A0A3Q0KR32_SCHMA Loading...

Peptidase_M13 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 179 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	30	Very low	34.6	Very low	165 Å²	165	108.5 Å²	108.5	81%	0.813	59%	0.588	S	S	*	*				0	111.3	0	-172.5	173.8	-175.1	0	0	105.3	I3	M1-I3 PolarHBondContact O-N 3.16Å
2	E	29.3	Very low	35	Very low	174 Å²	174	106.2 Å²	106.2	81%	0.813	58%	0.575	S	S	*	*			trans	-73.1	110.6	175	-161.7	168.6	-163.3	0	0	106	L4	E2-L4 PolarHBondContact O-N 2.97Å
3	I	36.9	Very low	35.1	Very low	44 Å²	44	109.5 Å²	109.5	23%	0.226	58%	0.581	C	S	.	*			trans	-69.9	110.3	172.4	-61.7	173.9	0	0	0	104.2	M1 D5 M15 A18 R19	M1-I3 PolarHBondContact O-N 3.16Å; I3-D5 PolarHBondContact O-N 3.48Å; I3-M15 HydrophobicContact CG2-CB 4.31Å; I3-M15 HydrophobicContact CG2-CG 4.19Å; I3-M15 HydrophobicContact CG2-SD 4.2Å; I3-A18 HydrophobicContact CD1-CB 4.29Å; I3-R19 HydrophobicContact CD1-CB 3.78Å; I3-R19 HydrophobicContact CD1-CG 4.4Å
4	L	34.7	Very low	35.4	Very low	142 Å²	142	105.9 Å²	105.9	74%	0.743	56%	0.559	S	S	*	*			trans	-67.2	114.7	177.3	-64.3	172.8	0	0	0	107.5	E2	E2-L4 PolarHBondContact O-N 2.97Å
5	D	34.1	Very low	35.7	Very low	115 Å²	115	101 Å²	101	62%	0.615	53%	0.533	S	S	*	.			trans	-55.1	155.4	176.3	-67.3	-38.9	0	0	0	111.3	I3	I3-D5 PolarHBondContact O-N 3.48Å
6	G	34.3	Very low	36.2	Very low	11 Å²	11	96 Å²	96	11%	0.113	51%	0.51	C	S	.	.			trans	-59.4	164.2	170.7	0	0	0	0	0	111.9	D8 G9	G6-D8 PolarHBondContact O-N 3.22Å; G6-G9 PolarHBondContact O-N 3.3Å
7	P	38.1	Very low	36.7	Very low	115 Å²	115	95.4 Å²	95.4	75%	0.747	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.8	-173.2	19.4	-30.8	0	0	0	115.5
8	D	39.9	Very low	37	Very low	140 Å²	140	92.1 Å²	92.1	75%	0.749	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	17.6	178.9	-61	-50.9	0	0	0	113.6	G6 E10	G6-D8 PolarHBondContact O-N 3.22Å; D8-E10 PolarHBondContact O-N 2.94Å
9	G	37	Very low	37.5	Very low	54 Å²	54	94 Å²	94	56%	0.557	49%	0.487	S	S	*	.	S	Bend	trans	71.7	9.5	-172.2	0	0	0	0	0	113.7	G6 E11	G6-G9 PolarHBondContact O-N 3.3Å; G9-E11 PolarHBondContact O-N 3.32Å
10	E	31.7	Very low	37.9	Very low	151 Å²	151	93.1 Å²	93.1	71%	0.706	48%	0.482	S	S	*	.			trans	-78.5	116.8	174.8	-71.6	-167.9	165.1	0	0	111	D8 N12 M15	D8-E10 PolarHBondContact O-N 2.94Å; E10-N12 PolarHBondContact O-N 3.22Å; E10-M15 VanDerWaalsContact O-CE 3.28Å; E10-M15 WeakPolarHBondContact O-CE 3.46Å
11	E	35.2	Very low	38.1	Very low	83 Å²	83	95.7 Å²	95.7	39%	0.388	49%	0.486	S	S	.	.			trans	-75.2	106.9	171.2	-165.6	175.2	-151.5	0	0	108.7	G9 M15 A16 R19	G9-E11 PolarHBondContact O-N 3.32Å; E11-M15 HydrophobicContact CG-CB 3.84Å; E11-A16 VanDerWaalsContact CD-CA 3.42Å; E11-A16 HydrophobicContact CG-CB 3.86Å; E11-A16 VanDerWaalsContact OE1-CA 3.24Å; E11-A16 WeakPolarHBondContact OE1-CA 3.49Å; E11-R19 WeakPolarHBondContact OE1-CB 3.46Å; E11-R19 WeakPolarHBondContact OE1-CD 3.22Å
12	N	38.3	Very low	38.9	Very low	80 Å²	80	91.5 Å²	91.5	43%	0.428	47%	0.465	S	S	.	.			trans	-68.9	158.4	172.9	76.2	25.4	0	0	0	110.1	E10 E14 M15 A16	E10-N12 PolarHBondContact O-N 3.22Å; N12-E14 PolarHBondContact O-N 3.27Å; N12-E14 PolarHBondContact OD1-N 3.38Å; N12-M15 HydrophobicContact CB-CE 4.14Å; N12-M15 WeakPolarHBondContact O-CA 3.32Å; N12-M15 WeakPolarHBondContact O-CB 3.31Å; N12-M15 PolarHBondContact O-N 3.02Å; N12-M15 WeakPolarHBondContact OD1-CB 3.23Å; N12-M15 VanDerWaalsContact OD1-CG 3.29Å; N12-M15 WeakPolarHBondContact OD1-CG 3.32Å; N12-M15 PolarHBondContact OD1-N 2.84Å; N12-A16 PolarHBondContact O-N 3.31Å
13	F	37.3	Very low	39.9	Very low	150 Å²	150	88.7 Å²	88.7	66%	0.658	45%	0.454	S	S	*	.	H	α-helix	trans	-51.3	-35.5	-174.6	177.2	-104.8	0	0	0	113.3	R17	F13-R17 HydrophobicContact CE1-CG 4.3Å; F13-R17 HydrophobicContact CZ-CG 4.3Å; F13-R17 WeakPolarHBondContact O-CB 3.34Å; F13-R17 VanDerWaalsContact O-CG 3.23Å; F13-R17 WeakPolarHBondContact O-CG 3.44Å; F13-R17 PolarHBondContact O-N 2.93Å
14	E	39.1	Very low	40.1	Very low	59 Å²	59	92.9 Å²	92.9	28%	0.276	47%	0.467	S	S	.	.	H	α-helix	trans	-78.7	-32	179	-64.6	-55.8	134.1	0	0	113.1	N12 R17 A18	N12-E14 PolarHBondContact O-N 3.27Å; N12-E14 PolarHBondContact OD1-N 3.38Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 2.8Å; E14-R17 IonicContact OE1-NH1 3.36Å; E14-R17 PolarHBondContact OE1-NH1 3.11Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.74Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 PolarHBondContact OE2-NH1 2.79Å; E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.15Å
15	M	40.4	Very low	40.5	Very low	32 Å²	32	96.5 Å²	96.5	16%	0.158	47%	0.471	C	S	.	.	H	α-helix	trans	-67	-41.2	168.7	-71.3	-166.3	-63.1	0	0	111.1	I3 E10 E11 N12 R17 A18 R19	I3-M15 HydrophobicContact CG2-CB 4.31Å; I3-M15 HydrophobicContact CG2-CG 4.19Å; I3-M15 HydrophobicContact CG2-SD 4.2Å; E10-M15 VanDerWaalsContact O-CE 3.28Å; E10-M15 WeakPolarHBondContact O-CE 3.46Å; E11-M15 HydrophobicContact CG-CB 3.84Å; N12-M15 HydrophobicContact CB-CE 4.14Å; N12-M15 WeakPolarHBondContact O-CA 3.32Å; N12-M15 WeakPolarHBondContact O-CB 3.31Å; N12-M15 PolarHBondContact O-N 3.02Å; N12-M15 WeakPolarHBondContact OD1-CB 3.23Å; N12-M15 VanDerWaalsContact OD1-CG 3.29Å; N12-M15 WeakPolarHBondContact OD1-CG 3.32Å; N12-M15 PolarHBondContact OD1-N 2.84Å; M15-R17 VanDerWaalsContact C-N 3.32Å; M15-R17 PolarHBondContact O-N 3.41Å; M15-A18 PolarHBondContact O-N 3.34Å; M15-R19 VanDerWaalsContact O-CB 3.26Å; M15-R19 WeakPolarHBondContact O-CB 3.49Å; M15-R19 PolarHBondContact O-N 3.16Å
16	A	43	Very low	41.1	Very low	21 Å²	21	100 Å²	100	17%	0.174	48%	0.481	C	S	.	.	H	α-helix	trans	-60	-43.7	171.9	0	0	0	0	0	111	E11 N12 I20	E11-A16 VanDerWaalsContact CD-CA 3.42Å; E11-A16 HydrophobicContact CG-CB 3.86Å; E11-A16 VanDerWaalsContact OE1-CA 3.24Å; E11-A16 WeakPolarHBondContact OE1-CA 3.49Å; N12-A16 PolarHBondContact O-N 3.31Å; A16-I20 VanDerWaalsContact O-CB 3.27Å; A16-I20 WeakPolarHBondContact O-CB 3.29Å; A16-I20 WeakPolarHBondContact O-CD1 3.41Å; A16-I20 WeakPolarHBondContact O-CG1 3.49Å; A16-I20 PolarHBondContact O-N 3.28Å
17	R	44	Very low	41.3	Very low	86 Å²	86	103.6 Å²	103.6	33%	0.325	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-42.1	176.8	-76.8	179.4	60.9	-145.9	-11	113	F13 E14 M15 I20 W21	F13-R17 HydrophobicContact CE1-CG 4.3Å; F13-R17 HydrophobicContact CZ-CG 4.3Å; F13-R17 WeakPolarHBondContact O-CB 3.34Å; F13-R17 VanDerWaalsContact O-CG 3.23Å; F13-R17 WeakPolarHBondContact O-CG 3.44Å; F13-R17 PolarHBondContact O-N 2.93Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 2.8Å; E14-R17 IonicContact OE1-NH1 3.36Å; E14-R17 PolarHBondContact OE1-NH1 3.11Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.74Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 PolarHBondContact OE2-NH1 2.79Å; M15-R17 VanDerWaalsContact C-N 3.32Å; M15-R17 PolarHBondContact O-N 3.41Å; R17-I20 PolarHBondContact O-N 3.41Å; R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3Å
18	A	43.3	Very low	41.2	Very low	35 Å²	35	100.9 Å²	100.9	29%	0.289	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.8	0	0	0	0	0	111.4	I3 E14 M15 W21 Q22	I3-A18 HydrophobicContact CD1-CB 4.29Å; E14-A18 VanDerWaalsContact O-CB 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.15Å; M15-A18 PolarHBondContact O-N 3.34Å; A18-W21 PolarHBondContact O-N 3.42Å; A18-Q22 WeakPolarHBondContact O-CG 3.42Å; A18-Q22 PolarHBondContact O-N 3.41Å
19	R	46.9	Very low	41	Very low	129 Å²	129	105.2 Å²	105.2	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-45	173.9	-171.5	178.4	174.8	-111.6	-1.2	111.3	I3 E11 M15 W21 Q22 L23	I3-R19 HydrophobicContact CD1-CB 3.78Å; I3-R19 HydrophobicContact CD1-CG 4.4Å; E11-R19 WeakPolarHBondContact OE1-CB 3.46Å; E11-R19 WeakPolarHBondContact OE1-CD 3.22Å; M15-R19 VanDerWaalsContact O-CB 3.26Å; M15-R19 WeakPolarHBondContact O-CB 3.49Å; M15-R19 PolarHBondContact O-N 3.16Å; R19-W21 VanDerWaalsContact C-N 3.32Å; R19-W21 PolarHBondContact O-N 3.41Å; R19-Q22 PolarHBondContact O-N 3.37Å; R19-L23 HydrophobicContact CG-CD1 3.82Å; R19-L23 HydrophobicContact CG-CG 4.35Å; R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.14Å; R19-L23 WeakPolarHBondContact O-CG 3.32Å; R19-L23 PolarHBondContact O-N 3.07Å
20	I	43.9	Very low	41	Very low	75 Å²	75	107.6 Å²	107.6	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-60.3	-41.4	174.9	-73	164.8	0	0	0	111	A16 R17 L23 R24	A16-I20 VanDerWaalsContact O-CB 3.27Å; A16-I20 WeakPolarHBondContact O-CB 3.29Å; A16-I20 WeakPolarHBondContact O-CD1 3.41Å; A16-I20 WeakPolarHBondContact O-CG1 3.49Å; A16-I20 PolarHBondContact O-N 3.28Å; R17-I20 PolarHBondContact O-N 3.41Å; I20-L23 PolarHBondContact O-N 3.46Å; I20-R24 HydrophobicContact CG2-CG 4.11Å; I20-R24 VanDerWaalsContact O-CB 3.26Å; I20-R24 WeakPolarHBondContact O-CB 3.02Å; I20-R24 WeakPolarHBondContact O-CG 3.49Å; I20-R24 PolarHBondContact O-N 3.4Å
21	W	41.9	Very low	41.2	Very low	148 Å²	148	106.2 Å²	106.2	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-63.4	-44.5	176.1	-179.7	87.9	0	0	0	112	R17 A18 R19	R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3Å; A18-W21 PolarHBondContact O-N 3.42Å; R19-W21 VanDerWaalsContact C-N 3.32Å; R19-W21 PolarHBondContact O-N 3.41Å
22	Q	47.1	Very low	41.2	Very low	78 Å²	78	104.7 Å²	104.7	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-40.4	174.8	-73	-178.8	4.1	0	0	112.1	A18 R19	A18-Q22 WeakPolarHBondContact O-CG 3.42Å; A18-Q22 PolarHBondContact O-N 3.41Å; R19-Q22 PolarHBondContact O-N 3.37Å
23	L	50.1	Low	41.3	Very low	114 Å²	114	102.3 Å²	102.3	60%	0.597	48%	0.478	S	S	*	.	H	α-helix	trans	-75.1	-37.1	-178.4	-72	171.7	0	0	0	113.3	R19 I20 R25	R19-L23 HydrophobicContact CG-CD1 3.82Å; R19-L23 HydrophobicContact CG-CG 4.35Å; R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.14Å; R19-L23 WeakPolarHBondContact O-CG 3.32Å; R19-L23 PolarHBondContact O-N 3.07Å; I20-L23 PolarHBondContact O-N 3.46Å; L23-R25 PolarHBondContact O-N 3.29Å
24	R	42	Very low	41.2	Very low	132 Å²	132	95.8 Å²	95.8	50%	0.498	45%	0.45	S	S	.	.	S	Bend	trans	-88.2	5.5	-171.8	-71.5	-163.3	-162.6	-163.9	5.1	115.7	I20 S27 D28	I20-R24 HydrophobicContact CG2-CG 4.11Å; I20-R24 VanDerWaalsContact O-CB 3.26Å; I20-R24 WeakPolarHBondContact O-CB 3.02Å; I20-R24 WeakPolarHBondContact O-CG 3.49Å; I20-R24 PolarHBondContact O-N 3.4Å; R24-S27 PolarHBondContact O-OG 3.35Å; R24-D28 IonicContact CZ-OD2 3.91Å; R24-D28 IonicContact NH1-OD2 2.89Å; R24-D28 PolarHBondContact NH1-OD2 3.18Å
25	R	44	Very low	41.1	Very low	219 Å²	219	95.1 Å²	95.1	83%	0.826	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.4	84.6	177.3	-74.9	-172.8	119.9	177.2	3.2	113.2	L23 S27	L23-R25 PolarHBondContact O-N 3.29Å; R25-S27 WeakPolarHBondContact O-CB 3.31Å; R25-S27 PolarHBondContact O-N 2.91Å
26	K	46.4	Very low	41.2	Very low	189 Å²	189	97.2 Å²	97.2	82%	0.822	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	14.8	164.7	-60.7	-171.1	176.9	-173.5	0	117.6
27	S	37.8	Very low	41.2	Very low	86 Å²	86	101.5 Å²	101.5	60%	0.601	49%	0.492	S	S	*	.			trans	-104.4	-14.5	-167.1	65.5	0	0	0	0	114	R24 R25 R29	R24-S27 PolarHBondContact O-OG 3.35Å; R25-S27 WeakPolarHBondContact O-CB 3.31Å; R25-S27 PolarHBondContact O-N 2.91Å; S27-R29 PolarHBondContact O-N 2.8Å; S27-R29 VanDerWaalsContact O-N 3.13Å
28	D	36.6	Very low	40.9	Very low	58 Å²	58	100.1 Å²	100.1	31%	0.31	49%	0.491	S	S	.	.			trans	-87.8	81.7	178	-148.7	-33.2	0	0	0	110.8	R24 S30	R24-D28 IonicContact CZ-OD2 3.91Å; R24-D28 IonicContact NH1-OD2 2.89Å; R24-D28 PolarHBondContact NH1-OD2 3.18Å; D28-S30 PolarHBondContact O-N 2.95Å; D28-S30 PolarHBondContact OD1-OG 3.27Å
