G4VTX8_SCHMA Loading...

Putative nitrogen fixation protein nifu

AlphaFold DB , UniProt , Accession G4VTX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

						>G4VTX8_SCHMA|G4VTX8
MISRLGICQSTITRCLRQHASAYHKNVIDHYENPRNVGSLDKKDTSVGTGLVGAPACGDVMKLQIKVDENGKIIDAKFKTFGCGSAIASSSLATEWVKGKTIDEAAKIKNSDIAKELKLPPVKLHCSMLAEDAIQAAIKDYKKKST
					

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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	44.6	Very low	48.1	Very low	245 Å²	245	147 Å²	147	100%	1.207	80%	0.799	S	S	*	*				0	98.2	0	-62.9	173.4	178.6	0	0	105
2	I	47.7	Very low	48.6	Very low	178 Å²	178	146.2 Å²	146.2	91%	0.913	79%	0.791	S	S	*	*				-143.3	145	55.2	-76.9	150.2	0	0	0	109
3	S	42.6	Very low	48.4	Very low	102 Å²	102	144 Å²	144	71%	0.713	79%	0.785	S	S	*	*			trans	-89.5	144.1	-166.4	-164.5	0	0	0	0	112.9
4	R	44.1	Very low	48.4	Very low	231 Å²	231	149.3 Å²	149.3	87%	0.872	79%	0.788	S	S	*	*			trans	1	127.2	152.6	-66.9	175	166	-142.5	-2.9	118.2
5	L	48.5	Very low	48.5	Very low	175 Å²	175	146.6 Å²	146.6	92%	0.916	79%	0.785	S	S	*	*			trans	-127.2	89.8	142.2	-94.6	135.6	0	0	0	108.3
6	G	48.7	Very low	48.3	Very low	63 Å²	63	147.8 Å²	147.8	65%	0.649	79%	0.79	S	S	*	*			trans	-102.4	130.9	149.7	0	0	0	0	0	106.8
7	I	55.5	Low	48.1	Very low	158 Å²	158	152.3 Å²	152.3	81%	0.81	79%	0.793	S	S	*	*			trans	-158.7	123	152.8	-87.4	131.1	0	0	0	108.3
8	C	45.6	Very low	47.8	Very low	84 Å²	84	152.3 Å²	152.3	57%	0.568	79%	0.789	S	S	*	*			trans	49.9	105.5	151.8	-82.7	0	0	0	0	122.2	S10	C8-S10 WeakPolarHBondContact CB-OG 3.45Å; C8-S10 PolarHBondContact O-N 3Å; C8-S10 VanDerWaalsContact O-N 3.17Å; C8-S10 PolarHBondContact SG-OG 2.64Å
9	Q	53.3	Low	47.8	Very low	188 Å²	188	153.9 Å²	153.9	88%	0.879	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-65	0.4	154.5	-71.6	-165.9	-25.4	0	0	114.6	T11	Q9-T11 VanDerWaalsContact C-N 3.29Å; Q9-T11 PolarHBondContact O-N 2.79Å
10	S	53.9	Low	47.5	Very low	86 Å²	86	150.3 Å²	150.3	60%	0.601	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-78	-6.4	-176.5	59.8	0	0	0	0	115	C8	C8-S10 WeakPolarHBondContact CB-OG 3.45Å; C8-S10 PolarHBondContact O-N 3Å; C8-S10 VanDerWaalsContact O-N 3.17Å; C8-S10 PolarHBondContact SG-OG 2.64Å
11	T	45	Very low	47.9	Very low	107 Å²	107	148.7 Å²	148.7	66%	0.656	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-93.7	-14.1	-172.8	-41	0	0	0	0	113.5	Q9	Q9-T11 VanDerWaalsContact C-N 3.29Å; Q9-T11 PolarHBondContact O-N 2.79Å
12	I	53.6	Low	48.9	Very low	137 Å²	137	141.2 Å²	141.2	70%	0.703	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-79.1	-24.5	-176.4	-61.6	178.6	0	0	0	112.3	R14	I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.9Å
13	T	46.7	Very low	50.4	Low	118 Å²	118	138.2 Å²	138.2	72%	0.724	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-80.2	-9.9	-174.5	-41.7	0	0	0	0	114.2
14	R	47.4	Very low	52.6	Low	218 Å²	218	135.8 Å²	135.8	82%	0.823	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-93.8	-11.6	-171.9	-143	172.2	-176	-141.1	1.1	115.1	I12	I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.9Å
15	C	49.7	Very low	54.9	Low	109 Å²	109	132.9 Å²	132.9	74%	0.736	71%	0.713	S	S	*	*	S	Bend	trans	-88.8	-22.5	-176.9	-129	0	0	0	0	114.2	R17	C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.91Å
16	L	46.2	Very low	56.9	Low	165 Å²	165	127 Å²	127	86%	0.864	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	3	-177.6	-78.9	163	0	0	0	114.7
17	R	45.1	Very low	58.9	Low	225 Å²	225	124.2 Å²	124.2	85%	0.849	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	0.4	-174.7	-112.4	-179.7	176.1	-146	1.1	115.4	C15	C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.91Å
18	Q	42.2	Very low	60.7	Low	153 Å²	153	119.9 Å²	119.9	72%	0.715	63%	0.631	S	S	*	*	S	Bend	trans	-108.7	5	-167.4	-76.7	-178.4	-21	0	0	116.2
19	H	47.1	Very low	63	Low	183 Å²	183	119 Å²	119	85%	0.847	62%	0.621	S	S	*	*			trans	-141.2	28.9	176.2	-67.5	91.5	0	0	0	114.6	S21	H19-S21 PolarHBondContact O-N 3.42Å; H19-S21 VanDerWaalsContact O-N 3.14Å
20	A	43.2	Very low	64.9	Low	81 Å²	81	110.8 Å²	110.8	67%	0.669	58%	0.582	S	S	*	*			trans	-73.7	103.6	157.9	0	0	0	0	0	106.2	A22	A20-A22 WeakPolarHBondContact O-CA 3.37Å; A20-A22 WeakPolarHBondContact O-CB 3.44Å; A20-A22 PolarHBondContact O-N 3.47Å
21	S	54.7	Low	66.7	Low	117 Å²	117	113 Å²	113	82%	0.818	58%	0.578	S	S	*	*			trans	-57.8	89.2	160.9	-173.3	0	0	0	0	106.2	H19 Y23	H19-S21 PolarHBondContact O-N 3.42Å; H19-S21 VanDerWaalsContact O-N 3.14Å; S21-Y23 PolarHBondContact O-N 3.25Å
22	A	66.2	Low	69	Low	87 Å²	87	114.3 Å²	114.3	72%	0.719	58%	0.577	S	S	*	*			trans	-77.9	101.7	-154.1	0	0	0	0	0	109	A20 H24	A20-A22 WeakPolarHBondContact O-CA 3.37Å; A20-A22 WeakPolarHBondContact O-CB 3.44Å; A20-A22 PolarHBondContact O-N 3.47Å; A22-H24 PolarHBondContact O-N 2.87Å
23	Y	79.5	Confident	70.9	Confident	115 Å²	115	112.3 Å²	112.3	45%	0.451	57%	0.567	S	S	.	*			trans	-51.4	138	164.3	-71.3	-73.4	0	0	0	109.2	S21 V27 I28 S85	S21-Y23 PolarHBondContact O-N 3.25Å; Y23-V27 HydrophobicContact CD1-CG1 3.79Å; Y23-V27 HydrophobicContact CG-CG1 4.26Å; Y23-I28 WeakPolarHBondContact O-CD1 3.43Å; Y23-S85 WeakPolarHBondContact CE1-OG 3.36Å
24	H	88.8	Confident	73.1	Confident	52 Å²	52	109.1 Å²	109.1	24%	0.241	55%	0.549	C	S	.	.			trans	-59.7	148.3	175.4	-174.5	-104.1	0	0	0	109.8	A22 N26 V27 I28 L117 K118	A22-H24 PolarHBondContact O-N 2.87Å; H24-N26 VanDerWaalsContact CE1-CG 3.42Å; H24-N26 PolarHBondContact CE1-OD1 2.78Å; H24-N26 WeakPolarHBondContact ND1-CB 3.42Å; H24-N26 PolarHBondContact ND1-N 2.84Å; H24-N26 PolarHBondContact O-N 3.1Å; H24-N26 VanDerWaalsContact O-N 3.1Å; H24-V27 HydrophobicContact CB-CG2 4.4Å; H24-V27 WeakPolarHBondContact O-CA 3.49Å; H24-V27 WeakPolarHBondContact O-CB 3.34Å; H24-V27 PolarHBondContact O-N 2.77Å; H24-I28 PolarHBondContact O-N 2.79Å; H24-I28 VanDerWaalsContact O-N 3.1Å; H24-L117 WeakPolarHBondContact CB-O 3.43Å; H24-K118 HydrophobicContact CB-CB 4.29Å; H24-K118 WeakPolarHBondContact NE2-CD 3.36Å; H24-K118 WeakPolarHBondContact NE2-CE 3.44Å; H24-K118 PolarHBondContact NE2-NZ 3.02Å
25	K	91.3	Very high	75.3	Confident	170 Å²	170	101.6 Å²	101.6	74%	0.739	52%	0.521	S	S	*	.	H	α-helix	trans	-52.6	-37.9	-177.8	-65.3	-176.6	179.6	-177.1	0	112.6	V27 I28 D29	K25-V27 PolarHBondContact O-N 3.01Å; K25-I28 PolarHBondContact O-N 2.91Å; K25-D29 VanDerWaalsContact O-CB 3.29Å; K25-D29 WeakPolarHBondContact O-CB 3.43Å; K25-D29 PolarHBondContact O-N 3.03Å
26	N	90.5	Very high	77.4	Confident	52 Å²	52	98 Å²	98	28%	0.278	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-41.1	176.8	-60.3	6.4	0	0	0	111.7	H24 I28 D29 H30 E116 L117	H24-N26 VanDerWaalsContact CE1-CG 3.42Å; H24-N26 PolarHBondContact CE1-OD1 2.78Å; H24-N26 WeakPolarHBondContact ND1-CB 3.42Å; H24-N26 PolarHBondContact ND1-N 2.84Å; H24-N26 PolarHBondContact O-N 3.1Å; H24-N26 VanDerWaalsContact O-N 3.1Å; N26-I28 VanDerWaalsContact C-N 3.35Å; N26-D29 PolarHBondContact O-N 3.05Å; N26-H30 PolarHBondContact O-CD2 2.95Å; N26-H30 PolarHBondContact O-N 2.85Å; N26-E116 PolarHBondContact ND2-O 3.21Å; N26-L117 HydrophobicContact CB-CD2 4.15Å
27	V	92.6	Very high	79.8	Confident	4 Å²	4	94.1 Å²	94.1	2%	0.024	48%	0.477	C	S	.	.	H	α-helix	trans	-64.4	-43.5	177.2	176.4	0	0	0	0	110.5	Y23 H24 K25 Y31 A88 L117 L119	Y23-V27 HydrophobicContact CD1-CG1 3.79Å; Y23-V27 HydrophobicContact CG-CG1 4.26Å; H24-V27 HydrophobicContact CB-CG2 4.4Å; H24-V27 WeakPolarHBondContact O-CA 3.49Å; H24-V27 WeakPolarHBondContact O-CB 3.34Å; H24-V27 PolarHBondContact O-N 2.77Å; K25-V27 PolarHBondContact O-N 3.01Å; V27-Y31 VanDerWaalsContact O-CB 3.22Å; V27-Y31 WeakPolarHBondContact O-CB 3.5Å; V27-Y31 PolarHBondContact O-N 3.31Å; V27-A88 HydrophobicContact CB-CB 4.3Å; V27-A88 HydrophobicContact CG1-CB 3.89Å; V27-A88 HydrophobicContact CG2-CB 4.49Å; V27-L117 HydrophobicContact CG2-CB 3.93Å; V27-L117 HydrophobicContact CG2-CD2 4.15Å; V27-L117 HydrophobicContact CG2-CG 4.49Å; V27-L117 WeakPolarHBondContact CG2-O 3.43Å; V27-L119 HydrophobicContact CG2-CD2 3.97Å
28	I	92.1	Very high	82.2	Confident	66 Å²	66	84.3 Å²	84.3	34%	0.338	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-45.7	177.7	-61.6	172.9	0	0	0	110.2	Y23 H24 K25 N26 H30 Y31 E32	Y23-I28 WeakPolarHBondContact O-CD1 3.43Å; H24-I28 PolarHBondContact O-N 2.79Å; H24-I28 VanDerWaalsContact O-N 3.1Å; K25-I28 PolarHBondContact O-N 2.91Å; N26-I28 VanDerWaalsContact C-N 3.35Å; I28-H30 PolarHBondContact O-N 3.35Å; I28-Y31 WeakPolarHBondContact O-CB 3.22Å; I28-Y31 PolarHBondContact O-N 3.27Å; I28-Y31 VanDerWaalsContact O-N 3.07Å; I28-E32 HydrophobicContact CG2-CG 4.11Å; I28-E32 PolarHBondContact O-N 3.13Å
