBondContact O-CD1 3.42Å; E80-L84 WeakPolarHBondContact O-CG 3.49Å; E80-L84 PolarHBondContact O-N 3.32Å
81	E	67.4	Low	64.8	Low	138 Å²	138	108.1 Å²	108.1	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-63.3	-46.5	177.3	-173.1	172	-168.7	0	0	111.8	L77 E78 S83 L84 E85	L77-E81 WeakPolarHBondContact O-CB 3.24Å; L77-E81 PolarHBondContact O-N 3.1Å; E78-E81 PolarHBondContact O-N 3.32Å; E81-S83 VanDerWaalsContact C-N 3.32Å; E81-S83 PolarHBondContact O-N 3.44Å; E81-L84 PolarHBondContact O-N 3.07Å; E81-E85 PolarHBondContact O-N 3.17Å
82	T	66.8	Low	63.8	Low	63 Å²	63	107.1 Å²	107.1	39%	0.387	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-36.3	177.5	52.2	0	0	0	0	112.1	E78 E79 E85 I86	E78-T82 WeakPolarHBondContact O-CB 3.26Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 PolarHBondContact O-OG1 3.38Å; E79-T82 WeakPolarHBondContact CA-OG1 3.31Å; E79-T82 PolarHBondContact O-OG1 3.2Å; E79-T82 VanDerWaalsContact O-OG1 3.05Å; T82-E85 PolarHBondContact O-N 3.42Å; T82-I86 WeakPolarHBondContact O-CD1 3.49Å; T82-I86 VanDerWaalsContact O-CG1 3.25Å; T82-I86 WeakPolarHBondContact O-CG1 3.29Å; T82-I86 PolarHBondContact O-N 2.96Å; T82-I86 VanDerWaalsContact O-N 3.14Å
83	S	64.5	Low	62.8	Low	57 Å²	57	106.8 Å²	106.8	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-37	174.4	-63.7	0	0	0	0	112.4	E79 E80 E81 N87	E79-S83 VanDerWaalsContact O-CB 3.3Å; E79-S83 WeakPolarHBondContact O-CB 3.28Å; E79-S83 PolarHBondContact O-N 2.93Å; E79-S83 PolarHBondContact O-OG 2.86Å; E80-S83 PolarHBondContact O-N 3.02Å; E81-S83 VanDerWaalsContact C-N 3.32Å; E81-S83 PolarHBondContact O-N 3.44Å; S83-N87 PolarHBondContact O-N 3.38Å; S83-N87 PolarHBondContact O-ND2 2.82Å
84	L	61	Low	61.6	Low	97 Å²	97	108.2 Å²	108.2	51%	0.508	56%	0.556	S	S	.	*	H	α-helix	trans	-69.5	-36.6	174.6	-77.5	156.1	0	0	0	112	E80 E81 N88	E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 WeakPolarHBondContact O-CD1 3.42Å; E80-L84 WeakPolarHBondContact O-CG 3.49Å; E80-L84 PolarHBondContact O-N 3.32Å; E81-L84 PolarHBondContact O-N 3.07Å; L84-N88 VanDerWaalsContact O-CG 3.26Å; L84-N88 PolarHBondContact O-N 2.94Å; L84-N88 VanDerWaalsContact O-N 3.15Å; L84-N88 PolarHBondContact O-ND2 3.44Å
85	E	60.6	Low	60.6	Low	128 Å²	128	109.8 Å²	109.8	60%	0.598	56%	0.563	S	S	*	*	H	α-helix	trans	-67.2	-43.6	179.3	-165.9	162.8	-156.9	0	0	112	E81 T82 N87 N88 E89	E81-E85 PolarHBondContact O-N 3.17Å; T82-E85 PolarHBondContact O-N 3.42Å; E85-N87 PolarHBondContact O-N 3.23Å; E85-N88 PolarHBondContact O-N 3.24Å; E85-E89 PolarHBondContact O-N 3.27Å
86	I	59.1	Low	59.7	Low	102 Å²	102	109.4 Å²	109.4	52%	0.523	57%	0.569	S	S	.	*	H	α-helix	trans	-64.3	-40.6	178.1	-60.2	160.8	0	0	0	111.3	T82 N88 E89 E90	T82-I86 WeakPolarHBondContact O-CD1 3.49Å; T82-I86 VanDerWaalsContact O-CG1 3.25Å; T82-I86 WeakPolarHBondContact O-CG1 3.29Å; T82-I86 PolarHBondContact O-N 2.96Å; T82-I86 VanDerWaalsContact O-N 3.14Å; I86-N88 VanDerWaalsContact C-N 3.29Å; I86-N88 PolarHBondContact O-N 2.92Å; I86-E89 PolarHBondContact O-N 3.48Å; I86-E90 PolarHBondContact O-N 2.94Å; I86-E90 VanDerWaalsContact O-N 3.09Å
87	N	57.9	Low	58.5	Low	91 Å²	91	109.3 Å²	109.3	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-68.4	-27.5	178	-74.6	-41.6	0	0	0	113.1	S83 E85 N91	S83-N87 PolarHBondContact O-N 3.38Å; S83-N87 PolarHBondContact O-ND2 2.82Å; E85-N87 PolarHBondContact O-N 3.23Å; N87-N91 PolarHBondContact O-ND2 2.9Å
88	N	56.4	Low	57.2	Low	106 Å²	106	114.3 Å²	114.3	57%	0.567	60%	0.595	S	S	*	*	H	α-helix	trans	-80.4	-31	175.1	-72.4	-31.6	0	0	0	112	L84 E85 I86	L84-N88 VanDerWaalsContact O-CG 3.26Å; L84-N88 PolarHBondContact O-N 2.94Å; L84-N88 VanDerWaalsContact O-N 3.15Å; L84-N88 PolarHBondContact O-ND2 3.44Å; E85-N88 PolarHBondContact O-N 3.24Å; I86-N88 VanDerWaalsContact C-N 3.29Å; I86-N88 PolarHBondContact O-N 2.92Å