29	R	34.7	Very low	40.8	Very low	231 Å²	231	99.2 Å²	99.2	87%	0.872	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.4	-177.4	-74	-173.6	-77.3	-150.9	-3.6	114.8	S27	S27-R29 PolarHBondContact O-N 2.8Å; S27-R29 VanDerWaalsContact O-N 3.13Å
30	S	38.4	Very low	40.8	Very low	104 Å²	104	97.2 Å²	97.2	73%	0.727	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.2	-171.5	65.7	0	0	0	0	114.4	D28	D28-S30 PolarHBondContact O-N 2.95Å; D28-S30 PolarHBondContact OD1-OG 3.27Å
31	F	35.1	Very low	40.8	Very low	122 Å²	122	97.3 Å²	97.3	54%	0.535	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-25.6	-178.3	-160.3	-94.6	0	0	0	113.2
32	D	36	Very low	40.7	Very low	50 Å²	50	92 Å²	92	27%	0.267	48%	0.479	S	S	.	.	H	α-helix	trans	-85.7	-10.6	-172.2	-78.9	-23.8	0	0	0	115.6	A36	D32-A36 WeakPolarHBondContact O-CB 3.44Å; D32-A36 PolarHBondContact O-N 3.5Å
33	G	39.4	Very low	40.3	Very low	30 Å²	30	92.1 Å²	92.1	31%	0.309	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-41.8	-179.9	0	0	0	0	0	112.7	D37	G33-D37 WeakPolarHBondContact O-CB 3.48Å; G33-D37 PolarHBondContact O-N 3.02Å
34	L	36	Very low	39.9	Very low	14 Å²	14	87.9 Å²	87.9	7%	0.073	46%	0.459	C	S	.	.	H	α-helix	trans	-71.5	-43.3	-176.8	-171.4	75.4	0	0	0	112.3	A36 D37 L38 W84	L34-A36 VanDerWaalsContact C-N 3.31Å; L34-D37 PolarHBondContact O-N 3.5Å; L34-L38 HydrophobicContact CD1-CD1 3.58Å; L34-L38 HydrophobicContact CD1-CD2 4.34Å; L34-L38 HydrophobicContact CD1-CG 3.7Å; L34-L38 HydrophobicContact CD2-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.43Å; L34-L38 VanDerWaalsContact CG-CD1 3.43Å; L34-L38 HydrophobicContact CG-CG 3.84Å; L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.26Å; L34-W84 HydrophobicContact CD2-CB 3.67Å; L34-W84 HydrophobicContact CD2-CG 3.84Å
35	V	37.2	Very low	40.1	Very low	45 Å²	45	84.6 Å²	84.6	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-69.3	-32.6	179	179.1	0	0	0	0	110.6	T39 C44	V35-T39 PolarHBondContact O-OG1 2.74Å; V35-C44 WeakPolarHBondContact CG1-SG 3.42Å
36	A	41.7	Very low	40.3	Very low	75 Å²	75	74.8 Å²	74.8	62%	0.62	41%	0.413	S	S	*	.	H	α-helix	trans	-74.4	-35	171.4	0	0	0	0	0	113.3	D32 L34	D32-A36 WeakPolarHBondContact O-CB 3.44Å; D32-A36 PolarHBondContact O-N 3.5Å; L34-A36 VanDerWaalsContact C-N 3.31Å
37	D	43.3	Very low	40.3	Very low	111 Å²	111	67.7 Å²	67.7	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-79.1	-35.1	-178.5	-75	-17.9	0	0	0	113.3	G33 L34 R87	G33-D37 WeakPolarHBondContact O-CB 3.48Å; G33-D37 PolarHBondContact O-N 3.02Å; L34-D37 PolarHBondContact O-N 3.5Å; D37-R87 IonicContact OD2-NH1 3.47Å; D37-R87 PolarHBondContact OD2-NH1 3.21Å; D37-R87 IonicContact OD2-NH2 3.97Å
38	L	37.3	Very low	40.9	Very low	57 Å²	57	68.5 Å²	68.5	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-86.5	-15.9	-173	-74.7	-176.4	0	0	0	114.2	L34 R83	L34-L38 HydrophobicContact CD1-CD1 3.58Å; L34-L38 HydrophobicContact CD1-CD2 4.34Å; L34-L38 HydrophobicContact CD1-CG 3.7Å; L34-L38 HydrophobicContact CD2-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.43Å; L34-L38 VanDerWaalsContact CG-CD1 3.43Å; L34-L38 HydrophobicContact CG-CG 3.84Å; L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.26Å; L38-R83 HydrophobicContact CD1-CB 4.44Å; L38-R83 HydrophobicContact CD1-CG 3.71Å
39	T	42.3	Very low	41.6	Very low	17 Å²	17	66.5 Å²	66.5	10%	0.104	37%	0.367	C	S	.	.	S	Bend	trans	-140.7	103.8	-167.1	25.8	0	0	0	0	108.7	V35 S41 Q43 C44	V35-T39 PolarHBondContact O-OG1 2.74Å; T39-S41 PolarHBondContact O-N 3.35Å; T39-Q43 HydrophobicContact CG2-CB 3.35Å; T39-Q43 HydrophobicContact CG2-CG 4.41Å; T39-C44 VanDerWaalsContact CB-SG 3.58Å; T39-C44 PolarHBondContact OG1-SG 2.82Å
40	P	45.8	Very low	42.3	Very low	87 Å²	87	58.7 Å²	58.7	57%	0.565	34%	0.341	S	S	*	.			trans	-46.4	143.8	159.5	-21.3	31.9	0	0	0	108.1	S42 Q43	P40-S42 PolarHBondContact O-N 2.95Å; P40-Q43 PolarHBondContact O-N 2.78Å
41	S	44.1	Very low	42.9	Very low	77 Å²	77	56 Å²	56	54%	0.538	32%	0.318	S	S	.	.	H	α-helix	trans	-36.9	-32.2	-168.9	40.5	0	0	0	0	116.3	T39	T39-S41 PolarHBondContact O-N 3.35Å
42	S	40.2	Very low	43.7	Very low	37 Å²	37	54.7 Å²	54.7	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-33.6	179.6	56.5	0	0	0	0	116.5	P40 L46 Y139	P40-S42 PolarHBondContact O-N 2.95Å; S42-L46 VanDerWaalsContact O-CD1 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.2Å; S42-L46 PolarHBondContact O-N 3.05Å; S42-Y139 WeakPolarHBondContact CA-OH 3.47Å; S42-Y139 PolarHBondContact O-OH 3.21Å
43	Q	38.4	Very low	44.4	Very low	80 Å²	80	53.1 Å²	53.1	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-79.1	-29.7	-173.8	-74.1	-177.2	28.9	0	0	113.4	T39 P40 T47	T39-Q43 HydrophobicContact CG2-CB 3.35Å; T39-Q43 HydrophobicContact CG2-CG 4.41Å; P40-Q43 PolarHBondContact O-N 2.78Å; Q43-T47 PolarHBondContact O-N 3.36Å; Q43-T47 PolarHBondContact O-OG1 3.23Å
44	C	40.7	Very low	45	Very low	24 Å²	24	53 Å²	53	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-44.7	170.7	-67.8	0	0	0	0	111.5	V35 T39 L46 T47 F48	V35-C44 WeakPolarHBondContact CG1-SG 3.42Å; T39-C44 VanDerWaalsContact CB-SG 3.58Å; T39-C44 PolarHBondContact OG1-SG 2.82Å; C44-L46 VanDerWaalsContact C-N 3.3Å; C44-L46 PolarHBondContact O-N 3.21Å; C44-T47 PolarHBondContact O-N 3.42Å; C44-T47 VanDerWaalsContact O-N 3.12Å; C44-F48 HydrophobicContact CB-CD2 4.36Å; C44-F48 HydrophobicContact CB-CE2 4.31Å; C44-F48 WeakPolarHBondContact O-CD2 3.44Å; C44-F48 PolarHBondContact O-N 3.12Å
45	E	46.5	Very low	45.7	Very low	63 Å²	63	53.8 Å²	53.8	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-55.5	-48.5	177.7	-74.4	-169.8	176.5	0	0	110.8	T47 F48 E49 Y139 K148	E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 2.93Å; E45-F48 PolarHBondContact O-N 2.95Å; E45-E49 WeakPolarHBondContact O-CB 3.25Å; E45-E49 WeakPolarHBondContact O-CG 3.34Å; E45-E49 PolarHBondContact O-N 3.33Å; E45-Y139 PolarHBondContact OE2-OH 2.73Å; E45-K148 IonicContact OE2-NZ 3.69Å; E45-K148 PolarHBondContact OE2-NZ 2.87Å
46	L	47.7	Very low	46.2	Very low	14 Å²	14	59 Å²	59	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-41.6	177.8	-69.9	155.5	0	0	0	112.4	S42 C44 E49 M50 L134 Y139 L152	S42-L46 VanDerWaalsContact O-CD1 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.2Å; S42-L46 PolarHBondContact O-N 3.05Å; C44-L46 VanDerWaalsContact C-N 3.3Å; C44-L46 PolarHBondContact O-N 3.21Å; L46-E49 PolarHBondContact O-N 3.18Å; L46-M50 VanDerWaalsContact O-CB 3.31Å; L46-M50 WeakPolarHBondContact O-CB 3.27Å; L46-M50 WeakPolarHBondContact O-CG 3.03Å; L46-M50 PolarHBondContact O-N 3.4Å; L46-L134 HydrophobicContact CD1-CD1 3.37Å; L46-L134 HydrophobicContact CD1-CD2 3.2Å; L46-L134 HydrophobicContact CD1-CG 3.83Å; L46-L134 HydrophobicContact CD2-CD2 3.6Å; L46-L134 HydrophobicContact CG-CD2 4.02Å; L46-Y139 HydrophobicContact CD2-CD2 3.71Å; L46-Y139 HydrophobicContact CD2-CE2 3.94Å; L46-Y139 HydrophobicContact CD2-CG 4.07Å; L46-Y139 HydrophobicContact CG-CD2 4.33Å; L46-Y139 HydrophobicContact CG-CE2 4.07Å; L46-L152 HydrophobicContact CD2-CD1 3.42Å; L46-L152 VanDerWaalsContact CD2-CD1 3.42Å; L46-L152 HydrophobicContact CD2-CD2 4.33Å
47	T	47.1	Very low	46.6	Very low	39 Å²	39	57.1 Å²	57.1	24%	0.239	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-42.1	178.8	-53.2	0	0	0	0	111.2	Q43 C44 E45 M50 I51 A76 I80	Q43-T47 PolarHBondContact O-N 3.36Å; Q43-T47 PolarHBondContact O-OG1 3.23Å; C44-T47 PolarHBondContact O-N 3.42Å; C44-T47 VanDerWaalsContact O-N 3.12Å; E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 2.93Å; T47-M50 PolarHBondContact O-N 2.9Å; T47-I51 HydrophobicContact CG2-CD1 4.26Å; T47-I51 VanDerWaalsContact O-CG1 3.29Å; T47-I51 WeakPolarHBondContact O-CG1 3.27Å; T47-I51 PolarHBondContact O-N 3.08Å; T47-A76 HydrophobicContact CG2-CB 3.81Å; T47-I80 HydrophobicContact CG2-CD1 4.38Å
48	F	50.1	Low	47	Very low	103 Å²	103	56.4 Å²	56.4	45%	0.452	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-48.4	173.8	-77.8	-63.8	0	0	0	111.4	C44 E45 M50 I51 H52	C44-F48 HydrophobicContact CB-CD2 4.36Å; C44-F48 HydrophobicContact CB-CE2 4.31Å; C44-F48 WeakPolarHBondContact O-CD2 3.44Å; C44-F48 PolarHBondContact O-N 3.12Å; E45-F48 PolarHBondContact O-N 2.95Å; F48-M50 VanDerWaalsContact C-N 3.27Å; F48-M50 PolarHBondContact O-N 2.84Å; F48-I51 PolarHBondContact O-N 3.45Å; F48-I51 VanDerWaalsContact O-N 3.1Å; F48-H52 WeakPolarHBondContact O-CB 3.44Å; F48-H52 PolarHBondContact O-CD2 2.83Å; F48-H52 PolarHBondContact O-N 3.35Å
49	E	51.6	Low	47.7	Very low	17 Å²	17	60.3 Å²	60.3	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-37.9	178.8	-64.6	-73.5	114	0	0	111.1	E45 L46 H52 M53 Y149	E45-E49 WeakPolarHBondContact O-CB 3.25Å; E45-E49 WeakPolarHBondContact O-CG 3.34Å; E45-E49 PolarHBondContact O-N 3.33Å; L46-E49 PolarHBondContact O-N 3.18Å; E49-H52 PolarHBondContact O-N 3.44Å; E49-M53 WeakPolarHBondContact O-CB 3.12Å; E49-M53 WeakPolarHBondContact O-CG 3.29Å; E49-M53 PolarHBondContact O-N 2.86Å; E49-Y149 HydrophobicContact CB-CE1 4.35Å; E49-Y149 PolarHBondContact OE1-OH 2.87Å; E49-Y149 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y149 WeakPolarHBondContact OE2-CE2 3.27Å; E49-Y149 PolarHBondContact OE2-OH 2.69Å
50	M	50	Low	48	Very low	67 Å²	67	63.6 Å²	63.6	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-47.8	172.3	-74.9	172.3	72.5	0	0	111.9	L46 T47 F48 H52 M53 V54 I156	L46-M50 VanDerWaalsContact O-CB 3.31Å; L46-M50 WeakPolarHBondContact O-CB 3.27Å; L46-M50 WeakPolarHBondContact O-CG 3.03Å; L46-M50 PolarHBondContact O-N 3.4Å; T47-M50 PolarHBondContact O-N 2.9Å; F48-M50 VanDerWaalsContact C-N 3.27Å; F48-M50 PolarHBondContact O-N 2.84Å; M50-H52 VanDerWaalsContact C-N 3.32Å; M50-H52 PolarHBondContact O-N 3.24Å; M50-M53 PolarHBondContact O-N 3.06Å; M50-V54 VanDerWaalsContact O-CG2 3.31Å; M50-V54 WeakPolarHBondContact O-CG2 3.47Å; M50-V54 PolarHBondContact O-N 3.29Å; M50-I156 HydrophobicContact CG-CD1 3.87Å
51	I	50.2	Low	48.2	Very low	47 Å²	47	60.3 Å²	60.3	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-43.8	176.7	-68.6	164.2	0	0	0	110.6	T47 F48 V54 S55 F73	T47-I51 HydrophobicContact CG2-CD1 4.26Å; T47-I51 VanDerWaalsContact O-CG1 3.29Å; T47-I51 WeakPolarHBondContact O-CG1 3.27Å; T47-I51 PolarHBondContact O-N 3.08Å; F48-I51 PolarHBondContact O-N 3.45Å; F48-I51 VanDerWaalsContact O-N 3.1Å; I51-V54 PolarHBondContact O-N 2.95Å; I51-S55 WeakPolarHBondContact O-CB 3.18Å; I51-S55 PolarHBondContact O-N 3.5Å; I51-F73 HydrophobicContact CG2-CE1 4.36Å
52	H	51.7	Low	48.7	Very low	94 Å²	94	60.6 Å²	60.6	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-43.3	177.2	-82.5	-118.1	0	0	0	111.8	F48 E49 M50 S55 Y56 Y149	F48-H52 WeakPolarHBondContact O-CB 3.44Å; F48-H52 PolarHBondContact O-CD2 2.83Å; F48-H52 PolarHBondContact O-N 3.35Å; E49-H52 PolarHBondContact O-N 3.44Å; M50-H52 VanDerWaalsContact C-N 3.32Å; M50-H52 PolarHBondContact O-N 3.24Å; H52-S55 PolarHBondContact O-N 2.87Å; H52-Y56 WeakPolarHBondContact O-CB 3.32Å; H52-Y56 PolarHBondContact O-N 3.27Å; H52-Y149 HydrophobicContact CB-CE1 4.18Å