29	D	94	Very high	84.7	Confident	67 Å²	67	80.1 Å²	80.1	36%	0.358	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-45.8	-178.8	174.9	59.7	0	0	0	112.7	K25 N26 Y31 N33 R35	K25-D29 VanDerWaalsContact O-CB 3.29Å; K25-D29 WeakPolarHBondContact O-CB 3.43Å; K25-D29 PolarHBondContact O-N 3.03Å; N26-D29 PolarHBondContact O-N 3.05Å; D29-Y31 VanDerWaalsContact C-N 3.28Å; D29-Y31 PolarHBondContact O-N 3.48Å; D29-N33 WeakPolarHBondContact O-CA 3.24Å; D29-N33 WeakPolarHBondContact O-CB 3.43Å; D29-N33 PolarHBondContact O-N 3.49Å; D29-R35 IonicContact OD1-CZ 3.06Å; D29-R35 IonicContact OD1-NH2 2.87Å; D29-R35 PolarHBondContact OD1-NH2 3.34Å; D29-R35 IonicContact OD2-CZ 2.7Å; D29-R35 IonicContact OD2-NH1 3.89Å; D29-R35 PolarHBondContact OD2-NH1 3.23Å; D29-R35 IonicContact OD2-NH2 2.75Å; D29-R35 PolarHBondContact OD2-NH2 2.85Å
30	H	93.9	Very high	87.1	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.069	40%	0.401	C	S	.	.	H	α-helix	trans	-71.2	-21.2	173.8	-75.2	-85.2	0	0	0	113.7	N26 I28 P34 R35 A88 S91 E95	N26-H30 PolarHBondContact O-CD2 2.95Å; N26-H30 PolarHBondContact O-N 2.85Å; I28-H30 PolarHBondContact O-N 3.35Å; H30-P34 WeakPolarHBondContact O-CA 3.5Å; H30-P34 WeakPolarHBondContact O-CB 3.44Å; H30-R35 PolarHBondContact CE1-NH1 2.82Å; H30-R35 PolarHBondContact ND1-NH1 2.8Å; H30-A88 HydrophobicContact CB-CB 3.79Å; H30-S91 WeakPolarHBondContact ND1-CB 3.42Å; H30-S91 PolarHBondContact ND1-OG 2.74Å; H30-E95 IonicContact CE1-OE2 3.39Å; H30-E95 PolarHBondContact CE1-OE2 3.32Å; H30-E95 IonicContact ND1-OE2 3.15Å; H30-E95 PolarHBondContact ND1-OE2 2.95Å
31	Y	92.2	Very high	89.5	Confident	131 Å²	131	73.8 Å²	73.8	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-79.8	-44.7	176.2	176.9	-103.5	0	0	0	111.9	V27 I28 D29 I87	V27-Y31 VanDerWaalsContact O-CB 3.22Å; V27-Y31 WeakPolarHBondContact O-CB 3.5Å; V27-Y31 PolarHBondContact O-N 3.31Å; I28-Y31 WeakPolarHBondContact O-CB 3.22Å; I28-Y31 PolarHBondContact O-N 3.27Å; I28-Y31 VanDerWaalsContact O-N 3.07Å; D29-Y31 VanDerWaalsContact C-N 3.28Å; D29-Y31 PolarHBondContact O-N 3.48Å; Y31-I87 HydrophobicContact CD2-CB 4.36Å; Y31-I87 HydrophobicContact CD2-CD1 3.97Å; Y31-I87 HydrophobicContact CD2-CG2 4.4Å; Y31-I87 HydrophobicContact CE2-CD1 3.79Å
32	E	92.3	Very high	91.2	Very high	135 Å²	135	74.3 Å²	74.3	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-75.8	-36	179	-68.8	-177.6	169.2	0	0	111.9	I28 P34	I28-E32 HydrophobicContact CG2-CG 4.11Å; I28-E32 PolarHBondContact O-N 3.13Å; E32-P34 VanDerWaalsContact C-CD 3.46Å; E32-P34 WeakPolarHBondContact O-CD 3.47Å
33	N	93.9	Very high	92.4	Very high	95 Å²	95	79.1 Å²	79.1	51%	0.508	39%	0.387	S	S	.	.	S	Bend	trans	-125.1	62.9	-178.9	-58.8	-70.8	0	0	0	111.3	D29 R35	D29-N33 WeakPolarHBondContact O-CA 3.24Å; D29-N33 WeakPolarHBondContact O-CB 3.43Å; D29-N33 PolarHBondContact O-N 3.49Å; N33-R35 WeakPolarHBondContact O-CD 3.38Å; N33-R35 VanDerWaalsContact O-CZ 3.23Å; N33-R35 PolarHBondContact O-N 3Å; N33-R35 PolarHBondContact O-NE 3.15Å
34	P	92.1	Very high	93.1	Very high	51 Å²	51	75.8 Å²	75.8	33%	0.331	38%	0.377	S	S	.	.			trans	-63.9	132.3	-176.2	28.6	-36	0	0	0	111.5	H30 E32 V37 F78 I87	H30-P34 WeakPolarHBondContact O-CA 3.5Å; H30-P34 WeakPolarHBondContact O-CB 3.44Å; E32-P34 VanDerWaalsContact C-CD 3.46Å; E32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-V37 HydrophobicContact CB-CG2 3.53Å; P34-V37 HydrophobicContact CG-CG2 3.61Å; P34-F78 HydrophobicContact CB-CE1 4.46Å; P34-F78 HydrophobicContact CB-CZ 4Å; P34-I87 HydrophobicContact CB-CG2 4.44Å
35	R	93.2	Very high	93.3	Very high	61 Å²	61	78.2 Å²	78.2	23%	0.23	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	136.2	-176.2	-64.9	87.3	-163.8	-166.4	4.7	110.5	D29 H30 N33 V37 F78 S91 T94 E95	D29-R35 IonicContact OD1-CZ 3.06Å; D29-R35 IonicContact OD1-NH2 2.87Å; D29-R35 PolarHBondContact OD1-NH2 3.34Å; D29-R35 IonicContact OD2-CZ 2.7Å; D29-R35 IonicContact OD2-NH1 3.89Å; D29-R35 PolarHBondContact OD2-NH1 3.23Å; D29-R35 IonicContact OD2-NH2 2.75Å; D29-R35 PolarHBondContact OD2-NH2 2.85Å; H30-R35 PolarHBondContact CE1-NH1 2.82Å; H30-R35 PolarHBondContact ND1-NH1 2.8Å; N33-R35 WeakPolarHBondContact O-CD 3.38Å; N33-R35 VanDerWaalsContact O-CZ 3.23Å; N33-R35 PolarHBondContact O-N 3Å; N33-R35 PolarHBondContact O-NE 3.15Å; R35-V37 PolarHBondContact O-N 2.82Å; R35-F78 WeakPolarHBondContact O-CE1 3.39Å; R35-S91 PolarHBondContact N-OG 3.32Å; R35-T94 PolarHBondContact O-OG1 2.98Å; R35-E95 HydrophobicContact CB-CG 3.84Å; R35-E95 WeakPolarHBondContact CB-OE2 3.23Å; R35-E95 WeakPolarHBondContact CD-OE2 3.48Å; R35-E95 HydrophobicContact CG-CG 4.4Å; R35-E95 WeakPolarHBondContact CG-OE2 3.27Å
36	N	95.2	Very high	93.5	Very high	33 Å²	33	71.3 Å²	71.3	18%	0.176	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	30.4	177.7	-40.1	-74.4	0	0	0	115.2	G38 A76 K77 F78 T94 E95 K98	N36-G38 PolarHBondContact O-N 3.25Å; N36-A76 VanDerWaalsContact CB-O 3.23Å; N36-A76 WeakPolarHBondContact CB-O 2.92Å; N36-K77 HydrophobicContact CB-CD 4.37Å; N36-K77 VanDerWaalsContact O-CA 3.28Å; N36-K77 WeakPolarHBondContact O-CA 3.42Å; N36-K77 WeakPolarHBondContact O-CD 3.38Å; N36-F78 PolarHBondContact O-N 3.49Å; N36-F78 VanDerWaalsContact O-N 3.11Å; N36-T94 PolarHBondContact ND2-OG1 3.11Å; N36-T94 VanDerWaalsContact ND2-OG1 3.15Å; N36-E95 WeakPolarHBondContact ND2-CG 3.47Å; N36-K98 PolarHBondContact OD1-NZ 3.37Å
37	V	95.3	Very high	93.8	Very high	84 Å²	84	68.9 Å²	68.9	51%	0.509	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-63.3	130.3	169.8	-176.4	0	0	0	0	109.6	P34 R35 F78	P34-V37 HydrophobicContact CB-CG2 3.53Å; P34-V37 HydrophobicContact CG-CG2 3.61Å; R35-V37 PolarHBondContact O-N 2.82Å; V37-F78 HydrophobicContact CG2-CE1 3.85Å; V37-F78 HydrophobicContact CG2-CZ 3.89Å
38	G	95.9	Very high	94	Very high	19 Å²	19	68.7 Å²	68.7	20%	0.196	35%	0.354	C	S	.	.	S	Bend	trans	157	-161.9	177.5	0	0	0	0	0	113.4	N36 F78 K79	N36-G38 PolarHBondContact O-N 3.25Å; G38-F78 PolarHBondContact N-O 3.34Å; G38-F78 VanDerWaalsContact N-O 3.09Å; G38-K79 WeakPolarHBondContact O-CE 3.5Å; G38-K79 VanDerWaalsContact O-CG 3.31Å; G38-K79 WeakPolarHBondContact O-CG 3.27Å
39	S	95.7	Very high	94.2	Very high	64 Å²	64	66.8 Å²	66.8	45%	0.448	35%	0.345	S	S	.	.			trans	-147.3	148.6	174	44.5	0	0	0	0	110.2	Q64	S39-Q64 VanDerWaalsContact CA-OE1 3.27Å; S39-Q64 VanDerWaalsContact CB-OE1 3.27Å
40	L	95.7	Very high	94.3	Very high	31 Å²	31	63.6 Å²	63.6	16%	0.162	33%	0.329	C	S	.	.			trans	-101.1	159.7	172.8	-62	170.1	0	0	0	109.7	K42 V47 Q64 K66 K77	L40-K42 PolarHBondContact O-N 3.09Å; L40-V47 HydrophobicContact CB-CG1 3.82Å; L40-V47 HydrophobicContact CB-CG2 4.14Å; L40-V47 HydrophobicContact CD1-CG1 4.25Å; L40-V47 HydrophobicContact CD1-CG2 4.38Å; L40-Q64 HydrophobicContact CB-CB 4.26Å; L40-Q64 HydrophobicContact CD1-CB 3.99Å; L40-Q64 HydrophobicContact CG-CB 4.33Å; L40-Q64 PolarHBondContact O-NE2 2.98Å; L40-Q64 PolarHBondContact O-OE1 2.8Å; L40-K66 HydrophobicContact CD1-CB 3.91Å; L40-K77 HydrophobicContact CD1-CG 4.34Å; L40-K77 HydrophobicContact CD2-CG 3.88Å; L40-K77 HydrophobicContact CG-CB 4.2Å; L40-K77 HydrophobicContact CG-CG 3.75Å
41	D	94.6	Very high	94.4	Very high	101 Å²	101	68.5 Å²	68.5	54%	0.54	36%	0.355	S	S	.	.			trans	-63	121.2	175	-170.9	-4.7	0	0	0	109.9	K43 D44 V47	D41-K43 PolarHBondContact O-N 2.96Å; D41-K43 WeakPolarHBondContact OD1-CB 3.49Å; D41-K43 PolarHBondContact OD1-N 3.43Å; D41-D44 HydrophobicContact CB-CB 4.39Å; D41-V47 WeakPolarHBondContact O-CB 3.43Å; D41-V47 WeakPolarHBondContact O-CG1 3.28Å
42	K	90.3	Very high	94.5	Very high	127 Å²	127	63.4 Å²	63.4	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-22.1	179.6	-66.2	-177.6	178.8	-175.4	0	112.4	L40 K144	L40-K42 PolarHBondContact O-N 3.09Å; K42-K144 PolarHBondContact O-NZ 2.91Å
43	K	91	Very high	94.5	Very high	189 Å²	189	59.2 Å²	59.2	82%	0.822	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.3	-178.5	-62.6	-177.8	179.2	-178.2	0	112.8	D41 T45	D41-K43 PolarHBondContact O-N 2.96Å; D41-K43 WeakPolarHBondContact OD1-CB 3.49Å; D41-K43 PolarHBondContact OD1-N 3.43Å; K43-T45 PolarHBondContact O-N 2.78Å
44	D	94.4	Very high	94.2	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.241	32%	0.321	C	S	.	.			trans	-65	130	175.7	-170.4	-18.1	0	0	0	109.8	D41 S46 V47 K66 K144	D41-D44 HydrophobicContact CB-CB 4.39Å; D44-S46 VanDerWaalsContact C-N 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3Å; D44-S46 PolarHBondContact OD1-OG 3.16Å; D44-S46 PolarHBondContact OD2-OG 2.91Å; D44-V47 HydrophobicContact CB-CB 4.13Å; D44-V47 HydrophobicContact CB-CG2 3.73Å; D44-V47 PolarHBondContact O-N 3.3Å; D44-K66 IonicContact OD2-NZ 2.79Å; D44-K66 PolarHBondContact OD2-NZ 3.15Å; D44-K144 PolarHBondContact O-NZ 3.44Å
45	T	93.3	Very high	93.9	Very high	102 Å²	102	59.4 Å²	59.4	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.8	178.5	50.9	0	0	0	0	111.6	K43 V47	K43-T45 PolarHBondContact O-N 2.78Å; T45-V47 PolarHBondContact O-N 2.96Å
