A0A5K4F889_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F889, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 aa.

						>A0A5K4F889_SCHMA|A0A5K4F889
MPISQSYSLKQFNPDNEALINEYFSSEKVDEAAEHCLRLIGSKTIVSRNNPNYNNHYNNDENALSYTARKLKWRHCILKELDRINRGLFSWNIGSLFNYNKDMNTVE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	36	Very low	231 Å²	231	135.6 Å²	135.6	100%	1.138	72%	0.724	S	S	*	*				0	128.6	0	-73.3	-179.7	164.8	0	0	108.1
2	P	34.7	Very low	36.6	Very low	123 Å²	123	126.8 Å²	126.8	80%	0.799	67%	0.674	S	S	*	*			trans	-72.5	129.9	175.4	29.7	-31.7	0	0	0	109.7	S4	P2-S4 VanDerWaalsContact C-N 3.34Å; P2-S4 PolarHBondContact O-N 2.83Å
3	I	33.6	Very low	37.7	Very low	134 Å²	134	123.2 Å²	123.2	69%	0.687	66%	0.655	S	S	*	*			trans	-79.4	86.3	-177.3	-57.8	172.5	0	0	0	108	Q5	I3-Q5 HydrophobicContact CG2-CB 3.9Å; I3-Q5 HydrophobicContact CG2-CG 3.59Å; I3-Q5 PolarHBondContact O-N 3.24Å; I3-Q5 VanDerWaalsContact O-N 3.11Å
4	S	32.4	Very low	38.8	Very low	112 Å²	112	120.6 Å²	120.6	78%	0.783	65%	0.649	S	S	*	*			trans	-75.6	81.7	159.9	54.8	0	0	0	0	108	P2	P2-S4 VanDerWaalsContact C-N 3.34Å; P2-S4 PolarHBondContact O-N 2.83Å
5	Q	36.3	Very low	39.8	Very low	108 Å²	108	120.1 Å²	120.1	51%	0.505	65%	0.646	S	S	.	*			trans	-108.3	92.5	166.9	-77	178.9	-5.8	0	0	107.3	I3 Y7	I3-Q5 HydrophobicContact CG2-CB 3.9Å; I3-Q5 HydrophobicContact CG2-CG 3.59Å; I3-Q5 PolarHBondContact O-N 3.24Å; I3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-Y7 HydrophobicContact CB-CD1 4.23Å; Q5-Y7 HydrophobicContact CB-CD2 3.75Å; Q5-Y7 HydrophobicContact CB-CE1 3.97Å; Q5-Y7 HydrophobicContact CB-CE2 3.42Å; Q5-Y7 VanDerWaalsContact CB-CE2 3.42Å; Q5-Y7 HydrophobicContact CB-CG 4.15Å; Q5-Y7 WeakPolarHBondContact O-CD2 3.29Å; Q5-Y7 WeakPolarHBondContact O-CE2 3.3Å; Q5-Y7 PolarHBondContact O-N 2.96Å; Q5-Y7 PolarHBondContact OE1-OH 3.04Å
6	S	34.9	Very low	40.5	Very low	120 Å²	120	117.4 Å²	117.4	84%	0.839	63%	0.631	S	S	*	*			trans	-57.5	87.2	145.1	36.2	0	0	0	0	106.6	S8	S6-S8 VanDerWaalsContact C-N 3.26Å; S6-S8 PolarHBondContact O-N 3.33Å
7	Y	37.2	Very low	40.9	Very low	113 Å²	113	114.5 Å²	114.5	44%	0.443	61%	0.613	S	S	.	*			trans	-65	94.3	175.1	-66.1	-90.5	0	0	0	107.1	Q5 L9	Q5-Y7 HydrophobicContact CB-CD1 4.23Å; Q5-Y7 HydrophobicContact CB-CD2 3.75Å; Q5-Y7 HydrophobicContact CB-CE1 3.97Å; Q5-Y7 HydrophobicContact CB-CE2 3.42Å; Q5-Y7 VanDerWaalsContact CB-CE2 3.42Å; Q5-Y7 HydrophobicContact CB-CG 4.15Å; Q5-Y7 WeakPolarHBondContact O-CD2 3.29Å; Q5-Y7 WeakPolarHBondContact O-CE2 3.3Å; Q5-Y7 PolarHBondContact O-N 2.96Å; Q5-Y7 PolarHBondContact OE1-OH 3.04Å; Y7-L9 PolarHBondContact O-N 3.22Å
8	S	35	Very low	42	Very low	78 Å²	78	111.3 Å²	111.3	55%	0.545	61%	0.605	S	S	.	*			trans	-60.9	134.5	168.7	-174.2	0	0	0	0	107.2	S6 K10	S6-S8 VanDerWaalsContact C-N 3.26Å; S6-S8 PolarHBondContact O-N 3.33Å; S8-K10 PolarHBondContact O-N 2.8Å
9	L	38.6	Very low	42.7	Very low	127 Å²	127	110.1 Å²	110.1	67%	0.665	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	18.1	170.5	-72.9	163.7	0	0	0	113.8	Y7 F12	Y7-L9 PolarHBondContact O-N 3.22Å; L9-F12 HydrophobicContact CB-CE2 3.76Å; L9-F12 HydrophobicContact CD2-CE2 3.39Å; L9-F12 HydrophobicContact CD2-CZ 3.53Å; L9-F12 HydrophobicContact CG-CE2 4.17Å; L9-F12 WeakPolarHBondContact O-CD2 3.14Å; L9-F12 WeakPolarHBondContact O-CE2 3.05Å
10	K	40.3	Very low	43.1	Very low	185 Å²	185	105.9 Å²	105.9	80%	0.804	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	6.2	179.8	-73.2	-169.4	173.4	-172.5	0	114.1	S8	S8-K10 PolarHBondContact O-N 2.8Å
11	Q	43.8	Very low	43.8	Very low	161 Å²	161	105.7 Å²	105.7	75%	0.752	57%	0.573	S	S	*	*			trans	-93.9	5.1	178	-145.3	172.4	19.3	0	0	113.5
12	F	43.6	Very low	45.1	Very low	29 Å²	29	101.2 Å²	101.2	13%	0.127	55%	0.549	C	S	.	.	S	Bend	trans	-73	139.4	172.6	-56.5	-76.8	0	0	0	110.4	L9 E17 I20 N85	L9-F12 HydrophobicContact CB-CE2 3.76Å; L9-F12 HydrophobicContact CD2-CE2 3.39Å; L9-F12 HydrophobicContact CD2-CZ 3.53Å; L9-F12 HydrophobicContact CG-CE2 4.17Å; L9-F12 WeakPolarHBondContact O-CD2 3.14Å; L9-F12 WeakPolarHBondContact O-CE2 3.05Å; F12-E17 HydrophobicContact CB-CB 3.54Å; F12-E17 HydrophobicContact CB-CG 3.91Å; F12-E17 HydrophobicContact CD2-CB 4.27Å; F12-E17 HydrophobicContact CD2-CG 3.69Å; F12-E17 HydrophobicContact CE2-CG 4.44Å; F12-E17 HydrophobicContact CG-CB 4.02Å; F12-E17 HydrophobicContact CG-CG 3.94Å; F12-I20 HydrophobicContact CD1-CD1 3.47Å; F12-I20 VanDerWaalsContact CD1-CD1 3.47Å; F12-I20 HydrophobicContact CE1-CD1 3.39Å; F12-I20 HydrophobicContact CE1-CG2 4.17Å; F12-I20 HydrophobicContact CZ-CG2 4.43Å; F12-N85 VanDerWaalsContact CD1-ND2 3.28Å; F12-N85 WeakPolarHBondContact CD1-ND2 3.23Å; F12-N85 WeakPolarHBondContact CD1-OD1 3.33Å; F12-N85 VanDerWaalsContact CE1-CG 3.46Å; F12-N85 WeakPolarHBondContact CE1-ND2 3.37Å
13	N	50.3	Low	45.9	Very low	80 Å²	80	103.2 Å²	103.2	43%	0.428	54%	0.542	S	S	.	.			trans	-58.5	128.4	151.8	-180	4.6	0	0	0	106.6	D15 N16 E17	N13-D15 PolarHBondContact O-N 2.82Å; N13-N16 HydrophobicContact CB-CB 4.18Å; N13-N16 CarbonylContact O-C 3.59Å; N13-N16 WeakPolarHBondContact O-CA 3.43Å; N13-N16 WeakPolarHBondContact O-CB 3.39Å; N13-N16 PolarHBondContact O-N 3.21Å; N13-E17 PolarHBondContact O-N 3.42Å
14	P	53.5	Low	47	Very low	88 Å²	88	99.4 Å²	99.4	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-50.1	-32.6	179.8	14.5	-30.3	0	0	0	113.9	E17 A18	P14-E17 PolarHBondContact O-N 2.84Å; P14-A18 PolarHBondContact O-N 3.32Å
15	D	54	Low	48.3	Very low	112 Å²	112	96.3 Å²	96.3	60%	0.599	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-39	175	-59.3	-29.5	0	0	0	112.4	N13 L19	N13-D15 PolarHBondContact O-N 2.82Å; D15-L19 PolarHBondContact O-N 2.72Å
16	N	49.9	Very low	49.8	Very low	77 Å²	77	93.9 Å²	93.9	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-73.8	-35.2	174	-68	-8.8	0	0	0	110.8	N13 A18 L19 I20	N13-N16 HydrophobicContact CB-CB 4.18Å; N13-N16 CarbonylContact O-C 3.59Å; N13-N16 WeakPolarHBondContact O-CA 3.43Å; N13-N16 WeakPolarHBondContact O-CB 3.39Å; N13-N16 PolarHBondContact O-N 3.21Å; N16-A18 VanDerWaalsContact C-N 3.33Å; N16-A18 PolarHBondContact O-N 3.18Å; N16-L19 PolarHBondContact O-N 3.44Å; N16-I20 WeakPolarHBondContact O-CB 3.23Å; N16-I20 WeakPolarHBondContact O-CD1 3.44Å; N16-I20 WeakPolarHBondContact O-CG1 3.32Å; N16-I20 PolarHBondContact O-N 2.78Å