53	M	51.8	Low	49.5	Very low	17 Å²	17	65.4 Å²	65.4	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-45.8	177.2	-77.7	173.5	44.7	0	0	112.2	E49 M50 S55 Y56 V57 Y149 L152 I156	E49-M53 WeakPolarHBondContact O-CB 3.12Å; E49-M53 WeakPolarHBondContact O-CG 3.29Å; E49-M53 PolarHBondContact O-N 2.86Å; M50-M53 PolarHBondContact O-N 3.06Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.25Å; M53-Y56 WeakPolarHBondContact O-CB 3.42Å; M53-Y56 PolarHBondContact O-N 3.27Å; M53-V57 VanDerWaalsContact O-CG2 3.27Å; M53-V57 WeakPolarHBondContact O-CG2 3.49Å; M53-V57 PolarHBondContact O-N 3.43Å; M53-Y149 HydrophobicContact CG-CD1 3.63Å; M53-Y149 HydrophobicContact CG-CE1 3.83Å; M53-Y149 HydrophobicContact SD-CD1 4.1Å; M53-L152 HydrophobicContact SD-CB 4.48Å; M53-I156 HydrophobicContact CE-CB 3.6Å; M53-I156 HydrophobicContact CE-CD1 3.35Å; M53-I156 HydrophobicContact CE-CG1 3.99Å; M53-I156 HydrophobicContact CE-CG2 3.92Å; M53-I156 HydrophobicContact SD-CD1 4.02Å
54	V	50.5	Low	50.2	Low	28 Å²	28	63.8 Å²	63.8	17%	0.17	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-40.7	177.9	-175.2	0	0	0	0	110.1	M50 I51 Y56 V57 E58 P72 F73	M50-V54 VanDerWaalsContact O-CG2 3.31Å; M50-V54 WeakPolarHBondContact O-CG2 3.47Å; M50-V54 PolarHBondContact O-N 3.29Å; I51-V54 PolarHBondContact O-N 2.95Å; V54-Y56 VanDerWaalsContact C-N 3.32Å; V54-Y56 PolarHBondContact O-N 3.21Å; V54-V57 PolarHBondContact O-N 2.99Å; V54-E58 PolarHBondContact O-N 3.18Å; V54-P72 HydrophobicContact CG1-CB 3.93Å; V54-P72 HydrophobicContact CG1-CG 3.79Å; V54-F73 HydrophobicContact CB-CE1 3.84Å; V54-F73 HydrophobicContact CB-CE2 4.09Å; V54-F73 HydrophobicContact CB-CZ 3.54Å; V54-F73 HydrophobicContact CG1-CD1 4.47Å; V54-F73 HydrophobicContact CG1-CD2 3.93Å; V54-F73 HydrophobicContact CG1-CE1 3.85Å; V54-F73 HydrophobicContact CG1-CE2 3.18Å; V54-F73 HydrophobicContact CG1-CZ 3.17Å
55	S	51	Low	50.7	Low	31 Å²	31	66.7 Å²	66.7	22%	0.217	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-38.3	174.2	-174.5	0	0	0	0	112.6	I51 H52 M53 K59	I51-S55 WeakPolarHBondContact O-CB 3.18Å; I51-S55 PolarHBondContact O-N 3.5Å; H52-S55 PolarHBondContact O-N 2.87Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.25Å; S55-K59 WeakPolarHBondContact O-CG 3.36Å; S55-K59 PolarHBondContact O-N 3.41Å
56	Y	49	Very low	50.8	Low	155 Å²	155	65.1 Å²	65.1	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-65	-46.2	173.7	179.8	-96.8	0	0	0	111.4	H52 M53 V54 E58 K59 V60	H52-Y56 WeakPolarHBondContact O-CB 3.32Å; H52-Y56 PolarHBondContact O-N 3.27Å; M53-Y56 WeakPolarHBondContact O-CB 3.42Å; M53-Y56 PolarHBondContact O-N 3.27Å; V54-Y56 VanDerWaalsContact C-N 3.32Å; V54-Y56 PolarHBondContact O-N 3.21Å; Y56-E58 VanDerWaalsContact C-N 3.34Å; Y56-E58 PolarHBondContact O-N 2.95Å; Y56-K59 WeakPolarHBondContact O-CB 2.96Å; Y56-K59 PolarHBondContact O-N 3.14Å; Y56-K59 VanDerWaalsContact O-N 3.08Å; Y56-V60 HydrophobicContact CD1-CG1 4.41Å; Y56-V60 HydrophobicContact CD1-CG2 4.2Å; Y56-V60 HydrophobicContact CD2-CG1 4.45Å; Y56-V60 HydrophobicContact CE1-CG1 3.93Å; Y56-V60 HydrophobicContact CE1-CG2 3.97Å; Y56-V60 HydrophobicContact CE2-CG1 3.97Å; Y56-V60 WeakPolarHBondContact O-CG2 3.43Å; Y56-V60 PolarHBondContact O-N 2.79Å
57	V	48.7	Very low	50.6	Low	35 Å²	35	69 Å²	69	21%	0.212	38%	0.378	C	S	.	.	H	α-helix	trans	-61	-42.7	178.1	176.1	0	0	0	0	110.6	M53 V54 K59 V60 A61 L66	M53-V57 VanDerWaalsContact O-CG2 3.27Å; M53-V57 WeakPolarHBondContact O-CG2 3.49Å; M53-V57 PolarHBondContact O-N 3.43Å; V54-V57 PolarHBondContact O-N 2.99Å; V57-K59 PolarHBondContact O-N 2.59Å; V57-V60 PolarHBondContact O-N 3.49Å; V57-A61 HydrophobicContact CG1-CB 4.35Å; V57-A61 WeakPolarHBondContact O-CA 3.41Å; V57-A61 WeakPolarHBondContact O-CB 3.37Å; V57-A61 PolarHBondContact O-N 3.25Å; V57-L66 HydrophobicContact CG1-CD1 4.15Å; V57-L66 HydrophobicContact CG1-CD2 4.1Å
58	E	52	Low	50.3	Low	96 Å²	96	72 Å²	72	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-57.4	-34.8	173.5	-81.8	-172.7	155	0	0	113.9	V54 Y56 L66 F73	V54-E58 PolarHBondContact O-N 3.18Å; Y56-E58 VanDerWaalsContact C-N 3.34Å; Y56-E58 PolarHBondContact O-N 2.95Å; E58-L66 VanDerWaalsContact CA-CD1 3.44Å; E58-L66 HydrophobicContact CB-CD1 4Å; E58-L66 HydrophobicContact CG-CD1 3.35Å; E58-F73 HydrophobicContact CG-CE2 4.25Å; E58-F73 VanDerWaalsContact OE1-CE2 3.25Å; E58-F73 WeakPolarHBondContact OE1-CE2 3.43Å; E58-F73 WeakPolarHBondContact OE2-CE2 3.47Å
59	K	52.9	Low	49.6	Very low	139 Å²	139	68.1 Å²	68.1	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-76.3	-35.5	178.9	-71.6	172.3	-179.3	178.7	0	113.2	S55 Y56 V57	S55-K59 WeakPolarHBondContact O-CG 3.36Å; S55-K59 PolarHBondContact O-N 3.41Å; Y56-K59 WeakPolarHBondContact O-CB 2.96Å; Y56-K59 PolarHBondContact O-N 3.14Å; Y56-K59 VanDerWaalsContact O-N 3.08Å; V57-K59 PolarHBondContact O-N 2.59Å
60	V	48.8	Very low	49.1	Very low	85 Å²	85	72.1 Å²	72.1	52%	0.515	41%	0.406	S	S	.	.	H	α-helix	trans	-97.3	-21	-174.6	-56.6	0	0	0	0	113.6	Y56 V57	Y56-V60 HydrophobicContact CD1-CG1 4.41Å; Y56-V60 HydrophobicContact CD1-CG2 4.2Å; Y56-V60 HydrophobicContact CD2-CG1 4.45Å; Y56-V60 HydrophobicContact CE1-CG1 3.93Å; Y56-V60 HydrophobicContact CE1-CG2 3.97Å; Y56-V60 HydrophobicContact CE2-CG1 3.97Å; Y56-V60 WeakPolarHBondContact O-CG2 3.43Å; Y56-V60 PolarHBondContact O-N 2.79Å; V57-V60 PolarHBondContact O-N 3.49Å
61	A	49.7	Very low	48.4	Very low	19 Å²	19	71.4 Å²	71.4	16%	0.157	41%	0.408	C	S	.	.	S	Bend	trans	-70.6	138.5	-179.5	0	0	0	0	0	110.4	V57 M65 L66	V57-A61 HydrophobicContact CG1-CB 4.35Å; V57-A61 WeakPolarHBondContact O-CA 3.41Å; V57-A61 WeakPolarHBondContact O-CB 3.37Å; V57-A61 PolarHBondContact O-N 3.25Å; A61-M65 HydrophobicContact CB-CB 4.18Å; A61-M65 HydrophobicContact CB-SD 4.18Å; A61-L66 HydrophobicContact CB-CD1 4.13Å; A61-L66 HydrophobicContact CB-CG 4.13Å
62	P	54.5	Low	47.9	Very low	82 Å²	82	71 Å²	71	53%	0.532	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-51.8	142.1	171	-26.2	33.6	0	0	0	111.5	G64 M65	P62-G64 PolarHBondContact O-N 3.04Å; P62-M65 HydrophobicContact CB-CB 4.5Å; P62-M65 HydrophobicContact CG-SD 4.43Å; P62-M65 VanDerWaalsContact O-CB 3.23Å; P62-M65 WeakPolarHBondContact O-CB 3.34Å; P62-M65 PolarHBondContact O-N 2.79Å
63	P	56.6	Low	47.4	Very low	138 Å²	138	69.1 Å²	69.1	90%	0.896	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	128.2	174	-26.1	33.6	0	0	0	111
64	G	53	Low	46.7	Very low	46 Å²	46	74.3 Å²	74.3	47%	0.474	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-10.6	-178.2	0	0	0	0	0	115.7	P62 L66 S67	P62-G64 PolarHBondContact O-N 3.04Å; G64-L66 PolarHBondContact O-N 3.38Å; G64-S67 VanDerWaalsContact CA-OG 3.32Å; G64-S67 WeakPolarHBondContact CA-OG 3.19Å; G64-S67 PolarHBondContact O-N 3.12Å; G64-S67 PolarHBondContact O-OG 3.47Å
65	M	50.5	Low	46.2	Very low	86 Å²	86	75.6 Å²	75.6	42%	0.424	43%	0.433	S	S	.	.	S	Bend	trans	-65.1	-32.9	172.8	-172.5	173.1	-169.9	0	0	111.4	A61 P62 I164	A61-M65 HydrophobicContact CB-CB 4.18Å; A61-M65 HydrophobicContact CB-SD 4.18Å; P62-M65 HydrophobicContact CB-CB 4.5Å; P62-M65 HydrophobicContact CG-SD 4.43Å; P62-M65 VanDerWaalsContact O-CB 3.23Å; P62-M65 WeakPolarHBondContact O-CB 3.34Å; P62-M65 PolarHBondContact O-N 2.79Å; M65-I164 HydrophobicContact CE-CD1 3.81Å
66	L	48.9	Very low	45.7	Very low	30 Å²	30	75 Å²	75	16%	0.157	43%	0.43	C	S	.	.	S	Bend	trans	-96.8	-3.9	176.9	-64.2	173.9	0	0	0	114.3	V57 E58 A61 G64 V68 F69	V57-L66 HydrophobicContact CG1-CD1 4.15Å; V57-L66 HydrophobicContact CG1-CD2 4.1Å; E58-L66 VanDerWaalsContact CA-CD1 3.44Å; E58-L66 HydrophobicContact CB-CD1 4Å; E58-L66 HydrophobicContact CG-CD1 3.35Å; A61-L66 HydrophobicContact CB-CD1 4.13Å; A61-L66 HydrophobicContact CB-CG 4.13Å; G64-L66 PolarHBondContact O-N 3.38Å; L66-V68 PolarHBondContact O-N 2.95Å; L66-F69 HydrophobicContact CB-CD2 4.36Å; L66-F69 HydrophobicContact CD2-CD2 3.81Å; L66-F69 HydrophobicContact CD2-CE2 3.87Å; L66-F69 WeakPolarHBondContact O-CB 3.31Å; L66-F69 PolarHBondContact O-N 2.88Å
67	S	43.9	Very low	45.1	Very low	96 Å²	96	72.6 Å²	72.6	67%	0.671	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.8	-179.3	63.2	0	0	0	0	113.5	G64	G64-S67 VanDerWaalsContact CA-OG 3.32Å; G64-S67 WeakPolarHBondContact CA-OG 3.19Å; G64-S67 PolarHBondContact O-N 3.12Å; G64-S67 PolarHBondContact O-OG 3.47Å
68	V	42	Very low	44.8	Very low	100 Å²	100	72.6 Å²	72.6	61%	0.606	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.2	169.8	-170.5	0	0	0	0	111.2	L66 P70	L66-V68 PolarHBondContact O-N 2.95Å; V68-P70 VanDerWaalsContact O-CD 3.29Å; V68-P70 WeakPolarHBondContact O-CD 3.34Å
69	F	34.8	Very low	44.4	Very low	23 Å²	23	74.7 Å²	74.7	10%	0.101	43%	0.432	C	S	.	.	S	Bend	trans	-96.3	111.2	176.2	-58.4	-88.8	0	0	0	109.8	L66 S71 P72 I160 A163 I164	L66-F69 HydrophobicContact CB-CD2 4.36Å; L66-F69 HydrophobicContact CD2-CD2 3.81Å; L66-F69 HydrophobicContact CD2-CE2 3.87Å; L66-F69 WeakPolarHBondContact O-CB 3.31Å; L66-F69 PolarHBondContact O-N 2.88Å; F69-S71 PolarHBondContact O-N 3.47Å; F69-P72 HydrophobicContact CB-CB 4.32Å; F69-P72 HydrophobicContact CB-CG 4.15Å; F69-I160 HydrophobicContact CZ-CG2 4Å; F69-A163 HydrophobicContact CE1-CB 3.5Å; F69-A163 VanDerWaalsContact CE1-CB 3.5Å; F69-A163 HydrophobicContact CZ-CB 3.62Å; F69-I164 HydrophobicContact CE2-CG2 4.12Å; F69-I164 HydrophobicContact CZ-CG2 4.1Å
70	P	40.4	Very low	44	Very low	100 Å²	100	71.1 Å²	71.1	65%	0.649	42%	0.419	S	S	*	.	S	Bend	trans	-55.1	105.1	156.8	21.6	-32.6	0	0	0	108.2	V68 N125	V68-P70 VanDerWaalsContact O-CD 3.29Å; V68-P70 WeakPolarHBondContact O-CD 3.34Å; P70-N125 WeakPolarHBondContact CD-ND2 3.32Å
71	S	36.3	Very low	43.8	Very low	52 Å²	52	75.2 Å²	75.2	36%	0.364	43%	0.425	S	S	.	.			trans	21.8	95.1	-177.8	65.4	0	0	0	0	113.3	F69 F73 Q74	F69-S71 PolarHBondContact O-N 3.47Å; S71-F73 PolarHBondContact O-N 2.91Å; S71-Q74 PolarHBondContact O-N 3.31Å; S71-Q74 VanDerWaalsContact O-N 3.14Å; S71-Q74 WeakPolarHBondContact OG-CG 3.38Å; S71-Q74 PolarHBondContact OG-NE2 2.95Å
72	P	40	Very low	43.7	Very low	38 Å²	38	79.6 Å²	79.6	25%	0.247	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-2.5	179.8	17.8	-25.8	0	0	0	114.5	V54 F69	V54-P72 HydrophobicContact CG1-CB 3.93Å; V54-P72 HydrophobicContact CG1-CG 3.79Å; F69-P72 HydrophobicContact CB-CB 4.32Å; F69-P72 HydrophobicContact CB-CG 4.15Å
73	F	39.7	Very low	43.3	Very low	55 Å²	55	80.2 Å²	80.2	24%	0.241	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.2	180	-68.6	-87.2	0	0	0	116.6	I51 V54 E58 S71 S75	I51-F73 HydrophobicContact CG2-CE1 4.36Å; V54-F73 HydrophobicContact CB-CE1 3.84Å; V54-F73 HydrophobicContact CB-CE2 4.09Å; V54-F73 HydrophobicContact CB-CZ 3.54Å; V54-F73 HydrophobicContact CG1-CD1 4.47Å; V54-F73 HydrophobicContact CG1-CD2 3.93Å; V54-F73 HydrophobicContact CG1-CE1 3.85Å; V54-F73 HydrophobicContact CG1-CE2 3.18Å; V54-F73 HydrophobicContact CG1-CZ 3.17Å; E58-F73 HydrophobicContact CG-CE2 4.25Å; E58-F73 VanDerWaalsContact OE1-CE2 3.25Å; E58-F73 WeakPolarHBondContact OE1-CE2 3.43Å; E58-F73 WeakPolarHBondContact OE2-CE2 3.47Å; S71-F73 PolarHBondContact O-N 2.91Å; F73-S75 VanDerWaalsContact C-N 3.27Å; F73-S75 PolarHBondContact O-N 2.93Å
74	Q	37.9	Very low	42.4	Very low	127 Å²	127	78.9 Å²	78.9	59%	0.593	42%	0.415	S	S	*	.	H	α-helix	trans	-72.4	-15.8	-179.6	-81.1	179.2	30.8	0	0	113.5	S71 A78	S71-Q74 PolarHBondContact O-N 3.31Å; S71-Q74 VanDerWaalsContact O-N 3.14Å; S71-Q74 WeakPolarHBondContact OG-CG 3.38Å; S71-Q74 PolarHBondContact OG-NE2 2.95Å; Q74-A78 WeakPolarHBondContact O-CA 3.38Å; Q74-A78 WeakPolarHBondContact O-CB 3.4Å; Q74-A78 PolarHBondContact O-N 2.85Å