46	S	94.8	Very high	93.5	Very high	25 Å²	25	61.4 Å²	61.4	18%	0.175	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.1	174.5	71	0	0	0	0	113.6	D44 K66 V67	D44-S46 VanDerWaalsContact C-N 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3Å; D44-S46 PolarHBondContact OD1-OG 3.16Å; D44-S46 PolarHBondContact OD2-OG 2.91Å; S46-K66 WeakPolarHBondContact O-CA 3.31Å; S46-K66 WeakPolarHBondContact OG-CE 3.23Å; S46-V67 WeakPolarHBondContact CB-O 3.36Å; S46-V67 PolarHBondContact O-N 3.42Å
47	V	96.7	Very high	92.8	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	-175.5	175.6	0	0	0	0	111.9	L40 D41 D44 T45 Q64 I65 K66 K144	L40-V47 HydrophobicContact CB-CG1 3.82Å; L40-V47 HydrophobicContact CB-CG2 4.14Å; L40-V47 HydrophobicContact CD1-CG1 4.25Å; L40-V47 HydrophobicContact CD1-CG2 4.38Å; D41-V47 WeakPolarHBondContact O-CB 3.43Å; D41-V47 WeakPolarHBondContact O-CG1 3.28Å; D44-V47 HydrophobicContact CB-CB 4.13Å; D44-V47 HydrophobicContact CB-CG2 3.73Å; D44-V47 PolarHBondContact O-N 3.3Å; T45-V47 PolarHBondContact O-N 2.96Å; V47-Q64 HydrophobicContact CG1-CB 4.42Å; V47-I65 CarbonylContact C-O 3.5Å; V47-I65 VanDerWaalsContact CA-O 3.24Å; V47-I65 WeakPolarHBondContact CA-O 3.35Å; V47-K66 HydrophobicContact CG2-CB 4.17Å; V47-K66 HydrophobicContact CG2-CD 4.36Å; V47-K66 HydrophobicContact CG2-CG 4.11Å; V47-K144 WeakPolarHBondContact O-CD 3.34Å; V47-K144 PolarHBondContact O-NZ 3.14Å
48	G	96.6	Very high	92.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.4	167.7	0	0	0	0	0	111.5	Q64 I65 A137	G48-Q64 CarbonylContact O-C 3.57Å; G48-Q64 VanDerWaalsContact O-CA 3.23Å; G48-Q64 WeakPolarHBondContact O-CA 3.41Å; G48-I65 PolarHBondContact N-O 3.17Å; G48-I65 PolarHBondContact O-N 3.39Å; G48-A137 WeakPolarHBondContact CA-O 3.48Å
49	T	96.8	Very high	91.9	Very high	26 Å²	26	62.3 Å²	62.3	16%	0.16	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.7	177.9	-60.6	0	0	0	0	111.5	K62 Q64 D140	T49-K62 HydrophobicContact CG2-CG 4.48Å; T49-Q64 HydrophobicContact CG2-CG 3.94Å; T49-Q64 PolarHBondContact OG1-NE2 3.32Å; T49-D140 PolarHBondContact N-OD2 3.19Å; T49-D140 WeakPolarHBondContact O-CB 3.23Å
50	G	96.3	Very high	91.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.4	168.7	0	0	0	0	0	110.6	K62 L63	G50-K62 CarbonylContact O-C 3.51Å; G50-K62 VanDerWaalsContact O-CA 3.32Å; G50-K62 WeakPolarHBondContact O-CA 3.2Å; G50-L63 PolarHBondContact N-O 3.39Å; G50-L63 PolarHBondContact O-N 2.99Å
51	L	95.3	Very high	91.8	Very high	117 Å²	117	59.2 Å²	59.2	61%	0.613	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.8	167.9	-179.4	69.5	0	0	0	107.6	V60 M61 K62	L51-V60 HydrophobicContact CD1-CG1 3.82Å; L51-M61 WeakPolarHBondContact CA-O 3.45Å; L51-K62 HydrophobicContact CD1-CB 3.84Å; L51-K62 HydrophobicContact CD1-CG 4.23Å
52	V	95	Very high	91.8	Very high	25 Å²	25	56 Å²	56	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161	-176.7	-63.3	0	0	0	0	110.5	M61 L129 D132 A133 A136	V52-M61 HydrophobicContact CG2-CB 4.06Å; V52-M61 PolarHBondContact N-O 2.95Å; V52-M61 PolarHBondContact O-N 3.38Å; V52-L129 HydrophobicContact CB-CD1 3.99Å; V52-L129 HydrophobicContact CG2-CD1 3.59Å; V52-L129 HydrophobicContact CG2-CG 3.98Å; V52-L129 WeakPolarHBondContact CG2-O 3.46Å; V52-D132 HydrophobicContact CB-CB 4.45Å; V52-D132 HydrophobicContact CG1-CB 4.17Å; V52-D132 HydrophobicContact CG2-CB 4.44Å; V52-A133 HydrophobicContact CG2-CB 3.57Å; V52-A136 HydrophobicContact CG1-CB 3.87Å
53	G	91.8	Very high	92.1	Very high	47 Å²	47	50 Å²	50	49%	0.485	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	177.6	-177.8	0	0	0	0	0	112.9	D59	G53-D59 WeakPolarHBondContact CA-O 3.19Å
54	A	87.8	Confident	92.4	Very high	38 Å²	38	41.1 Å²	41.1	31%	0.314	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.3	-174.9	0	0	0	0	0	109.4	A56 C57 G58 D59	A54-A56 PolarHBondContact O-N 3.09Å; A54-A56 VanDerWaalsContact O-N 3.1Å; A54-C57 PolarHBondContact O-N 2.86Å; A54-G58 PolarHBondContact O-N 2.87Å; A54-D59 PolarHBondContact N-O 3.38Å; A54-D59 VanDerWaalsContact N-O 3.09Å
55	P	86.4	Confident	92.6	Very high	111 Å²	111	39 Å²	39	72%	0.721	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-54.6	-31.7	175.4	-26	33.6	0	0	0	113.1	C57 G58 V60	P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 2.75Å; P55-G58 PolarHBondContact O-N 2.89Å; P55-V60 HydrophobicContact CB-CG2 4.46Å; P55-V60 HydrophobicContact CG-CG2 4Å
56	A	85.1	Confident	92.8	Very high	104 Å²	104	37.2 Å²	37.2	86%	0.86	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.3	-29.1	178.2	0	0	0	0	0	113.7	A54	A54-A56 PolarHBondContact O-N 3.09Å; A54-A56 VanDerWaalsContact O-N 3.1Å
57	C	79.3	Confident	92.8	Very high	105 Å²	105	36.1 Å²	36.1	71%	0.709	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-89.9	-8.4	178.5	-60.8	0	0	0	0	112.7	A54 P55 D59	A54-C57 PolarHBondContact O-N 2.86Å; P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 2.75Å; C57-D59 VanDerWaalsContact C-N 3.33Å
58	G	84	Confident	92.7	Very high	29 Å²	29	38 Å²	38	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-5.5	-179.5	0	0	0	0	0	115.2	A54 P55 F81 G82	A54-G58 PolarHBondContact O-N 2.87Å; P55-G58 PolarHBondContact O-N 2.89Å; G58-F81 WeakPolarHBondContact O-CD1 3.16Å; G58-G82 WeakPolarHBondContact O-CA 3.47Å
59	D	89.2	Confident	92.5	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.107	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.7	177.8	-64.1	-44.8	0	0	0	111.4	G53 A54 C57 F81 G82 C83 H125 L129	G53-D59 WeakPolarHBondContact CA-O 3.19Å; A54-D59 PolarHBondContact N-O 3.38Å; A54-D59 VanDerWaalsContact N-O 3.09Å; C57-D59 VanDerWaalsContact C-N 3.33Å; D59-F81 CarbonylContact C-O 3.53Å; D59-F81 VanDerWaalsContact CA-O 3.29Å; D59-F81 WeakPolarHBondContact CA-O 3.5Å; D59-G82 WeakPolarHBondContact OD1-CA 3.41Å; D59-C83 PolarHBondContact OD1-N 2.85Å; D59-H125 IonicContact OD2-CD2 3.32Å; D59-H125 PolarHBondContact OD2-CD2 3.09Å; D59-H125 IonicContact OD2-NE2 3.18Å; D59-H125 PolarHBondContact OD2-NE2 2.84Å; D59-L129 HydrophobicContact CB-CD2 3.8Å
60	V	93.7	Very high	92.2	Very high	31 Å²	31	53.3 Å²	53.3	19%	0.188	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.8	174.2	-179.9	0	0	0	0	108.4	L51 P55 T80 F81	L51-V60 HydrophobicContact CD1-CG1 3.82Å; P55-V60 HydrophobicContact CB-CG2 4.46Å; P55-V60 HydrophobicContact CG-CG2 4Å; V60-T80 CarbonylContact O-C 3.56Å; V60-T80 WeakPolarHBondContact O-CA 3.41Å; V60-F81 HydrophobicContact CB-CB 4.5Å; V60-F81 PolarHBondContact N-O 2.67Å; V60-F81 PolarHBondContact O-N 2.99Å
61	M	95	Very high	92	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.9	-178.6	-175	176	-43.7	0	0	110.4	L51 V52 T80 S90 L129 A130 A133	L51-M61 WeakPolarHBondContact CA-O 3.45Å; V52-M61 HydrophobicContact CG2-CB 4.06Å; V52-M61 PolarHBondContact N-O 2.95Å; V52-M61 PolarHBondContact O-N 3.38Å; M61-T80 HydrophobicContact CB-CG2 4.36Å; M61-T80 WeakPolarHBondContact CG-OG1 3.17Å; M61-S90 WeakPolarHBondContact CE-OG 3.36Å; M61-S90 WeakPolarHBondContact CG-OG 3.4Å; M61-S90 PolarHBondContact SD-OG 2.87Å; M61-L129 HydrophobicContact CB-CD2 3.99Å; M61-L129 HydrophobicContact CB-CG 4.12Å; M61-L129 HydrophobicContact CE-CB 4.23Å; M61-L129 HydrophobicContact CE-CD2 4.07Å; M61-L129 HydrophobicContact CE-CG 4.03Å; M61-A130 HydrophobicContact CE-CB 3.98Å; M61-A130 HydrophobicContact SD-CB 4.19Å; M61-A133 HydrophobicContact CG-CB 3.94Å; M61-A133 HydrophobicContact SD-CB 3.57Å; M61-A133 VanDerWaalsContact SD-CB 3.57Å
62	K	95.8	Very high	92	Very high	34 Å²	34	53.6 Å²	53.6	15%	0.148	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.8	168.6	-169.3	-167.4	179.1	-149.3	0	108.8	T49 G50 L51 F78 K79	T49-K62 HydrophobicContact CG2-CG 4.48Å; G50-K62 CarbonylContact O-C 3.51Å; G50-K62 VanDerWaalsContact O-CA 3.32Å; G50-K62 WeakPolarHBondContact O-CA 3.2Å; L51-K62 HydrophobicContact CD1-CB 3.84Å; L51-K62 HydrophobicContact CD1-CG 4.23Å; K62-F78 CarbonylContact O-C 3.57Å; K62-F78 WeakPolarHBondContact O-CA 3.08Å; K62-K79 WeakPolarHBondContact CA-O 3.48Å; K62-K79 HydrophobicContact CB-CB 4.45Å; K62-K79 WeakPolarHBondContact CB-O 3.4Å; K62-K79 PolarHBondContact N-O 2.97Å; K62-K79 PolarHBondContact O-N 3.46Å
63	L	96.8	Very high	92.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.7	175.3	-169.6	150.4	0	0	0	109	G50 I65 A93 T94 A133 I134 A137	G50-L63 PolarHBondContact N-O 3.39Å; G50-L63 PolarHBondContact O-N 2.99Å; L63-I65 HydrophobicContact CD2-CG2 3.62Å; L63-A93 HydrophobicContact CD1-CB 4.21Å; L63-T94 HydrophobicContact CD1-CG2 3.99Å; L63-T94 HydrophobicContact CG-CG2 4.15Å; L63-A133 HydrophobicContact CB-CB 3.93Å; L63-A133 HydrophobicContact CD1-CB 4.46Å; L63-I134 HydrophobicContact CD1-CG1 4.01Å; L63-A137 HydrophobicContact CD2-CB 3.9Å