17	E	48.5	Very low	51.8	Low	69 Å²	69	94.7 Å²	94.7	32%	0.322	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-40.6	176.3	-159.7	178.4	165.5	0	0	111.4	F12 N13 P14 I20 N21	F12-E17 HydrophobicContact CB-CB 3.54Å; F12-E17 HydrophobicContact CB-CG 3.91Å; F12-E17 HydrophobicContact CD2-CB 4.27Å; F12-E17 HydrophobicContact CD2-CG 3.69Å; F12-E17 HydrophobicContact CE2-CG 4.44Å; F12-E17 HydrophobicContact CG-CB 4.02Å; F12-E17 HydrophobicContact CG-CG 3.94Å; N13-E17 PolarHBondContact O-N 3.42Å; P14-E17 PolarHBondContact O-N 2.84Å; E17-I20 CarbonylContact O-C 3.6Å; E17-I20 PolarHBondContact O-N 3.42Å; E17-N21 VanDerWaalsContact O-CB 3.29Å; E17-N21 WeakPolarHBondContact O-CB 3.17Å; E17-N21 PolarHBondContact O-N 2.82Å; E17-N21 PolarHBondContact O-ND2 2.73Å
18	A	59.3	Low	53.5	Low	56 Å²	56	93.8 Å²	93.8	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-47.5	176.2	0	0	0	0	0	111.6	P14 N16 I20 N21 E22	P14-A18 PolarHBondContact O-N 3.32Å; N16-A18 VanDerWaalsContact C-N 3.33Å; N16-A18 PolarHBondContact O-N 3.18Å; A18-I20 VanDerWaalsContact C-N 3.28Å; A18-I20 PolarHBondContact O-N 3.24Å; A18-N21 PolarHBondContact O-N 3.4Å; A18-E22 VanDerWaalsContact O-CB 3.3Å; A18-E22 WeakPolarHBondContact O-CB 2.96Å; A18-E22 PolarHBondContact O-N 2.81Å
19	L	55.3	Low	55.3	Low	89 Å²	89	90.3 Å²	90.3	47%	0.466	46%	0.458	S	S	.	.	H	α-helix	trans	-60.6	-40.2	174.6	-75.5	170.3	0	0	0	111.5	D15 N16 Y23	D15-L19 PolarHBondContact O-N 2.72Å; N16-L19 PolarHBondContact O-N 3.44Å; L19-Y23 HydrophobicContact CD2-CE2 4.46Å; L19-Y23 VanDerWaalsContact O-CB 3.23Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 WeakPolarHBondContact O-CD2 2.8Å; L19-Y23 PolarHBondContact O-N 2.7Å
20	I	52.3	Low	57	Low	26 Å²	26	86.4 Å²	86.4	13%	0.133	44%	0.438	C	S	.	.	H	α-helix	trans	-63.8	-53.4	173.9	-73.9	169.8	0	0	0	108.8	F12 N16 E17 A18 E22 Y23 F24 N85	F12-I20 HydrophobicContact CD1-CD1 3.47Å; F12-I20 VanDerWaalsContact CD1-CD1 3.47Å; F12-I20 HydrophobicContact CE1-CD1 3.39Å; F12-I20 HydrophobicContact CE1-CG2 4.17Å; F12-I20 HydrophobicContact CZ-CG2 4.43Å; N16-I20 WeakPolarHBondContact O-CB 3.23Å; N16-I20 WeakPolarHBondContact O-CD1 3.44Å; N16-I20 WeakPolarHBondContact O-CG1 3.32Å; N16-I20 PolarHBondContact O-N 2.78Å; E17-I20 CarbonylContact O-C 3.6Å; E17-I20 PolarHBondContact O-N 3.42Å; A18-I20 VanDerWaalsContact C-N 3.28Å; A18-I20 PolarHBondContact O-N 3.24Å; I20-E22 VanDerWaalsContact C-N 3.26Å; I20-E22 PolarHBondContact O-N 3.05Å; I20-Y23 PolarHBondContact O-N 2.96Å; I20-F24 VanDerWaalsContact C-CD2 3.47Å; I20-F24 HydrophobicContact CB-CD2 3.98Å; I20-F24 HydrophobicContact CB-CE2 3.76Å; I20-F24 HydrophobicContact CB-CZ 4.43Å; I20-F24 HydrophobicContact CG1-CD2 4.39Å; I20-F24 HydrophobicContact CG1-CE2 3.7Å; I20-F24 HydrophobicContact CG1-CZ 4.29Å; I20-F24 HydrophobicContact CG2-CD1 4.3Å; I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE1 4.21Å; I20-F24 HydrophobicContact CG2-CE2 3.45Å; I20-F24 VanDerWaalsContact CG2-CE2 3.45Å; I20-F24 HydrophobicContact CG2-CG 3.99Å; I20-F24 HydrophobicContact CG2-CZ 3.72Å; I20-F24 VanDerWaalsContact O-CA 3.32Å; I20-F24 WeakPolarHBondContact O-CA 3.32Å; I20-F24 WeakPolarHBondContact O-CB 2.88Å; I20-F24 WeakPolarHBondContact O-CD2 2.95Å; I20-F24 WeakPolarHBondContact O-CG 3.22Å; I20-F24 PolarHBondContact O-N 3.38Å; I20-N85 HydrophobicContact CD1-CB 4.39Å; I20-N85 WeakPolarHBondContact CD1-OD1 3.25Å
21	N	57	Low	58.9	Low	102 Å²	102	82 Å²	82	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-32.8	179.9	-71.5	-27.3	0	0	0	113.4	E17 A18 S25	E17-N21 VanDerWaalsContact O-CB 3.29Å; E17-N21 WeakPolarHBondContact O-CB 3.17Å; E17-N21 PolarHBondContact O-N 2.82Å; E17-N21 PolarHBondContact O-ND2 2.73Å; A18-N21 PolarHBondContact O-N 3.4Å; N21-S25 PolarHBondContact O-N 3.5Å
22	E	57	Low	60.5	Low	136 Å²	136	76.2 Å²	76.2	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-74.3	-49.2	175.9	-170.8	177.9	174.7	0	0	112.2	A18 I20 F24 S25	A18-E22 VanDerWaalsContact O-CB 3.3Å; A18-E22 WeakPolarHBondContact O-CB 2.96Å; A18-E22 PolarHBondContact O-N 2.81Å; I20-E22 VanDerWaalsContact C-N 3.26Å; I20-E22 PolarHBondContact O-N 3.05Å; E22-F24 VanDerWaalsContact C-N 3.27Å; E22-F24 PolarHBondContact O-N 3.05Å; E22-S25 VanDerWaalsContact O-CB 3.23Å; E22-S25 WeakPolarHBondContact O-CB 3.28Å; E22-S25 PolarHBondContact O-N 3.35Å; E22-S25 PolarHBondContact O-OG 2.68Å
23	Y	51.7	Low	62.2	Low	165 Å²	165	74.8 Å²	74.8	65%	0.647	39%	0.393	S	S	*	.	H	α-helix	trans	-68.2	-27.8	175.1	-90.4	-87.1	0	0	0	112.9	L19 I20 S25 K28	L19-Y23 HydrophobicContact CD2-CE2 4.46Å; L19-Y23 VanDerWaalsContact O-CB 3.23Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 WeakPolarHBondContact O-CD2 2.8Å; L19-Y23 PolarHBondContact O-N 2.7Å; I20-Y23 PolarHBondContact O-N 2.96Å; Y23-S25 VanDerWaalsContact C-N 3.32Å; Y23-K28 WeakPolarHBondContact O-CB 3.39Å
24	F	55.3	Low	63.5	Low	55 Å²	55	72.7 Å²	72.7	24%	0.241	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.5	178.2	-64.8	-126.4	0	0	0	111.8	I20 E22 S26 V29 L78 L81	I20-F24 VanDerWaalsContact C-CD2 3.47Å; I20-F24 HydrophobicContact CB-CD2 3.98Å; I20-F24 HydrophobicContact CB-CE2 3.76Å; I20-F24 HydrophobicContact CB-CZ 4.43Å; I20-F24 HydrophobicContact CG1-CD2 4.39Å; I20-F24 HydrophobicContact CG1-CE2 3.7Å; I20-F24 HydrophobicContact CG1-CZ 4.29Å; I20-F24 HydrophobicContact CG2-CD1 4.3Å; I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE1 4.21Å; I20-F24 HydrophobicContact CG2-CE2 3.45Å; I20-F24 VanDerWaalsContact CG2-CE2 3.45Å; I20-F24 HydrophobicContact CG2-CG 3.99Å; I20-F24 HydrophobicContact CG2-CZ 3.72Å; I20-F24 VanDerWaalsContact O-CA 3.32Å; I20-F24 WeakPolarHBondContact O-CA 3.32Å; I20-F24 WeakPolarHBondContact O-CB 2.88Å; I20-F24 WeakPolarHBondContact O-CD2 2.95Å; I20-F24 WeakPolarHBondContact O-CG 3.22Å; I20-F24 PolarHBondContact O-N 3.38Å; E22-F24 VanDerWaalsContact C-N 3.27Å; E22-F24 PolarHBondContact O-N 3.05Å; F24-S26 PolarHBondContact O-N 2.9Å; F24-V29 HydrophobicContact CB-CG2 4.44Å; F24-L78 HydrophobicContact CD1-CD2 3.18Å; F24-L78 HydrophobicContact CE1-CD2 3.5Å; F24-L78 HydrophobicContact CG-CD2 4.25Å; F24-L81 HydrophobicContact CD1-CD1 4.48Å; F24-L81 HydrophobicContact CD2-CD1 4.23Å; F24-L81 HydrophobicContact CE1-CB 3.96Å; F24-L81 HydrophobicContact CE1-CD1 3.87Å; F24-L81 HydrophobicContact CE2-CB 4.11Å; F24-L81 HydrophobicContact CE2-CD1 3.65Å; F24-L81 HydrophobicContact CE2-CG 4.33Å; F24-L81 HydrophobicContact CZ-CB 3.35Å; F24-L81 HydrophobicContact CZ-CD1 3.5Å; F24-L81 HydrophobicContact CZ-CG 3.98Å