75	S	40	Very low	42.2	Very low	54 Å²	54	79.6 Å²	79.6	38%	0.378	41%	0.407	S	S	.	.	H	α-helix	trans	-76.3	-44.7	-173.5	64.2	0	0	0	0	113.7	F73 W79	F73-S75 VanDerWaalsContact C-N 3.27Å; F73-S75 PolarHBondContact O-N 2.93Å; S75-W79 WeakPolarHBondContact O-CB 3.08Å; S75-W79 PolarHBondContact O-N 3.45Å; S75-W79 VanDerWaalsContact O-N 3.08Å
76	A	39.6	Very low	41.9	Very low	18 Å²	18	80.8 Å²	80.8	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-74.8	-48.8	178.8	0	0	0	0	0	111.7	T47 W79 I80	T47-A76 HydrophobicContact CG2-CB 3.81Å; A76-W79 PolarHBondContact O-N 3.28Å; A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.49Å; A76-I80 PolarHBondContact O-N 3.02Å
77	E	36.4	Very low	41.7	Very low	105 Å²	105	84.4 Å²	84.4	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-69.1	-43.1	179.6	-72	-167.1	155.8	0	0	112.6	W79 I80 R81	E77-W79 VanDerWaalsContact C-N 3.3Å; E77-W79 PolarHBondContact O-N 2.72Å; E77-I80 PolarHBondContact O-N 3.19Å; E77-R81 WeakPolarHBondContact O-CB 3.37Å; E77-R81 PolarHBondContact O-N 2.86Å
78	A	43.5	Very low	42.1	Very low	36 Å²	36	84.8 Å²	84.8	30%	0.298	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-30.7	175.4	0	0	0	0	0	111.4	Q74 R81 D82	Q74-A78 WeakPolarHBondContact O-CA 3.38Å; Q74-A78 WeakPolarHBondContact O-CB 3.4Å; Q74-A78 PolarHBondContact O-N 2.85Å; A78-R81 PolarHBondContact O-N 3.42Å; A78-D82 WeakPolarHBondContact O-CB 3.48Å; A78-D82 PolarHBondContact O-N 3.43Å
79	W	43.1	Very low	42.7	Very low	140 Å²	140	86 Å²	86	53%	0.53	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-46	173.2	-176.3	95.1	0	0	0	112	S75 A76 E77 R81 R83	S75-W79 WeakPolarHBondContact O-CB 3.08Å; S75-W79 PolarHBondContact O-N 3.45Å; S75-W79 VanDerWaalsContact O-N 3.08Å; A76-W79 PolarHBondContact O-N 3.28Å; E77-W79 VanDerWaalsContact C-N 3.3Å; E77-W79 PolarHBondContact O-N 2.72Å; W79-R81 VanDerWaalsContact C-N 3.33Å; W79-R81 PolarHBondContact O-N 3.43Å; W79-R83 VanDerWaalsContact O-CB 3.27Å; W79-R83 WeakPolarHBondContact O-CB 3.3Å; W79-R83 PolarHBondContact O-N 3.14Å
80	I	43.9	Very low	43.7	Very low	63 Å²	63	88.3 Å²	88.3	32%	0.323	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-44.7	174.7	-68.8	169.5	0	0	0	110.1	T47 A76 E77 R83 W84	T47-I80 HydrophobicContact CG2-CD1 4.38Å; A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.49Å; A76-I80 PolarHBondContact O-N 3.02Å; E77-I80 PolarHBondContact O-N 3.19Å; I80-R83 PolarHBondContact O-N 2.92Å; I80-W84 WeakPolarHBondContact O-CB 3.42Å; I80-W84 PolarHBondContact O-N 3.45Å
81	R	44.7	Very low	44.1	Very low	172 Å²	172	87.7 Å²	87.7	65%	0.649	43%	0.427	S	S	*	.	H	α-helix	trans	-66.1	-45.7	-179.8	-179.1	179.4	160.2	-176.1	-5.2	112.4	E77 A78 W79 R83 W84 I85	E77-R81 WeakPolarHBondContact O-CB 3.37Å; E77-R81 PolarHBondContact O-N 2.86Å; A78-R81 PolarHBondContact O-N 3.42Å; W79-R81 VanDerWaalsContact C-N 3.33Å; W79-R81 PolarHBondContact O-N 3.43Å; R81-R83 VanDerWaalsContact C-N 3.28Å; R81-R83 PolarHBondContact O-N 3.3Å; R81-W84 PolarHBondContact O-N 2.94Å; R81-I85 HydrophobicContact CG-CD1 3.76Å; R81-I85 HydrophobicContact CG-CG1 4.37Å; R81-I85 WeakPolarHBondContact O-CB 3.1Å; R81-I85 VanDerWaalsContact O-CG1 3.27Å; R81-I85 WeakPolarHBondContact O-CG1 3.28Å; R81-I85 PolarHBondContact O-N 2.91Å
82	D	47.4	Very low	44.4	Very low	111 Å²	111	90.3 Å²	90.3	59%	0.594	45%	0.452	S	S	*	.	H	α-helix	trans	-60.9	-40.7	175.8	-91	10.9	0	0	0	110.6	A78 F86	A78-D82 WeakPolarHBondContact O-CB 3.48Å; A78-D82 PolarHBondContact O-N 3.43Å; D82-F86 WeakPolarHBondContact O-CB 3.5Å; D82-F86 PolarHBondContact O-N 2.8Å
83	R	47.1	Very low	44.6	Very low	94 Å²	94	97 Å²	97	36%	0.355	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-37.7	176.7	-158.3	79.9	170.6	145.5	1.5	112	L38 W79 I80 R81 R87	L38-R83 HydrophobicContact CD1-CB 4.44Å; L38-R83 HydrophobicContact CD1-CG 3.71Å; W79-R83 VanDerWaalsContact O-CB 3.27Å; W79-R83 WeakPolarHBondContact O-CB 3.3Å; W79-R83 PolarHBondContact O-N 3.14Å; I80-R83 PolarHBondContact O-N 2.92Å; R81-R83 VanDerWaalsContact C-N 3.28Å; R81-R83 PolarHBondContact O-N 3.3Å; R83-R87 PolarHBondContact O-N 3.14Å
84	W	38.4	Very low	44.4	Very low	110 Å²	110	99.6 Å²	99.6	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-49.9	175.9	-169	95.3	0	0	0	111.1	L34 I80 R81 F86 R87 E88	L34-W84 HydrophobicContact CD2-CB 3.67Å; L34-W84 HydrophobicContact CD2-CG 3.84Å; I80-W84 WeakPolarHBondContact O-CB 3.42Å; I80-W84 PolarHBondContact O-N 3.45Å; R81-W84 PolarHBondContact O-N 2.94Å; W84-F86 VanDerWaalsContact C-N 3.29Å; W84-F86 PolarHBondContact O-N 2.69Å; W84-R87 CarbonylContact O-C 3.59Å; W84-R87 PolarHBondContact O-N 3.36Å; W84-E88 HydrophobicContact CD2-CG 4.15Å; W84-E88 HydrophobicContact CE3-CG 4.12Å; W84-E88 HydrophobicContact CH2-CG 4.27Å; W84-E88 WeakPolarHBondContact CH2-OE1 3.4Å; W84-E88 WeakPolarHBondContact CH2-OE2 3.25Å; W84-E88 HydrophobicContact CZ2-CG 4.29Å; W84-E88 WeakPolarHBondContact CZ2-OE1 3.12Å; W84-E88 HydrophobicContact CZ3-CG 4.18Å; W84-E88 WeakPolarHBondContact CZ3-OE2 3.31Å; W84-E88 PolarHBondContact O-N 3Å
85	I	47.5	Very low	44.2	Very low	61 Å²	61	99.8 Å²	99.8	31%	0.313	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-41.3	175	-67.7	169.7	0	0	0	110.7	R81 E88 N89	R81-I85 HydrophobicContact CG-CD1 3.76Å; R81-I85 HydrophobicContact CG-CG1 4.37Å; R81-I85 WeakPolarHBondContact O-CB 3.1Å; R81-I85 VanDerWaalsContact O-CG1 3.27Å; R81-I85 WeakPolarHBondContact O-CG1 3.28Å; R81-I85 PolarHBondContact O-N 2.91Å; I85-E88 PolarHBondContact O-N 3.29Å; I85-N89 WeakPolarHBondContact O-CB 3.45Å; I85-N89 PolarHBondContact O-N 3.04Å; I85-N89 PolarHBondContact O-ND2 2.95Å
86	F	44.7	Very low	43.9	Very low	111 Å²	111	105.8 Å²	105.8	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.1	-175.8	-90.1	0	0	0	111.5	D82 W84 N90	D82-F86 WeakPolarHBondContact O-CB 3.5Å; D82-F86 PolarHBondContact O-N 2.8Å; W84-F86 VanDerWaalsContact C-N 3.29Å; W84-F86 PolarHBondContact O-N 2.69Å; F86-N90 VanDerWaalsContact O-CB 3.28Å; F86-N90 WeakPolarHBondContact O-CB 2.96Å; F86-N90 PolarHBondContact O-N 3.07Å; F86-N90 VanDerWaalsContact O-N 3.12Å; F86-N90 PolarHBondContact O-ND2 3.13Å
87	R	44.1	Very low	43.5	Very low	107 Å²	107	113.1 Å²	113.1	40%	0.404	56%	0.558	S	S	.	*	H	α-helix	trans	-64.7	-46.6	176.1	-175.4	-175.1	174.9	171.8	0.5	111.2	D37 R83 W84 N90 S91	D37-R87 IonicContact OD2-NH1 3.47Å; D37-R87 PolarHBondContact OD2-NH1 3.21Å; D37-R87 IonicContact OD2-NH2 3.97Å; R83-R87 PolarHBondContact O-N 3.14Å; W84-R87 CarbonylContact O-C 3.59Å; W84-R87 PolarHBondContact O-N 3.36Å; R87-N90 CarbonylContact O-C 3.45Å; R87-N90 PolarHBondContact O-N 3.37Å; R87-S91 VanDerWaalsContact O-CA 3.28Å; R87-S91 WeakPolarHBondContact O-CA 3.34Å; R87-S91 WeakPolarHBondContact O-CB 2.81Å; R87-S91 PolarHBondContact O-N 3.03Å
88	E	52.6	Low	43	Very low	104 Å²	104	113.6 Å²	113.6	49%	0.486	57%	0.568	S	S	.	*	H	α-helix	trans	-59.9	-48.6	179.6	-74	-158.8	137.9	0	0	112.1	W84 I85 N90 S91	W84-E88 HydrophobicContact CD2-CG 4.15Å; W84-E88 HydrophobicContact CE3-CG 4.12Å; W84-E88 HydrophobicContact CH2-CG 4.27Å; W84-E88 WeakPolarHBondContact CH2-OE1 3.4Å; W84-E88 WeakPolarHBondContact CH2-OE2 3.25Å; W84-E88 HydrophobicContact CZ2-CG 4.29Å; W84-E88 WeakPolarHBondContact CZ2-OE1 3.12Å; W84-E88 HydrophobicContact CZ3-CG 4.18Å; W84-E88 WeakPolarHBondContact CZ3-OE2 3.31Å; W84-E88 PolarHBondContact O-N 3Å; I85-E88 PolarHBondContact O-N 3.29Å; E88-N90 PolarHBondContact O-N 3.04Å; E88-S91 WeakPolarHBondContact O-CB 3.12Å; E88-S91 PolarHBondContact O-N 3.34Å
89	N	53.9	Low	42.5	Very low	126 Å²	126	117.4 Å²	117.4	67%	0.674	58%	0.583	S	S	*	*	H	α-helix	trans	-68.4	-19.8	179.9	-73.5	-24.2	0	0	0	113.4	I85	I85-N89 WeakPolarHBondContact O-CB 3.45Å; I85-N89 PolarHBondContact O-N 3.04Å; I85-N89 PolarHBondContact O-ND2 2.95Å
90	N	55.9	Low	41.6	Very low	71 Å²	71	115.8 Å²	115.8	38%	0.38	59%	0.59	S	S	.	*	H	α-helix	trans	-110.8	2.5	178.6	-65.8	-79.8	0	0	0	113.5	F86 R87 E88 A92 K93	F86-N90 VanDerWaalsContact O-CB 3.28Å; F86-N90 WeakPolarHBondContact O-CB 2.96Å; F86-N90 PolarHBondContact O-N 3.07Å; F86-N90 VanDerWaalsContact O-N 3.12Å; F86-N90 PolarHBondContact O-ND2 3.13Å; R87-N90 CarbonylContact O-C 3.45Å; R87-N90 PolarHBondContact O-N 3.37Å; E88-N90 PolarHBondContact O-N 3.04Å; N90-A92 PolarHBondContact O-N 3.04Å; N90-K93 PolarHBondContact O-N 3.45Å
91	S	48.4	Very low	41	Very low	86 Å²	86	119.5 Å²	119.5	60%	0.601	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-23.4	-174.1	177.8	0	0	0	0	113.4	R87 E88 K93	R87-S91 VanDerWaalsContact O-CA 3.28Å; R87-S91 WeakPolarHBondContact O-CA 3.34Å; R87-S91 WeakPolarHBondContact O-CB 2.81Å; R87-S91 PolarHBondContact O-N 3.03Å; E88-S91 WeakPolarHBondContact O-CB 3.12Å; E88-S91 PolarHBondContact O-N 3.34Å; S91-K93 PolarHBondContact O-N 2.84Å
92	A	44.5	Very low	40.1	Very low	108 Å²	108	119.2 Å²	119.2	89%	0.893	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-12.5	172.5	0	0	0	0	0	113.7	N90 S94	N90-A92 PolarHBondContact O-N 3.04Å; A92-S94 PolarHBondContact O-N 3.42Å
93	K	43	Very low	39.1	Very low	179 Å²	179	124.4 Å²	124.4	78%	0.778	63%	0.631	S	S	*	*	S	Bend	trans	-96.5	87	170	-81.8	-178.8	177	176	0	108.9	N90 S91 M95	N90-K93 PolarHBondContact O-N 3.45Å; S91-K93 PolarHBondContact O-N 2.84Å; K93-M95 PolarHBondContact O-N 3.08Å
94	S	36.4	Very low	38	Very low	108 Å²	108	123.2 Å²	123.2	76%	0.755	65%	0.648	S	S	*	*			trans	-32.6	128.8	166.3	180	0	0	0	0	111.9	A92 E96	A92-S94 PolarHBondContact O-N 3.42Å; S94-E96 PolarHBondContact O-N 3.38Å; S94-E96 VanDerWaalsContact O-N 3.1Å
95	M	33.3	Very low	37.7	Very low	132 Å²	132	124 Å²	124	65%	0.65	66%	0.659	S	S	*	*			trans	-57.9	102.3	177.6	-62.3	150.2	57.9	0	0	110.8	K93	K93-M95 PolarHBondContact O-N 3.08Å
96	E	33.3	Very low	37	Very low	179 Å²	179	131 Å²	131	84%	0.836	68%	0.682	S	S	*	*			trans	-110.1	100.7	144.7	-73.9	-169	164.8	0	0	105.5	S94 T98	S94-E96 PolarHBondContact O-N 3.38Å; S94-E96 VanDerWaalsContact O-N 3.1Å; E96-T98 VanDerWaalsContact C-N 3.26Å; E96-T98 PolarHBondContact O-N 3.47Å
97	H	31.1	Very low	36.8	Very low	172 Å²	172	126.9 Å²	126.9	80%	0.796	67%	0.667	S	S	*	*			trans	-80.6	53.4	-142.7	-143.4	-170.3	0	0	0	114
98	T	27.1	Very low	36.7	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	67%	0.672	S	S	*	*			trans	-108.4	97.3	167.1	47.3	0	0	0	0	107.6	E96 P100	E96-T98 VanDerWaalsContact C-N 3.26Å; E96-T98 PolarHBondContact O-N 3.47Å; T98-P100 WeakPolarHBondContact O-CD 3.13Å
99	L	31.5	Very low	36.7	Very low	116 Å²	116	122.3 Å²	122.3	61%	0.607	66%	0.658	S	S	*	*			trans	-65.9	110.5	148.9	-77.6	167.4	0	0	0	103.5	L101	L99-L101 PolarHBondContact O-N 2.93Å
100	P	25.2	Very low	36.6	Very low	105 Å²	105	118.6 Å²	118.6	68%	0.682	65%	0.649	S	S	*	*			trans	-54.3	118.5	162.7	26.2	-30.8	0	0	0	103.5	T98 K102	T98-P100 WeakPolarHBondContact O-CD 3.13Å; P100-K102 PolarHBondContact O-N 3.03Å
101	L	30.2	Very low	36.2	Very low	142 Å²	142	116.7 Å²	116.7	74%	0.743	64%	0.64	S	S	*	*			trans	-46.3	104.2	156.6	-81.1	165.7	0	0	0	102.6	L99 K103	L99-L101 PolarHBondContact O-N 2.93Å; L101-K103 VanDerWaalsContact C-N 3.26Å; L101-K103 PolarHBondContact O-N 3.18Å
102	K	27.6	Very low	35.8	Very low	165 Å²	165	115.3 Å²	115.3	72%	0.717	63%	0.629	S	S	*	*			trans	-51.2	107.8	174.3	-125.2	-177.4	-177.6	-175.4	0	101.5	P100 G104 L105	P100-K102 PolarHBondContact O-N 3.03Å; K102-G104 CarbonylContact O-C 3.42Å; K102-G104 WeakPolarHBondContact O-CA 3.19Å; K102-G104 PolarHBondContact O-N 2.79Å; K102-L105 HydrophobicContact CB-CD1 3.29Å; K102-L105 HydrophobicContact CD-CD1 4.47Å; K102-L105 HydrophobicContact CG-CD1 4.5Å; K102-L105 PolarHBondContact O-N 3.23Å