64	Q	97.4	Very high	92.3	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	177.5	-61.2	-176.5	-87.1	0	0	109.3	S39 L40 V47 G48 T49 A76 K77	S39-Q64 VanDerWaalsContact CA-OE1 3.27Å; S39-Q64 VanDerWaalsContact CB-OE1 3.27Å; L40-Q64 HydrophobicContact CB-CB 4.26Å; L40-Q64 HydrophobicContact CD1-CB 3.99Å; L40-Q64 HydrophobicContact CG-CB 4.33Å; L40-Q64 PolarHBondContact O-NE2 2.98Å; L40-Q64 PolarHBondContact O-OE1 2.8Å; V47-Q64 HydrophobicContact CG1-CB 4.42Å; G48-Q64 CarbonylContact O-C 3.57Å; G48-Q64 VanDerWaalsContact O-CA 3.23Å; G48-Q64 WeakPolarHBondContact O-CA 3.41Å; T49-Q64 HydrophobicContact CG2-CG 3.94Å; T49-Q64 PolarHBondContact OG1-NE2 3.32Å; Q64-A76 CarbonylContact O-C 3.52Å; Q64-A76 WeakPolarHBondContact O-CA 3.34Å; Q64-K77 PolarHBondContact N-O 3.44Å; Q64-K77 PolarHBondContact O-N 3.33Å
65	I	97.4	Very high	92.7	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.8	175.6	60.4	-179.7	0	0	0	109.1	V47 G48 L63 V67 I73 A76 V97 I102 A137 I138	V47-I65 CarbonylContact C-O 3.5Å; V47-I65 VanDerWaalsContact CA-O 3.24Å; V47-I65 WeakPolarHBondContact CA-O 3.35Å; G48-I65 PolarHBondContact N-O 3.17Å; G48-I65 PolarHBondContact O-N 3.39Å; L63-I65 HydrophobicContact CD2-CG2 3.62Å; I65-V67 HydrophobicContact CD1-CG2 4.46Å; I65-V67 HydrophobicContact CG1-CG2 4.43Å; I65-I73 HydrophobicContact CB-CG2 4.12Å; I65-I73 HydrophobicContact CD1-CD1 4.24Å; I65-I73 HydrophobicContact CG2-CD1 4.35Å; I65-I73 HydrophobicContact CG2-CG2 4.29Å; I65-A76 HydrophobicContact CG2-CB 4.24Å; I65-V97 HydrophobicContact CG2-CG2 4.23Å; I65-I102 HydrophobicContact CD1-CD1 4.06Å; I65-A137 HydrophobicContact CD1-CB 4.24Å; I65-A137 HydrophobicContact CG1-CB 4.17Å; I65-I138 HydrophobicContact CD1-CG1 3.85Å
66	K	96.9	Very high	93.3	Very high	63 Å²	63	49 Å²	49	27%	0.274	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.4	169.2	-173.7	167	178.1	134.4	0	109	L40 D44 S46 V47 I73 I74 D75	L40-K66 HydrophobicContact CD1-CB 3.91Å; D44-K66 IonicContact OD2-NZ 2.79Å; D44-K66 PolarHBondContact OD2-NZ 3.15Å; S46-K66 WeakPolarHBondContact O-CA 3.31Å; S46-K66 WeakPolarHBondContact OG-CE 3.23Å; V47-K66 HydrophobicContact CG2-CB 4.17Å; V47-K66 HydrophobicContact CG2-CD 4.36Å; V47-K66 HydrophobicContact CG2-CG 4.11Å; K66-I73 CarbonylContact O-C 3.47Å; K66-I73 WeakPolarHBondContact O-CA 3.16Å; K66-I74 HydrophobicContact CB-CG1 4.1Å; K66-I74 HydrophobicContact CD-CD1 3.97Å; K66-I74 HydrophobicContact CD-CG1 4.34Å; K66-I74 HydrophobicContact CG-CD1 3.93Å; K66-I74 HydrophobicContact CG-CG1 3.88Å; K66-I74 WeakPolarHBondContact O-CG1 3.45Å; K66-I74 PolarHBondContact O-N 3.34Å; K66-D75 HydrophobicContact CB-CB 4.39Å; K66-D75 PolarHBondContact N-O 3.42Å
67	V	96.5	Very high	93.9	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.9	-173.8	-164.2	0	0	0	0	109.1	S46 I65 K72 I102 Y141	S46-V67 WeakPolarHBondContact CB-O 3.36Å; S46-V67 PolarHBondContact O-N 3.42Å; I65-V67 HydrophobicContact CD1-CG2 4.46Å; I65-V67 HydrophobicContact CG1-CG2 4.43Å; V67-K72 CarbonylContact C-O 3.55Å; V67-K72 WeakPolarHBondContact CA-O 3.2Å; V67-I102 HydrophobicContact CG1-CD1 4.18Å; V67-I102 HydrophobicContact CG1-CG1 4.22Å; V67-I102 HydrophobicContact CG2-CD1 3.75Å; V67-Y141 HydrophobicContact CB-CD2 4.2Å; V67-Y141 HydrophobicContact CB-CE1 4.22Å; V67-Y141 HydrophobicContact CB-CE2 3.59Å; V67-Y141 HydrophobicContact CG1-CE1 4.06Å; V67-Y141 HydrophobicContact CG1-CE2 4.23Å; V67-Y141 HydrophobicContact CG2-CD1 4.05Å; V67-Y141 HydrophobicContact CG2-CD2 3.66Å; V67-Y141 HydrophobicContact CG2-CE1 3.98Å; V67-Y141 HydrophobicContact CG2-CE2 3.58Å; V67-Y141 HydrophobicContact CG2-CG 3.9Å
68	D	94.7	Very high	94.7	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	22%	0.216	C	C	.	.			trans	-81.7	177.3	171.4	69.4	10.9	0	0	0	112.3	N70 G71 K72 I74	D68-N70 PolarHBondContact O-N 3.14Å; D68-N70 WeakPolarHBondContact OD1-CA 3.45Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 3.05Å; D68-G71 PolarHBondContact O-N 2.89Å; D68-G71 VanDerWaalsContact O-N 3.1Å; D68-G71 PolarHBondContact OD1-N 3.44Å; D68-K72 PolarHBondContact N-O 2.77Å; D68-K72 WeakPolarHBondContact OD1-CA 3.36Å; D68-K72 WeakPolarHBondContact OD1-CB 3.49Å; D68-K72 PolarHBondContact OD1-N 3.46Å; D68-I74 HydrophobicContact CB-CG2 3.76Å
69	E	91	Very high	95.2	Very high	204 Å²	204	45.3 Å²	45.3	95%	0.953	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	177.7	-60	176.1	171.5	0	0	113	G71	E69-G71 VanDerWaalsContact C-N 3.35Å
70	N	91.1	Very high	95.5	Very high	144 Å²	144	45.7 Å²	45.7	77%	0.77	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.5	178	-56.9	-58.6	0	0	0	112.8	D68	D68-N70 PolarHBondContact O-N 3.14Å; D68-N70 WeakPolarHBondContact OD1-CA 3.45Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 3.05Å
71	G	91.6	Very high	95.4	Very high	22 Å²	22	51.2 Å²	51.2	23%	0.227	25%	0.249	C	C	.	.	S	Bend	trans	80.1	18.4	-178	0	0	0	0	0	114.5	D68 E69 T101 I102	D68-G71 PolarHBondContact O-N 2.89Å; D68-G71 VanDerWaalsContact O-N 3.1Å; D68-G71 PolarHBondContact OD1-N 3.44Å; E69-G71 VanDerWaalsContact C-N 3.35Å; G71-T101 WeakPolarHBondContact O-CA 3.46Å; G71-I102 PolarHBondContact O-N 2.84Å
72	K	95.8	Very high	95.2	Very high	102 Å²	102	52.4 Å²	52.4	44%	0.443	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-100.8	138.6	177.9	-168.5	-178.9	-174.7	-179.5	0	111.2	V67 D68 I74 G99	V67-K72 CarbonylContact C-O 3.55Å; V67-K72 WeakPolarHBondContact CA-O 3.2Å; D68-K72 PolarHBondContact N-O 2.77Å; D68-K72 WeakPolarHBondContact OD1-CA 3.36Å; D68-K72 WeakPolarHBondContact OD1-CB 3.49Å; D68-K72 PolarHBondContact OD1-N 3.46Å; K72-I74 PolarHBondContact O-N 3.25Å; K72-G99 WeakPolarHBondContact CE-O 3.36Å
73	I	96.8	Very high	94.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	108.8	178.8	-59.9	170.7	0	0	0	109.1	I65 K66 D75 V97 G99 K100 I102 A105	I65-I73 HydrophobicContact CB-CG2 4.12Å; I65-I73 HydrophobicContact CD1-CD1 4.24Å; I65-I73 HydrophobicContact CG2-CD1 4.35Å; I65-I73 HydrophobicContact CG2-CG2 4.29Å; K66-I73 CarbonylContact O-C 3.47Å; K66-I73 WeakPolarHBondContact O-CA 3.16Å; I73-D75 WeakPolarHBondContact CG2-O 3.4Å; I73-V97 WeakPolarHBondContact CB-O 3.34Å; I73-V97 HydrophobicContact CD1-CB 4Å; I73-G99 WeakPolarHBondContact O-CA 3.18Å; I73-G99 PolarHBondContact O-N 2.93Å; I73-K100 WeakPolarHBondContact CB-O 3.5Å; I73-K100 WeakPolarHBondContact CG1-O 2.91Å; I73-K100 PolarHBondContact N-O 3.29Å; I73-I102 HydrophobicContact CD1-CD1 4.3Å; I73-I102 HydrophobicContact CG1-CD1 4.1Å; I73-A105 HydrophobicContact CD1-CB 3.61Å
74	I	96.7	Very high	94.6	Very high	89 Å²	89	53 Å²	53	46%	0.456	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-30.6	-179	56.9	167.7	0	0	0	112.9	K66 D68 K72	K66-I74 HydrophobicContact CB-CG1 4.1Å; K66-I74 HydrophobicContact CD-CD1 3.97Å; K66-I74 HydrophobicContact CD-CG1 4.34Å; K66-I74 HydrophobicContact CG-CD1 3.93Å; K66-I74 HydrophobicContact CG-CG1 3.88Å; K66-I74 WeakPolarHBondContact O-CG1 3.45Å; K66-I74 PolarHBondContact O-N 3.34Å; D68-I74 HydrophobicContact CB-CG2 3.76Å; K72-I74 PolarHBondContact O-N 3.25Å
75	D	96.6	Very high	94.3	Very high	33 Å²	33	53 Å²	53	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.7	175.4	-162	22.6	0	0	0	110.3	K66 I73 K77 K98	K66-D75 HydrophobicContact CB-CB 4.39Å; K66-D75 PolarHBondContact N-O 3.42Å; I73-D75 WeakPolarHBondContact CG2-O 3.4Å; D75-K77 VanDerWaalsContact CG-NZ 3.31Å; D75-K77 IonicContact OD1-NZ 3.01Å; D75-K77 PolarHBondContact OD1-NZ 2.74Å; D75-K77 WeakPolarHBondContact OD2-CE 3Å; D75-K77 IonicContact OD2-NZ 2.77Å; D75-K77 PolarHBondContact OD2-NZ 3.2Å; D75-K98 WeakPolarHBondContact OD1-CE 3.41Å; D75-K98 IonicContact OD1-NZ 2.8Å; D75-K98 PolarHBondContact OD1-NZ 3.37Å
76	A	97.2	Very high	94.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.4	172.1	0	0	0	0	0	107.8	N36 Q64 I65 T94 V97 K98	N36-A76 VanDerWaalsContact CB-O 3.23Å; N36-A76 WeakPolarHBondContact CB-O 2.92Å; Q64-A76 CarbonylContact O-C 3.52Å; Q64-A76 WeakPolarHBondContact O-CA 3.34Å; I65-A76 HydrophobicContact CG2-CB 4.24Å; A76-T94 HydrophobicContact CB-CG2 4.25Å; A76-V97 HydrophobicContact CB-CG2 3.54Å; A76-K98 HydrophobicContact CB-CD 4.21Å; A76-K98 HydrophobicContact CB-CG 3.78Å
77	K	97.6	Very high	94	Very high	47 Å²	47	51.6 Å²	51.6	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.9	177.4	-63	-64.9	-173.9	-118.4	0	109.9	N36 L40 Q64 D75	N36-K77 HydrophobicContact CB-CD 4.37Å; N36-K77 VanDerWaalsContact O-CA 3.28Å; N36-K77 WeakPolarHBondContact O-CA 3.42Å; N36-K77 WeakPolarHBondContact O-CD 3.38Å; L40-K77 HydrophobicContact CD1-CG 4.34Å; L40-K77 HydrophobicContact CD2-CG 3.88Å; L40-K77 HydrophobicContact CG-CB 4.2Å; L40-K77 HydrophobicContact CG-CG 3.75Å; Q64-K77 PolarHBondContact N-O 3.44Å; Q64-K77 PolarHBondContact O-N 3.33Å; D75-K77 VanDerWaalsContact CG-NZ 3.31Å; D75-K77 IonicContact OD1-NZ 3.01Å; D75-K77 PolarHBondContact OD1-NZ 2.74Å; D75-K77 WeakPolarHBondContact OD2-CE 3Å; D75-K77 IonicContact OD2-NZ 2.77Å; D75-K77 PolarHBondContact OD2-NZ 3.2Å