25	S	61.4	Low	64.8	Low	46 Å²	46	74.1 Å²	74.1	32%	0.322	38%	0.379	S	S	.	.	S	Bend	trans	-49.6	133.2	160.6	62.5	0	0	0	0	108.1	N21 E22 Y23 E27 K28 V29	N21-S25 PolarHBondContact O-N 3.5Å; E22-S25 VanDerWaalsContact O-CB 3.23Å; E22-S25 WeakPolarHBondContact O-CB 3.28Å; E22-S25 PolarHBondContact O-N 3.35Å; E22-S25 PolarHBondContact O-OG 2.68Å; Y23-S25 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact O-N 2.94Å; S25-K28 PolarHBondContact O-N 3.39Å; S25-V29 PolarHBondContact O-N 3.44Å
26	S	67.3	Low	65.8	Low	57 Å²	57	70.2 Å²	70.2	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-51.2	-36.1	-170.8	-172.2	0	0	0	0	111.7	F24 D30 R74	F24-S26 PolarHBondContact O-N 2.9Å; S26-D30 VanDerWaalsContact O-CB 3.25Å; S26-D30 WeakPolarHBondContact O-CB 3.19Å; S26-D30 PolarHBondContact O-N 2.92Å; S26-D30 PolarHBondContact OG-OD2 2.97Å; S26-R74 PolarHBondContact OG-NH1 3.46Å; S26-R74 PolarHBondContact OG-NH2 3.32Å
27	E	75.8	Confident	66.9	Low	138 Å²	138	67.5 Å²	67.5	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-46.7	-179.5	-172	172.5	-156.3	0	0	113.4	S25 D30 E31	S25-E27 PolarHBondContact O-N 2.94Å; E27-D30 CarbonylContact O-C 3.6Å; E27-D30 PolarHBondContact O-N 2.97Å; E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 2.93Å
28	K	73.7	Confident	68.2	Low	94 Å²	94	71.5 Å²	71.5	41%	0.409	36%	0.358	S	S	.	.	H	α-helix	trans	-70.3	-36.1	-178.8	-69.2	-49.8	-174.5	-165.4	0	113.3	Y23 S25 D30 E31 A32	Y23-K28 WeakPolarHBondContact O-CB 3.39Å; S25-K28 PolarHBondContact O-N 3.39Å; K28-D30 VanDerWaalsContact C-N 3.31Å; K28-E31 VanDerWaalsContact CD-OE2 3.32Å; K28-E31 WeakPolarHBondContact CD-OE2 3.25Å; K28-E31 IonicContact NZ-OE1 2.84Å; K28-E31 PolarHBondContact NZ-OE1 3.17Å; K28-E31 IonicContact NZ-OE2 2.8Å; K28-E31 PolarHBondContact NZ-OE2 3.4Å; K28-E31 PolarHBondContact O-N 3.28Å; K28-A32 WeakPolarHBondContact O-CB 3.46Å; K28-A32 PolarHBondContact O-N 3.13Å
29	V	72.8	Confident	68.8	Low	5 Å²	5	72.3 Å²	72.3	3%	0.03	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-38.2	172.6	-172	0	0	0	0	110.5	F24 S25 A32 A33 R74 I77 L78	F24-V29 HydrophobicContact CB-CG2 4.44Å; S25-V29 PolarHBondContact O-N 3.44Å; V29-A32 PolarHBondContact O-N 3.41Å; V29-A33 VanDerWaalsContact O-CB 3.29Å; V29-A33 WeakPolarHBondContact O-CB 3.48Å; V29-A33 PolarHBondContact O-N 3.23Å; V29-R74 HydrophobicContact CG1-CB 4.13Å; V29-R74 HydrophobicContact CG1-CG 3.66Å; V29-I77 HydrophobicContact CG1-CG2 4.34Å; V29-L78 HydrophobicContact CG1-CD2 4.49Å; V29-L78 HydrophobicContact CG1-CG 4.4Å; V29-L78 HydrophobicContact CG2-CD2 4.42Å
30	D	74.8	Confident	69.3	Low	45 Å²	45	71 Å²	71	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-36.7	176.4	-69.5	-28.7	0	0	0	111.9	S26 E27 K28 E34 K70 R74	S26-D30 VanDerWaalsContact O-CB 3.25Å; S26-D30 WeakPolarHBondContact O-CB 3.19Å; S26-D30 PolarHBondContact O-N 2.92Å; S26-D30 PolarHBondContact OG-OD2 2.97Å; E27-D30 CarbonylContact O-C 3.6Å; E27-D30 PolarHBondContact O-N 2.97Å; K28-D30 VanDerWaalsContact C-N 3.31Å; D30-E34 VanDerWaalsContact O-CB 3.23Å; D30-E34 WeakPolarHBondContact O-CB 3.31Å; D30-E34 PolarHBondContact O-N 3.38Å; D30-K70 WeakPolarHBondContact O-CE 3.45Å; D30-K70 PolarHBondContact O-NZ 3.19Å; D30-R74 WeakPolarHBondContact OD1-CD 3.16Å; D30-R74 IonicContact OD1-CZ 3.86Å; D30-R74 IonicContact OD1-NH1 3.2Å; D30-R74 PolarHBondContact OD1-NH1 2.6Å; D30-R74 IonicContact OD2-NH1 3.92Å; D30-R74 PolarHBondContact OD2-NH1 3.19Å
31	E	79.5	Confident	69.6	Low	93 Å²	93	71.9 Å²	71.9	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-44.1	170.8	-76.9	177.2	-161.3	0	0	111.9	E27 K28 E34 H35	E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 2.93Å; K28-E31 VanDerWaalsContact CD-OE2 3.32Å; K28-E31 WeakPolarHBondContact CD-OE2 3.25Å; K28-E31 IonicContact NZ-OE1 2.84Å; K28-E31 PolarHBondContact NZ-OE1 3.17Å; K28-E31 IonicContact NZ-OE2 2.8Å; K28-E31 PolarHBondContact NZ-OE2 3.4Å; K28-E31 PolarHBondContact O-N 3.28Å; E31-E34 WeakPolarHBondContact O-CB 3.24Å; E31-E34 PolarHBondContact O-N 2.83Å; E31-H35 PolarHBondContact O-N 3.45Å
32	A	78.2	Confident	69.4	Low	38 Å²	38	70 Å²	70	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-42.2	178.1	0	0	0	0	0	111.6	K28 V29 E34 H35 C36 I77	K28-A32 WeakPolarHBondContact O-CB 3.46Å; K28-A32 PolarHBondContact O-N 3.13Å; V29-A32 PolarHBondContact O-N 3.41Å; A32-E34 VanDerWaalsContact C-N 3.34Å; A32-E34 PolarHBondContact O-N 2.81Å; A32-H35 PolarHBondContact O-N 3.48Å; A32-C36 PolarHBondContact O-N 2.96Å; A32-C36 PolarHBondContact O-SG 3.39Å; A32-C36 VanDerWaalsContact O-SG 3.37Å; A32-I77 HydrophobicContact CB-CD1 3.78Å
33	A	78.3	Confident	69.1	Low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-41.7	175.6	0	0	0	0	0	112	V29 H35 C36 L37 K70 W73 R74 I77	V29-A33 VanDerWaalsContact O-CB 3.29Å; V29-A33 WeakPolarHBondContact O-CB 3.48Å; V29-A33 PolarHBondContact O-N 3.23Å; A33-H35 VanDerWaalsContact C-N 3.35Å; A33-C36 PolarHBondContact O-N 2.96Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.49Å; A33-K70 HydrophobicContact CB-CG 4.02Å; A33-W73 HydrophobicContact CB-CB 3.72Å; A33-R74 HydrophobicContact CB-CB 4.33Å; A33-I77 HydrophobicContact CB-CD1 4.21Å
34	E	79	Confident	68.9	Low	36 Å²	36	63.3 Å²	63.3	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-47.6	172.1	-177.9	77	-153.4	0	0	111.5	D30 E31 A32 L37 R38 Y66 K70	D30-E34 VanDerWaalsContact O-CB 3.23Å; D30-E34 WeakPolarHBondContact O-CB 3.31Å; D30-E34 PolarHBondContact O-N 3.38Å; E31-E34 WeakPolarHBondContact O-CB 3.24Å; E31-E34 PolarHBondContact O-N 2.83Å; A32-E34 VanDerWaalsContact C-N 3.34Å; A32-E34 PolarHBondContact O-N 2.81Å; E34-L37 PolarHBondContact O-N 2.88Å; E34-R38 VanDerWaalsContact CG-NH2 3.32Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.13Å; E34-R38 IonicContact OE1-CZ 3.38Å; E34-R38 IonicContact OE1-NE 2.88Å; E34-R38 PolarHBondContact OE1-NE 2.91Å; E34-R38 VanDerWaalsContact OE1-NE 3.13Å; E34-R38 IonicContact OE1-NH2 3.45Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; E34-Y66 PolarHBondContact OE1-OH 2.98Å; E34-Y66 PolarHBondContact OE2-OH 3.2Å; E34-K70 IonicContact OE2-NZ 2.9Å; E34-K70 PolarHBondContact OE2-NZ 3.02Å
35	H	80.7	Confident	68.1	Low	117 Å²	117	66.8 Å²	66.8	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-44.6	179.3	-174.5	-91.1	0	0	0	112	E31 A32 A33 L37 R38 L39	E31-H35 PolarHBondContact O-N 3.45Å; A32-H35 PolarHBondContact O-N 3.48Å; A33-H35 VanDerWaalsContact C-N 3.35Å; H35-L37 PolarHBondContact O-N 2.88Å; H35-R38 PolarHBondContact O-N 3.37Å; H35-L39 WeakPolarHBondContact O-CB 3.29Å; H35-L39 PolarHBondContact O-N 2.92Å