103	K	25.7	Very low	35.8	Very low	221 Å²	221	112.8 Å²	112.8	96%	0.961	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	97.1	-175.5	-98.8	178.6	170.4	177.1	0	104.8	L101	L101-K103 VanDerWaalsContact C-N 3.26Å; L101-K103 PolarHBondContact O-N 3.18Å
104	G	24.4	Very low	36	Very low	69 Å²	69	111.5 Å²	111.5	71%	0.711	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.7	-15.8	-159.7	0	0	0	0	0	117.1	K102 R106	K102-G104 CarbonylContact O-C 3.42Å; K102-G104 WeakPolarHBondContact O-CA 3.19Å; K102-G104 PolarHBondContact O-N 2.79Å; G104-R106 PolarHBondContact O-N 2.87Å
105	L	31.1	Very low	36.5	Very low	125 Å²	125	111.3 Å²	111.3	65%	0.654	59%	0.59	S	S	*	*			trans	-70.5	77.2	169.2	-94	92.2	0	0	0	109.8	K102	K102-L105 HydrophobicContact CB-CD1 3.29Å; K102-L105 HydrophobicContact CD-CD1 4.47Å; K102-L105 HydrophobicContact CG-CD1 4.5Å; K102-L105 PolarHBondContact O-N 3.23Å
106	R	33.6	Very low	37.9	Very low	209 Å²	209	106.6 Å²	106.6	79%	0.789	57%	0.568	S	S	*	*			trans	-70.6	149.7	154.4	-67.2	-177.5	-176.5	-168.2	0.1	107	G104	G104-R106 PolarHBondContact O-N 2.87Å
107	S	40.2	Very low	39.2	Very low	25 Å²	25	98.7 Å²	98.7	18%	0.175	53%	0.533	C	S	.	.			trans	-54.1	153	163.1	70.4	0	0	0	0	108.1	I109 G110 T111	S107-I109 PolarHBondContact O-N 3.2Å; S107-I109 PolarHBondContact OG-N 2.79Å; S107-G110 PolarHBondContact O-N 3.18Å; S107-G110 PolarHBondContact OG-N 2.83Å; S107-G110 VanDerWaalsContact OG-N 3.14Å; S107-T111 WeakPolarHBondContact CB-O 3.48Å; S107-T111 PolarHBondContact OG-N 3.39Å; S107-T111 PolarHBondContact OG-O 3.25Å; S107-T111 PolarHBondContact OG-OG1 3.1Å
108	P	42.5	Very low	40.9	Very low	79 Å²	79	90.6 Å²	90.6	51%	0.513	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.1	174.5	-31.7	41.8	0	0	0	112.9	L121 Y128	P108-L121 HydrophobicContact CB-CD1 3.72Å; P108-Y128 HydrophobicContact CB-CD1 4.41Å; P108-Y128 HydrophobicContact CB-CE1 3.91Å; P108-Y128 HydrophobicContact CB-CE2 4.34Å; P108-Y128 HydrophobicContact CG-CD1 4.15Å; P108-Y128 HydrophobicContact CG-CE1 3.47Å; P108-Y128 VanDerWaalsContact CG-CE1 3.47Å
109	I	51.8	Low	42.6	Very low	35 Å²	35	87.8 Å²	87.8	18%	0.179	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.1	177.7	-40	163.9	0	0	0	112.8	S107 T111 H119 Y128	S107-I109 PolarHBondContact O-N 3.2Å; S107-I109 PolarHBondContact OG-N 2.79Å; I109-T111 HydrophobicContact CG2-CG2 4.32Å; I109-T111 PolarHBondContact O-N 2.79Å; I109-H119 HydrophobicContact CD1-CB 3.94Å; I109-H119 HydrophobicContact CG1-CB 4.17Å; I109-H119 HydrophobicContact CG2-CB 3.98Å; I109-H119 WeakPolarHBondContact CG2-CD2 3.39Å; I109-Y128 HydrophobicContact CD1-CG 4.14Å; I109-Y128 HydrophobicContact CG1-CG 4.15Å
110	G	51.9	Low	44.2	Very low	48 Å²	48	83.9 Å²	83.9	50%	0.495	45%	0.451	S	S	.	.	S	Bend	trans	75.5	-3	-176.6	0	0	0	0	0	115.2	S107	S107-G110 PolarHBondContact O-N 3.18Å; S107-G110 PolarHBondContact OG-N 2.83Å; S107-G110 VanDerWaalsContact OG-N 3.14Å
111	T	46.6	Very low	46	Very low	31 Å²	31	80.8 Å²	80.8	19%	0.19	43%	0.429	C	S	.	.	S	Bend	trans	-92.3	145.6	177.6	65.4	0	0	0	0	112.5	S107 I109 T117 N130	S107-T111 WeakPolarHBondContact CB-O 3.48Å; S107-T111 PolarHBondContact OG-N 3.39Å; S107-T111 PolarHBondContact OG-O 3.25Å; S107-T111 PolarHBondContact OG-OG1 3.1Å; I109-T111 HydrophobicContact CG2-CG2 4.32Å; I109-T111 PolarHBondContact O-N 2.79Å; T111-T117 HydrophobicContact CG2-CG2 3.95Å; T111-T117 VanDerWaalsContact OG1-CG2 3.27Å; T111-T117 WeakPolarHBondContact OG1-CG2 3.37Å; T111-N130 PolarHBondContact OG1-ND2 3.02Å
112	P	41.5	Very low	47.8	Very low	57 Å²	57	79 Å²	79	37%	0.37	42%	0.424	S	S	.	.			trans	-59.6	145.5	171.6	-20	31.3	0	0	0	112.4	F114 H115 N130	P112-F114 HydrophobicContact CB-CD1 3.64Å; P112-F114 HydrophobicContact CB-CD2 4.47Å; P112-F114 HydrophobicContact CB-CE1 3.2Å; P112-F114 HydrophobicContact CB-CE2 4.09Å; P112-F114 HydrophobicContact CB-CG 4.26Å; P112-F114 HydrophobicContact CB-CZ 3.45Å; P112-F114 VanDerWaalsContact CB-CZ 3.45Å; P112-F114 HydrophobicContact CG-CE1 4Å; P112-F114 HydrophobicContact CG-CE2 4.46Å; P112-F114 HydrophobicContact CG-CZ 3.79Å; P112-F114 PolarHBondContact O-N 3.32Å; P112-F114 VanDerWaalsContact O-N 3.14Å; P112-H115 WeakPolarHBondContact O-CB 3.29Å; P112-H115 PolarHBondContact O-N 2.8Å; P112-N130 PolarHBondContact O-ND2 3.39Å
113	A	43.3	Very low	49.6	Very low	56 Å²	56	79.3 Å²	79.3	46%	0.463	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.5	-176.9	0	0	0	0	0	114.5	H115 N130 S131 G132	A113-H115 VanDerWaalsContact C-N 3.33Å; A113-N130 WeakPolarHBondContact O-CB 3.29Å; A113-S131 PolarHBondContact O-N 3.45Å; A113-S131 PolarHBondContact O-OG 3.04Å; A113-G132 PolarHBondContact O-N 2.85Å; A113-G132 VanDerWaalsContact O-N 3.13Å
114	F	47.6	Very low	51.4	Low	152 Å²	152	73.4 Å²	73.4	67%	0.667	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.8	175.9	62.7	-100.1	0	0	0	113.2	P112	P112-F114 HydrophobicContact CB-CD1 3.64Å; P112-F114 HydrophobicContact CB-CD2 4.47Å; P112-F114 HydrophobicContact CB-CE1 3.2Å; P112-F114 HydrophobicContact CB-CE2 4.09Å; P112-F114 HydrophobicContact CB-CG 4.26Å; P112-F114 HydrophobicContact CB-CZ 3.45Å; P112-F114 VanDerWaalsContact CB-CZ 3.45Å; P112-F114 HydrophobicContact CG-CE1 4Å; P112-F114 HydrophobicContact CG-CE2 4.46Å; P112-F114 HydrophobicContact CG-CZ 3.79Å; P112-F114 PolarHBondContact O-N 3.32Å; P112-F114 VanDerWaalsContact O-N 3.14Å
115	H	48.1	Very low	53.1	Low	104 Å²	104	72.6 Å²	72.6	48%	0.481	39%	0.389	S	S	.	.	S	Bend	trans	-70.7	137.3	172.7	-101.4	176.8	0	0	0	110.2	P112 A113 T117 N130	P112-H115 WeakPolarHBondContact O-CB 3.29Å; P112-H115 PolarHBondContact O-N 2.8Å; A113-H115 VanDerWaalsContact C-N 3.33Å; H115-T117 VanDerWaalsContact C-N 3.26Å; H115-T117 PolarHBondContact O-N 3.26Å; H115-N130 WeakPolarHBondContact O-CB 3.46Å; H115-N130 PolarHBondContact O-ND2 3.18Å
116	V	61.5	Low	54.4	Low	32 Å²	32	72.2 Å²	72.2	19%	0.194	38%	0.379	C	S	.	.			trans	-73.8	82.1	172.4	-168.3	0	0	0	0	108.1	G132 F138	V116-G132 WeakPolarHBondContact CG2-O 3.28Å; V116-F138 HydrophobicContact CG1-CD2 4.48Å; V116-F138 HydrophobicContact CG1-CE2 3.97Å
117	T	61.1	Low	55.9	Low	14 Å²	14	65.2 Å²	65.2	9%	0.086	36%	0.356	C	S	.	.			trans	-143.2	149	175.2	-156	0	0	0	0	113.1	T111 H115 H119 N130 H133	T111-T117 HydrophobicContact CG2-CG2 3.95Å; T111-T117 VanDerWaalsContact OG1-CG2 3.27Å; T111-T117 WeakPolarHBondContact OG1-CG2 3.37Å; H115-T117 VanDerWaalsContact C-N 3.26Å; H115-T117 PolarHBondContact O-N 3.26Å; T117-H119 PolarHBondContact OG1-CD2 2.94Å; T117-H119 VanDerWaalsContact OG1-CD2 3.29Å; T117-H119 PolarHBondContact OG1-NE2 2.81Å; T117-N130 WeakPolarHBondContact CG2-ND2 3.3Å; T117-N130 VanDerWaalsContact O-CB 3.32Å; T117-N130 WeakPolarHBondContact O-CB 3.22Å; T117-N130 PolarHBondContact O-N 3.33Å; T117-H133 PolarHBondContact N-CE1 3.41Å; T117-H133 PolarHBondContact O-CE1 3.01Å; T117-H133 PolarHBondContact O-ND1 2.94Å
118	A	66.3	Low	57	Low	1 Å²	1	66.5 Å²	66.5	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	177.8	0	0	0	0	0	106.7	Y128 L129 H133 I155 E159	A118-Y128 CarbonylContact C-O 2.94Å; A118-Y128 WeakPolarHBondContact CA-O 3.14Å; A118-L129 HydrophobicContact CB-CD1 3.96Å; A118-H133 PolarHBondContact N-CE1 2.76Å; A118-I155 HydrophobicContact CB-CG2 3.6Å; A118-E159 HydrophobicContact CB-CG 3.88Å; A118-E159 WeakPolarHBondContact CB-OE1 3.2Å
119	H	62.5	Low	58.1	Low	58 Å²	58	65 Å²	65	27%	0.269	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	136.3	177	-64	-87.9	0	0	0	111.1	I109 T117 Y128 E159	I109-H119 HydrophobicContact CD1-CB 3.94Å; I109-H119 HydrophobicContact CG1-CB 4.17Å; I109-H119 HydrophobicContact CG2-CB 3.98Å; I109-H119 WeakPolarHBondContact CG2-CD2 3.39Å; T117-H119 PolarHBondContact OG1-CD2 2.94Å; T117-H119 VanDerWaalsContact OG1-CD2 3.29Å; T117-H119 PolarHBondContact OG1-NE2 2.81Å; H119-Y128 PolarHBondContact N-O 3.46Å; H119-Y128 PolarHBondContact O-N 3.31Å; H119-E159 WeakPolarHBondContact CA-OE2 3.22Å
120	Y	65.8	Low	58.6	Low	34 Å²	34	63.9 Å²	63.9	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.7	159.6	177.2	-107.7	0	0	0	110.7	T122 N125 R126 I127 E159 H162 A163	Y120-T122 VanDerWaalsContact CE1-CA 3.46Å; Y120-T122 HydrophobicContact CE1-CG2 4.29Å; Y120-N125 WeakPolarHBondContact CE2-OD1 3.46Å; Y120-N125 PolarHBondContact OH-OD1 2.72Å; Y120-N125 VanDerWaalsContact OH-OD1 3.07Å; Y120-R126 WeakPolarHBondContact CA-O 3.45Å; Y120-I127 HydrophobicContact CD2-CG1 4.09Å; Y120-E159 WeakPolarHBondContact CB-O 3.19Å; Y120-E159 PolarHBondContact N-OE2 2.69Å; Y120-H162 HydrophobicContact CD1-CB 3.89Å; Y120-H162 HydrophobicContact CG-CB 4.1Å; Y120-A163 HydrophobicContact CD1-CB 4.22Å; Y120-A163 HydrophobicContact CD2-CB 3.86Å; Y120-A163 VanDerWaalsContact CE1-CA 3.42Å; Y120-A163 HydrophobicContact CE1-CB 3.8Å; Y120-A163 HydrophobicContact CE2-CB 3.4Å; Y120-A163 VanDerWaalsContact CE2-CB 3.4Å; Y120-A163 HydrophobicContact CG-CB 4.23Å
121	L	63.6	Low	58.8	Low	40 Å²	40	64.7 Å²	64.7	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.6	168.5	-67.5	-172.6	0	0	0	109.3	P108 D123 E124 N125 R126 Y128	P108-L121 HydrophobicContact CB-CD1 3.72Å; L121-D123 VanDerWaalsContact C-N 3.28Å; L121-D123 PolarHBondContact O-N 3.15Å; L121-E124 HydrophobicContact CB-CB 4.36Å; L121-E124 PolarHBondContact O-N 3.31Å; L121-N125 WeakPolarHBondContact O-CA 3.3Å; L121-N125 PolarHBondContact O-N 2.86Å; L121-R126 PolarHBondContact N-O 2.99Å; L121-R126 PolarHBondContact O-N 3.41Å; L121-Y128 HydrophobicContact CB-CD2 4.42Å; L121-Y128 HydrophobicContact CB-CE2 4.18Å; L121-Y128 HydrophobicContact CD1-CD2 3.8Å; L121-Y128 HydrophobicContact CD1-CE2 3.39Å; L121-Y128 HydrophobicContact CG-CD2 3.78Å; L121-Y128 HydrophobicContact CG-CE2 3.76Å
122	T	66.9	Low	58.9	Low	105 Å²	105	63.4 Å²	63.4	64%	0.644	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.8	179.7	-50	0	0	0	0	112.7	Y120 E124 N125	Y120-T122 VanDerWaalsContact CE1-CA 3.46Å; Y120-T122 HydrophobicContact CE1-CG2 4.29Å; T122-E124 VanDerWaalsContact C-N 3.27Å; T122-E124 PolarHBondContact O-N 3.4Å; T122-N125 PolarHBondContact O-N 2.97Å
123	D	66.2	Low	59.8	Low	170 Å²	170	60.7 Å²	60.7	91%	0.909	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.2	-177.3	-64.1	-20.5	0	0	0	112.9	L121	L121-D123 VanDerWaalsContact C-N 3.28Å; L121-D123 PolarHBondContact O-N 3.15Å
124	E	62.1	Low	60.9	Low	97 Å²	97	60.5 Å²	60.5	45%	0.453	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-8.2	-176.9	-58.8	-171.3	-172.4	0	0	113	L121 T122 R126 Y128	L121-E124 HydrophobicContact CB-CB 4.36Å; L121-E124 PolarHBondContact O-N 3.31Å; T122-E124 VanDerWaalsContact C-N 3.27Å; T122-E124 PolarHBondContact O-N 3.4Å; E124-R126 VanDerWaalsContact C-N 3.28Å; E124-R126 HydrophobicContact CB-CB 4.18Å; E124-R126 HydrophobicContact CB-CG 4.17Å; E124-R126 WeakPolarHBondContact O-CG 3.41Å; E124-R126 PolarHBondContact O-N 2.69Å; E124-Y128 PolarHBondContact OE2-OH 3.32Å
125	N	61.1	Low	61.5	Low	52 Å²	52	56.9 Å²	56.9	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.1	-168.8	-168.8	11.8	0	0	0	112	P70 Y120 L121 T122	P70-N125 WeakPolarHBondContact CD-ND2 3.32Å; Y120-N125 WeakPolarHBondContact CE2-OD1 3.46Å; Y120-N125 PolarHBondContact OH-OD1 2.72Å; Y120-N125 VanDerWaalsContact OH-OD1 3.07Å; L121-N125 WeakPolarHBondContact O-CA 3.3Å; L121-N125 PolarHBondContact O-N 2.86Å; T122-N125 PolarHBondContact O-N 2.97Å