89	E	54.8	Low	55.8	Low	134 Å²	134	113.9 Å²	113.9	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-77.4	-34.5	179.6	-157.3	163.2	-160.7	0	0	112.6	E85 I86 N91 T92 S93	E85-E89 PolarHBondContact O-N 3.27Å; I86-E89 PolarHBondContact O-N 3.48Å; E89-N91 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 3.44Å; E89-T92 PolarHBondContact O-N 3.32Å; E89-T92 PolarHBondContact O-OG1 2.81Å; E89-S93 PolarHBondContact O-N 3.08Å; E89-S93 PolarHBondContact O-OG 3.21Å
90	E	52	Low	54.6	Low	127 Å²	127	118.1 Å²	118.1	59%	0.593	62%	0.623	S	S	*	*	H	α-helix	trans	-66.5	-32.4	172.4	-78.7	-166.5	149.7	0	0	112.9	I86 T92 S93	I86-E90 PolarHBondContact O-N 2.94Å; I86-E90 VanDerWaalsContact O-N 3.09Å; E90-T92 VanDerWaalsContact C-N 3.33Å; E90-T92 PolarHBondContact O-N 3.03Å; E90-S93 PolarHBondContact O-OG 2.86Å
91	N	48.4	Very low	53.2	Low	131 Å²	131	117.2 Å²	117.2	70%	0.701	63%	0.63	S	S	*	*	H	α-helix	trans	-76.9	-15.8	179.6	-78.4	-40	0	0	0	114.3	N87 E89	N87-N91 PolarHBondContact O-ND2 2.9Å; E89-N91 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 3.44Å
92	T	51	Low	51.9	Low	96 Å²	96	118.9 Å²	118.9	59%	0.589	64%	0.643	S	S	*	*	H	α-helix	trans	-100	-20.5	178.2	60.1	0	0	0	0	113.3	E89 E90	E89-T92 PolarHBondContact O-N 3.32Å; E89-T92 PolarHBondContact O-OG1 2.81Å; E90-T92 VanDerWaalsContact C-N 3.33Å; E90-T92 PolarHBondContact O-N 3.03Å
93	S	51	Low	50.6	Low	70 Å²	70	124.9 Å²	124.9	49%	0.49	67%	0.667	S	S	.	*	H	α-helix	trans	-85.4	-21	-177.4	42.1	0	0	0	0	113.8	E89 E90	E89-S93 PolarHBondContact O-N 3.08Å; E89-S93 PolarHBondContact O-OG 3.21Å; E90-S93 PolarHBondContact O-OG 2.86Å
94	D	47	Very low	49.5	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-7.8	-176.5	-109.2	-10.2	0	0	0	116
95	I	47.8	Very low	48.8	Very low	144 Å²	144	132.8 Å²	132.8	74%	0.738	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-7.3	-177	-156	161.5	0	0	0	114.6
96	T	47.9	Very low	48.2	Very low	112 Å²	112	131.4 Å²	131.4	69%	0.687	70%	0.703	S	S	*	*	S	Bend	trans	-102.6	0.6	-165.5	-3.6	0	0	0	0	116.3
97	T	45.7	Very low	47.3	Very low	113 Å²	113	133.1 Å²	133.1	69%	0.693	71%	0.714	S	S	*	*	S	Bend	trans	-116.5	-0	-170.1	56	0	0	0	0	116.4
98	K	45.3	Very low	46.7	Very low	192 Å²	192	135.4 Å²	135.4	84%	0.835	72%	0.721	S	S	*	*	S	Bend	trans	-105.4	3.8	-176.7	-79.7	178	-178.9	162.6	0	117.2
99	S	45.4	Very low	46.1	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-100.6	20	-174.6	-55.7	0	0	0	0	116
100	K	47.6	Very low	45.5	Very low	204 Å²	204	137.8 Å²	137.8	89%	0.887	73%	0.728	S	S	*	*			trans	-131	60.4	-176.7	-91.1	179.8	175	170.7	0	113.4
101	S	39.6	Very low	45.1	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	73%	0.73	S	S	*	*			trans	-168.3	89	160.4	57.1	0	0	0	0	110.7
102	N	40.7	Very low	45	Very low	173 Å²	173	137.2 Å²	137.2	93%	0.925	74%	0.736	S	S	*	*			trans	-167.9	62.3	154.6	-101	-3.3	0	0	0	109.1
103	E	40	Very low	44.6	Very low	189 Å²	189	140.8 Å²	140.8	88%	0.883	75%	0.752	S	S	*	*			trans	-98.6	95.5	159.7	-81	-175.9	155.7	0	0	107.1
104	H	41.4	Very low	44.7	Very low	181 Å²	181	145.9 Å²	145.9	84%	0.838	77%	0.768	S	S	*	*			trans	-168	130.9	144.8	-115.4	-79.5	0	0	0	110.9
105	D	46.1	Very low	45	Very low	139 Å²	139	146.9 Å²	146.9	74%	0.743	77%	0.772	S	S	*	*			trans	103.2	125.5	143	-120.9	-18	0	0	0	120.2
106	S	48	Very low	44.9	Very low	99 Å²	99	147.1 Å²	147.1	69%	0.692	77%	0.773	S	S	*	*			trans	73.5	92.1	154.2	51.8	0	0	0	0	121.5
107	N	40	Very low	45.4	Very low	138 Å²	138	146.4 Å²	146.4	74%	0.738	77%	0.772	S	S	*	*				75.7	117.8	108.4	-139.8	23.6	0	0	0	120.5
108	Q	45	Very low	45.8	Very low	139 Å²	139	148 Å²	148	65%	0.65	78%	0.777	S	S	*	*			trans	87	116.2	138.2	-93	174.3	-48	0	0	122.1
109	H	44.1	Very low	45.9	Very low	136 Å²	136	146.5 Å²	146.5	63%	0.63	78%	0.778	S	S	*	*			trans	88.7	109.1	136.7	-77.8	-65.2	0	0	0	120.5
110	H	42.4	Very low	46.3	Very low	154 Å²	154	147 Å²	147	71%	0.713	78%	0.776	S	S	*	*				89.2	116.6	127.2	-80	-53.4	0	0	0	120.4
111	S	43.6	Very low	46.5	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	77%	0.766	S	S	*	*			trans	76.6	114	136.2	43.4	0	0	0	0	119.3
112	D	46.5	Very low	47.3	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	77%	0.768	S	S	*	*				98.5	118.5	129.4	-56	-12.2	0	0	0	117.4	E114	D112-E114 PolarHBondContact O-N 3.49Å