78	F	97.1	Very high	93.9	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.5	173.7	82.8	-81.4	0	0	0	113.5	P34 R35 N36 V37 G38 K62 T80 I87 T94	P34-F78 HydrophobicContact CB-CE1 4.46Å; P34-F78 HydrophobicContact CB-CZ 4Å; R35-F78 WeakPolarHBondContact O-CE1 3.39Å; N36-F78 PolarHBondContact O-N 3.49Å; N36-F78 VanDerWaalsContact O-N 3.11Å; V37-F78 HydrophobicContact CG2-CE1 3.85Å; V37-F78 HydrophobicContact CG2-CZ 3.89Å; G38-F78 PolarHBondContact N-O 3.34Å; G38-F78 VanDerWaalsContact N-O 3.09Å; K62-F78 CarbonylContact O-C 3.57Å; K62-F78 WeakPolarHBondContact O-CA 3.08Å; F78-T80 WeakPolarHBondContact CD2-OG1 3.36Å; F78-I87 HydrophobicContact CE2-CG2 4.39Å; F78-I87 HydrophobicContact CZ-CG2 4.37Å; F78-T94 HydrophobicContact CB-CG2 3.67Å; F78-T94 HydrophobicContact CD1-CG2 3.87Å; F78-T94 HydrophobicContact CG-CG2 4.14Å
79	K	95.5	Very high	93.9	Very high	109 Å²	109	49.6 Å²	49.6	47%	0.474	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	124.8	161	-62.7	-169.4	178	-177.9	0	108.1	G38 K62	G38-K79 WeakPolarHBondContact O-CE 3.5Å; G38-K79 VanDerWaalsContact O-CG 3.31Å; G38-K79 WeakPolarHBondContact O-CG 3.27Å; K62-K79 WeakPolarHBondContact CA-O 3.48Å; K62-K79 HydrophobicContact CB-CB 4.45Å; K62-K79 WeakPolarHBondContact CB-O 3.4Å; K62-K79 PolarHBondContact N-O 2.97Å; K62-K79 PolarHBondContact O-N 3.46Å
80	T	94.3	Very high	94	Very high	27 Å²	27	39.9 Å²	39.9	17%	0.166	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.3	-179.2	-59	0	0	0	0	109.3	V60 M61 F78 A86 S90	V60-T80 CarbonylContact O-C 3.56Å; V60-T80 WeakPolarHBondContact O-CA 3.41Å; M61-T80 HydrophobicContact CB-CG2 4.36Å; M61-T80 WeakPolarHBondContact CG-OG1 3.17Å; F78-T80 WeakPolarHBondContact CD2-OG1 3.36Å; T80-A86 HydrophobicContact CG2-CB 4.07Å; T80-S90 VanDerWaalsContact OG1-CB 3.29Å; T80-S90 WeakPolarHBondContact OG1-CB 3.18Å; T80-S90 PolarHBondContact OG1-OG 3.39Å
81	F	92.4	Very high	94.3	Very high	147 Å²	147	33 Å²	33	65%	0.645	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.9	164.4	178.8	-98.5	0	0	0	106.6	G58 D59 V60	G58-F81 WeakPolarHBondContact O-CD1 3.16Å; D59-F81 CarbonylContact C-O 3.53Å; D59-F81 VanDerWaalsContact CA-O 3.29Å; D59-F81 WeakPolarHBondContact CA-O 3.5Å; V60-F81 HydrophobicContact CB-CB 4.5Å; V60-F81 PolarHBondContact N-O 2.67Å; V60-F81 PolarHBondContact O-N 2.99Å
82	G	90	Very high	94.5	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	17%	0.165	S	C	.	.	S	Bend	trans	167.7	-176	-175	0	0	0	0	0	113.3	G58 D59	G58-G82 WeakPolarHBondContact O-CA 3.47Å; D59-G82 WeakPolarHBondContact OD1-CA 3.41Å
83	C	90.1	Very high	94.5	Very high	33 Å²	33	27.5 Å²	27.5	22%	0.223	14%	0.144	C	C	.	.			trans	-66.1	164.2	175.4	68.4	0	0	0	0	112	D59 S85 A86 I87 K123 C126	D59-C83 PolarHBondContact OD1-N 2.85Å; C83-S85 PolarHBondContact O-N 2.81Å; C83-S85 VanDerWaalsContact O-N 3.11Å; C83-A86 WeakPolarHBondContact O-CA 3.42Å; C83-A86 WeakPolarHBondContact O-CB 3.42Å; C83-A86 PolarHBondContact O-N 3.41Å; C83-I87 PolarHBondContact O-N 2.94Å; C83-K123 PolarHBondContact SG-NZ 2.9Å; C83-K123 VanDerWaalsContact SG-NZ 3.42Å; C83-C126 VanDerWaalsContact SG-SG 3.7Å
84	G	90	Very high	94.4	Very high	15 Å²	15	27.5 Å²	27.5	16%	0.155	14%	0.144	C	C	.	.	H	α-helix	trans	-55.3	-32.9	-179.5	0	0	0	0	0	113.6	I87 A88	G84-I87 PolarHBondContact O-N 2.99Å; G84-A88 WeakPolarHBondContact O-CB 3.29Å; G84-A88 PolarHBondContact O-N 2.88Å
85	S	91.4	Very high	94.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-37.2	172.5	-56.4	0	0	0	0	113.3	Y23 C83 A88 S89	Y23-S85 WeakPolarHBondContact CE1-OG 3.36Å; C83-S85 PolarHBondContact O-N 2.81Å; C83-S85 VanDerWaalsContact O-N 3.11Å; S85-A88 PolarHBondContact O-N 3.42Å; S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 3.33Å; S85-S89 PolarHBondContact O-OG 2.8Å; S85-S89 VanDerWaalsContact O-OG 3.06Å
86	A	92.9	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-43.5	177.2	0	0	0	0	0	111	T80 C83 A88 S89 S90 C126	T80-A86 HydrophobicContact CG2-CB 4.07Å; C83-A86 WeakPolarHBondContact O-CA 3.42Å; C83-A86 WeakPolarHBondContact O-CB 3.42Å; C83-A86 PolarHBondContact O-N 3.41Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 3.22Å; A86-S89 PolarHBondContact O-N 2.85Å; A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.39Å; A86-C126 HydrophobicContact CB-CB 4.46Å
87	I	93.8	Very high	94.3	Very high	35 Å²	35	28.6 Å²	28.6	18%	0.179	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-44.9	175.1	-65.4	166.5	0	0	0	110.5	Y31 P34 F78 C83 G84 S90 S91	Y31-I87 HydrophobicContact CD2-CB 4.36Å; Y31-I87 HydrophobicContact CD2-CD1 3.97Å; Y31-I87 HydrophobicContact CD2-CG2 4.4Å; Y31-I87 HydrophobicContact CE2-CD1 3.79Å; P34-I87 HydrophobicContact CB-CG2 4.44Å; F78-I87 HydrophobicContact CE2-CG2 4.39Å; F78-I87 HydrophobicContact CZ-CG2 4.37Å; C83-I87 PolarHBondContact O-N 2.94Å; G84-I87 PolarHBondContact O-N 2.99Å; I87-S90 PolarHBondContact O-N 2.95Å; I87-S91 WeakPolarHBondContact O-CB 3.31Å; I87-S91 PolarHBondContact O-N 2.82Å
88	A	94.6	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-45.7	177.6	0	0	0	0	0	112.5	V27 H30 G84 S85 A86 S90 S91 L92 L117	V27-A88 HydrophobicContact CB-CB 4.3Å; V27-A88 HydrophobicContact CG1-CB 3.89Å; V27-A88 HydrophobicContact CG2-CB 4.49Å; H30-A88 HydrophobicContact CB-CB 3.79Å; G84-A88 WeakPolarHBondContact O-CB 3.29Å; G84-A88 PolarHBondContact O-N 2.88Å; S85-A88 PolarHBondContact O-N 3.42Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 3.22Å; A88-S90 VanDerWaalsContact C-N 3.34Å; A88-S90 PolarHBondContact O-N 3.34Å; A88-S91 PolarHBondContact O-N 3.07Å; A88-L92 WeakPolarHBondContact O-CB 3.42Å; A88-L92 PolarHBondContact O-N 3.2Å; A88-L117 HydrophobicContact CB-CD1 4.1Å; A88-L117 HydrophobicContact CB-CD2 4.25Å
89	S	94.5	Very high	94.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-41.8	175.9	-66.6	0	0	0	0	112.2	S85 A86 A93 L117	S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 3.33Å; S85-S89 PolarHBondContact O-OG 2.8Å; S85-S89 VanDerWaalsContact O-OG 3.06Å; A86-S89 PolarHBondContact O-N 2.85Å; S89-A93 WeakPolarHBondContact O-CB 3.32Å; S89-A93 PolarHBondContact O-N 3.38Å; S89-L117 WeakPolarHBondContact OG-CD1 3.44Å
90	S	94.6	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-44.3	176.4	-54.5	0	0	0	0	112.8	M61 T80 A86 I87 A88 A93 T94	M61-S90 WeakPolarHBondContact CE-OG 3.36Å; M61-S90 WeakPolarHBondContact CG-OG 3.4Å; M61-S90 PolarHBondContact SD-OG 2.87Å; T80-S90 VanDerWaalsContact OG1-CB 3.29Å; T80-S90 WeakPolarHBondContact OG1-CB 3.18Å; T80-S90 PolarHBondContact OG1-OG 3.39Å; A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.39Å; I87-S90 PolarHBondContact O-N 2.95Å; A88-S90 VanDerWaalsContact C-N 3.34Å; A88-S90 PolarHBondContact O-N 3.34Å; S90-A93 PolarHBondContact O-N 2.7Å; S90-T94 WeakPolarHBondContact O-CG2 3.47Å; S90-T94 PolarHBondContact O-N 3.16Å; S90-T94 PolarHBondContact O-OG1 2.96Å
91	S	96	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-51.4	177.7	-179.4	0	0	0	0	110.2	H30 R35 I87 A88 A93 T94 E95	H30-S91 WeakPolarHBondContact ND1-CB 3.42Å; H30-S91 PolarHBondContact ND1-OG 2.74Å; R35-S91 PolarHBondContact N-OG 3.32Å; I87-S91 WeakPolarHBondContact O-CB 3.31Å; I87-S91 PolarHBondContact O-N 2.82Å; A88-S91 PolarHBondContact O-N 3.07Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.49Å; S91-T94 PolarHBondContact O-N 3.05Å; S91-T94 PolarHBondContact O-OG1 3.42Å; S91-E95 PolarHBondContact O-N 3.45Å; S91-E95 VanDerWaalsContact O-N 3.15Å
92	L	95.8	Very high	94.4	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-44.6	179.4	-176.8	66.1	0	0	0	111.6	A88 T94 E95 W96 I113 E116 L117	A88-L92 WeakPolarHBondContact O-CB 3.42Å; A88-L92 PolarHBondContact O-N 3.2Å; L92-T94 VanDerWaalsContact C-N 3.33Å; L92-T94 PolarHBondContact O-N 2.95Å; L92-E95 PolarHBondContact O-N 3.49Å; L92-W96 HydrophobicContact CD1-CD2 4.5Å; L92-W96 HydrophobicContact CD1-CZ2 4.24Å; L92-W96 HydrophobicContact CD2-CH2 4.41Å; L92-W96 HydrophobicContact CD2-CZ2 4.06Å; L92-W96 HydrophobicContact CG-CD2 4.3Å; L92-W96 HydrophobicContact CG-CZ2 4.27Å; L92-W96 PolarHBondContact O-N 2.92Å; L92-I113 HydrophobicContact CD2-CG2 4.31Å; L92-E116 HydrophobicContact CD1-CG 4.23Å; L92-E116 HydrophobicContact CD2-CB 3.75Å; L92-E116 HydrophobicContact CD2-CG 3.66Å; L92-L117 HydrophobicContact CD2-CD1 4.26Å; L92-L117 HydrophobicContact CD2-CD2 4.09Å; L92-L117 HydrophobicContact CD2-CG 3.8Å
93	A	95.7	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-45.9	175.8	0	0	0	0	0	111.9	L63 S89 S90 S91 E95 W96 V97 I113 A130 I134	L63-A93 HydrophobicContact CD1-CB 4.21Å; S89-A93 WeakPolarHBondContact O-CB 3.32Å; S89-A93 PolarHBondContact O-N 3.38Å; S90-A93 PolarHBondContact O-N 2.7Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.49Å; A93-E95 VanDerWaalsContact C-N 3.32Å; A93-E95 PolarHBondContact O-N 3.45Å; A93-W96 PolarHBondContact O-N 3.43Å; A93-V97 WeakPolarHBondContact O-CG1 3.43Å; A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.33Å; A93-I113 HydrophobicContact CB-CD1 4.44Å; A93-A130 HydrophobicContact CB-CB 4.28Å; A93-I134 HydrophobicContact CB-CD1 4Å; A93-I134 HydrophobicContact CB-CG1 4.43Å