126	R	58.8	Low	62.4	Low	118 Å²	118	55.8 Å²	55.8	45%	0.445	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137	-174.5	-77.1	172.8	-163.7	-96.3	-0.9	111.2	Y120 L121 E124 Y128	Y120-R126 WeakPolarHBondContact CA-O 3.45Å; L121-R126 PolarHBondContact N-O 2.99Å; L121-R126 PolarHBondContact O-N 3.41Å; E124-R126 VanDerWaalsContact C-N 3.28Å; E124-R126 HydrophobicContact CB-CB 4.18Å; E124-R126 HydrophobicContact CB-CG 4.17Å; E124-R126 WeakPolarHBondContact O-CG 3.41Å; E124-R126 PolarHBondContact O-N 2.69Å; R126-Y128 HydrophobicContact CB-CD2 4.3Å; R126-Y128 HydrophobicContact CB-CE2 3.57Å
127	I	64.9	Low	62.8	Low	61 Å²	61	57.6 Å²	57.6	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126	170.6	-61.7	170.8	0	0	0	108.4	Y120 I156 E159 I160	Y120-I127 HydrophobicContact CD2-CG1 4.09Å; I127-I156 HydrophobicContact CD1-CG2 4.41Å; I127-E159 HydrophobicContact CB-CB 4.29Å; I127-E159 HydrophobicContact CD1-CB 3.87Å; I127-E159 HydrophobicContact CG1-CB 3.79Å; I127-E159 HydrophobicContact CG2-CB 3.58Å; I127-E159 HydrophobicContact CG2-CG 3.83Å; I127-I160 HydrophobicContact CD1-CG1 3.59Å
128	Y	63.5	Low	62.6	Low	52 Å²	52	57.2 Å²	57.2	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	174.4	-72.7	-90	0	0	0	109.4	P108 I109 A118 H119 L121 E124 R126	P108-Y128 HydrophobicContact CB-CD1 4.41Å; P108-Y128 HydrophobicContact CB-CE1 3.91Å; P108-Y128 HydrophobicContact CB-CE2 4.34Å; P108-Y128 HydrophobicContact CG-CD1 4.15Å; P108-Y128 HydrophobicContact CG-CE1 3.47Å; P108-Y128 VanDerWaalsContact CG-CE1 3.47Å; I109-Y128 HydrophobicContact CD1-CG 4.14Å; I109-Y128 HydrophobicContact CG1-CG 4.15Å; A118-Y128 CarbonylContact C-O 2.94Å; A118-Y128 WeakPolarHBondContact CA-O 3.14Å; H119-Y128 PolarHBondContact N-O 3.46Å; H119-Y128 PolarHBondContact O-N 3.31Å; L121-Y128 HydrophobicContact CB-CD2 4.42Å; L121-Y128 HydrophobicContact CB-CE2 4.18Å; L121-Y128 HydrophobicContact CD1-CD2 3.8Å; L121-Y128 HydrophobicContact CD1-CE2 3.39Å; L121-Y128 HydrophobicContact CG-CD2 3.78Å; L121-Y128 HydrophobicContact CG-CE2 3.76Å; E124-Y128 PolarHBondContact OE2-OH 3.32Å; R126-Y128 HydrophobicContact CB-CD2 4.3Å; R126-Y128 HydrophobicContact CB-CE2 3.57Å
129	L	66	Low	62.4	Low	48 Å²	48	57.5 Å²	57.5	25%	0.251	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.3	170.9	-170.7	77.8	0	0	0	108.6	A118 H133 L152 I155	A118-L129 HydrophobicContact CB-CD1 3.96Å; L129-H133 HydrophobicContact CD1-CB 3.97Å; L129-H133 VanDerWaalsContact CD1-ND1 3.29Å; L129-H133 WeakPolarHBondContact CD1-ND1 3.12Å; L129-H133 HydrophobicContact CD2-CB 4.3Å; L129-H133 HydrophobicContact CG-CB 4.07Å; L129-L152 HydrophobicContact CD2-CD2 4.18Å; L129-I155 HydrophobicContact CD1-CG2 3.55Å
130	N	60.5	Low	62.4	Low	12 Å²	12	59.5 Å²	59.5	6%	0.064	31%	0.307	C	S	.	.			trans	-71.2	152.2	176.3	-76.9	-7	0	0	0	111.8	T111 P112 A113 H115 T117 G132 H133	T111-N130 PolarHBondContact OG1-ND2 3.02Å; P112-N130 PolarHBondContact O-ND2 3.39Å; A113-N130 WeakPolarHBondContact O-CB 3.29Å; H115-N130 WeakPolarHBondContact O-CB 3.46Å; H115-N130 PolarHBondContact O-ND2 3.18Å; T117-N130 WeakPolarHBondContact CG2-ND2 3.3Å; T117-N130 VanDerWaalsContact O-CB 3.32Å; T117-N130 WeakPolarHBondContact O-CB 3.22Å; T117-N130 PolarHBondContact O-N 3.33Å; N130-G132 PolarHBondContact O-N 3.2Å; N130-H133 PolarHBondContact O-N 3.49Å
131	S	57.6	Low	62.3	Low	64 Å²	64	63 Å²	63	45%	0.448	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.9	-16.5	177.4	59.5	0	0	0	0	114.3	A113 H133 L134	A113-S131 PolarHBondContact O-N 3.45Å; A113-S131 PolarHBondContact O-OG 3.04Å; S131-H133 PolarHBondContact O-N 3.47Å; S131-L134 VanDerWaalsContact O-CB 3.3Å; S131-L134 WeakPolarHBondContact O-CB 3.21Å; S131-L134 WeakPolarHBondContact O-CG 3.43Å; S131-L134 PolarHBondContact O-N 2.89Å
132	G	48	Very low	62.7	Low	4 Å²	4	68.2 Å²	68.2	4%	0.041	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.8	-21.1	170.9	0	0	0	0	0	113.9	A113 V116 N130 L134 Q135	A113-G132 PolarHBondContact O-N 2.85Å; A113-G132 VanDerWaalsContact O-N 3.13Å; V116-G132 WeakPolarHBondContact CG2-O 3.28Å; N130-G132 PolarHBondContact O-N 3.2Å; G132-L134 PolarHBondContact O-N 3.12Å; G132-Q135 VanDerWaalsContact O-CG 3.28Å; G132-Q135 WeakPolarHBondContact O-CG 3.27Å; G132-Q135 PolarHBondContact O-OE1 3.32Å
133	H	60.4	Low	62.5	Low	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-75.3	-7.1	172.7	-74.5	112	0	0	0	114	T117 A118 L129 N130 S131 Q135 F138 F170	T117-H133 PolarHBondContact N-CE1 3.41Å; T117-H133 PolarHBondContact O-CE1 3.01Å; T117-H133 PolarHBondContact O-ND1 2.94Å; A118-H133 PolarHBondContact N-CE1 2.76Å; L129-H133 HydrophobicContact CD1-CB 3.97Å; L129-H133 VanDerWaalsContact CD1-ND1 3.29Å; L129-H133 WeakPolarHBondContact CD1-ND1 3.12Å; L129-H133 HydrophobicContact CD2-CB 4.3Å; L129-H133 HydrophobicContact CG-CB 4.07Å; N130-H133 PolarHBondContact O-N 3.49Å; S131-H133 PolarHBondContact O-N 3.47Å; H133-Q135 PolarHBondContact O-N 2.83Å; H133-F138 VanDerWaalsContact O-CB 3.3Å; H133-F138 WeakPolarHBondContact O-CB 3.12Å; H133-F170 AromaticContact NE2-CZ 3.62Å
134	L	65.4	Low	62.6	Low	53 Å²	53	58.7 Å²	58.7	28%	0.277	31%	0.305	S	S	.	.	S	Bend	trans	-88.5	42.3	-176.1	-49.7	-172.7	0	0	0	111.8	L46 S131 G132 Y139	L46-L134 HydrophobicContact CD1-CD1 3.37Å; L46-L134 HydrophobicContact CD1-CD2 3.2Å; L46-L134 HydrophobicContact CD1-CG 3.83Å; L46-L134 HydrophobicContact CD2-CD2 3.6Å; L46-L134 HydrophobicContact CG-CD2 4.02Å; S131-L134 VanDerWaalsContact O-CB 3.3Å; S131-L134 WeakPolarHBondContact O-CB 3.21Å; S131-L134 WeakPolarHBondContact O-CG 3.43Å; S131-L134 PolarHBondContact O-N 2.89Å; G132-L134 PolarHBondContact O-N 3.12Å; L134-Y139 HydrophobicContact CB-CD1 4.27Å
135	Q	61.6	Low	62.5	Low	75 Å²	75	58.2 Å²	58.2	35%	0.35	31%	0.305	S	S	.	.	S	Bend	trans	-140.2	156.5	-179.8	69.3	-175.6	49.1	0	0	110.2	G132 H133 F138 Y139	G132-Q135 VanDerWaalsContact O-CG 3.28Å; G132-Q135 WeakPolarHBondContact O-CG 3.27Å; G132-Q135 PolarHBondContact O-OE1 3.32Å; H133-Q135 PolarHBondContact O-N 2.83Å; Q135-F138 WeakPolarHBondContact O-CB 3.26Å; Q135-F138 PolarHBondContact O-N 3.42Å; Q135-Y139 CarbonylContact C-O 3.54Å; Q135-Y139 VanDerWaalsContact CA-O 3.22Å; Q135-Y139 WeakPolarHBondContact CA-O 3.13Å; Q135-Y139 PolarHBondContact N-O 2.83Å; Q135-Y139 PolarHBondContact O-N 3.38Å
136	P	67.2	Low	62.3	Low	82 Å²	82	59.5 Å²	59.5	53%	0.532	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	144.4	170.2	-24.2	32.3	0	0	0	112.1	Y140	P136-Y140 HydrophobicContact CB-CD1 4.18Å; P136-Y140 HydrophobicContact CG-CD1 3.97Å; P136-Y140 HydrophobicContact CG-CG 4.19Å
137	P	68.7	Low	62.3	Low	69 Å²	69	56.2 Å²	56.2	45%	0.448	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.9	-1.2	2	34.6	-36.1	0	0	0	114.4	L177	P137-L177 HydrophobicContact CG-CD1 4.04Å
138	F	58.6	Low	62.3	Low	7 Å²	7	53.9 Å²	53.9	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-43.9	-170	-58.8	-70.8	0	0	0	113.9	V116 H133 Q135 A151 I155 F173 L177	V116-F138 HydrophobicContact CG1-CD2 4.48Å; V116-F138 HydrophobicContact CG1-CE2 3.97Å; H133-F138 VanDerWaalsContact O-CB 3.3Å; H133-F138 WeakPolarHBondContact O-CB 3.12Å; Q135-F138 WeakPolarHBondContact O-CB 3.26Å; Q135-F138 PolarHBondContact O-N 3.42Å; F138-A151 HydrophobicContact CD1-CB 4.31Å; F138-A151 WeakPolarHBondContact O-CB 3.33Å; F138-I155 HydrophobicContact CB-CD1 4.48Å; F138-I155 HydrophobicContact CD1-CD1 3.52Å; F138-I155 HydrophobicContact CD1-CG1 4.47Å; F138-I155 HydrophobicContact CE1-CD1 3.91Å; F138-I155 HydrophobicContact CG-CD1 4.15Å; F138-F173 AromaticContact CE1-CE1 3.89Å; F138-F173 HydrophobicContact CE1-CE1 3.89Å; F138-F173 HydrophobicContact CZ-CE1 4.12Å; F138-L177 HydrophobicContact CE1-CD1 3.95Å; F138-L177 HydrophobicContact CE2-CD1 4.27Å; F138-L177 HydrophobicContact CZ-CD1 3.5Å; F138-L177 VanDerWaalsContact CZ-CD1 3.5Å
139	Y	60.8	Low	62.1	Low	7 Å²	7	54.8 Å²	54.8	3%	0.027	31%	0.309	C	S	.	.			trans	-152.2	134.6	178.4	176.4	-90.7	0	0	0	110.7	S42 E45 L46 L134 Q135 K148 L152	S42-Y139 WeakPolarHBondContact CA-OH 3.47Å; S42-Y139 PolarHBondContact O-OH 3.21Å; E45-Y139 PolarHBondContact OE2-OH 2.73Å; L46-Y139 HydrophobicContact CD2-CD2 3.71Å; L46-Y139 HydrophobicContact CD2-CE2 3.94Å; L46-Y139 HydrophobicContact CD2-CG 4.07Å; L46-Y139 HydrophobicContact CG-CD2 4.33Å; L46-Y139 HydrophobicContact CG-CE2 4.07Å; L134-Y139 HydrophobicContact CB-CD1 4.27Å; Q135-Y139 CarbonylContact C-O 3.54Å; Q135-Y139 VanDerWaalsContact CA-O 3.22Å; Q135-Y139 WeakPolarHBondContact CA-O 3.13Å; Q135-Y139 PolarHBondContact N-O 2.83Å; Q135-Y139 PolarHBondContact O-N 3.38Å; Y139-K148 HydrophobicContact CD2-CD 4.16Å; Y139-K148 HydrophobicContact CD2-CG 4.23Å; Y139-K148 HydrophobicContact CE2-CD 3.93Å; Y139-L152 HydrophobicContact CD2-CD1 3.93Å
140	Y	63.3	Low	61.8	Low	99 Å²	99	54.6 Å²	54.6	39%	0.388	32%	0.319	S	S	.	.			trans	-151.7	148.6	164.5	53.8	-80.5	0	0	0	107.9	P136 N142 A143 K148	P136-Y140 HydrophobicContact CB-CD1 4.18Å; P136-Y140 HydrophobicContact CG-CD1 3.97Å; P136-Y140 HydrophobicContact CG-CG 4.19Å; Y140-N142 HydrophobicContact CD2-CB 4.33Å; Y140-N142 PolarHBondContact O-N 3.19Å; Y140-N142 VanDerWaalsContact O-N 3.15Å; Y140-A143 HydrophobicContact CD1-CB 3.81Å; Y140-A143 HydrophobicContact CD2-CB 3.77Å; Y140-A143 VanDerWaalsContact CD2-N 3.28Å; Y140-A143 HydrophobicContact CE1-CB 3.55Å; Y140-A143 HydrophobicContact CE2-CB 3.52Å; Y140-A143 HydrophobicContact CG-CB 3.9Å; Y140-A143 WeakPolarHBondContact O-CB 3.3Å; Y140-A143 PolarHBondContact O-N 2.88Å; Y140-K148 WeakPolarHBondContact O-CE 3.4Å
141	E	62.4	Low	61.9	Low	109 Å²	109	55.1 Å²	55.1	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-42.9	-171.4	-172.4	171.5	-166.7	0	0	112.3	A143 K148	E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.73Å; E141-K148 WeakPolarHBondContact O-CE 3.24Å; E141-K148 PolarHBondContact O-NZ 2.89Å
142	N	72.2	Confident	62.4	Low	148 Å²	148	52.3 Å²	52.3	79%	0.791	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	7.9	-177.4	-60.7	-32.7	0	0	0	114.8	Y140	Y140-N142 HydrophobicContact CD2-CB 4.33Å; Y140-N142 PolarHBondContact O-N 3.19Å; Y140-N142 VanDerWaalsContact O-N 3.15Å
143	A	62.4	Low	63.4	Low	11 Å²	11	52.7 Å²	52.7	9%	0.091	31%	0.308	C	S	.	.	S	Bend	trans	-67.4	145.4	177.3	0	0	0	0	0	110.7	Y140 E141 K148	Y140-A143 HydrophobicContact CD1-CB 3.81Å; Y140-A143 HydrophobicContact CD2-CB 3.77Å; Y140-A143 VanDerWaalsContact CD2-N 3.28Å; Y140-A143 HydrophobicContact CE1-CB 3.55Å; Y140-A143 HydrophobicContact CE2-CB 3.52Å; Y140-A143 HydrophobicContact CG-CB 3.9Å; Y140-A143 WeakPolarHBondContact O-CB 3.3Å; Y140-A143 PolarHBondContact O-N 2.88Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.73Å; A143-K148 HydrophobicContact CB-CD 4.49Å; A143-K148 HydrophobicContact CB-CG 3.78Å
144	S	68.4	Low	63.7	Low	65 Å²	65	57.7 Å²	57.7	46%	0.455	33%	0.327	S	S	.	.			trans	-59.7	147.3	169.2	67.8	0	0	0	0	109.5	A146 S147 K148	S144-A146 PolarHBondContact O-N 3.18Å; S144-S147 WeakPolarHBondContact O-CA 3.42Å; S144-S147 WeakPolarHBondContact O-CB 3.49Å; S144-S147 PolarHBondContact O-N 2.84Å; S144-S147 PolarHBondContact OG-N 3.34Å; S144-S147 PolarHBondContact OG-OG 3.36Å; S144-K148 PolarHBondContact O-N 2.8Å