113	D	42.4	Very low	47.9	Very low	172 Å²	172	142.7 Å²	142.7	92%	0.92	75%	0.754	S	S	*	*			trans	-46.9	115.9	173.7	-66.6	-51.4	0	0	0	111.9
114	E	51.8	Low	48.4	Very low	177 Å²	177	142 Å²	142	83%	0.827	75%	0.748	S	S	*	*			trans	-143.1	119.1	155	-151.8	166.5	-168.7	0	0	109.7	D112 I116	D112-E114 PolarHBondContact O-N 3.49Å; E114-I116 PolarHBondContact O-N 3.43Å; E114-I116 VanDerWaalsContact O-N 3.08Å
115	I	52.9	Low	48.9	Very low	158 Å²	158	140.5 Å²	140.5	81%	0.81	74%	0.744	S	S	*	*			trans	-67.7	102.9	-178.1	-63.7	167.7	0	0	0	107.7	S117	I115-S117 PolarHBondContact O-N 3.37Å
116	I	46.9	Very low	49.1	Very low	148 Å²	148	139.6 Å²	139.6	76%	0.759	74%	0.74	S	S	*	*			trans	-77.4	102.4	173	-61.5	172.3	0	0	0	107.9	E114	E114-I116 PolarHBondContact O-N 3.43Å; E114-I116 VanDerWaalsContact O-N 3.08Å
117	S	57.1	Low	49.2	Very low	97 Å²	97	142 Å²	142	68%	0.678	75%	0.745	S	S	*	*			trans	-72.7	122.6	159.1	-66.1	0	0	0	0	107.9	I115 D119	I115-S117 PolarHBondContact O-N 3.37Å; S117-D119 PolarHBondContact O-N 3.03Å
118	N	54.5	Low	49.8	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	75%	0.75	S	S	*	*			trans	-69.4	93.2	171.8	-79.2	-17	0	0	0	109	V120	N118-V120 PolarHBondContact O-N 2.91Å; N118-V120 VanDerWaalsContact O-N 3.15Å
119	D	47.6	Very low	50.2	Low	161 Å²	161	145.2 Å²	145.2	86%	0.861	76%	0.759	S	S	*	*			trans	-66.2	100.4	159.5	-99.6	-26.9	0	0	0	108.4	S117 H121	S117-D119 PolarHBondContact O-N 3.03Å; D119-H121 PolarHBondContact O-N 3.4Å
120	V	53.9	Low	50.3	Low	127 Å²	127	142.9 Å²	142.9	77%	0.77	76%	0.763	S	S	*	*			trans	-79.7	107.2	165.4	175.9	0	0	0	0	107.6	N118 V122	N118-V120 PolarHBondContact O-N 2.91Å; N118-V120 VanDerWaalsContact O-N 3.15Å; V120-V122 PolarHBondContact O-N 2.94Å; V120-V122 VanDerWaalsContact O-N 3.12Å
121	H	51.2	Low	50.7	Low	146 Å²	146	143.4 Å²	143.4	68%	0.676	77%	0.77	S	S	*	*			trans	-51.4	104.5	178.5	-157.5	-71	0	0	0	112.2	D119 N123	D119-H121 PolarHBondContact O-N 3.4Å; H121-N123 PolarHBondContact CE1-OD1 3.23Å; H121-N123 VanDerWaalsContact ND1-CG 3.31Å; H121-N123 PolarHBondContact ND1-OD1 3.34Å; H121-N123 PolarHBondContact O-N 3.33Å
122	V	56.8	Low	51	Low	128 Å²	128	146.4 Å²	146.4	78%	0.776	78%	0.778	S	S	*	*			trans	-74.4	91.7	164.9	178.9	0	0	0	0	107.5	V120 K124	V120-V122 PolarHBondContact O-N 2.94Å; V120-V122 VanDerWaalsContact O-N 3.12Å; V122-K124 PolarHBondContact O-N 3.05Å
123	N	54.5	Low	51.1	Low	115 Å²	115	145.8 Å²	145.8	62%	0.615	78%	0.775	S	S	*	*			trans	-69.1	97	166.4	-86.6	-35.8	0	0	0	109.1	H121 I125	H121-N123 PolarHBondContact CE1-OD1 3.23Å; H121-N123 VanDerWaalsContact ND1-CG 3.31Å; H121-N123 PolarHBondContact ND1-OD1 3.34Å; H121-N123 PolarHBondContact O-N 3.33Å; N123-I125 PolarHBondContact O-N 3.38Å
124	K	49.6	Very low	51.3	Low	175 Å²	175	142.5 Å²	142.5	76%	0.761	76%	0.763	S	S	*	*			trans	-64.3	111.1	152	-77.9	-179.6	174.3	-176.6	0	107.4	V122 D126	V122-K124 PolarHBondContact O-N 3.05Å; K124-D126 PolarHBondContact O-N 3.36Å
125	I	51.8	Low	51.2	Low	149 Å²	149	140 Å²	140	76%	0.764	76%	0.755	S	S	*	*			trans	-90.2	93.8	166.4	-63.3	173.5	0	0	0	105.6	N123	N123-I125 PolarHBondContact O-N 3.38Å
126	D	50.8	Low	51.1	Low	121 Å²	121	138.8 Å²	138.8	65%	0.647	75%	0.751	S	S	*	*			trans	-81.1	142	157.1	-69.4	-43.5	0	0	0	107.8	K124	K124-D126 PolarHBondContact O-N 3.36Å
127	D	49.2	Very low	51.3	Low	149 Å²	149	138.1 Å²	138.1	80%	0.797	75%	0.749	S	S	*	*			trans	61.6	97	156.3	-53.5	-27.5	0	0	0	119.2
128	I	53.1	Low	51	Low	165 Å²	165	140.5 Å²	140.5	85%	0.846	75%	0.754	S	S	*	*			trans	-132.7	126.4	144.8	-58.6	-177.3	0	0	0	110.6
129	E	53	Low	50.9	Low	179 Å²	179	140.5 Å²	140.5	84%	0.836	75%	0.754	S	S	*	*			trans	-63.3	160.6	-171.5	-65.2	169.2	132	0	0	116.2
130	A	45.9	Very low	51.2	Low	88 Å²	88	140.2 Å²	140.2	73%	0.727	75%	0.752	S	S	*	*			trans	-36.7	134.4	167.2	0	0	0	0	0	116.1
131	I	51.3	Low	50.8	Low	165 Å²	165	142.2 Å²	142.2	85%	0.846	76%	0.758	S	S	*	*			trans	-134.1	94.3	151.5	-48.7	178.1	0	0	0	107.7
132	N	49.2	Very low	50.9	Low	153 Å²	153	142.4 Å²	142.4	82%	0.818	76%	0.764	S	S	*	*			trans	-74.9	128.5	159.2	-75.1	-42.4	0	0	0	108.1