94	T	96.4	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-33.9	178.3	58.1	0	0	0	0	113.7	R35 N36 L63 A76 F78 S90 S91 L92 V97 K98	R35-T94 PolarHBondContact O-OG1 2.98Å; N36-T94 PolarHBondContact ND2-OG1 3.11Å; N36-T94 VanDerWaalsContact ND2-OG1 3.15Å; L63-T94 HydrophobicContact CD1-CG2 3.99Å; L63-T94 HydrophobicContact CG-CG2 4.15Å; A76-T94 HydrophobicContact CB-CG2 4.25Å; F78-T94 HydrophobicContact CB-CG2 3.67Å; F78-T94 HydrophobicContact CD1-CG2 3.87Å; F78-T94 HydrophobicContact CG-CG2 4.14Å; S90-T94 WeakPolarHBondContact O-CG2 3.47Å; S90-T94 PolarHBondContact O-N 3.16Å; S90-T94 PolarHBondContact O-OG1 2.96Å; S91-T94 PolarHBondContact O-N 3.05Å; S91-T94 PolarHBondContact O-OG1 3.42Å; L92-T94 VanDerWaalsContact C-N 3.33Å; L92-T94 PolarHBondContact O-N 2.95Å; T94-V97 WeakPolarHBondContact O-CG2 3.32Å; T94-K98 VanDerWaalsContact O-CG 3.27Å; T94-K98 WeakPolarHBondContact O-CG 3.22Å; T94-K98 PolarHBondContact O-N 3.46Å
95	E	96.2	Very high	95.1	Very high	73 Å²	73	30.2 Å²	30.2	34%	0.341	16%	0.156	S	C	.	.	H	α-helix	trans	-70.2	-41.4	175.8	-74	176.6	93.1	0	0	111.6	H30 R35 N36 S91 L92 A93 K98	H30-E95 IonicContact CE1-OE2 3.39Å; H30-E95 PolarHBondContact CE1-OE2 3.32Å; H30-E95 IonicContact ND1-OE2 3.15Å; H30-E95 PolarHBondContact ND1-OE2 2.95Å; R35-E95 HydrophobicContact CB-CG 3.84Å; R35-E95 WeakPolarHBondContact CB-OE2 3.23Å; R35-E95 WeakPolarHBondContact CD-OE2 3.48Å; R35-E95 HydrophobicContact CG-CG 4.4Å; R35-E95 WeakPolarHBondContact CG-OE2 3.27Å; N36-E95 WeakPolarHBondContact ND2-CG 3.47Å; S91-E95 PolarHBondContact O-N 3.45Å; S91-E95 VanDerWaalsContact O-N 3.15Å; L92-E95 PolarHBondContact O-N 3.49Å; A93-E95 VanDerWaalsContact C-N 3.32Å; A93-E95 PolarHBondContact O-N 3.45Å; E95-K98 PolarHBondContact O-N 3Å
96	W	95.5	Very high	95.3	Very high	73 Å²	73	31.9 Å²	31.9	28%	0.277	17%	0.17	S	C	.	.	H	α-helix	trans	-68.3	-36.1	-179.6	-76.5	9.8	0	0	0	113.6	L92 A93 K98 K100 I108 D112 I113 E116	L92-W96 HydrophobicContact CD1-CD2 4.5Å; L92-W96 HydrophobicContact CD1-CZ2 4.24Å; L92-W96 HydrophobicContact CD2-CH2 4.41Å; L92-W96 HydrophobicContact CD2-CZ2 4.06Å; L92-W96 HydrophobicContact CG-CD2 4.3Å; L92-W96 HydrophobicContact CG-CZ2 4.27Å; L92-W96 PolarHBondContact O-N 2.92Å; A93-W96 PolarHBondContact O-N 3.43Å; W96-K98 VanDerWaalsContact C-N 3.33Å; W96-K100 WeakPolarHBondContact O-CD 3.41Å; W96-K100 WeakPolarHBondContact O-CE 3.44Å; W96-K100 WeakPolarHBondContact O-CG 3.29Å; W96-I108 HydrophobicContact CB-CD1 4.04Å; W96-I108 HydrophobicContact CE3-CG2 3.95Å; W96-I108 HydrophobicContact CZ3-CG2 4.31Å; W96-D112 HydrophobicContact CH2-CB 3.95Å; W96-D112 HydrophobicContact CZ3-CB 3.71Å; W96-I113 HydrophobicContact CE3-CG1 4.19Å; W96-I113 HydrophobicContact CZ3-CG1 3.83Å; W96-E116 HydrophobicContact CH2-CB 3.99Å; W96-E116 HydrophobicContact CH2-CG 4.44Å; W96-E116 HydrophobicContact CZ2-CB 3.87Å; W96-E116 HydrophobicContact CZ2-CG 3.81Å
97	V	96.3	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.5	-26.6	178.5	-62.5	0	0	0	0	112.4	I65 I73 A76 A93 T94 G99 K100 A105 I108 I134	I65-V97 HydrophobicContact CG2-CG2 4.23Å; I73-V97 WeakPolarHBondContact CB-O 3.34Å; I73-V97 HydrophobicContact CD1-CB 4Å; A76-V97 HydrophobicContact CB-CG2 3.54Å; A93-V97 WeakPolarHBondContact O-CG1 3.43Å; A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.33Å; T94-V97 WeakPolarHBondContact O-CG2 3.32Å; V97-G99 PolarHBondContact O-N 3.28Å; V97-K100 PolarHBondContact O-N 2.98Å; V97-K100 VanDerWaalsContact O-N 3.14Å; V97-A105 HydrophobicContact CB-CB 4.45Å; V97-A105 HydrophobicContact CG1-CB 4.16Å; V97-I108 HydrophobicContact CG1-CD1 3.78Å; V97-I134 HydrophobicContact CG1-CD1 3.9Å; V97-I134 HydrophobicContact CG1-CG1 3.99Å; V97-I134 HydrophobicContact CG1-CG2 4.08Å
98	K	95.3	Very high	95.5	Very high	70 Å²	70	38.1 Å²	38.1	30%	0.304	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	128.8	179.7	-77.9	176.8	71.4	156.4	0	110.3	N36 D75 A76 T94 E95 W96 K100	N36-K98 PolarHBondContact OD1-NZ 3.37Å; D75-K98 WeakPolarHBondContact OD1-CE 3.41Å; D75-K98 IonicContact OD1-NZ 2.8Å; D75-K98 PolarHBondContact OD1-NZ 3.37Å; A76-K98 HydrophobicContact CB-CD 4.21Å; A76-K98 HydrophobicContact CB-CG 3.78Å; T94-K98 VanDerWaalsContact O-CG 3.27Å; T94-K98 WeakPolarHBondContact O-CG 3.22Å; T94-K98 PolarHBondContact O-N 3.46Å; E95-K98 PolarHBondContact O-N 3Å; W96-K98 VanDerWaalsContact C-N 3.33Å; K98-K100 VanDerWaalsContact C-N 3.28Å; K98-K100 PolarHBondContact O-N 2.92Å
99	G	95.6	Very high	95.5	Very high	42 Å²	42	42.4 Å²	42.4	43%	0.433	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-3.5	-177.7	0	0	0	0	0	115	K72 I73 V97	K72-G99 WeakPolarHBondContact CE-O 3.36Å; I73-G99 WeakPolarHBondContact O-CA 3.18Å; I73-G99 PolarHBondContact O-N 2.93Å; V97-G99 PolarHBondContact O-N 3.28Å
100	K	96.2	Very high	95.5	Very high	71 Å²	71	45 Å²	45	31%	0.309	23%	0.229	S	C	.	.			trans	-88.4	155.1	172.5	-70.3	-174.5	-176	-67.4	0	111.4	I73 W96 V97 K98 E104 A105 I108	I73-K100 WeakPolarHBondContact CB-O 3.5Å; I73-K100 WeakPolarHBondContact CG1-O 2.91Å; I73-K100 PolarHBondContact N-O 3.29Å; W96-K100 WeakPolarHBondContact O-CD 3.41Å; W96-K100 WeakPolarHBondContact O-CE 3.44Å; W96-K100 WeakPolarHBondContact O-CG 3.29Å; V97-K100 PolarHBondContact O-N 2.98Å; V97-K100 VanDerWaalsContact O-N 3.14Å; K98-K100 VanDerWaalsContact C-N 3.28Å; K98-K100 PolarHBondContact O-N 2.92Å; K100-E104 HydrophobicContact CB-CB 3.95Å; K100-E104 HydrophobicContact CD-CB 4.2Å; K100-E104 HydrophobicContact CG-CB 4.27Å; K100-A105 HydrophobicContact CB-CB 4.5Å; K100-I108 HydrophobicContact CD-CD1 4.15Å
101	T	96.3	Very high	95.4	Very high	54 Å²	54	48.1 Å²	48.1	33%	0.331	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-71.5	163.5	164.3	59.6	0	0	0	0	111	G71 D103 E104 A105	G71-T101 WeakPolarHBondContact O-CA 3.46Å; T101-D103 VanDerWaalsContact C-N 3.28Å; T101-D103 PolarHBondContact O-N 3.42Å; T101-E104 WeakPolarHBondContact CB-OE2 3.07Å; T101-E104 PolarHBondContact N-OE2 3.13Å; T101-E104 PolarHBondContact O-N 3.18Å; T101-E104 WeakPolarHBondContact OG1-CB 3.47Å; T101-E104 VanDerWaalsContact OG1-CD 3.27Å; T101-E104 WeakPolarHBondContact OG1-CG 3.43Å; T101-E104 PolarHBondContact OG1-N 3.06Å; T101-E104 PolarHBondContact OG1-OE2 3.33Å; T101-A105 WeakPolarHBondContact O-CB 3.44Å; T101-A105 PolarHBondContact O-N 3.35Å
102	I	94.5	Very high	95.4	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-41.7	176.5	-64.5	-60.9	0	0	0	112.4	I65 V67 G71 I73 A105 A106 I138 Y141	I65-I102 HydrophobicContact CD1-CD1 4.06Å; V67-I102 HydrophobicContact CG1-CD1 4.18Å; V67-I102 HydrophobicContact CG1-CG1 4.22Å; V67-I102 HydrophobicContact CG2-CD1 3.75Å; G71-I102 PolarHBondContact O-N 2.84Å; I73-I102 HydrophobicContact CD1-CD1 4.3Å; I73-I102 HydrophobicContact CG1-CD1 4.1Å; I102-A105 PolarHBondContact O-N 2.93Å; I102-A106 WeakPolarHBondContact O-CB 3.36Å; I102-A106 PolarHBondContact O-N 2.96Å; I102-I138 HydrophobicContact CG2-CG1 4.37Å; I102-I138 HydrophobicContact CG2-CG2 3.51Å; I102-Y141 HydrophobicContact CD1-CD1 3.92Å; I102-Y141 HydrophobicContact CD1-CE1 4.15Å; I102-Y141 HydrophobicContact CG1-CD1 4.17Å; I102-Y141 HydrophobicContact CG1-CE1 4.01Å
103	D	94.7	Very high	95.3	Very high	103 Å²	103	51.2 Å²	51.2	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-72.5	-32.4	-179.3	-63.6	-55.1	0	0	0	112.7	T101 K107	T101-D103 VanDerWaalsContact C-N 3.28Å; T101-D103 PolarHBondContact O-N 3.42Å; D103-K107 WeakPolarHBondContact O-CG 3.35Å; D103-K107 PolarHBondContact O-N 2.97Å
104	E	95.9	Very high	95.2	Very high	89 Å²	89	51.6 Å²	51.6	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-71.1	-40.5	172.3	-72.5	171	130.2	0	0	112.1	K100 T101 A106 K107	K100-E104 HydrophobicContact CB-CB 3.95Å; K100-E104 HydrophobicContact CD-CB 4.2Å; K100-E104 HydrophobicContact CG-CB 4.27Å; T101-E104 WeakPolarHBondContact CB-OE2 3.07Å; T101-E104 PolarHBondContact N-OE2 3.13Å; T101-E104 PolarHBondContact O-N 3.18Å; T101-E104 WeakPolarHBondContact OG1-CB 3.47Å; T101-E104 VanDerWaalsContact OG1-CD 3.27Å; T101-E104 WeakPolarHBondContact OG1-CG 3.43Å; T101-E104 PolarHBondContact OG1-N 3.06Å; T101-E104 PolarHBondContact OG1-OE2 3.33Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.97Å; E104-K107 PolarHBondContact O-N 3.17Å; E104-K107 VanDerWaalsContact O-N 3.16Å
105	A	95.7	Very high	95	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-37.6	175.7	0	0	0	0	0	111.3	I73 V97 K100 T101 I102 K107 I108 I138	I73-A105 HydrophobicContact CD1-CB 3.61Å; V97-A105 HydrophobicContact CB-CB 4.45Å; V97-A105 HydrophobicContact CG1-CB 4.16Å; K100-A105 HydrophobicContact CB-CB 4.5Å; T101-A105 WeakPolarHBondContact O-CB 3.44Å; T101-A105 PolarHBondContact O-N 3.35Å; I102-A105 PolarHBondContact O-N 2.93Å; A105-K107 PolarHBondContact O-N 3.41Å; A105-I108 WeakPolarHBondContact O-CB 3.29Å; A105-I108 PolarHBondContact O-N 2.87Å; A105-I138 HydrophobicContact CB-CD1 3.9Å