145	L	59.9	Low	63.9	Low	86 Å²	86	55.1 Å²	55.1	45%	0.45	31%	0.314	S	S	.	.	H	α-helix	trans	-52.4	-41.1	174.5	-70.8	175.8	0	0	0	110.8	S147 K148 Y149	L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.45Å; L145-K148 PolarHBondContact O-N 3.03Å; L145-Y149 HydrophobicContact CB-CD2 3.99Å; L145-Y149 HydrophobicContact CB-CE2 3.98Å; L145-Y149 HydrophobicContact CD2-CE2 4.14Å; L145-Y149 HydrophobicContact CG-CE2 4.48Å; L145-Y149 WeakPolarHBondContact O-CB 3.27Å; L145-Y149 WeakPolarHBondContact O-CD2 3.23Å; L145-Y149 PolarHBondContact O-N 2.87Å
146	A	58.3	Low	64.4	Low	79 Å²	79	52.3 Å²	52.3	65%	0.653	30%	0.301	S	S	*	.	H	α-helix	trans	-57.4	-35.5	175	0	0	0	0	0	113.4	S144 G150	S144-A146 PolarHBondContact O-N 3.18Å; A146-G150 WeakPolarHBondContact O-CA 3.28Å; A146-G150 PolarHBondContact O-N 2.7Å
147	S	58.9	Low	64.1	Low	49 Å²	49	50.5 Å²	50.5	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-73.9	-44	176	-53.9	0	0	0	0	111.5	S144 L145 G150 A151	S144-S147 WeakPolarHBondContact O-CA 3.42Å; S144-S147 WeakPolarHBondContact O-CB 3.49Å; S144-S147 PolarHBondContact O-N 2.84Å; S144-S147 PolarHBondContact OG-N 3.34Å; S144-S147 PolarHBondContact OG-OG 3.36Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.45Å; S147-G150 PolarHBondContact O-N 2.94Å; S147-A151 WeakPolarHBondContact O-CB 3.39Å; S147-A151 PolarHBondContact O-N 2.9Å
148	K	63.3	Low	64.1	Low	12 Å²	12	48.1 Å²	48.1	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-53.4	176.5	-63.9	-176.4	-178.1	177.2	0	110.5	E45 Y139 Y140 E141 A143 S144 L145 G150 A151 L152	E45-K148 IonicContact OE2-NZ 3.69Å; E45-K148 PolarHBondContact OE2-NZ 2.87Å; Y139-K148 HydrophobicContact CD2-CD 4.16Å; Y139-K148 HydrophobicContact CD2-CG 4.23Å; Y139-K148 HydrophobicContact CE2-CD 3.93Å; Y140-K148 WeakPolarHBondContact O-CE 3.4Å; E141-K148 WeakPolarHBondContact O-CE 3.24Å; E141-K148 PolarHBondContact O-NZ 2.89Å; A143-K148 HydrophobicContact CB-CD 4.49Å; A143-K148 HydrophobicContact CB-CG 3.78Å; S144-K148 PolarHBondContact O-N 2.8Å; L145-K148 PolarHBondContact O-N 3.03Å; K148-G150 VanDerWaalsContact C-N 3.34Å; K148-G150 PolarHBondContact O-N 2.92Å; K148-A151 PolarHBondContact O-N 2.93Å; K148-L152 VanDerWaalsContact O-CB 3.25Å; K148-L152 WeakPolarHBondContact O-CB 3.04Å; K148-L152 PolarHBondContact O-N 3.05Å
149	Y	60.3	Low	64.6	Low	71 Å²	71	47.9 Å²	47.9	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-33.5	175.8	-73	-62	0	0	0	112.7	E49 H52 M53 L145 G153	E49-Y149 HydrophobicContact CB-CE1 4.35Å; E49-Y149 PolarHBondContact OE1-OH 2.87Å; E49-Y149 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y149 WeakPolarHBondContact OE2-CE2 3.27Å; E49-Y149 PolarHBondContact OE2-OH 2.69Å; H52-Y149 HydrophobicContact CB-CE1 4.18Å; M53-Y149 HydrophobicContact CG-CD1 3.63Å; M53-Y149 HydrophobicContact CG-CE1 3.83Å; M53-Y149 HydrophobicContact SD-CD1 4.1Å; L145-Y149 HydrophobicContact CB-CD2 3.99Å; L145-Y149 HydrophobicContact CB-CE2 3.98Å; L145-Y149 HydrophobicContact CD2-CE2 4.14Å; L145-Y149 HydrophobicContact CG-CE2 4.48Å; L145-Y149 WeakPolarHBondContact O-CB 3.27Å; L145-Y149 WeakPolarHBondContact O-CD2 3.23Å; L145-Y149 PolarHBondContact O-N 2.87Å; Y149-G153 WeakPolarHBondContact O-CA 3.19Å; Y149-G153 PolarHBondContact O-N 3.12Å
150	G	58.7	Low	64.7	Low	45 Å²	45	49 Å²	49	46%	0.464	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-51	176.6	0	0	0	0	0	111.7	A146 S147 K148 W154	A146-G150 WeakPolarHBondContact O-CA 3.28Å; A146-G150 PolarHBondContact O-N 2.7Å; S147-G150 PolarHBondContact O-N 2.94Å; K148-G150 VanDerWaalsContact C-N 3.34Å; K148-G150 PolarHBondContact O-N 2.92Å; G150-W154 VanDerWaalsContact O-CB 3.27Å; G150-W154 WeakPolarHBondContact O-CB 3.36Å; G150-W154 PolarHBondContact O-N 3.37Å; G150-W154 VanDerWaalsContact O-N 3.12Å
151	A	63	Low	64.3	Low	23 Å²	23	48.4 Å²	48.4	19%	0.19	28%	0.28	C	S	.	.	H	α-helix	trans	-77.5	-52.9	-175	0	0	0	0	0	113	F138 S147 K148 G153 W154 I155	F138-A151 HydrophobicContact CD1-CB 4.31Å; F138-A151 WeakPolarHBondContact O-CB 3.33Å; S147-A151 WeakPolarHBondContact O-CB 3.39Å; S147-A151 PolarHBondContact O-N 2.9Å; K148-A151 PolarHBondContact O-N 2.93Å; A151-G153 VanDerWaalsContact C-N 3.33Å; A151-W154 PolarHBondContact O-N 2.89Å; A151-I155 WeakPolarHBondContact O-CG1 2.93Å; A151-I155 PolarHBondContact O-N 3.03Å; A151-I155 VanDerWaalsContact O-N 3.12Å
152	L	68.7	Low	64.4	Low	5 Å²	5	46 Å²	46	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-35.9	177.1	-62.4	172.1	0	0	0	111.2	L46 M53 L129 Y139 K148 W154 I155 I156	L46-L152 HydrophobicContact CD2-CD1 3.42Å; L46-L152 VanDerWaalsContact CD2-CD1 3.42Å; L46-L152 HydrophobicContact CD2-CD2 4.33Å; M53-L152 HydrophobicContact SD-CB 4.48Å; L129-L152 HydrophobicContact CD2-CD2 4.18Å; Y139-L152 HydrophobicContact CD2-CD1 3.93Å; K148-L152 VanDerWaalsContact O-CB 3.25Å; K148-L152 WeakPolarHBondContact O-CB 3.04Å; K148-L152 PolarHBondContact O-N 3.05Å; L152-W154 PolarHBondContact O-N 2.8Å; L152-I155 PolarHBondContact O-N 2.61Å; L152-I156 WeakPolarHBondContact O-CB 3.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.37Å; L152-I156 PolarHBondContact O-N 3.4Å
153	G	68.1	Low	63.6	Low	11 Å²	11	39.8 Å²	39.8	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-48.5	-55.9	168.9	0	0	0	0	0	112.9	Y149 A151 S157	Y149-G153 WeakPolarHBondContact O-CA 3.19Å; Y149-G153 PolarHBondContact O-N 3.12Å; A151-G153 VanDerWaalsContact C-N 3.33Å; G153-S157 WeakPolarHBondContact O-CB 3.33Å; G153-S157 PolarHBondContact O-N 3.28Å; G153-S157 PolarHBondContact O-OG 2.75Å
154	W	68.3	Low	63.3	Low	105 Å²	105	42 Å²	42	40%	0.398	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-45.3	-178.7	-179.9	78.7	0	0	0	112.1	G150 A151 L152 S157 H158 F170 F173	G150-W154 VanDerWaalsContact O-CB 3.27Å; G150-W154 WeakPolarHBondContact O-CB 3.36Å; G150-W154 PolarHBondContact O-N 3.37Å; G150-W154 VanDerWaalsContact O-N 3.12Å; A151-W154 PolarHBondContact O-N 2.89Å; L152-W154 PolarHBondContact O-N 2.8Å; W154-S157 PolarHBondContact O-N 2.95Å; W154-H158 VanDerWaalsContact O-CB 3.31Å; W154-H158 WeakPolarHBondContact O-CB 3.08Å; W154-H158 PolarHBondContact O-N 2.72Å; W154-F170 HydrophobicContact CH2-CD2 4.29Å; W154-F170 HydrophobicContact CH2-CE2 4.31Å; W154-F170 HydrophobicContact CZ3-CD2 4.28Å; W154-F170 AromaticContact CZ3-CE2 3.88Å; W154-F170 HydrophobicContact CZ3-CE2 3.88Å; W154-F173 HydrophobicContact CE3-CE1 4.35Å; W154-F173 HydrophobicContact CH2-CB 3.94Å; W154-F173 AromaticContact CH2-CD1 3.64Å; W154-F173 HydrophobicContact CH2-CD1 3.64Å; W154-F173 AromaticContact CH2-CD2 3.88Å; W154-F173 HydrophobicContact CH2-CD2 3.88Å; W154-F173 HydrophobicContact CH2-CE1 4.05Å; W154-F173 HydrophobicContact CH2-CE2 4.28Å; W154-F173 AromaticContact CH2-CG 3.53Å; W154-F173 HydrophobicContact CH2-CG 3.53Å; W154-F173 HydrophobicContact CH2-CZ 4.35Å; W154-F173 AromaticContact CZ3-CD1 3.48Å; W154-F173 HydrophobicContact CZ3-CD1 3.48Å; W154-F173 VanDerWaalsContact CZ3-CD1 3.48Å; W154-F173 HydrophobicContact CZ3-CD2 4.4Å; W154-F173 AromaticContact CZ3-CE1 3.59Å; W154-F173 HydrophobicContact CZ3-CE1 3.59Å; W154-F173 AromaticContact CZ3-CG 3.91Å; W154-F173 HydrophobicContact CZ3-CG 3.91Å; W154-F173 HydrophobicContact CZ3-CZ 4.12Å
155	I	69.8	Low	62.6	Low	0 Å²	0	42 Å²	42	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-51.5	178.2	-65	162.5	0	0	0	110.6	A118 L129 F138 A151 L152 S157 H158 E159 F170	A118-I155 HydrophobicContact CB-CG2 3.6Å; L129-I155 HydrophobicContact CD1-CG2 3.55Å; F138-I155 HydrophobicContact CB-CD1 4.48Å; F138-I155 HydrophobicContact CD1-CD1 3.52Å; F138-I155 HydrophobicContact CD1-CG1 4.47Å; F138-I155 HydrophobicContact CE1-CD1 3.91Å; F138-I155 HydrophobicContact CG-CD1 4.15Å; A151-I155 WeakPolarHBondContact O-CG1 2.93Å; A151-I155 PolarHBondContact O-N 3.03Å; A151-I155 VanDerWaalsContact O-N 3.12Å; L152-I155 PolarHBondContact O-N 2.61Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.85Å; I155-H158 VanDerWaalsContact O-CB 3.32Å; I155-H158 WeakPolarHBondContact O-CB 3.06Å; I155-H158 PolarHBondContact O-N 2.84Å; I155-E159 WeakPolarHBondContact O-CG 3.03Å; I155-E159 PolarHBondContact O-N 2.75Å; I155-F170 HydrophobicContact CG1-CE2 4.44Å
156	I	70	Confident	61.9	Low	15 Å²	15	42.3 Å²	42.3	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-40.5	-179.1	-68	165	0	0	0	110.4	M50 M53 I127 L152 H158 E159 I160	M50-I156 HydrophobicContact CG-CD1 3.87Å; M53-I156 HydrophobicContact CE-CB 3.6Å; M53-I156 HydrophobicContact CE-CD1 3.35Å; M53-I156 HydrophobicContact CE-CG1 3.99Å; M53-I156 HydrophobicContact CE-CG2 3.92Å; M53-I156 HydrophobicContact SD-CD1 4.02Å; I127-I156 HydrophobicContact CD1-CG2 4.41Å; L152-I156 WeakPolarHBondContact O-CB 3.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.37Å; L152-I156 PolarHBondContact O-N 3.4Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 2.82Å; I156-E159 PolarHBondContact O-N 3.22Å; I156-I160 HydrophobicContact CG2-CD1 3.92Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.36Å; I156-I160 PolarHBondContact O-N 3.47Å
157	S	62.4	Low	61.5	Low	44 Å²	44	47.6 Å²	47.6	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-38.8	176.3	-60	0	0	0	0	112	G153 W154 I155 E159 I160 M161	G153-S157 WeakPolarHBondContact O-CB 3.33Å; G153-S157 PolarHBondContact O-N 3.28Å; G153-S157 PolarHBondContact O-OG 2.75Å; W154-S157 PolarHBondContact O-N 2.95Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.85Å; S157-E159 VanDerWaalsContact C-N 3.34Å; S157-I160 PolarHBondContact O-N 2.94Å; S157-M161 WeakPolarHBondContact O-CG 3.19Å; S157-M161 PolarHBondContact O-N 3.35Å
158	H	67.4	Low	60.8	Low	20 Å²	20	46.4 Å²	46.4	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-44.4	174.2	-171.6	93.7	0	0	0	111.3	W154 I155 I156 M161 H162 G168 F170	W154-H158 VanDerWaalsContact O-CB 3.31Å; W154-H158 WeakPolarHBondContact O-CB 3.08Å; W154-H158 PolarHBondContact O-N 2.72Å; I155-H158 VanDerWaalsContact O-CB 3.32Å; I155-H158 WeakPolarHBondContact O-CB 3.06Å; I155-H158 PolarHBondContact O-N 2.84Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 2.82Å; H158-M161 WeakPolarHBondContact O-CB 3.28Å; H158-M161 PolarHBondContact O-N 3.32Å; H158-M161 VanDerWaalsContact O-N 3.16Å; H158-H162 AromaticContact CD2-NE2 3.89Å; H158-H162 AromaticContact NE2-NE2 3.76Å; H158-H162 PolarHBondContact O-N 2.84Å; H158-G168 PolarHBondContact CE1-O 3.44Å; H158-G168 PolarHBondContact NE2-O 2.84Å; H158-F170 WeakPolarHBondContact NE2-CA 3.2Å; H158-F170 WeakPolarHBondContact NE2-CB 3.31Å; H158-F170 PolarHBondContact NE2-N 3.39Å; H158-F170 VanDerWaalsContact NE2-N 3.15Å
159	E	70.2	Confident	59.7	Low	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-30.3	176.9	-57.2	-50.8	140.7	0	0	112.9	A118 H119 Y120 I127 I155 I156 S157 M161 H162 A163	A118-E159 HydrophobicContact CB-CG 3.88Å; A118-E159 WeakPolarHBondContact CB-OE1 3.2Å; H119-E159 WeakPolarHBondContact CA-OE2 3.22Å; Y120-E159 WeakPolarHBondContact CB-O 3.19Å; Y120-E159 PolarHBondContact N-OE2 2.69Å; I127-E159 HydrophobicContact CB-CB 4.29Å; I127-E159 HydrophobicContact CD1-CB 3.87Å; I127-E159 HydrophobicContact CG1-CB 3.79Å; I127-E159 HydrophobicContact CG2-CB 3.58Å; I127-E159 HydrophobicContact CG2-CG 3.83Å; I155-E159 WeakPolarHBondContact O-CG 3.03Å; I155-E159 PolarHBondContact O-N 2.75Å; I156-E159 PolarHBondContact O-N 3.22Å; S157-E159 VanDerWaalsContact C-N 3.34Å; E159-M161 VanDerWaalsContact C-N 3.32Å; E159-H162 WeakPolarHBondContact O-CB 3.12Å; E159-H162 PolarHBondContact O-N 3.31Å; E159-H162 IonicContact OE2-CD2 3.41Å; E159-H162 PolarHBondContact OE2-CD2 3.46Å; E159-A163 PolarHBondContact O-N 2.84Å