36	C	75.2	Confident	67.1	Low	31 Å²	31	70.2 Å²	70.2	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.7	-70.5	0	0	0	0	112.2	A32 A33 R38 L39 I40 W73	A32-C36 PolarHBondContact O-N 2.96Å; A32-C36 PolarHBondContact O-SG 3.39Å; A32-C36 VanDerWaalsContact O-SG 3.37Å; A33-C36 PolarHBondContact O-N 2.96Å; C36-R38 PolarHBondContact O-N 3.43Å; C36-L39 PolarHBondContact O-N 2.8Å; C36-I40 PolarHBondContact O-N 3.39Å; C36-W73 HydrophobicContact CB-CD2 3.45Å; C36-W73 VanDerWaalsContact CB-CD2 3.45Å; C36-W73 HydrophobicContact CB-CE3 3.34Å; C36-W73 HydrophobicContact CB-CG 3.97Å; C36-W73 HydrophobicContact CB-CZ3 3.87Å
37	L	72.9	Confident	66	Low	19 Å²	19	68.9 Å²	68.9	10%	0.099	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-43	177.9	-170.1	150.7	0	0	0	111.3	A33 E34 H35 G41 Y66 R69 K70	A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.49Å; E34-L37 PolarHBondContact O-N 2.88Å; H35-L37 PolarHBondContact O-N 2.88Å; L37-G41 PolarHBondContact O-N 2.89Å; L37-Y66 HydrophobicContact CD1-CD2 4.3Å; L37-Y66 HydrophobicContact CD1-CE2 4.09Å; L37-Y66 HydrophobicContact CD2-CD2 3.96Å; L37-Y66 HydrophobicContact CD2-CE2 3.34Å; L37-Y66 HydrophobicContact CG-CE2 4.38Å; L37-R69 HydrophobicContact CD1-CB 3.56Å; L37-K70 HydrophobicContact CD1-CB 4.45Å
38	R	75.3	Confident	64.3	Low	154 Å²	154	72.4 Å²	72.4	58%	0.581	37%	0.371	S	S	*	.	H	α-helix	trans	-62.8	-41.6	173.2	-71	177.9	-162.6	178.8	6.7	112	E34 H35 C36 G41 S42	E34-R38 VanDerWaalsContact CG-NH2 3.32Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.13Å; E34-R38 IonicContact OE1-CZ 3.38Å; E34-R38 IonicContact OE1-NE 2.88Å; E34-R38 PolarHBondContact OE1-NE 2.91Å; E34-R38 VanDerWaalsContact OE1-NE 3.13Å; E34-R38 IonicContact OE1-NH2 3.45Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; H35-R38 PolarHBondContact O-N 3.37Å; C36-R38 PolarHBondContact O-N 3.43Å; R38-G41 CarbonylContact O-C 3.51Å; R38-G41 PolarHBondContact O-N 3.43Å; R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.3Å; R38-S42 PolarHBondContact O-N 3.09Å; R38-S42 PolarHBondContact O-OG 3.42Å
39	L	71	Confident	62.9	Low	72 Å²	72	75.4 Å²	75.4	38%	0.377	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-37.4	-177	-157.2	124	0	0	0	112.2	H35 C36 S42 K43	H35-L39 WeakPolarHBondContact O-CB 3.29Å; H35-L39 PolarHBondContact O-N 2.92Å; C36-L39 PolarHBondContact O-N 2.8Å; L39-S42 WeakPolarHBondContact CA-OG 3.37Å; L39-S42 PolarHBondContact O-OG 2.82Å; L39-K43 HydrophobicContact CD2-CD 4.34Å; L39-K43 WeakPolarHBondContact O-CB 3.49Å; L39-K43 WeakPolarHBondContact O-CG 3.16Å; L39-K43 PolarHBondContact O-N 2.88Å
40	I	65.4	Low	61.4	Low	63 Å²	63	79 Å²	79	32%	0.323	41%	0.411	S	S	.	.	H	α-helix	trans	-74.8	-43.8	174.2	-68.8	176.8	0	0	0	111.1	C36 S42 K43 T44 W73	C36-I40 PolarHBondContact O-N 3.39Å; I40-S42 PolarHBondContact O-N 2.9Å; I40-K43 PolarHBondContact O-N 3.31Å; I40-T44 PolarHBondContact O-N 3.47Å; I40-W73 HydrophobicContact CD1-CH2 3.59Å; I40-W73 HydrophobicContact CD1-CZ2 2.97Å; I40-W73 HydrophobicContact CG1-CZ2 4.34Å
41	G	59.1	Low	60.3	Low	44 Å²	44	82 Å²	82	45%	0.454	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-22.5	174.6	0	0	0	0	0	114	L37 R38 T44	L37-G41 PolarHBondContact O-N 2.89Å; R38-G41 CarbonylContact O-C 3.51Å; R38-G41 PolarHBondContact O-N 3.43Å; G41-T44 PolarHBondContact O-OG1 2.9Å
42	S	54.2	Low	58.8	Low	61 Å²	61	85 Å²	85	43%	0.427	45%	0.452	S	S	.	.	H	α-helix	trans	-91.7	-28	174.2	45.2	0	0	0	0	113.1	R38 L39 I40 T44 I45	R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.3Å; R38-S42 PolarHBondContact O-N 3.09Å; R38-S42 PolarHBondContact O-OG 3.42Å; L39-S42 WeakPolarHBondContact CA-OG 3.37Å; L39-S42 PolarHBondContact O-OG 2.82Å; I40-S42 PolarHBondContact O-N 2.9Å; S42-T44 VanDerWaalsContact C-N 3.31Å; S42-T44 PolarHBondContact O-N 3.44Å; S42-I45 WeakPolarHBondContact O-CB 3.38Å; S42-I45 PolarHBondContact O-N 3.18Å; S42-I45 VanDerWaalsContact O-N 3.12Å
43	K	49.1	Very low	57.1	Low	99 Å²	99	90 Å²	90	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-26	173.6	-82.6	-177.4	176.9	-175.9	0	113.9	L39 I40 I45 V46 S47	L39-K43 HydrophobicContact CD2-CD 4.34Å; L39-K43 WeakPolarHBondContact O-CB 3.49Å; L39-K43 WeakPolarHBondContact O-CG 3.16Å; L39-K43 PolarHBondContact O-N 2.88Å; I40-K43 PolarHBondContact O-N 3.31Å; K43-I45 PolarHBondContact O-N 2.91Å; K43-V46 PolarHBondContact O-N 3.18Å; K43-V46 VanDerWaalsContact O-N 3.11Å; K43-S47 PolarHBondContact O-N 3.21Å
44	T	47.2	Very low	55.2	Low	63 Å²	63	93.4 Å²	93.4	39%	0.387	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-24.2	170.2	46.4	0	0	0	0	112.6	I40 G41 S42	I40-T44 PolarHBondContact O-N 3.47Å; G41-T44 PolarHBondContact O-OG1 2.9Å; S42-T44 VanDerWaalsContact C-N 3.31Å; S42-T44 PolarHBondContact O-N 3.44Å
45	I	40.4	Very low	53.5	Low	127 Å²	127	99.5 Å²	99.5	65%	0.651	52%	0.516	S	S	*	.	H	α-helix	trans	-76.9	-35.8	176.5	-55.1	177.1	0	0	0	111.2	S42 K43	S42-I45 WeakPolarHBondContact O-CB 3.38Å; S42-I45 PolarHBondContact O-N 3.18Å; S42-I45 VanDerWaalsContact O-N 3.12Å; K43-I45 PolarHBondContact O-N 2.91Å
46	V	40.4	Very low	51.7	Low	118 Å²	118	101.7 Å²	101.7	72%	0.715	53%	0.526	S	S	*	.	H	α-helix	trans	-83.8	-23.9	-174.6	-170.9	0	0	0	0	112.4	K43 R48	K43-V46 PolarHBondContact O-N 3.18Å; K43-V46 VanDerWaalsContact O-N 3.11Å; V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.96Å
47	S	43.7	Very low	50.3	Low	29 Å²	29	105.4 Å²	105.4	20%	0.203	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-80	5.4	179.5	-170.1	0	0	0	0	115	K43 N49 N50	K43-S47 PolarHBondContact O-N 3.21Å; S47-N49 PolarHBondContact O-N 2.91Å; S47-N49 VanDerWaalsContact O-N 3.1Å; S47-N50 PolarHBondContact O-N 2.72Å
48	R	39.9	Very low	48.9	Very low	213 Å²	213	107.1 Å²	107.1	80%	0.804	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-60.8	-16	170.8	-87.7	-172	175.5	-170.8	-0.5	113.4	V46	V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.96Å
49	N	44	Very low	47.4	Very low	156 Å²	156	106.3 Å²	106.3	83%	0.834	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-94	7.2	-179.1	-69	-4.7	0	0	0	114.8	S47	S47-N49 PolarHBondContact O-N 2.91Å; S47-N49 VanDerWaalsContact O-N 3.1Å
50	N	41.7	Very low	46.5	Very low	80 Å²	80	108.9 Å²	108.9	43%	0.428	57%	0.567	S	S	.	*			trans	-133.7	104.3	170.8	-165.5	-12.3	0	0	0	111.7	S47 N52 Y53	S47-N50 PolarHBondContact O-N 2.72Å; N50-N52 PolarHBondContact O-N 2.86Å; N50-N52 PolarHBondContact OD1-N 2.98Å; N50-Y53 PolarHBondContact O-N 2.84Å
51	P	51.1	Low	45.7	Very low	110 Å²	110	107.1 Å²	107.1	71%	0.714	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-64.2	-21.8	-177.3	24	-31.5	0	0	0	113.5	Y53	P51-Y53 VanDerWaalsContact C-N 3.32Å; P51-Y53 PolarHBondContact O-N 3.44Å