133	N	50.7	Low	50.7	Low	141 Å²	141	142.3 Å²	142.3	75%	0.754	76%	0.758	S	S	*	*			trans	-152.4	115.4	144	-150.8	26.6	0	0	0	109.8
134	P	46.5	Very low	50.4	Low	103 Å²	103	144.6 Å²	144.6	67%	0.669	76%	0.763	S	S	*	*			trans	-88.6	143	172.6	35.5	-28.6	0	0	0	109.6
135	N	48.8	Very low	50.6	Low	125 Å²	125	143.5 Å²	143.5	67%	0.668	77%	0.771	S	S	*	*			trans	-167.5	117.1	156.5	-78.3	-33	0	0	0	104.3
136	D	51.4	Low	50.5	Low	132 Å²	132	141.5 Å²	141.5	71%	0.706	76%	0.758	S	S	*	*				74.3	123.5	103.6	-61.1	-14	0	0	0	109.4
137	D	50.3	Low	50.3	Low	135 Å²	135	142.5 Å²	142.5	72%	0.722	76%	0.763	S	S	*	*			cis	-165.6	178	15.7	-88.3	-45.2	0	0	0	105.6
138	D	51.9	Low	50.4	Low	146 Å²	146	144.5 Å²	144.5	78%	0.781	76%	0.76	S	S	*	*			trans	95.9	89.7	161.1	-52.6	-29.3	0	0	0	118.2
139	D	50.9	Low	50.3	Low	148 Å²	148	143.9 Å²	143.9	79%	0.791	76%	0.758	S	S	*	*				47.6	137.2	123.3	-63.4	-25.2	0	0	0	122.2
140	D	53.7	Low	50	Low	154 Å²	154	143 Å²	143	82%	0.824	75%	0.754	S	S	*	*			trans	78.2	90.1	165.8	-66.3	-24.7	0	0	0	118.5
141	D	45.9	Very low	50.2	Low	169 Å²	169	145.7 Å²	145.7	90%	0.904	76%	0.755	S	S	*	*			trans	-148.1	80.4	154.6	-98.5	-30.6	0	0	0	111
142	D	53.1	Low	50.1	Low	150 Å²	150	145.4 Å²	145.4	80%	0.802	75%	0.75	S	S	*	*			trans	-92	94.5	161.1	-128.4	9.2	0	0	0	109.3
143	I	52.6	Low	49.9	Very low	126 Å²	126	143.9 Å²	143.9	65%	0.646	75%	0.751	S	S	*	*	S	Bend	trans	76	99.5	134.5	-60.2	170.4	0	0	0	117.6
144	K	49.9	Very low	49.6	Very low	164 Å²	164	144.4 Å²	144.4	71%	0.713	75%	0.754	S	S	*	*			trans	66.2	88.3	132.9	-64.9	-178.2	-177.8	178	0	117.6	Q146	K144-Q146 VanDerWaalsContact C-N 3.33Å; K144-Q146 HydrophobicContact CB-CG 4.22Å; K144-Q146 PolarHBondContact O-N 3.15Å
145	V	52.2	Low	49.9	Very low	152 Å²	152	144.3 Å²	144.3	92%	0.921	76%	0.756	S	S	*	*			trans	-63.2	97.1	141.6	-176.6	0	0	0	0	107.7
146	Q	49.7	Very low	50	Low	107 Å²	107	147.1 Å²	147.1	50%	0.5	77%	0.765	S	S	.	*			trans	-92.1	98.6	162.7	-71.7	-137.9	-39.4	0	0	108.6	K144 R148	K144-Q146 VanDerWaalsContact C-N 3.33Å; K144-Q146 HydrophobicContact CB-CG 4.22Å; K144-Q146 PolarHBondContact O-N 3.15Å; Q146-R148 HydrophobicContact CB-CG 4.44Å; Q146-R148 PolarHBondContact O-N 3.08Å
147	D	47.1	Very low	50	Low	142 Å²	142	148 Å²	148	76%	0.759	77%	0.77	S	S	*	*			trans	-54.1	107.8	154	-160.8	-0.6	0	0	0	108.6
148	R	50.8	Low	50	Low	191 Å²	191	151.9 Å²	151.9	72%	0.721	78%	0.776	S	S	*	*			trans	-139	62.7	176.7	-83.4	-170.1	-176.9	155.3	-1	110.1	Q146 H150	Q146-R148 HydrophobicContact CB-CG 4.44Å; Q146-R148 PolarHBondContact O-N 3.08Å; R148-H150 VanDerWaalsContact C-N 3.27Å; R148-H150 PolarHBondContact O-N 3.01Å
149	N	51	Low	50	Low	152 Å²	152	150.6 Å²	150.6	81%	0.813	77%	0.773	S	S	*	*			trans	-82.7	79.6	151.8	-76.5	-17.3	0	0	0	108.6
150	H	47.1	Very low	50	Low	161 Å²	161	152.8 Å²	152.8	75%	0.745	78%	0.776	S	S	*	*			trans	-157.4	142.8	168.3	-124.9	61.5	0	0	0	109.8	R148	R148-H150 VanDerWaalsContact C-N 3.27Å; R148-H150 PolarHBondContact O-N 3.01Å
151	L	50.9	Low	49.9	Very low	144 Å²	144	154 Å²	154	75%	0.754	78%	0.776	S	S	*	*			trans	99	80.6	176	-54.4	161.5	0	0	0	112.1
152	Q	47.6	Very low	50.2	Low	158 Å²	158	150.6 Å²	150.6	74%	0.738	77%	0.766	S	S	*	*				68.9	104.3	89	-71.6	-172.1	-80.1	0	0	111.9	D154	Q152-D154 PolarHBondContact O-N 3.49Å; Q152-D154 VanDerWaalsContact O-N 3.12Å
153	S	45.7	Very low	50	Low	121 Å²	121	149.2 Å²	149.2	85%	0.846	76%	0.762	S	S	*	*			trans	-61.4	99	167.5	-47	0	0	0	0	110.3
154	D	45.2	Very low	49.9	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	77%	0.765	S	S	*	*			trans	-92.6	90.5	159	-73.5	-22.7	0	0	0	107.8	Q152	Q152-D154 PolarHBondContact O-N 3.49Å; Q152-D154 VanDerWaalsContact O-N 3.12Å
155	S	51.4	Low	50	Low	102 Å²	102	150.2 Å²	150.2	71%	0.713	77%	0.771	S	S	*	*			trans	-63.9	141.3	153.3	54.6	0	0	0	0	108.3
156	E	52.8	Low	50.2	Low	184 Å²	184	151.3 Å²	151.3	86%	0.86	77%	0.766	S	S	*	*			trans	103.2	69	-179.3	-56.4	-175.8	-166.9	0	0	115
157	N	51.2	Low	50.6	Low	150 Å²	150	155 Å²	155	80%	0.802	78%	0.783	S	S	*	*			trans	-109.9	76.1	149.5	-156.8	3.7	0	0	0	109	V159	N157-V159 PolarHBondContact O-N 3.31Å