106	A	95	Very high	94.9	Very high	38 Å²	38	60.5 Å²	60.5	31%	0.314	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-20.3	175.8	0	0	0	0	0	114	I102 E104 I138	I102-A106 WeakPolarHBondContact O-CB 3.36Å; I102-A106 PolarHBondContact O-N 2.96Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.97Å; A106-I138 HydrophobicContact CB-CD1 3.96Å
107	K	95.9	Very high	94.7	Very high	153 Å²	153	57 Å²	57	67%	0.665	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.8	178.2	-72.4	170.2	-174.1	176.7	0	113.5	D103 E104 A105 K109	D103-K107 WeakPolarHBondContact O-CG 3.35Å; D103-K107 PolarHBondContact O-N 2.97Å; E104-K107 PolarHBondContact O-N 3.17Å; E104-K107 VanDerWaalsContact O-N 3.16Å; A105-K107 PolarHBondContact O-N 3.41Å; K107-K109 PolarHBondContact O-N 2.79Å
108	I	94.8	Very high	94.5	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.067	32%	0.324	C	S	.	.			trans	-63.4	123.4	178.5	-63.6	171.8	0	0	0	109.2	W96 V97 K100 A105 I113 I134	W96-I108 HydrophobicContact CB-CD1 4.04Å; W96-I108 HydrophobicContact CE3-CG2 3.95Å; W96-I108 HydrophobicContact CZ3-CG2 4.31Å; V97-I108 HydrophobicContact CG1-CD1 3.78Å; K100-I108 HydrophobicContact CD-CD1 4.15Å; A105-I108 WeakPolarHBondContact O-CB 3.29Å; A105-I108 PolarHBondContact O-N 2.87Å; I108-I113 HydrophobicContact CG2-CD1 4.08Å; I108-I113 HydrophobicContact CG2-CG1 4.22Å; I108-I134 HydrophobicContact CB-CD1 4.35Å; I108-I134 HydrophobicContact CD1-CD1 4.3Å; I108-I134 HydrophobicContact CG2-CD1 4.11Å
109	K	94.9	Very high	94.2	Very high	90 Å²	90	61 Å²	61	39%	0.391	31%	0.314	S	S	.	.			trans	-103.1	149.7	179.4	-64.5	-48.6	-166.5	-176.5	0	112.2	K107 S111 D112 I113 E131	K107-K109 PolarHBondContact O-N 2.79Å; K109-S111 WeakPolarHBondContact CB-OG 3.43Å; K109-S111 PolarHBondContact O-N 2.85Å; K109-D112 PolarHBondContact N-OD2 2.87Å; K109-D112 PolarHBondContact O-N 2.96Å; K109-I113 PolarHBondContact O-N 3.1Å; K109-E131 WeakPolarHBondContact CD-OE1 3.39Å; K109-E131 IonicContact NZ-OE1 2.99Å; K109-E131 PolarHBondContact NZ-OE1 3.09Å
110	N	93.6	Very high	93.8	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-55.3	-32.5	172.2	68.6	80.9	0	0	0	112.3	D112 I113 A114 S127 M128 E131	N110-D112 VanDerWaalsContact C-N 3.29Å; N110-D112 PolarHBondContact O-N 3.29Å; N110-I113 PolarHBondContact O-N 3.05Å; N110-A114 VanDerWaalsContact O-CB 3.32Å; N110-A114 WeakPolarHBondContact O-CB 3.41Å; N110-A114 PolarHBondContact O-N 3.45Å; N110-S127 WeakPolarHBondContact CB-O 3.42Å; N110-S127 WeakPolarHBondContact O-CB 3.4Å; N110-M128 HydrophobicContact CB-CG 4.29Å; N110-E131 HydrophobicContact CB-CB 4.19Å; N110-E131 WeakPolarHBondContact CB-OE2 3.47Å; N110-E131 PolarHBondContact N-OE2 3.38Å; N110-E131 PolarHBondContact ND2-OE2 3.32Å
111	S	93.5	Very high	93.4	Very high	67 Å²	67	64.1 Å²	64.1	47%	0.469	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-37.7	177.4	52.6	0	0	0	0	112.6	K109 K115	K109-S111 WeakPolarHBondContact CB-OG 3.43Å; K109-S111 PolarHBondContact O-N 2.85Å; S111-K115 WeakPolarHBondContact O-CB 3.46Å; S111-K115 PolarHBondContact O-N 3.35Å
112	D	95	Very high	93	Very high	73 Å²	73	67.2 Å²	67.2	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-44.2	-179.4	-57	-39.2	0	0	0	110.1	W96 K109 N110 K115 E116	W96-D112 HydrophobicContact CH2-CB 3.95Å; W96-D112 HydrophobicContact CZ3-CB 3.71Å; K109-D112 PolarHBondContact N-OD2 2.87Å; K109-D112 PolarHBondContact O-N 2.96Å; N110-D112 VanDerWaalsContact C-N 3.29Å; N110-D112 PolarHBondContact O-N 3.29Å; D112-K115 PolarHBondContact O-N 3.1Å; D112-E116 WeakPolarHBondContact O-CB 3.41Å; D112-E116 PolarHBondContact O-N 3.47Å
113	I	94.2	Very high	92.6	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-46.6	175.7	-61.6	175	0	0	0	110.5	L92 A93 W96 I108 K109 N110 K115 E116 L117 A130	L92-I113 HydrophobicContact CD2-CG2 4.31Å; A93-I113 HydrophobicContact CB-CD1 4.44Å; W96-I113 HydrophobicContact CE3-CG1 4.19Å; W96-I113 HydrophobicContact CZ3-CG1 3.83Å; I108-I113 HydrophobicContact CG2-CD1 4.08Å; I108-I113 HydrophobicContact CG2-CG1 4.22Å; K109-I113 PolarHBondContact O-N 3.1Å; N110-I113 PolarHBondContact O-N 3.05Å; I113-K115 VanDerWaalsContact C-N 3.33Å; I113-K115 PolarHBondContact O-N 3.46Å; I113-E116 PolarHBondContact O-N 3.39Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 PolarHBondContact O-N 2.95Å; I113-A130 HydrophobicContact CD1-CB 3.83Å
114	A	93.4	Very high	92.4	Very high	9 Å²	9	67.7 Å²	67.7	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-39.4	179.2	0	0	0	0	0	112.3	N110 K118 L119 L124	N110-A114 VanDerWaalsContact O-CB 3.32Å; N110-A114 WeakPolarHBondContact O-CB 3.41Å; N110-A114 PolarHBondContact O-N 3.45Å; A114-K118 WeakPolarHBondContact O-CA 3.33Å; A114-K118 PolarHBondContact O-N 3.33Å; A114-L119 HydrophobicContact CB-CD1 4.4Å; A114-L119 PolarHBondContact O-N 3.28Å; A114-L124 HydrophobicContact CB-CD2 3.63Å
115	K	93.6	Very high	92	Very high	170 Å²	170	67.2 Å²	67.2	74%	0.739	35%	0.351	S	S	*	.	H	α-helix	trans	-67.1	-43.8	177.7	-175.2	178.9	178.8	-176.8	0	111.5	S111 D112 I113 K118	S111-K115 WeakPolarHBondContact O-CB 3.46Å; S111-K115 PolarHBondContact O-N 3.35Å; D112-K115 PolarHBondContact O-N 3.1Å; I113-K115 VanDerWaalsContact C-N 3.33Å; I113-K115 PolarHBondContact O-N 3.46Å; K115-K118 WeakPolarHBondContact O-CG 3.36Å; K115-K118 PolarHBondContact O-N 3.45Å
116	E	92.9	Very high	91.6	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-42.5	179.6	-172.6	59.4	-145.3	0	0	112.1	N26 L92 W96 D112 I113 K118	N26-E116 PolarHBondContact ND2-O 3.21Å; L92-E116 HydrophobicContact CD1-CG 4.23Å; L92-E116 HydrophobicContact CD2-CB 3.75Å; L92-E116 HydrophobicContact CD2-CG 3.66Å; W96-E116 HydrophobicContact CH2-CB 3.99Å; W96-E116 HydrophobicContact CH2-CG 4.44Å; W96-E116 HydrophobicContact CZ2-CB 3.87Å; W96-E116 HydrophobicContact CZ2-CG 3.81Å; D112-E116 WeakPolarHBondContact O-CB 3.41Å; D112-E116 PolarHBondContact O-N 3.47Å; I113-E116 PolarHBondContact O-N 3.39Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.4Å
117	L	92	Very high	91.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-81.7	-6.4	177.6	-67.5	178.6	0	0	0	113.5	H24 N26 V27 A88 S89 L92 I113 L119	H24-L117 WeakPolarHBondContact CB-O 3.43Å; N26-L117 HydrophobicContact CB-CD2 4.15Å; V27-L117 HydrophobicContact CG2-CB 3.93Å; V27-L117 HydrophobicContact CG2-CD2 4.15Å; V27-L117 HydrophobicContact CG2-CG 4.49Å; V27-L117 WeakPolarHBondContact CG2-O 3.43Å; A88-L117 HydrophobicContact CB-CD1 4.1Å; A88-L117 HydrophobicContact CB-CD2 4.25Å; S89-L117 WeakPolarHBondContact OG-CD1 3.44Å; L92-L117 HydrophobicContact CD2-CD1 4.26Å; L92-L117 HydrophobicContact CD2-CD2 4.09Å; L92-L117 HydrophobicContact CD2-CG 3.8Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 PolarHBondContact O-N 2.95Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 HydrophobicContact CB-CD1 4.45Å; L117-L119 HydrophobicContact CB-CD2 3.81Å; L117-L119 HydrophobicContact CB-CG 3.78Å; L117-L119 HydrophobicContact CD1-CD2 4.46Å; L117-L119 PolarHBondContact O-N 3.06Å
118	K	91.4	Very high	91.3	Very high	133 Å²	133	63 Å²	63	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	49.9	-173.1	-55.5	-168.3	-165.1	157.3	0	112	H24 A114 K115 E116	H24-K118 HydrophobicContact CB-CB 4.29Å; H24-K118 WeakPolarHBondContact NE2-CD 3.36Å; H24-K118 WeakPolarHBondContact NE2-CE 3.44Å; H24-K118 PolarHBondContact NE2-NZ 3.02Å; A114-K118 WeakPolarHBondContact O-CA 3.33Å; A114-K118 PolarHBondContact O-N 3.33Å; K115-K118 WeakPolarHBondContact O-CG 3.36Å; K115-K118 PolarHBondContact O-N 3.45Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.4Å
119	L	88.3	Confident	91.2	Very high	19 Å²	19	63.2 Å²	63.2	10%	0.099	33%	0.329	C	S	.	.			trans	-67.9	135.7	-177.3	-62.6	179.3	0	0	0	110.5	V27 A114 L117 K123	V27-L119 HydrophobicContact CG2-CD2 3.97Å; A114-L119 HydrophobicContact CB-CD1 4.4Å; A114-L119 PolarHBondContact O-N 3.28Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 HydrophobicContact CB-CD1 4.45Å; L117-L119 HydrophobicContact CB-CD2 3.81Å; L117-L119 HydrophobicContact CB-CG 3.78Å; L117-L119 HydrophobicContact CD1-CD2 4.46Å; L117-L119 PolarHBondContact O-N 3.06Å; L119-K123 HydrophobicContact CB-CB 4.43Å
120	P	88.5	Confident	91.2	Very high	71 Å²	71	59 Å²	59	46%	0.461	31%	0.31	S	S	.	.			trans	-65.8	156.9	169.8	29.3	-34.6	0	0	0	110.1	V122 K123	P120-V122 PolarHBondContact O-N 2.83Å; P120-K123 HydrophobicContact CG-CB 4.24Å; P120-K123 HydrophobicContact CG-CG 4.1Å; P120-K123 PolarHBondContact O-N 3.19Å
121	P	87.8	Confident	91.3	Very high	109 Å²	109	57.2 Å²	57.2	71%	0.708	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-52	-32.1	-177.6	-29.3	35.7	0	0	0	114.6	K123 L124	P121-K123 PolarHBondContact O-N 3.11Å; P121-L124 HydrophobicContact CB-CD1 4.43Å; P121-L124 WeakPolarHBondContact O-CG 3.42Å; P121-L124 PolarHBondContact O-N 3.09Å