52	N	47.7	Very low	45.6	Very low	156 Å²	156	109.8 Å²	109.8	83%	0.834	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-81	-6.1	-179.9	-84.5	-6.2	0	0	0	114.5	N50	N50-N52 PolarHBondContact O-N 2.86Å; N50-N52 PolarHBondContact OD1-N 2.98Å
53	Y	42.3	Very low	46.1	Very low	141 Å²	141	111.1 Å²	111.1	55%	0.553	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-92.3	-10.7	-179.8	-137.3	-96.2	0	0	0	113.5	N50 P51	N50-Y53 PolarHBondContact O-N 2.84Å; P51-Y53 VanDerWaalsContact C-N 3.32Å; P51-Y53 PolarHBondContact O-N 3.44Å
54	N	39.4	Very low	46.6	Very low	73 Å²	73	109 Å²	109	39%	0.39	57%	0.569	S	S	.	*	S	Bend	trans	-85.9	-16.7	-160.8	-89.7	-23	0	0	0	117
55	N	42.9	Very low	47.8	Very low	163 Å²	163	109.5 Å²	109.5	87%	0.872	58%	0.575	S	S	*	*	S	Bend	trans	-106.5	-6.4	-162.6	-94.4	-0.6	0	0	0	118.1
56	H	43.5	Very low	49.3	Very low	164 Å²	164	108 Å²	108	76%	0.759	56%	0.562	S	S	*	*	S	Bend	trans	-116.1	-10.4	-177.2	-148.2	-60.9	0	0	0	115.1
57	Y	46	Very low	50.6	Low	108 Å²	108	107.4 Å²	107.4	42%	0.424	56%	0.558	S	S	.	*	S	Bend	trans	-112.5	-12.9	-167.2	-77	-85.6	0	0	0	115.8	N100	Y57-N100 HydrophobicContact CE1-CB 4.48Å
58	N	42	Very low	51.9	Low	55 Å²	55	107.5 Å²	107.5	29%	0.294	56%	0.561	S	S	.	*	S	Bend	trans	-109.4	-7.8	-161.3	-75.1	-36.8	0	0	0	117.4	N62	N58-N62 PolarHBondContact O-ND2 2.88Å; N58-N62 VanDerWaalsContact O-ND2 3.14Å
59	N	45.1	Very low	53.2	Low	138 Å²	138	100 Å²	100	74%	0.738	53%	0.533	S	S	*	.	H	α-helix	trans	-84.5	-39	-169.4	-80.7	-5.7	0	0	0	114.1
60	D	50.9	Low	54.4	Low	125 Å²	125	94.8 Å²	94.8	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-84.5	-30.5	-169.4	-61.4	-25.2	0	0	0	113.8
61	E	50.2	Low	55.8	Low	26 Å²	26	96.6 Å²	96.6	12%	0.121	51%	0.512	C	S	.	.	H	α-helix	trans	-75.2	-37.7	-179.5	-69.4	-139.7	123.5	0	0	113	A63 L64 R69 Y99	E61-A63 PolarHBondContact O-N 3Å; E61-L64 WeakPolarHBondContact O-CB 3.38Å; E61-L64 PolarHBondContact O-N 2.79Å; E61-L64 VanDerWaalsContact O-N 3.16Å; E61-R69 VanDerWaalsContact O-CD 3.25Å; E61-R69 WeakPolarHBondContact O-CD 3.18Å; E61-Y99 WeakPolarHBondContact OE1-CE1 3.27Å
62	N	56.9	Low	56.7	Low	101 Å²	101	94.9 Å²	94.9	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-72.4	-19.2	-177.5	-74.2	-34.8	0	0	0	113	N58 L64	N58-N62 PolarHBondContact O-ND2 2.88Å; N58-N62 VanDerWaalsContact O-ND2 3.14Å; N62-L64 PolarHBondContact O-N 2.89Å
63	A	63.4	Low	58.1	Low	88 Å²	88	87.9 Å²	87.9	73%	0.727	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.9	172.7	0	0	0	0	0	112.8	E61	E61-A63 PolarHBondContact O-N 3Å
64	L	60.6	Low	59.6	Low	56 Å²	56	84.6 Å²	84.6	29%	0.293	44%	0.441	S	S	.	.	S	Bend	trans	-85.1	143.1	-178.3	-66.4	169.2	0	0	0	111.9	E61 N62 A68 R69 K72	E61-L64 WeakPolarHBondContact O-CB 3.38Å; E61-L64 PolarHBondContact O-N 2.79Å; E61-L64 VanDerWaalsContact O-N 3.16Å; N62-L64 PolarHBondContact O-N 2.89Å; L64-A68 HydrophobicContact CB-CB 4.21Å; L64-R69 HydrophobicContact CB-CG 3.98Å; L64-R69 PolarHBondContact O-NE 3.19Å; L64-K72 HydrophobicContact CD1-CD 3.86Å
65	S	71.6	Confident	61.2	Low	73 Å²	73	86.9 Å²	86.9	51%	0.51	45%	0.449	S	S	.	.			trans	-55.7	151.1	172	73.3	0	0	0	0	110.8	T67 A68 R69	S65-T67 PolarHBondContact O-N 3.38Å; S65-A68 WeakPolarHBondContact O-CB 3.44Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-A68 WeakPolarHBondContact OG-CB 3.35Å; S65-A68 PolarHBondContact OG-N 2.96Å; S65-R69 PolarHBondContact O-N 3.44Å
66	Y	72.7	Confident	62.5	Low	94 Å²	94	79.7 Å²	79.7	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-52.3	-44.8	178.8	-179.1	-85.7	0	0	0	112	E34 L37 A68 R69 K70	E34-Y66 PolarHBondContact OE1-OH 2.98Å; E34-Y66 PolarHBondContact OE2-OH 3.2Å; L37-Y66 HydrophobicContact CD1-CD2 4.3Å; L37-Y66 HydrophobicContact CD1-CE2 4.09Å; L37-Y66 HydrophobicContact CD2-CD2 3.96Å; L37-Y66 HydrophobicContact CD2-CE2 3.34Å; L37-Y66 HydrophobicContact CG-CE2 4.38Å; Y66-A68 PolarHBondContact O-N 3.43Å; Y66-R69 PolarHBondContact O-N 2.73Å; Y66-K70 HydrophobicContact CE1-CD 4.4Å; Y66-K70 PolarHBondContact O-N 2.97Å
67	T	67.2	Low	64	Low	106 Å²	106	73 Å²	73	65%	0.65	38%	0.381	S	S	*	.	H	α-helix	trans	-61.8	-40.9	177.1	-47.1	0	0	0	0	112.2	S65 K70 L71	S65-T67 PolarHBondContact O-N 3.38Å; T67-K70 PolarHBondContact O-N 3.29Å; T67-L71 WeakPolarHBondContact O-CB 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å
68	A	69.9	Low	65.4	Low	31 Å²	31	70.6 Å²	70.6	26%	0.256	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.1	0	0	0	0	0	111.9	L64 S65 Y66 L71 K72	L64-A68 HydrophobicContact CB-CB 4.21Å; S65-A68 WeakPolarHBondContact O-CB 3.44Å; S65-A68 PolarHBondContact O-N 3.45Å; S65-A68 WeakPolarHBondContact OG-CB 3.35Å; S65-A68 PolarHBondContact OG-N 2.96Å; Y66-A68 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 3.41Å; A68-K72 WeakPolarHBondContact O-CG 3.5Å; A68-K72 PolarHBondContact O-N 2.99Å
69	R	68	Low	66.9	Low	55 Å²	55	72.5 Å²	72.5	21%	0.208	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-42.7	173.4	-74.2	-175.8	-83.6	170	0.7	112.3	L37 E61 L64 S65 Y66 K72 W73	L37-R69 HydrophobicContact CD1-CB 3.56Å; E61-R69 VanDerWaalsContact O-CD 3.25Å; E61-R69 WeakPolarHBondContact O-CD 3.18Å; L64-R69 HydrophobicContact CB-CG 3.98Å; L64-R69 PolarHBondContact O-NE 3.19Å; S65-R69 PolarHBondContact O-N 3.44Å; Y66-R69 PolarHBondContact O-N 2.73Å; R69-K72 WeakPolarHBondContact O-CB 3.32Å; R69-K72 PolarHBondContact O-N 3Å; R69-W73 VanDerWaalsContact O-CD1 3.3Å; R69-W73 PolarHBondContact O-N 3.38Å
70	K	70.3	Confident	68	Low	48 Å²	48	67 Å²	67	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-44.1	175.6	-173.3	170.2	-176.4	156.8	0	111.6	D30 A33 E34 L37 Y66 T67 K72 W73 R74	D30-K70 WeakPolarHBondContact O-CE 3.45Å; D30-K70 PolarHBondContact O-NZ 3.19Å; A33-K70 HydrophobicContact CB-CG 4.02Å; E34-K70 IonicContact OE2-NZ 2.9Å; E34-K70 PolarHBondContact OE2-NZ 3.02Å; L37-K70 HydrophobicContact CD1-CB 4.45Å; Y66-K70 HydrophobicContact CE1-CD 4.4Å; Y66-K70 PolarHBondContact O-N 2.97Å; T67-K70 PolarHBondContact O-N 3.29Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 3.1Å; K70-W73 PolarHBondContact O-N 3.43Å; K70-R74 PolarHBondContact O-N 3.04Å
71	L	69.6	Low	68.9	Low	117 Å²	117	63.3 Å²	63.3	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-40.1	176.3	-175.1	65.1	0	0	0	112.1	T67 A68 R74 H75	T67-L71 WeakPolarHBondContact O-CB 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å; A68-L71 PolarHBondContact O-N 3.41Å; L71-R74 WeakPolarHBondContact O-CB 3.48Å; L71-R74 PolarHBondContact O-N 3.19Å; L71-H75 PolarHBondContact O-N 2.84Å