158	Y	49.6	Very low	51	Low	217 Å²	217	156 Å²	156	85%	0.851	79%	0.789	S	S	*	*			trans	-72.1	104.7	161.9	-119.3	-93	0	0	0	106.7	K160	Y158-K160 PolarHBondContact O-N 3.46Å
159	V	50.9	Low	51.6	Low	119 Å²	119	154.4 Å²	154.4	72%	0.721	80%	0.795	S	S	*	*			trans	-62.9	103.9	168.7	177.6	0	0	0	0	107.1	N157 E161	N157-V159 PolarHBondContact O-N 3.31Å; V159-E161 PolarHBondContact O-N 3.46Å
160	K	52.2	Low	51.9	Low	193 Å²	193	155 Å²	155	84%	0.839	80%	0.798	S	S	*	*			trans	-69.3	105.1	162	-85	179.8	175.9	175.2	0	106.8	Y158 S162	Y158-K160 PolarHBondContact O-N 3.46Å; K160-S162 VanDerWaalsContact C-N 3.32Å; K160-S162 PolarHBondContact O-N 3.1Å
161	E	50.5	Low	52.3	Low	180 Å²	180	150.4 Å²	150.4	84%	0.841	79%	0.794	S	S	*	*			trans	-65.5	98	163.6	-159.5	169	-155.7	0	0	107.1	V159 V163	V159-E161 PolarHBondContact O-N 3.46Å; E161-V163 PolarHBondContact O-N 3.07Å; E161-V163 VanDerWaalsContact O-N 3.14Å
162	S	53.3	Low	52.4	Low	97 Å²	97	151.5 Å²	151.5	68%	0.678	80%	0.801	S	S	*	*			trans	-67.6	105	168.9	37.6	0	0	0	0	107.7	K160 N164	K160-S162 VanDerWaalsContact C-N 3.32Å; K160-S162 PolarHBondContact O-N 3.1Å; S162-N164 PolarHBondContact O-N 2.95Å
163	V	48	Very low	53.1	Low	121 Å²	121	151.8 Å²	151.8	73%	0.733	81%	0.807	S	S	*	*			trans	-57.1	111.3	162.7	177.2	0	0	0	0	107.1	E161 E165	E161-V163 PolarHBondContact O-N 3.07Å; E161-V163 VanDerWaalsContact O-N 3.14Å; V163-E165 PolarHBondContact O-N 2.99Å
164	N	51.3	Low	53.6	Low	130 Å²	130	154.6 Å²	154.6	70%	0.695	81%	0.812	S	S	*	*			trans	-71.9	102.9	163.7	-73.7	-21.4	0	0	0	106.7	S162 E166	S162-N164 PolarHBondContact O-N 2.95Å; N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 HydrophobicContact CB-CG 4.42Å; N164-E166 PolarHBondContact O-N 2.99Å; N164-E166 VanDerWaalsContact O-N 3.14Å
165	E	51.9	Low	54.6	Low	182 Å²	182	154.1 Å²	154.1	85%	0.85	81%	0.81	S	S	*	*			trans	-68.9	94.1	154.7	-68.3	-177.5	172.7	0	0	105.8	V163	V163-E165 PolarHBondContact O-N 2.99Å
166	E	56.7	Low	54.8	Low	174 Å²	174	156.7 Å²	156.7	81%	0.813	82%	0.816	S	S	*	*			trans	-82.2	133.7	165	-74.6	-164.7	179.5	0	0	109.2	N164	N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 HydrophobicContact CB-CG 4.42Å; N164-E166 PolarHBondContact O-N 2.99Å; N164-E166 VanDerWaalsContact O-N 3.14Å
167	E	57.9	Low	54.9	Low	184 Å²	184	150.4 Å²	150.4	86%	0.86	80%	0.801	S	S	*	*			trans	-64.2	148.2	-167.3	-56.7	-177.1	157.7	0	0	112.1	D169	E167-D169 PolarHBondContact O-N 3.25Å; E167-D169 VanDerWaalsContact O-N 3.15Å
168	D	54.4	Low	55.1	Low	165 Å²	165	152.2 Å²	152.2	88%	0.882	80%	0.804	S	S	*	*			trans	-51.4	111.9	173.5	-56.7	-61.1	0	0	0	111.1
169	D	64.6	Low	55.6	Low	157 Å²	157	150.3 Å²	150.3	84%	0.84	80%	0.803	S	S	*	*			trans	-113.3	104.5	163.5	-165.3	22.6	0	0	0	108.4	E167 G171	E167-D169 PolarHBondContact O-N 3.25Å; E167-D169 VanDerWaalsContact O-N 3.15Å; D169-G171 PolarHBondContact O-N 3.39Å
170	D	57.5	Low	55.8	Low	165 Å²	165	149.7 Å²	149.7	88%	0.882	80%	0.804	S	S	*	*			trans	-68.5	88.5	175.9	-72.4	-45.8	0	0	0	109.7
171	G	53.9	Low	55.7	Low	64 Å²	64	145.8 Å²	145.8	66%	0.66	80%	0.797	S	S	*	*			trans	-121.1	102.4	171.6	0	0	0	0	0	111.3	D169 D173	D169-G171 PolarHBondContact O-N 3.39Å; G171-D173 PolarHBondContact O-N 3.03Å
172	D	53.4	Low	56	Low	167 Å²	167	144 Å²	144	89%	0.893	79%	0.792	S	S	*	*			trans	-55.5	110.4	169	-69.3	-48.6	0	0	0	110.8
173	D	62.1	Low	56.6	Low	164 Å²	164	147.3 Å²	147.3	88%	0.877	79%	0.794	S	S	*	*			trans	-149.7	112.7	155.1	-92.7	-34.5	0	0	0	109.3	G171 D175	G171-D173 PolarHBondContact O-N 3.03Å; D173-D175 PolarHBondContact O-N 2.85Å; D173-D175 VanDerWaalsContact O-N 3.11Å
174	D	57.1	Low	57.2	Low	179 Å²	179	150 Å²	150	96%	0.957	80%	0.796	S	S	*	*			trans	-64.9	99.3	171.2	-68.2	-54.7	0	0	0	109.5
175	D	66.6	Low	57.9	Low	143 Å²	143	150.7 Å²	150.7	77%	0.765	80%	0.8	S	S	*	*			trans	-134.8	107.1	163.5	-164	13.9	0	0	0	110.1	D173 G177	D173-D175 PolarHBondContact O-N 2.85Å; D173-D175 VanDerWaalsContact O-N 3.11Å; D175-G177 PolarHBondContact O-N 2.87Å