160	I	61.9	Low	59.2	Low	31 Å²	31	46.9 Å²	46.9	16%	0.159	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-37.2	169.4	-68.3	168.8	0	0	0	110.6	F69 I127 I156 S157 H162 A163 I164	F69-I160 HydrophobicContact CZ-CG2 4Å; I127-I160 HydrophobicContact CD1-CG1 3.59Å; I156-I160 HydrophobicContact CG2-CD1 3.92Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.36Å; I156-I160 PolarHBondContact O-N 3.47Å; S157-I160 PolarHBondContact O-N 2.94Å; I160-H162 VanDerWaalsContact C-N 3.26Å; I160-H162 PolarHBondContact O-N 3.19Å; I160-A163 WeakPolarHBondContact O-CA 3.28Å; I160-A163 VanDerWaalsContact O-CB 3.31Å; I160-A163 WeakPolarHBondContact O-CB 3.11Å; I160-A163 PolarHBondContact O-N 3.32Å; I160-I164 PolarHBondContact O-N 3.07Å
161	M	56.2	Low	58.5	Low	87 Å²	87	50.3 Å²	50.3	43%	0.429	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-38.2	177	-74.1	174.3	-175.1	0	0	111.7	S157 H158 E159 A163 I164 G165 I166	S157-M161 WeakPolarHBondContact O-CG 3.19Å; S157-M161 PolarHBondContact O-N 3.35Å; H158-M161 WeakPolarHBondContact O-CB 3.28Å; H158-M161 PolarHBondContact O-N 3.32Å; H158-M161 VanDerWaalsContact O-N 3.16Å; E159-M161 VanDerWaalsContact C-N 3.32Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 2.84Å; M161-I164 VanDerWaalsContact O-CG1 3.22Å; M161-I164 WeakPolarHBondContact O-CG1 3.38Å; M161-I164 PolarHBondContact O-N 3.36Å; M161-G165 PolarHBondContact O-N 3.35Å; M161-I166 CarbonylContact C-O 3.32Å; M161-I166 HydrophobicContact CB-CB 4.18Å; M161-I166 HydrophobicContact CB-CG2 4.43Å; M161-I166 WeakPolarHBondContact O-CA 3.26Å; M161-I166 WeakPolarHBondContact O-CB 3.27Å; M161-I166 PolarHBondContact O-N 2.85Å; M161-I166 VanDerWaalsContact O-O 3.1Å
162	H	63.8	Low	57.4	Low	57 Å²	57	55.7 Å²	55.7	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-40	171.2	-72.1	-48.2	0	0	0	113	Y120 H158 E159 I160 I164 G165 G168	Y120-H162 HydrophobicContact CD1-CB 3.89Å; Y120-H162 HydrophobicContact CG-CB 4.1Å; H158-H162 AromaticContact CD2-NE2 3.89Å; H158-H162 AromaticContact NE2-NE2 3.76Å; H158-H162 PolarHBondContact O-N 2.84Å; E159-H162 WeakPolarHBondContact O-CB 3.12Å; E159-H162 PolarHBondContact O-N 3.31Å; E159-H162 IonicContact OE2-CD2 3.41Å; E159-H162 PolarHBondContact OE2-CD2 3.46Å; I160-H162 VanDerWaalsContact C-N 3.26Å; I160-H162 PolarHBondContact O-N 3.19Å; H162-I164 VanDerWaalsContact C-N 3.31Å; H162-I164 PolarHBondContact O-N 3.25Å; H162-G165 PolarHBondContact O-N 2.99Å; H162-G168 PolarHBondContact CE1-O 2.81Å; H162-G168 PolarHBondContact NE2-O 3.1Å; H162-G168 VanDerWaalsContact NE2-O 3.11Å
163	A	56.1	Low	55.9	Low	18 Å²	18	58.7 Å²	58.7	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-30.4	179.3	0	0	0	0	0	113.9	F69 Y120 E159 I160 M161 G165	F69-A163 HydrophobicContact CE1-CB 3.5Å; F69-A163 VanDerWaalsContact CE1-CB 3.5Å; F69-A163 HydrophobicContact CZ-CB 3.62Å; Y120-A163 HydrophobicContact CD1-CB 4.22Å; Y120-A163 HydrophobicContact CD2-CB 3.86Å; Y120-A163 VanDerWaalsContact CE1-CA 3.42Å; Y120-A163 HydrophobicContact CE1-CB 3.8Å; Y120-A163 HydrophobicContact CE2-CB 3.4Å; Y120-A163 VanDerWaalsContact CE2-CB 3.4Å; Y120-A163 HydrophobicContact CG-CB 4.23Å; E159-A163 PolarHBondContact O-N 2.84Å; I160-A163 WeakPolarHBondContact O-CA 3.28Å; I160-A163 VanDerWaalsContact O-CB 3.31Å; I160-A163 WeakPolarHBondContact O-CB 3.11Å; I160-A163 PolarHBondContact O-N 3.32Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 2.84Å; A163-G165 VanDerWaalsContact C-N 3.33Å
164	I	55	Low	54.5	Low	57 Å²	57	60.1 Å²	60.1	29%	0.292	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	12.1	178.7	62.9	173.1	0	0	0	113.6	M65 F69 I160 M161 H162 I166	M65-I164 HydrophobicContact CE-CD1 3.81Å; F69-I164 HydrophobicContact CE2-CG2 4.12Å; F69-I164 HydrophobicContact CZ-CG2 4.1Å; I160-I164 PolarHBondContact O-N 3.07Å; M161-I164 VanDerWaalsContact O-CG1 3.22Å; M161-I164 WeakPolarHBondContact O-CG1 3.38Å; M161-I164 PolarHBondContact O-N 3.36Å; H162-I164 VanDerWaalsContact C-N 3.31Å; H162-I164 PolarHBondContact O-N 3.25Å; I164-I166 HydrophobicContact CD1-CD1 3.78Å; I164-I166 HydrophobicContact CD1-CG1 4.33Å; I164-I166 HydrophobicContact CG1-CD1 4.17Å; I164-I166 HydrophobicContact CG1-CG1 4.17Å
165	G	53.2	Low	52.8	Low	66 Å²	66	61.4 Å²	61.4	68%	0.68	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	16.2	176.4	0	0	0	0	0	114.7	M161 H162 A163	M161-G165 PolarHBondContact O-N 3.35Å; H162-G165 PolarHBondContact O-N 2.99Å; A163-G165 VanDerWaalsContact C-N 3.33Å
166	I	46.8	Very low	50.9	Low	92 Å²	92	69.5 Å²	69.5	47%	0.472	37%	0.374	S	S	.	.			trans	-95.1	102.5	170.4	-58.8	176.8	0	0	0	107.4	M161 I164 G168	M161-I166 CarbonylContact C-O 3.32Å; M161-I166 HydrophobicContact CB-CB 4.18Å; M161-I166 HydrophobicContact CB-CG2 4.43Å; M161-I166 WeakPolarHBondContact O-CA 3.26Å; M161-I166 WeakPolarHBondContact O-CB 3.27Å; M161-I166 PolarHBondContact O-N 2.85Å; M161-I166 VanDerWaalsContact O-O 3.1Å; I164-I166 HydrophobicContact CD1-CD1 3.78Å; I164-I166 HydrophobicContact CD1-CG1 4.33Å; I164-I166 HydrophobicContact CG1-CD1 4.17Å; I164-I166 HydrophobicContact CG1-CG1 4.17Å; I166-G168 PolarHBondContact O-N 3.29Å; I166-G168 VanDerWaalsContact O-N 3.16Å
167	E	50.2	Low	49.2	Very low	190 Å²	190	72.1 Å²	72.1	89%	0.888	39%	0.388	S	S	*	.			trans	-73.4	104.4	172.6	-67.7	-172.9	170.1	0	0	109.9
168	G	43.9	Very low	47.9	Very low	25 Å²	25	76 Å²	76	26%	0.258	40%	0.4	S	S	.	.			trans	-112.8	123.8	167.3	0	0	0	0	0	110.2	H158 H162 I166 F170	H158-G168 PolarHBondContact CE1-O 3.44Å; H158-G168 PolarHBondContact NE2-O 2.84Å; H162-G168 PolarHBondContact CE1-O 2.81Å; H162-G168 PolarHBondContact NE2-O 3.1Å; H162-G168 VanDerWaalsContact NE2-O 3.11Å; I166-G168 PolarHBondContact O-N 3.29Å; I166-G168 VanDerWaalsContact O-N 3.16Å; G168-F170 PolarHBondContact O-N 3.42Å
169	S	39.1	Very low	46.2	Very low	83 Å²	83	82.6 Å²	82.6	58%	0.58	45%	0.448	S	S	*	.			trans	-79.9	105.2	-177	60.4	0	0	0	0	112.3	N171	S169-N171 PolarHBondContact O-N 3.4Å
170	F	50.9	Low	45	Very low	10 Å²	10	86.7 Å²	86.7	4%	0.044	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-58.5	-30.1	171.8	-175.4	-106.1	0	0	0	113	H133 W154 I155 H158 G168 H172 F173 T174	H133-F170 AromaticContact NE2-CZ 3.62Å; W154-F170 HydrophobicContact CH2-CD2 4.29Å; W154-F170 HydrophobicContact CH2-CE2 4.31Å; W154-F170 HydrophobicContact CZ3-CD2 4.28Å; W154-F170 AromaticContact CZ3-CE2 3.88Å; W154-F170 HydrophobicContact CZ3-CE2 3.88Å; I155-F170 HydrophobicContact CG1-CE2 4.44Å; H158-F170 WeakPolarHBondContact NE2-CA 3.2Å; H158-F170 WeakPolarHBondContact NE2-CB 3.31Å; H158-F170 PolarHBondContact NE2-N 3.39Å; H158-F170 VanDerWaalsContact NE2-N 3.15Å; G168-F170 PolarHBondContact O-N 3.42Å; F170-H172 PolarHBondContact O-N 2.9Å; F170-F173 HydrophobicContact CE2-CD1 4.46Å; F170-F173 PolarHBondContact O-N 3.02Å; F170-T174 HydrophobicContact CD1-CG2 4.26Å; F170-T174 HydrophobicContact CE1-CG2 3.47Å; F170-T174 VanDerWaalsContact CE1-CG2 3.47Å; F170-T174 HydrophobicContact CZ-CG2 3.9Å
171	N	44.1	Very low	44.1	Very low	117 Å²	117	89.6 Å²	89.6	63%	0.626	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-57.4	-18.3	-172.2	-70.1	-26.5	0	0	0	115.3	S169	S169-N171 PolarHBondContact O-N 3.4Å
172	H	40	Very low	43.5	Very low	135 Å²	135	89.7 Å²	89.7	63%	0.625	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-84.2	-20	175.9	-89.9	123	0	0	0	114.4	F170	F170-H172 PolarHBondContact O-N 2.9Å
173	F	36	Very low	42.3	Very low	69 Å²	69	91.6 Å²	91.6	30%	0.303	50%	0.503	S	S	.	.	H	α-helix	trans	-82.9	-36.1	-172.3	-173.9	-105.2	0	0	0	113.3	F138 W154 F170 Q175 F176 L177	F138-F173 AromaticContact CE1-CE1 3.89Å; F138-F173 HydrophobicContact CE1-CE1 3.89Å; F138-F173 HydrophobicContact CZ-CE1 4.12Å; W154-F173 HydrophobicContact CE3-CE1 4.35Å; W154-F173 HydrophobicContact CH2-CB 3.94Å; W154-F173 AromaticContact CH2-CD1 3.64Å; W154-F173 HydrophobicContact CH2-CD1 3.64Å; W154-F173 AromaticContact CH2-CD2 3.88Å; W154-F173 HydrophobicContact CH2-CD2 3.88Å; W154-F173 HydrophobicContact CH2-CE1 4.05Å; W154-F173 HydrophobicContact CH2-CE2 4.28Å; W154-F173 AromaticContact CH2-CG 3.53Å; W154-F173 HydrophobicContact CH2-CG 3.53Å; W154-F173 HydrophobicContact CH2-CZ 4.35Å; W154-F173 AromaticContact CZ3-CD1 3.48Å; W154-F173 HydrophobicContact CZ3-CD1 3.48Å; W154-F173 VanDerWaalsContact CZ3-CD1 3.48Å; W154-F173 HydrophobicContact CZ3-CD2 4.4Å; W154-F173 AromaticContact CZ3-CE1 3.59Å; W154-F173 HydrophobicContact CZ3-CE1 3.59Å; W154-F173 AromaticContact CZ3-CG 3.91Å; W154-F173 HydrophobicContact CZ3-CG 3.91Å; W154-F173 HydrophobicContact CZ3-CZ 4.12Å; F170-F173 HydrophobicContact CE2-CD1 4.46Å; F170-F173 PolarHBondContact O-N 3.02Å; F173-Q175 PolarHBondContact O-N 2.72Å; F173-F176 WeakPolarHBondContact O-CB 3.38Å; F173-F176 PolarHBondContact O-N 3.48Å; F173-L177 HydrophobicContact CD1-CD1 4.05Å; F173-L177 HydrophobicContact CE1-CD1 3.24Å; F173-L177 HydrophobicContact CE1-CG 4.02Å; F173-L177 HydrophobicContact CZ-CD1 3.55Å; F173-L177 HydrophobicContact CZ-CD2 4.48Å; F173-L177 HydrophobicContact CZ-CG 3.98Å; F173-L177 PolarHBondContact O-N 2.73Å
174	T	39.8	Very low	41.4	Very low	41 Å²	41	96.3 Å²	96.3	25%	0.252	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-28.7	176.1	53.3	0	0	0	0	112.2	F170 F176 F178	F170-T174 HydrophobicContact CD1-CG2 4.26Å; F170-T174 HydrophobicContact CE1-CG2 3.47Å; F170-T174 VanDerWaalsContact CE1-CG2 3.47Å; F170-T174 HydrophobicContact CZ-CG2 3.9Å; T174-F176 VanDerWaalsContact C-N 3.3Å; T174-F176 PolarHBondContact O-N 2.81Å; T174-F178 WeakPolarHBondContact O-CD2 3.44Å
175	Q	32.5	Very low	40.5	Very low	132 Å²	132	98.9 Å²	98.9	62%	0.617	54%	0.54	S	S	*	.	H	α-helix	trans	-72.8	-25.1	175.7	-142.4	166.7	37.3	0	0	112.7	F173 S179	F173-Q175 PolarHBondContact O-N 2.72Å; Q175-S179 PolarHBondContact O-N 3.13Å; Q175-S179 PolarHBondContact O-OG 2.89Å
176	F	29.8	Very low	39.6	Very low	169 Å²	169	101.2 Å²	101.2	74%	0.741	53%	0.53	S	S	*	.	H	α-helix	trans	-87	-24.2	-175.3	-145.3	-86.9	0	0	0	113.6	F173 T174	F173-F176 WeakPolarHBondContact O-CB 3.38Å; F173-F176 PolarHBondContact O-N 3.48Å; T174-F176 VanDerWaalsContact C-N 3.3Å; T174-F176 PolarHBondContact O-N 2.81Å
177	L	33.7	Very low	39	Very low	71 Å²	71	101.9 Å²	101.9	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-91.2	-13	177.1	-74.9	177.6	0	0	0	114.2	P137 F138 F173	P137-L177 HydrophobicContact CG-CD1 4.04Å; F138-L177 HydrophobicContact CE1-CD1 3.95Å; F138-L177 HydrophobicContact CE2-CD1 4.27Å; F138-L177 HydrophobicContact CZ-CD1 3.5Å; F138-L177 VanDerWaalsContact CZ-CD1 3.5Å; F173-L177 HydrophobicContact CD1-CD1 4.05Å; F173-L177 HydrophobicContact CE1-CD1 3.24Å; F173-L177 HydrophobicContact CE1-CG 4.02Å; F173-L177 HydrophobicContact CZ-CD1 3.55Å; F173-L177 HydrophobicContact CZ-CD2 4.48Å; F173-L177 HydrophobicContact CZ-CG 3.98Å; F173-L177 PolarHBondContact O-N 2.73Å
178	F	35.6	Very low	38.1	Very low	126 Å²	126	94.6 Å²	94.6	55%	0.553	51%	0.506	S	S	*	.			trans	-120.8	13.9	-178.6	-64.4	-70.6	0	0	0	114	T174	T174-F178 WeakPolarHBondContact O-CD2 3.44Å
179	S	32	Very low	37.6	Very low	157 Å²	157	100.9 Å²	100.9	100%	1.098	53%	0.528	S	S	*	.			trans	-101.9	0	161.8	-75.6	0	0	0	0	110.5	Q175	Q175-S179 PolarHBondContact O-N 3.13Å; Q175-S179 PolarHBondContact O-OG 2.89Å

Retrieved 179 of 179 residues in 370.2 ms (Link to these results)

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