72	K	71.8	Confident	69.8	Low	74 Å²	74	64.9 Å²	64.9	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-52.8	173	-81.7	-173.2	171.4	-165.6	0	111.5	L64 A68 R69 K70 R74 H75 C76	L64-K72 HydrophobicContact CD1-CD 3.86Å; A68-K72 WeakPolarHBondContact O-CG 3.5Å; A68-K72 PolarHBondContact O-N 2.99Å; R69-K72 WeakPolarHBondContact O-CB 3.32Å; R69-K72 PolarHBondContact O-N 3Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 3.1Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 3.11Å; K72-H75 WeakPolarHBondContact O-CB 3.44Å; K72-H75 PolarHBondContact O-N 3.42Å; K72-C76 PolarHBondContact O-N 3.47Å; K72-C76 VanDerWaalsContact O-N 3.1Å; K72-C76 PolarHBondContact O-SG 2.94Å
73	W	75.2	Confident	70.2	Confident	10 Å²	10	64 Å²	64	4%	0.038	33%	0.33	C	S	.	.	H	α-helix	trans	-56.3	-43.3	177.1	-85.4	103.3	0	0	0	113	A33 C36 I40 R69 K70 H75 C76 I77 L96 Y99	A33-W73 HydrophobicContact CB-CB 3.72Å; C36-W73 HydrophobicContact CB-CD2 3.45Å; C36-W73 VanDerWaalsContact CB-CD2 3.45Å; C36-W73 HydrophobicContact CB-CE3 3.34Å; C36-W73 HydrophobicContact CB-CG 3.97Å; C36-W73 HydrophobicContact CB-CZ3 3.87Å; I40-W73 HydrophobicContact CD1-CH2 3.59Å; I40-W73 HydrophobicContact CD1-CZ2 2.97Å; I40-W73 HydrophobicContact CG1-CZ2 4.34Å; R69-W73 VanDerWaalsContact O-CD1 3.3Å; R69-W73 PolarHBondContact O-N 3.38Å; K70-W73 PolarHBondContact O-N 3.43Å; W73-H75 VanDerWaalsContact C-N 3.34Å; W73-H75 PolarHBondContact O-N 3.18Å; W73-C76 PolarHBondContact O-N 2.94Å; W73-I77 WeakPolarHBondContact O-CD1 3.35Å; W73-I77 VanDerWaalsContact O-CG1 3.3Å; W73-I77 WeakPolarHBondContact O-CG1 3.36Å; W73-I77 PolarHBondContact O-N 2.8Å; W73-L96 HydrophobicContact CZ3-CD2 4.16Å; W73-Y99 HydrophobicContact CH2-CD1 4.35Å; W73-Y99 HydrophobicContact CZ2-CD1 4.15Å; W73-Y99 HydrophobicContact CZ2-CE1 4.14Å
74	R	73.8	Confident	70.3	Confident	71 Å²	71	62.9 Å²	62.9	27%	0.268	31%	0.311	S	S	.	.	H	α-helix	trans	-55.7	-47.6	173.7	167.8	162.8	-178.4	172.7	1.3	111.8	S26 V29 D30 A33 K70 L71 K72 C76 I77 L78	S26-R74 PolarHBondContact OG-NH1 3.46Å; S26-R74 PolarHBondContact OG-NH2 3.32Å; V29-R74 HydrophobicContact CG1-CB 4.13Å; V29-R74 HydrophobicContact CG1-CG 3.66Å; D30-R74 WeakPolarHBondContact OD1-CD 3.16Å; D30-R74 IonicContact OD1-CZ 3.86Å; D30-R74 IonicContact OD1-NH1 3.2Å; D30-R74 PolarHBondContact OD1-NH1 2.6Å; D30-R74 IonicContact OD2-NH1 3.92Å; D30-R74 PolarHBondContact OD2-NH1 3.19Å; A33-R74 HydrophobicContact CB-CB 4.33Å; K70-R74 PolarHBondContact O-N 3.04Å; L71-R74 WeakPolarHBondContact O-CB 3.48Å; L71-R74 PolarHBondContact O-N 3.19Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 3.11Å; R74-C76 VanDerWaalsContact C-N 3.3Å; R74-C76 PolarHBondContact O-N 3.01Å; R74-I77 PolarHBondContact O-N 3.19Å; R74-L78 HydrophobicContact CG-CD1 4.08Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.12Å; R74-L78 VanDerWaalsContact O-N 3.09Å
75	H	73	Confident	70.3	Confident	121 Å²	121	62.6 Å²	62.6	56%	0.56	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-39.1	177.9	-175.7	79.9	0	0	0	112.6	L71 K72 W73 L78 K79	L71-H75 PolarHBondContact O-N 2.84Å; K72-H75 WeakPolarHBondContact O-CB 3.44Å; K72-H75 PolarHBondContact O-N 3.42Å; W73-H75 VanDerWaalsContact C-N 3.34Å; W73-H75 PolarHBondContact O-N 3.18Å; H75-L78 PolarHBondContact O-N 3.23Å; H75-K79 WeakPolarHBondContact O-CB 3Å; H75-K79 PolarHBondContact O-N 3.44Å
76	C	70.7	Confident	70	Confident	13 Å²	13	63.8 Å²	63.8	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-45.2	-179.8	-53.6	0	0	0	0	112.7	K72 W73 R74 L78 K79 E80 Y99	K72-C76 PolarHBondContact O-N 3.47Å; K72-C76 VanDerWaalsContact O-N 3.1Å; K72-C76 PolarHBondContact O-SG 2.94Å; W73-C76 PolarHBondContact O-N 2.94Å; R74-C76 VanDerWaalsContact C-N 3.3Å; R74-C76 PolarHBondContact O-N 3.01Å; C76-L78 VanDerWaalsContact C-N 3.27Å; C76-L78 PolarHBondContact O-N 3.1Å; C76-K79 PolarHBondContact O-N 3.44Å; C76-E80 PolarHBondContact O-N 3.08Å; C76-Y99 HydrophobicContact CB-CE2 4.26Å; C76-Y99 WeakPolarHBondContact SG-CE2 3.49Å; C76-Y99 VanDerWaalsContact SG-CZ 3.55Å
77	I	75.5	Confident	69.4	Low	22 Å²	22	62.6 Å²	62.6	11%	0.113	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-48	176.1	-68.3	162.8	0	0	0	108.8	V29 A32 A33 W73 R74 K79 E80 L81	V29-I77 HydrophobicContact CG1-CG2 4.34Å; A32-I77 HydrophobicContact CB-CD1 3.78Å; A33-I77 HydrophobicContact CB-CD1 4.21Å; W73-I77 WeakPolarHBondContact O-CD1 3.35Å; W73-I77 VanDerWaalsContact O-CG1 3.3Å; W73-I77 WeakPolarHBondContact O-CG1 3.36Å; W73-I77 PolarHBondContact O-N 2.8Å; R74-I77 PolarHBondContact O-N 3.19Å; I77-K79 PolarHBondContact O-N 3.06Å; I77-E80 PolarHBondContact O-N 3.16Å; I77-L81 HydrophobicContact CG2-CD1 3.62Å; I77-L81 HydrophobicContact CG2-CG 4.31Å; I77-L81 WeakPolarHBondContact O-CB 3.23Å; I77-L81 WeakPolarHBondContact O-CD1 3.41Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.43Å
78	L	74.3	Confident	69	Low	59 Å²	59	63 Å²	63	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-41.5	177.4	-67.3	173.6	0	0	0	112.8	F24 V29 R74 H75 C76 D82	F24-L78 HydrophobicContact CD1-CD2 3.18Å; F24-L78 HydrophobicContact CE1-CD2 3.5Å; F24-L78 HydrophobicContact CG-CD2 4.25Å; V29-L78 HydrophobicContact CG1-CD2 4.49Å; V29-L78 HydrophobicContact CG1-CG 4.4Å; V29-L78 HydrophobicContact CG2-CD2 4.42Å; R74-L78 HydrophobicContact CG-CD1 4.08Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.12Å; R74-L78 VanDerWaalsContact O-N 3.09Å; H75-L78 PolarHBondContact O-N 3.23Å; C76-L78 VanDerWaalsContact C-N 3.27Å; C76-L78 PolarHBondContact O-N 3.1Å; L78-D82 WeakPolarHBondContact O-CB 3.45Å; L78-D82 PolarHBondContact O-N 3.28Å
79	K	73.8	Confident	68.1	Low	95 Å²	95	67.4 Å²	67.4	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-43.8	178.2	-175.3	-178.6	178	-175.5	0	112.5	H75 C76 I77 D82 R83	H75-K79 WeakPolarHBondContact O-CB 3Å; H75-K79 PolarHBondContact O-N 3.44Å; C76-K79 PolarHBondContact O-N 3.44Å; I77-K79 PolarHBondContact O-N 3.06Å; K79-D82 PolarHBondContact O-N 3.43Å; K79-R83 WeakPolarHBondContact O-CG 3.49Å; K79-R83 PolarHBondContact O-N 3.45Å
80	E	69.8	Low	67.4	Low	22 Å²	22	69.6 Å²	69.6	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-69.4	-38.2	177.8	-71.9	-64.6	112.5	0	0	111.3	C76 I77 R83 I84 W91 S95 L96	C76-E80 PolarHBondContact O-N 3.08Å; I77-E80 PolarHBondContact O-N 3.16Å; E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.37Å; E80-R83 VanDerWaalsContact OE1-CD 3.23Å; E80-R83 WeakPolarHBondContact OE1-CD 3.31Å; E80-R83 IonicContact OE1-CZ 3.75Å; E80-R83 IonicContact OE1-NE 3.92Å; E80-R83 IonicContact OE1-NH1 2.8Å; E80-R83 PolarHBondContact OE1-NH1 3.11Å; E80-I84 VanDerWaalsContact O-CG1 3.31Å; E80-I84 WeakPolarHBondContact O-CG1 3.49Å; E80-I84 PolarHBondContact O-N 3.26Å; E80-W91 HydrophobicContact CB-CZ3 4.33Å; E80-S95 PolarHBondContact OE2-OG 3.29Å; E80-L96 HydrophobicContact CG-CD2 4.48Å