176	D	55.9	Low	58.3	Low	156 Å²	156	148.6 Å²	148.6	83%	0.834	80%	0.795	S	S	*	*			trans	-75.2	53.5	177.2	48.9	-34	0	0	0	112	E178	D176-E178 PolarHBondContact O-N 3.3Å
177	G	53.1	Low	58.3	Low	52 Å²	52	148.9 Å²	148.9	54%	0.536	80%	0.796	S	S	.	*			trans	-83.1	96.8	174	0	0	0	0	0	112.1	D175 Q179	D175-G177 PolarHBondContact O-N 2.87Å; G177-Q179 PolarHBondContact O-N 2.62Å
178	E	57.4	Low	58.2	Low	188 Å²	188	145.8 Å²	145.8	88%	0.879	79%	0.789	S	S	*	*			trans	-54.5	92.4	170.9	-64.4	-175.8	167.9	0	0	111.6	D176 S180	D176-E178 PolarHBondContact O-N 3.3Å; E178-S180 PolarHBondContact O-N 3.03Å; E178-S180 VanDerWaalsContact O-N 3.08Å
179	Q	58.5	Low	58.2	Low	176 Å²	176	145.1 Å²	145.1	82%	0.822	79%	0.786	S	S	*	*			trans	-69.2	103.8	166.3	-70.3	-81.5	-22.1	0	0	107.8	G177 T181	G177-Q179 PolarHBondContact O-N 2.62Å; Q179-T181 VanDerWaalsContact C-N 3.3Å; Q179-T181 PolarHBondContact O-N 2.89Å
180	S	55	Low	58	Low	106 Å²	106	143.2 Å²	143.2	74%	0.741	78%	0.776	S	S	*	*			trans	-64	90.6	169.1	-71.6	0	0	0	0	109.3	E178 L182	E178-S180 PolarHBondContact O-N 3.03Å; E178-S180 VanDerWaalsContact O-N 3.08Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 3.03Å
181	T	51.3	Low	58	Low	112 Å²	112	142.7 Å²	142.7	69%	0.687	77%	0.773	S	S	*	*			trans	-65.5	96.1	165.5	47.3	0	0	0	0	108.5	Q179 K183	Q179-T181 VanDerWaalsContact C-N 3.3Å; Q179-T181 PolarHBondContact O-N 2.89Å; T181-K183 PolarHBondContact O-N 3.28Å
182	L	56.9	Low	58.3	Low	141 Å²	141	143.4 Å²	143.4	74%	0.738	76%	0.761	S	S	*	*			trans	-61.7	102.4	169.8	-108.2	143.4	0	0	0	108.6	S180 F184	S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 3.03Å; L182-F184 HydrophobicContact CD2-CZ 4.3Å
183	K	66.3	Low	58.3	Low	168 Å²	168	141.3 Å²	141.3	73%	0.73	75%	0.754	S	S	*	*			trans	-87.2	115.7	168.7	-66.5	-176.4	180	-178.2	0	107.5	T181 D185	T181-K183 PolarHBondContact O-N 3.28Å; K183-D185 PolarHBondContact O-N 2.98Å
184	F	59.2	Low	58.1	Low	178 Å²	178	136.4 Å²	136.4	78%	0.781	73%	0.725	S	S	*	*			trans	-81.4	104.7	169.5	-69.9	-85.3	0	0	0	108.3	L182 N186	L182-F184 HydrophobicContact CD2-CZ 4.3Å; F184-N186 PolarHBondContact O-N 3.45Å
185	D	67.2	Low	58.3	Low	144 Å²	144	134.9 Å²	134.9	77%	0.77	72%	0.717	S	S	*	*			trans	-75.4	112.8	169.7	-67.1	-27.3	0	0	0	108.1	K183 E187	K183-D185 PolarHBondContact O-N 2.98Å; D185-E187 PolarHBondContact O-N 3.03Å; D185-E187 VanDerWaalsContact O-N 3.15Å
186	N	59	Low	57.6	Low	138 Å²	138	133 Å²	133	74%	0.738	72%	0.715	S	S	*	*			trans	-85.8	29.8	-172.6	-148.3	18.3	0	0	0	112.3	K52 F184	K52-N186 PolarHBondContact NZ-OD1 3.29Å; F184-N186 PolarHBondContact O-N 3.45Å
187	E	57.1	Low	57.3	Low	180 Å²	180	133.4 Å²	133.4	84%	0.841	71%	0.712	S	S	*	*			trans	-118.6	65.1	-171.4	-68.2	-170.7	175.2	0	0	112.3	D185	D185-E187 PolarHBondContact O-N 3.03Å; D185-E187 VanDerWaalsContact O-N 3.15Å
188	T	56.9	Low	56.8	Low	118 Å²	118	134.6 Å²	134.6	72%	0.724	72%	0.717	S	S	*	*			trans	-144.3	92.3	159.1	2.1	0	0	0	0	109.6	D190	T188-D190 PolarHBondContact O-N 3.42Å; T188-D190 VanDerWaalsContact O-N 3.1Å
189	D	53	Low	56.3	Low	152 Å²	152	135 Å²	135	81%	0.813	72%	0.716	S	S	*	*			trans	-77	73.1	170.9	-163.5	23.7	0	0	0	108.5
190	D	60.5	Low	55.8	Low	117 Å²	117	134.2 Å²	134.2	63%	0.626	71%	0.712	S	S	*	*			trans	-101.2	108	167.9	-75.5	-22.8	0	0	0	107.8	T188 I192	T188-D190 PolarHBondContact O-N 3.42Å; T188-D190 VanDerWaalsContact O-N 3.1Å; D190-I192 WeakPolarHBondContact O-CG1 3.38Å; D190-I192 PolarHBondContact O-N 3.22Å
191	D	57.9	Low	55.5	Low	153 Å²	153	136 Å²	136	82%	0.818	71%	0.714	S	S	*	*			trans	-55.9	91.1	172.3	-77.4	-45.3	0	0	0	110.7	T193	D191-T193 PolarHBondContact O-N 2.83Å
192	I	59.5	Low	55.8	Low	79 Å²	79	138.4 Å²	138.4	41%	0.405	72%	0.72	S	S	.	*			trans	-85	98.6	167.9	-43.8	173.8	0	0	0	107.5	D190 F194	D190-I192 WeakPolarHBondContact O-CG1 3.38Å; D190-I192 PolarHBondContact O-N 3.22Å; I192-F194 HydrophobicContact CB-CD2 4.05Å; I192-F194 HydrophobicContact CB-CE2 3.71Å; I192-F194 HydrophobicContact CD1-CE2 4.27Å; I192-F194 HydrophobicContact CG2-CD2 3.71Å; I192-F194 HydrophobicContact CG2-CE2 3.32Å; I192-F194 HydrophobicContact CG2-CG 4.5Å; I192-F194 HydrophobicContact CG2-CZ 3.83Å; I192-F194 WeakPolarHBondContact O-CD2 3.39Å; I192-F194 PolarHBondContact O-N 3.15Å