81	L	69.3	Low	66.3	Low	47 Å²	47	74 Å²	74	25%	0.246	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-40.8	173.7	-66.6	167.2	0	0	0	111.8	F24 I77 R83 I84 N85	F24-L81 HydrophobicContact CD1-CD1 4.48Å; F24-L81 HydrophobicContact CD2-CD1 4.23Å; F24-L81 HydrophobicContact CE1-CB 3.96Å; F24-L81 HydrophobicContact CE1-CD1 3.87Å; F24-L81 HydrophobicContact CE2-CB 4.11Å; F24-L81 HydrophobicContact CE2-CD1 3.65Å; F24-L81 HydrophobicContact CE2-CG 4.33Å; F24-L81 HydrophobicContact CZ-CB 3.35Å; F24-L81 HydrophobicContact CZ-CD1 3.5Å; F24-L81 HydrophobicContact CZ-CG 3.98Å; I77-L81 HydrophobicContact CG2-CD1 3.62Å; I77-L81 HydrophobicContact CG2-CG 4.31Å; I77-L81 WeakPolarHBondContact O-CB 3.23Å; I77-L81 WeakPolarHBondContact O-CD1 3.41Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.43Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 3.33Å; L81-I84 HydrophobicContact CD2-CD1 4.23Å; L81-I84 PolarHBondContact O-N 3.26Å; L81-N85 WeakPolarHBondContact O-CB 3.42Å; L81-N85 PolarHBondContact O-N 2.92Å
82	D	68.4	Low	65.5	Low	60 Å²	60	72.5 Å²	72.5	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-40.1	172	-176.8	46.5	0	0	0	111.3	L78 K79 N85 R86	L78-D82 WeakPolarHBondContact O-CB 3.45Å; L78-D82 PolarHBondContact O-N 3.28Å; K79-D82 PolarHBondContact O-N 3.43Å; D82-N85 PolarHBondContact O-N 2.99Å; D82-R86 VanDerWaalsContact CG-NE 3.34Å; D82-R86 VanDerWaalsContact O-CG 3.27Å; D82-R86 WeakPolarHBondContact O-CG 3.42Å; D82-R86 PolarHBondContact O-N 3.04Å; D82-R86 IonicContact OD1-CZ 3.13Å; D82-R86 IonicContact OD1-NE 2.8Å; D82-R86 PolarHBondContact OD1-NE 3.32Å; D82-R86 IonicContact OD1-NH2 2.88Å; D82-R86 IonicContact OD2-CZ 3.72Å; D82-R86 IonicContact OD2-NE 3Å; D82-R86 PolarHBondContact OD2-NE 3.27Å; D82-R86 IonicContact OD2-NH2 3.18Å; D82-R86 PolarHBondContact OD2-NH2 3.04Å
83	R	65.8	Low	64.6	Low	82 Å²	82	74 Å²	74	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-47.5	175.1	-78.8	173.7	140.8	178.8	-4.1	113.2	K79 E80 L81 N85 R86 L88	K79-R83 WeakPolarHBondContact O-CG 3.49Å; K79-R83 PolarHBondContact O-N 3.45Å; E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.37Å; E80-R83 VanDerWaalsContact OE1-CD 3.23Å; E80-R83 WeakPolarHBondContact OE1-CD 3.31Å; E80-R83 IonicContact OE1-CZ 3.75Å; E80-R83 IonicContact OE1-NE 3.92Å; E80-R83 IonicContact OE1-NH1 2.8Å; E80-R83 PolarHBondContact OE1-NH1 3.11Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 3.33Å; R83-N85 VanDerWaalsContact C-N 3.26Å; R83-N85 PolarHBondContact O-N 2.97Å; R83-R86 PolarHBondContact O-N 2.99Å; R83-L88 PolarHBondContact O-N 2.92Å
84	I	65.8	Low	63.6	Low	64 Å²	64	74.7 Å²	74.7	33%	0.328	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-46.4	174.5	-64.9	162	0	0	0	109.2	E80 L81 R86 G87 W91	E80-I84 VanDerWaalsContact O-CG1 3.31Å; E80-I84 WeakPolarHBondContact O-CG1 3.49Å; E80-I84 PolarHBondContact O-N 3.26Å; L81-I84 HydrophobicContact CD2-CD1 4.23Å; L81-I84 PolarHBondContact O-N 3.26Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.02Å; I84-G87 WeakPolarHBondContact O-CA 3.17Å; I84-G87 PolarHBondContact O-N 3.29Å; I84-W91 HydrophobicContact CD1-CB 4.42Å; I84-W91 HydrophobicContact CD1-CD2 4.26Å; I84-W91 HydrophobicContact CD1-CE3 3.28Å; I84-W91 HydrophobicContact CD1-CZ3 3.82Å; I84-W91 HydrophobicContact CG1-CE3 4.24Å
85	N	60.7	Low	62.7	Low	51 Å²	51	72.8 Å²	72.8	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-33.6	-175.7	-178.6	61.2	0	0	0	113.1	F12 I20 L81 D82 R83 G87	F12-N85 VanDerWaalsContact CD1-ND2 3.28Å; F12-N85 WeakPolarHBondContact CD1-ND2 3.23Å; F12-N85 WeakPolarHBondContact CD1-OD1 3.33Å; F12-N85 VanDerWaalsContact CE1-CG 3.46Å; F12-N85 WeakPolarHBondContact CE1-ND2 3.37Å; I20-N85 HydrophobicContact CD1-CB 4.39Å; I20-N85 WeakPolarHBondContact CD1-OD1 3.25Å; L81-N85 WeakPolarHBondContact O-CB 3.42Å; L81-N85 PolarHBondContact O-N 2.92Å; D82-N85 PolarHBondContact O-N 2.99Å; R83-N85 VanDerWaalsContact C-N 3.26Å; R83-N85 PolarHBondContact O-N 2.97Å; N85-G87 PolarHBondContact O-N 3.1Å; N85-G87 VanDerWaalsContact O-N 3.13Å
86	R	64.1	Low	61.7	Low	98 Å²	98	68.8 Å²	68.8	37%	0.37	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	2.3	171.6	-68.4	172.1	-170.9	-138.3	10	113.7	D82 R83 I84 L88	D82-R86 VanDerWaalsContact CG-NE 3.34Å; D82-R86 VanDerWaalsContact O-CG 3.27Å; D82-R86 WeakPolarHBondContact O-CG 3.42Å; D82-R86 PolarHBondContact O-N 3.04Å; D82-R86 IonicContact OD1-CZ 3.13Å; D82-R86 IonicContact OD1-NE 2.8Å; D82-R86 PolarHBondContact OD1-NE 3.32Å; D82-R86 IonicContact OD1-NH2 2.88Å; D82-R86 IonicContact OD2-CZ 3.72Å; D82-R86 IonicContact OD2-NE 3Å; D82-R86 PolarHBondContact OD2-NE 3.27Å; D82-R86 IonicContact OD2-NH2 3.18Å; D82-R86 PolarHBondContact OD2-NH2 3.04Å; R83-R86 PolarHBondContact O-N 2.99Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.02Å; R86-L88 HydrophobicContact CB-CB 4.48Å; R86-L88 HydrophobicContact CB-CD1 3.76Å; R86-L88 HydrophobicContact CB-CG 3.75Å; R86-L88 HydrophobicContact CG-CD1 4.5Å; R86-L88 PolarHBondContact O-N 2.82Å; R86-L88 VanDerWaalsContact O-N 3.17Å
87	G	61.4	Low	61	Low	68 Å²	68	73.6 Å²	73.6	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	14.9	-174.5	0	0	0	0	0	113.1	I84 N85 F89	I84-G87 WeakPolarHBondContact O-CA 3.17Å; I84-G87 PolarHBondContact O-N 3.29Å; N85-G87 PolarHBondContact O-N 3.1Å; N85-G87 VanDerWaalsContact O-N 3.13Å; G87-F89 VanDerWaalsContact C-N 3.34Å
88	L	58.4	Low	59.9	Low	116 Å²	116	77.2 Å²	77.2	61%	0.607	40%	0.402	S	S	*	.			trans	-78.8	-19.2	-174.5	-69.2	172.6	0	0	0	112.3	R83 R86	R83-L88 PolarHBondContact O-N 2.92Å; R86-L88 HydrophobicContact CB-CB 4.48Å; R86-L88 HydrophobicContact CB-CD1 3.76Å; R86-L88 HydrophobicContact CB-CG 3.75Å; R86-L88 HydrophobicContact CG-CD1 4.5Å; R86-L88 PolarHBondContact O-N 2.82Å; R86-L88 VanDerWaalsContact O-N 3.17Å
89	F	50.2	Low	58.8	Low	123 Å²	123	75.9 Å²	75.9	54%	0.539	39%	0.393	S	S	.	.			trans	-152.1	144.9	-178.2	-114	-94.1	0	0	0	113.2	G87	G87-F89 VanDerWaalsContact C-N 3.34Å
90	S	53.7	Low	57.5	Low	101 Å²	101	73.7 Å²	73.7	71%	0.706	39%	0.386	S	S	*	.			trans	-73.1	136.2	154.6	48.4	0	0	0	0	108.3	N92	S90-N92 PolarHBondContact O-N 3.36Å
91	W	46.3	Very low	56.4	Low	139 Å²	139	80 Å²	80	53%	0.527	41%	0.413	S	S	.	.			trans	-50.5	113.1	178.8	176	-97.6	0	0	0	111	E80 I84 L96	E80-W91 HydrophobicContact CB-CZ3 4.33Å; I84-W91 HydrophobicContact CD1-CB 4.42Å; I84-W91 HydrophobicContact CD1-CD2 4.26Å; I84-W91 HydrophobicContact CD1-CE3 3.28Å; I84-W91 HydrophobicContact CD1-CZ3 3.82Å; I84-W91 HydrophobicContact CG1-CE3 4.24Å; W91-L96 HydrophobicContact CH2-CD1 4.29Å; W91-L96 HydrophobicContact CZ2-CD1 4.17Å