193	T	53.7	Low	55.5	Low	123 Å²	123	138.3 Å²	138.3	76%	0.755	72%	0.721	S	S	*	*			trans	-65.7	101.1	167.3	-53.3	0	0	0	0	108.8	D191	D191-T193 PolarHBondContact O-N 2.83Å
194	F	57.7	Low	54.7	Low	62 Å²	62	139.1 Å²	139.1	27%	0.272	73%	0.727	S	S	.	*			trans	-87.4	115.6	166.1	-76.6	-90	0	0	0	108.3	I192 S196	I192-F194 HydrophobicContact CB-CD2 4.05Å; I192-F194 HydrophobicContact CB-CE2 3.71Å; I192-F194 HydrophobicContact CD1-CE2 4.27Å; I192-F194 HydrophobicContact CG2-CD2 3.71Å; I192-F194 HydrophobicContact CG2-CE2 3.32Å; I192-F194 HydrophobicContact CG2-CG 4.5Å; I192-F194 HydrophobicContact CG2-CZ 3.83Å; I192-F194 WeakPolarHBondContact O-CD2 3.39Å; I192-F194 PolarHBondContact O-N 3.15Å; F194-S196 PolarHBondContact O-N 3.1Å
195	D	61.5	Low	54.5	Low	146 Å²	146	136.8 Å²	136.8	78%	0.781	73%	0.727	S	S	*	*			trans	-60.8	109	168.1	-78.2	-36	0	0	0	108.5	Q197	D195-Q197 PolarHBondContact O-N 3.08Å
196	S	52.1	Low	53.7	Low	105 Å²	105	135.8 Å²	135.8	73%	0.734	73%	0.729	S	S	*	*			trans	-60.4	96.7	169.3	-61.5	0	0	0	0	108.9	F194 A198	F194-S196 PolarHBondContact O-N 3.1Å; S196-A198 PolarHBondContact O-N 2.69Å
197	Q	49	Very low	53.4	Low	163 Å²	163	137.4 Å²	137.4	76%	0.762	74%	0.737	S	S	*	*			trans	-75.9	71.3	164.3	-69.6	-167.6	-6.4	0	0	109	D195	D195-Q197 PolarHBondContact O-N 3.08Å
198	A	42.6	Very low	53.4	Low	78 Å²	78	137.2 Å²	137.2	65%	0.645	74%	0.736	S	S	*	*			trans	-75.4	128.8	157.5	0	0	0	0	0	107.5	S196	S196-A198 PolarHBondContact O-N 2.69Å
199	K	48	Very low	53	Low	195 Å²	195	138.8 Å²	138.8	85%	0.848	74%	0.74	S	S	*	*			trans	89.4	75.8	175	-49.2	173	-175.6	-175.7	0	115.1
200	Q	48	Very low	52.6	Low	161 Å²	161	136.6 Å²	136.6	75%	0.752	73%	0.732	S	S	*	*			trans	-85.5	106.2	145.9	-75.8	-168.1	-23.7	0	0	107.8	I202	Q200-I202 PolarHBondContact O-N 2.84Å
201	D	48.4	Very low	52.3	Low	143 Å²	143	136.5 Å²	136.5	77%	0.765	74%	0.736	S	S	*	*			trans	-63.7	112.1	164.2	-87.9	-42	0	0	0	108.4	N203	D201-N203 PolarHBondContact O-N 2.83Å
202	I	56.6	Low	52	Low	162 Å²	162	135.8 Å²	135.8	83%	0.831	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	30.6	-178.6	49.4	172.1	0	0	0	113.9	Q200	Q200-I202 PolarHBondContact O-N 2.84Å
203	N	51.5	Low	51.8	Low	139 Å²	139	139.1 Å²	139.1	74%	0.743	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	17.4	-172.5	-69.9	-8.1	0	0	0	115	D201	D201-N203 PolarHBondContact O-N 2.83Å
204	E	49.4	Very low	51.7	Low	186 Å²	186	140 Å²	140	87%	0.869	75%	0.745	S	S	*	*			trans	-97.6	98.4	168.6	-77.8	-169.9	162.6	0	0	110.9
205	T	54.9	Low	51.5	Low	128 Å²	128	143.1 Å²	143.1	79%	0.785	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-50.1	129.7	160.4	23.4	0	0	0	0	110.3	L207	T205-L207 PolarHBondContact O-N 3.31Å
206	P	49.5	Very low	51.1	Low	123 Å²	123	143.5 Å²	143.5	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-64.3	121.5	173.2	-14.6	28	0	0	0	109.5	E208	P206-E208 PolarHBondContact O-N 3.33Å
207	L	54.6	Low	51.4	Low	173 Å²	173	145.7 Å²	145.7	91%	0.906	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.9	120.8	164.6	-95.9	150.6	0	0	0	108	T205 D209	T205-L207 PolarHBondContact O-N 3.31Å; L207-D209 PolarHBondContact O-N 2.88Å; L207-D209 VanDerWaalsContact O-N 3.15Å
208	E	56	Low	51.6	Low	175 Å²	175	145.8 Å²	145.8	82%	0.818	78%	0.776	S	S	*	*			trans	-56.5	115	170.9	-68.5	-172.6	160.1	0	0	109.4	P206 T210	P206-E208 PolarHBondContact O-N 3.33Å; E208-T210 PolarHBondContact O-N 3.45Å; E208-T210 VanDerWaalsContact O-N 3.08Å
209	D	47.7	Very low	52.3	Low	152 Å²	152	148.7 Å²	148.7	81%	0.813	78%	0.781	S	S	*	*			trans	-76.3	93.4	170.5	-144.1	3.7	0	0	0	107	L207 V211	L207-D209 PolarHBondContact O-N 2.88Å; L207-D209 VanDerWaalsContact O-N 3.15Å; D209-V211 VanDerWaalsContact C-N 3.32Å; D209-V211 PolarHBondContact O-N 3.01Å
210	T	46.3	Very low	52.7	Low	106 Å²	106	146.3 Å²	146.3	65%	0.65	78%	0.782	S	S	*	*			trans	-67.2	92.5	172.4	50.4	0	0	0	0	108.7	E208 N212	E208-T210 PolarHBondContact O-N 3.45Å; E208-T210 VanDerWaalsContact O-N 3.08Å; T210-N212 PolarHBondContact O-N 2.93Å; T210-N212 VanDerWaalsContact O-N 3.13Å