92	N	54.2	Low	55.2	Low	86 Å²	86	82.1 Å²	82.1	46%	0.46	42%	0.424	S	S	.	.			trans	-114.3	106.3	174.2	-176.7	-6.6	0	0	0	108.2	S90 G94 S95	S90-N92 PolarHBondContact O-N 3.36Å; N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact OD1-CA 3.32Å; N92-G94 WeakPolarHBondContact OD1-CA 3.33Å; N92-G94 PolarHBondContact OD1-N 3.28Å; N92-S95 WeakPolarHBondContact O-CB 3.43Å; N92-S95 PolarHBondContact O-N 3.18Å; N92-S95 PolarHBondContact O-OG 3.22Å
93	I	52.6	Low	54	Low	107 Å²	107	82.9 Å²	82.9	55%	0.549	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21	176.7	-162.1	151.9	0	0	0	112.9	S95 L96 F97	I93-S95 VanDerWaalsContact C-N 3.3Å; I93-S95 PolarHBondContact O-N 3.19Å; I93-L96 HydrophobicContact CG1-CD1 4.43Å; I93-L96 PolarHBondContact O-N 3.36Å; I93-F97 HydrophobicContact CG1-CE2 4.35Å; I93-F97 WeakPolarHBondContact O-CD2 3.4Å; I93-F97 WeakPolarHBondContact O-CE2 3.38Å
94	G	54	Low	52.8	Low	24 Å²	24	85 Å²	85	25%	0.247	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.6	169.1	0	0	0	0	0	114.9	N92 L96 F97 N98	N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact OD1-CA 3.32Å; N92-G94 WeakPolarHBondContact OD1-CA 3.33Å; N92-G94 PolarHBondContact OD1-N 3.28Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.42Å; G94-F97 WeakPolarHBondContact O-CB 2.97Å; G94-F97 PolarHBondContact O-N 3.14Å; G94-F97 VanDerWaalsContact O-N 3.1Å; G94-N98 PolarHBondContact O-N 3.35Å
95	S	55.6	Low	51.4	Low	31 Å²	31	87.4 Å²	87.4	22%	0.217	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-64.7	-36.7	180	68.1	0	0	0	0	111.8	E80 N92 I93 F97 N98	E80-S95 PolarHBondContact OE2-OG 3.29Å; N92-S95 WeakPolarHBondContact O-CB 3.43Å; N92-S95 PolarHBondContact O-N 3.18Å; N92-S95 PolarHBondContact O-OG 3.22Å; I93-S95 VanDerWaalsContact C-N 3.3Å; I93-S95 PolarHBondContact O-N 3.19Å; S95-F97 PolarHBondContact O-N 3.33Å; S95-N98 PolarHBondContact O-N 3.1Å; S95-N98 VanDerWaalsContact O-N 3.08Å
96	L	52.1	Low	50.1	Low	36 Å²	36	91 Å²	91	19%	0.188	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.8	174.9	-66.5	164.5	0	0	0	112.6	W73 E80 W91 I93 G94 Y99	W73-L96 HydrophobicContact CZ3-CD2 4.16Å; E80-L96 HydrophobicContact CG-CD2 4.48Å; W91-L96 HydrophobicContact CH2-CD1 4.29Å; W91-L96 HydrophobicContact CZ2-CD1 4.17Å; I93-L96 HydrophobicContact CG1-CD1 4.43Å; I93-L96 PolarHBondContact O-N 3.36Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.42Å; L96-Y99 WeakPolarHBondContact O-CB 3.26Å
97	F	54	Low	48.8	Very low	115 Å²	115	98.4 Å²	98.4	50%	0.504	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-82.5	-23.9	174.2	-66.7	-74.6	0	0	0	112.9	I93 G94 S95 Y99	I93-F97 HydrophobicContact CG1-CE2 4.35Å; I93-F97 WeakPolarHBondContact O-CD2 3.4Å; I93-F97 WeakPolarHBondContact O-CE2 3.38Å; G94-F97 WeakPolarHBondContact O-CB 2.97Å; G94-F97 PolarHBondContact O-N 3.14Å; G94-F97 VanDerWaalsContact O-N 3.1Å; S95-F97 PolarHBondContact O-N 3.33Å; F97-Y99 PolarHBondContact O-N 3.24Å
98	N	53.1	Low	48.2	Very low	98 Å²	98	100 Å²	100	52%	0.524	52%	0.516	S	S	.	.	S	Bend	trans	-83.1	8.1	173.6	-71.7	-33.3	0	0	0	113.2	G94 S95 N100 K101	G94-N98 PolarHBondContact O-N 3.35Å; S95-N98 PolarHBondContact O-N 3.1Å; S95-N98 VanDerWaalsContact O-N 3.08Å; N98-N100 VanDerWaalsContact C-N 3.26Å; N98-N100 PolarHBondContact O-N 3.19Å; N98-N100 VanDerWaalsContact O-N 3.1Å; N98-K101 PolarHBondContact O-N 3.44Å
99	Y	51.1	Low	47.7	Very low	30 Å²	30	99.1 Å²	99.1	12%	0.118	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-37.3	-175.7	175.4	-121	0	0	0	115.4	E61 W73 C76 L96 F97 M103	E61-Y99 WeakPolarHBondContact OE1-CE1 3.27Å; W73-Y99 HydrophobicContact CH2-CD1 4.35Å; W73-Y99 HydrophobicContact CZ2-CD1 4.15Å; W73-Y99 HydrophobicContact CZ2-CE1 4.14Å; C76-Y99 HydrophobicContact CB-CE2 4.26Å; C76-Y99 WeakPolarHBondContact SG-CE2 3.49Å; C76-Y99 VanDerWaalsContact SG-CZ 3.55Å; L96-Y99 WeakPolarHBondContact O-CB 3.26Å; F97-Y99 PolarHBondContact O-N 3.24Å; Y99-M103 HydrophobicContact CE2-CE 3.58Å; Y99-M103 HydrophobicContact CE2-CG 4.19Å; Y99-M103 WeakPolarHBondContact O-CG 3.5Å; Y99-M103 VanDerWaalsContact OH-CE 3.26Å; Y99-M103 WeakPolarHBondContact OH-CE 3.18Å
100	N	46.2	Very low	47.5	Very low	49 Å²	49	97.8 Å²	97.8	26%	0.262	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.3	-179.7	-72.5	-10.2	0	0	0	114.3	Y57 N98	Y57-N100 HydrophobicContact CE1-CB 4.48Å; N98-N100 VanDerWaalsContact C-N 3.26Å; N98-N100 PolarHBondContact O-N 3.19Å; N98-N100 VanDerWaalsContact O-N 3.1Å
101	K	47.2	Very low	47.2	Very low	155 Å²	155	97.6 Å²	97.6	67%	0.674	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-42.3	-179.1	-97.1	-173.5	176.3	-179.2	0	112.2	N98 M103 T105	N98-K101 PolarHBondContact O-N 3.44Å; K101-M103 PolarHBondContact O-N 3.47Å; K101-T105 PolarHBondContact O-OG1 3.28Å
102	D	45	Very low	47.2	Very low	91 Å²	91	95 Å²	95	49%	0.487	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.9	178.7	-75.3	-2.1	0	0	0	112.7
103	M	42	Very low	46.7	Very low	77 Å²	77	95.6 Å²	95.6	38%	0.379	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.6	-177.2	-74.3	-69.1	-128.6	0	0	113.8	Y99 K101 T105	Y99-M103 HydrophobicContact CE2-CE 3.58Å; Y99-M103 HydrophobicContact CE2-CG 4.19Å; Y99-M103 WeakPolarHBondContact O-CG 3.5Å; Y99-M103 VanDerWaalsContact OH-CE 3.26Å; Y99-M103 WeakPolarHBondContact OH-CE 3.18Å; K101-M103 PolarHBondContact O-N 3.47Å; M103-T105 VanDerWaalsContact C-N 3.29Å
104	N	40.9	Very low	46.3	Very low	127 Å²	127	94.8 Å²	94.8	68%	0.679	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	0	175.1	-74.6	-4.5	0	0	0	113.1
105	T	37.2	Very low	45.7	Very low	113 Å²	113	100.2 Å²	100.2	69%	0.693	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	22.2	179.6	-21.5	0	0	0	0	112.7	K101 M103 E107	K101-T105 PolarHBondContact O-OG1 3.28Å; M103-T105 VanDerWaalsContact C-N 3.29Å; T105-E107 VanDerWaalsContact C-N 3.26Å; T105-E107 PolarHBondContact O-N 3.16Å
106	V	32.3	Very low	44.9	Very low	126 Å²	126	106 Å²	106	76%	0.764	54%	0.539	S	S	*	.			trans	-92.9	71.8	159	-168.6	0	0	0	0	106.9
107	E	37.9	Very low	44.3	Very low	255 Å²	255	112.4 Å²	112.4	100%	1.192	57%	0.571	S	S	*	*			trans	-90.4	0	153.6	-76.8	-171.9	161.3	0	0	108.9	T105	T105-E107 VanDerWaalsContact C-N 3.26Å; T105-E107 PolarHBondContact O-N 3.16Å

Retrieved 107 of 107 residues in 196.2 ms (Link to these results)

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