211	V	52.8	Low	53.3	Low	115 Å²	115	143.9 Å²	143.9	70%	0.697	78%	0.779	S	S	*	*			trans	-72.7	99.7	164.5	-174.9	0	0	0	0	106.8	D209 H213	D209-V211 VanDerWaalsContact C-N 3.32Å; D209-V211 PolarHBondContact O-N 3.01Å; V211-H213 PolarHBondContact O-N 3.13Å
212	N	51.9	Low	53.6	Low	138 Å²	138	145.4 Å²	145.4	74%	0.738	78%	0.781	S	S	*	*			trans	-62	102.8	161.5	-74	-37.9	0	0	0	107	T210 D214	T210-N212 PolarHBondContact O-N 2.93Å; T210-N212 VanDerWaalsContact O-N 3.13Å; N212-D214 PolarHBondContact O-N 3.44Å
213	H	55	Low	53.9	Low	149 Å²	149	146.7 Å²	146.7	69%	0.69	78%	0.784	S	S	*	*			trans	-79.9	102.4	165.8	-143	51.8	0	0	0	105.9	V211 D215	V211-H213 PolarHBondContact O-N 3.13Å; H213-D215 VanDerWaalsContact C-N 3.26Å; H213-D215 IonicContact CD2-OD1 2.79Å; H213-D215 PolarHBondContact CD2-OD1 3.35Å; H213-D215 PolarHBondContact O-N 2.99Å
214	D	51.7	Low	54	Low	141 Å²	141	145.8 Å²	145.8	75%	0.754	78%	0.783	S	S	*	*			trans	-66.6	93.2	165.7	-72.8	-40.6	0	0	0	106.9	N212 D216	N212-D214 PolarHBondContact O-N 3.44Å; D214-D216 VanDerWaalsContact C-N 3.25Å; D214-D216 PolarHBondContact O-N 2.98Å
215	D	55.2	Low	54.6	Low	128 Å²	128	143.6 Å²	143.6	68%	0.684	78%	0.782	S	S	*	*			trans	-69.8	85.7	167.9	-72.4	-33.3	0	0	0	108.2	H213 D217	H213-D215 VanDerWaalsContact C-N 3.26Å; H213-D215 IonicContact CD2-OD1 2.79Å; H213-D215 PolarHBondContact CD2-OD1 3.35Å; H213-D215 PolarHBondContact O-N 2.99Å; D215-D217 PolarHBondContact O-N 3.26Å
216	D	51.3	Low	54.5	Low	154 Å²	154	144.9 Å²	144.9	82%	0.824	79%	0.785	S	S	*	*			trans	-68.9	80	159.5	-81.9	-38.3	0	0	0	108.5	D214	D214-D216 VanDerWaalsContact C-N 3.25Å; D214-D216 PolarHBondContact O-N 2.98Å
217	D	58.6	Low	55.2	Low	150 Å²	150	144.8 Å²	144.8	80%	0.802	79%	0.786	S	S	*	*			trans	-113.6	111.9	165.1	-95.9	-30.9	0	0	0	110.2	D215 D219	D215-D217 PolarHBondContact O-N 3.26Å; D217-D219 PolarHBondContact O-N 3.03Å
218	D	54.8	Low	55.6	Low	166 Å²	166	145.4 Å²	145.4	89%	0.888	79%	0.785	S	S	*	*			trans	-48.4	109	172.3	-69.8	-54.8	0	0	0	112.9
219	D	55.8	Low	55.8	Low	139 Å²	139	144.4 Å²	144.4	74%	0.743	78%	0.784	S	S	*	*			trans	-155.4	77.7	151.5	-151	2.6	0	0	0	111.4	D217 T221	D217-D219 PolarHBondContact O-N 3.03Å; D219-T221 PolarHBondContact O-N 3.27Å
220	V	57.5	Low	56.1	Low	144 Å²	144	149.5 Å²	149.5	87%	0.873	80%	0.802	S	S	*	*			trans	-84.9	95	168.2	-167.8	0	0	0	0	107.9	E222	V220-E222 PolarHBondContact O-N 3.38Å
221	T	60.8	Low	56.6	Low	111 Å²	111	151.7 Å²	151.7	68%	0.681	81%	0.81	S	S	*	*			trans	-63.9	118.4	168.1	53.4	0	0	0	0	110.3	D219 E223	D219-T221 PolarHBondContact O-N 3.27Å; T221-E223 PolarHBondContact O-N 3.35Å
222	E	54.9	Low	56.8	Low	175 Å²	175	153.6 Å²	153.6	82%	0.818	82%	0.816	S	S	*	*			trans	-61.2	118.2	163.4	-69.6	-121.5	169.3	0	0	110.1	V220	V220-E222 PolarHBondContact O-N 3.38Å
223	E	62.7	Low	57.1	Low	189 Å²	189	154.4 Å²	154.4	88%	0.883	82%	0.82	S	S	*	*			trans	-140.5	113.1	147.4	-83.4	-128.3	159.6	0	0	111.1	T221	T221-E223 PolarHBondContact O-N 3.35Å
224	V	53.8	Low	57.2	Low	120 Å²	120	154.8 Å²	154.8	73%	0.727	83%	0.828	S	S	*	*			trans	-59.3	130.2	168.6	-96.2	0	0	0	0	112.6
225	T	60.2	Low	57.5	Low	140 Å²	140	155.6 Å²	155.6	86%	0.859	83%	0.832	S	S	*	*			trans	-147.4	107	139.9	53.5	0	0	0	0	110.8
226	D	53.5	Low	57.7	Low	155 Å²	155	157.5 Å²	157.5	83%	0.829	84%	0.842	S	S	*	*			trans	-64.9	132.7	159.7	-83	-38.3	0	0	0	110.1
227	S	65	Low	58.1	Low	120 Å²	120	157.7 Å²	157.7	84%	0.839	84%	0.844	S	S	*	*			trans	-161.7	93.7	149.1	-82.2	0	0	0	0	110.6
228	E	62.7	Low	58.1	Low	187 Å²	187	158.3 Å²	158.3	87%	0.874	85%	0.847	S	S	*	*			trans	-38.6	134.8	151.8	-170.8	-174.7	147.3	0	0	112.7
229	I	60.5	Low	58.4	Low	154 Å²	154	157.7 Å²	157.7	79%	0.79	84%	0.843	S	S	*	*			trans	-152.2	111.4	148.7	-89.2	140.7	0	0	0	108.5
230	Q	53.2	Low	58.6	Low	258 Å²	258	159.4 Å²	159.4	100%	1.206	85%	0.853	S	S	*	*			trans	52.9	0	146.8	-66.9	-179.3	-13.7	0	0	121.6

Retrieved 230 of 230 residues in 115.1 ms (Link to these results)

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