122	V	87.6	Confident	91.4	Very high	119 Å²	119	57.6 Å²	57.6	72%	0.721	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.7	179.1	-174.4	0	0	0	0	112.9	P120 H125	P120-V122 PolarHBondContact O-N 2.83Å; V122-H125 PolarHBondContact O-CE1 2.85Å; V122-H125 PolarHBondContact O-ND1 3.06Å
123	K	86.4	Confident	91.4	Very high	52 Å²	52	54.1 Å²	54.1	23%	0.226	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-104.8	10.5	-176	-66	-61.3	-170.7	176.9	0	113.9	C83 L119 P120 P121 H125 C126	C83-K123 PolarHBondContact SG-NZ 2.9Å; C83-K123 VanDerWaalsContact SG-NZ 3.42Å; L119-K123 HydrophobicContact CB-CB 4.43Å; P120-K123 HydrophobicContact CG-CB 4.24Å; P120-K123 HydrophobicContact CG-CG 4.1Å; P120-K123 PolarHBondContact O-N 3.19Å; P121-K123 PolarHBondContact O-N 3.11Å; K123-H125 PolarHBondContact O-N 3.42Å; K123-C126 WeakPolarHBondContact O-CB 3.47Å; K123-C126 PolarHBondContact O-N 3.29Å; K123-C126 VanDerWaalsContact O-N 3.09Å
124	L	89.3	Confident	91.5	Very high	72 Å²	72	54.3 Å²	54.3	38%	0.377	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-21.6	176.8	-68.5	174.5	0	0	0	113.5	A114 P121 C126 S127 M128	A114-L124 HydrophobicContact CB-CD2 3.63Å; P121-L124 HydrophobicContact CB-CD1 4.43Å; P121-L124 WeakPolarHBondContact O-CG 3.42Å; P121-L124 PolarHBondContact O-N 3.09Å; L124-C126 PolarHBondContact O-N 3.31Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 PolarHBondContact O-OG 3.37Å; L124-M128 PolarHBondContact O-N 3.22Å
125	H	87.1	Confident	91.7	Very high	80 Å²	80	57.7 Å²	57.7	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-30.9	173.2	66.3	-88.2	0	0	0	112.5	D59 V122 K123 S127 M128 L129	D59-H125 IonicContact OD2-CD2 3.32Å; D59-H125 PolarHBondContact OD2-CD2 3.09Å; D59-H125 IonicContact OD2-NE2 3.18Å; D59-H125 PolarHBondContact OD2-NE2 2.84Å; V122-H125 PolarHBondContact O-CE1 2.85Å; V122-H125 PolarHBondContact O-ND1 3.06Å; K123-H125 PolarHBondContact O-N 3.42Å; H125-S127 VanDerWaalsContact C-N 3.33Å; H125-S127 PolarHBondContact O-N 3.25Å; H125-M128 PolarHBondContact O-N 3.11Å; H125-L129 WeakPolarHBondContact O-CB 3.36Å; H125-L129 PolarHBondContact O-N 3.45Å
126	C	88.7	Confident	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-34.3	179.2	-56.9	0	0	0	0	112.2	C83 A86 K123 L124 A130	C83-C126 VanDerWaalsContact SG-SG 3.7Å; A86-C126 HydrophobicContact CB-CB 4.46Å; K123-C126 WeakPolarHBondContact O-CB 3.47Å; K123-C126 PolarHBondContact O-N 3.29Å; K123-C126 VanDerWaalsContact O-N 3.09Å; L124-C126 PolarHBondContact O-N 3.31Å; C126-A130 PolarHBondContact O-N 2.74Å
127	S	90.8	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-76.7	-35	176.4	48.8	0	0	0	0	112	N110 L124 H125 A130 E131	N110-S127 WeakPolarHBondContact CB-O 3.42Å; N110-S127 WeakPolarHBondContact O-CB 3.4Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 PolarHBondContact O-OG 3.37Å; H125-S127 VanDerWaalsContact C-N 3.33Å; H125-S127 PolarHBondContact O-N 3.25Å; S127-A130 PolarHBondContact O-N 3.15Å; S127-E131 PolarHBondContact O-N 2.97Å; S127-E131 VanDerWaalsContact O-N 3.11Å
128	M	92.9	Very high	92.2	Very high	102 Å²	102	47.1 Å²	47.1	50%	0.502	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-46.7	172.4	-66.9	175.9	67.8	0	0	110.9	N110 L124 H125 A130 E131 D132	N110-M128 HydrophobicContact CB-CG 4.29Å; L124-M128 PolarHBondContact O-N 3.22Å; H125-M128 PolarHBondContact O-N 3.11Å; M128-A130 PolarHBondContact O-N 3.16Å; M128-E131 PolarHBondContact O-N 3.23Å; M128-E131 VanDerWaalsContact O-N 3.15Å; M128-D132 PolarHBondContact O-N 3.19Å
129	L	93.5	Very high	92.4	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-35	177.3	-168.5	68.4	0	0	0	112.4	V52 D59 M61 H125 A133	V52-L129 HydrophobicContact CB-CD1 3.99Å; V52-L129 HydrophobicContact CG2-CD1 3.59Å; V52-L129 HydrophobicContact CG2-CG 3.98Å; V52-L129 WeakPolarHBondContact CG2-O 3.46Å; D59-L129 HydrophobicContact CB-CD2 3.8Å; M61-L129 HydrophobicContact CB-CD2 3.99Å; M61-L129 HydrophobicContact CB-CG 4.12Å; M61-L129 HydrophobicContact CE-CB 4.23Å; M61-L129 HydrophobicContact CE-CD2 4.07Å; M61-L129 HydrophobicContact CE-CG 4.03Å; H125-L129 WeakPolarHBondContact O-CB 3.36Å; H125-L129 PolarHBondContact O-N 3.45Å; L129-A133 WeakPolarHBondContact O-CB 3.39Å; L129-A133 PolarHBondContact O-N 3.25Å
130	A	94.5	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.9	-42.8	176.1	0	0	0	0	0	112.8	M61 A93 I113 C126 S127 M128 A133 I134	M61-A130 HydrophobicContact CE-CB 3.98Å; M61-A130 HydrophobicContact SD-CB 4.19Å; A93-A130 HydrophobicContact CB-CB 4.28Å; I113-A130 HydrophobicContact CD1-CB 3.83Å; C126-A130 PolarHBondContact O-N 2.74Å; S127-A130 PolarHBondContact O-N 3.15Å; M128-A130 PolarHBondContact O-N 3.16Å; A130-A133 PolarHBondContact O-N 2.99Å; A130-I134 WeakPolarHBondContact O-CG1 3.48Å; A130-I134 PolarHBondContact O-N 3.34Å; A130-I134 VanDerWaalsContact O-N 3.13Å
131	E	95.4	Very high	93	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-47.6	172.8	178.7	175	179.3	0	0	110.8	K109 N110 S127 M128 A133 I134 Q135	K109-E131 WeakPolarHBondContact CD-OE1 3.39Å; K109-E131 IonicContact NZ-OE1 2.99Å; K109-E131 PolarHBondContact NZ-OE1 3.09Å; N110-E131 HydrophobicContact CB-CB 4.19Å; N110-E131 WeakPolarHBondContact CB-OE2 3.47Å; N110-E131 PolarHBondContact N-OE2 3.38Å; N110-E131 PolarHBondContact ND2-OE2 3.32Å; S127-E131 PolarHBondContact O-N 2.97Å; S127-E131 VanDerWaalsContact O-N 3.11Å; M128-E131 PolarHBondContact O-N 3.23Å; M128-E131 VanDerWaalsContact O-N 3.15Å; E131-A133 VanDerWaalsContact C-N 3.28Å; E131-A133 PolarHBondContact O-N 3.37Å; E131-I134 PolarHBondContact O-N 3.02Å; E131-Q135 HydrophobicContact CG-CG 4.5Å; E131-Q135 WeakPolarHBondContact O-CG 3.41Å; E131-Q135 PolarHBondContact O-N 3.18Å; E131-Q135 PolarHBondContact OE1-NE2 3.23Å; E131-Q135 VanDerWaalsContact OE1-NE2 3.16Å
132	D	95.6	Very high	93.3	Very high	74 Å²	74	46.5 Å²	46.5	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-39.3	178.4	-69.1	-18.8	0	0	0	111.6	V52 M128 Q135 A136	V52-D132 HydrophobicContact CB-CB 4.45Å; V52-D132 HydrophobicContact CG1-CB 4.17Å; V52-D132 HydrophobicContact CG2-CB 4.44Å; M128-D132 PolarHBondContact O-N 3.19Å; D132-Q135 PolarHBondContact O-N 3.37Å; D132-A136 VanDerWaalsContact O-CB 3.23Å; D132-A136 WeakPolarHBondContact O-CB 3.44Å; D132-A136 PolarHBondContact O-N 3.47Å
133	A	96.1	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.5	0	0	0	0	0	112.2	V52 M61 L63 L129 A130 E131 A137	V52-A133 HydrophobicContact CG2-CB 3.57Å; M61-A133 HydrophobicContact CG-CB 3.94Å; M61-A133 HydrophobicContact SD-CB 3.57Å; M61-A133 VanDerWaalsContact SD-CB 3.57Å; L63-A133 HydrophobicContact CB-CB 3.93Å; L63-A133 HydrophobicContact CD1-CB 4.46Å; L129-A133 WeakPolarHBondContact O-CB 3.39Å; L129-A133 PolarHBondContact O-N 3.25Å; A130-A133 PolarHBondContact O-N 2.99Å; E131-A133 VanDerWaalsContact C-N 3.28Å; E131-A133 PolarHBondContact O-N 3.37Å; A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.1Å
134	I	96.1	Very high	93.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-49.4	176	-65.4	167	0	0	0	109.7	L63 A93 V97 I108 A130 E131 A136 A137 I138	L63-I134 HydrophobicContact CD1-CG1 4.01Å; A93-I134 HydrophobicContact CB-CD1 4Å; A93-I134 HydrophobicContact CB-CG1 4.43Å; V97-I134 HydrophobicContact CG1-CD1 3.9Å; V97-I134 HydrophobicContact CG1-CG1 3.99Å; V97-I134 HydrophobicContact CG1-CG2 4.08Å; I108-I134 HydrophobicContact CB-CD1 4.35Å; I108-I134 HydrophobicContact CD1-CD1 4.3Å; I108-I134 HydrophobicContact CG2-CD1 4.11Å; A130-I134 WeakPolarHBondContact O-CG1 3.48Å; A130-I134 PolarHBondContact O-N 3.34Å; A130-I134 VanDerWaalsContact O-N 3.13Å; E131-I134 PolarHBondContact O-N 3.02Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.29Å; I134-A137 PolarHBondContact O-N 3.42Å; I134-I138 HydrophobicContact CG2-CD1 3.75Å; I134-I138 HydrophobicContact CG2-CG1 4.46Å; I134-I138 WeakPolarHBondContact O-CG1 3.36Å; I134-I138 PolarHBondContact O-N 3.07Å
135	Q	96.2	Very high	93.4	Very high	81 Å²	81	48 Å²	48	38%	0.379	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-41.5	180	-69.2	-178.1	8.5	0	0	111.9	E131 D132 I138 K139	E131-Q135 HydrophobicContact CG-CG 4.5Å; E131-Q135 WeakPolarHBondContact O-CG 3.41Å; E131-Q135 PolarHBondContact O-N 3.18Å; E131-Q135 PolarHBondContact OE1-NE2 3.23Å; E131-Q135 VanDerWaalsContact OE1-NE2 3.16Å; D132-Q135 PolarHBondContact O-N 3.37Å; Q135-I138 PolarHBondContact O-N 3.39Å; Q135-K139 VanDerWaalsContact O-CB 3.31Å; Q135-K139 WeakPolarHBondContact O-CB 3.5Å; Q135-K139 PolarHBondContact O-N 2.99Å
136	A	96.5	Very high	92.7	Very high	28 Å²	28	52.4 Å²	52.4	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.7	175.7	0	0	0	0	0	111.9	V52 D132 I134 K139 D140	V52-A136 HydrophobicContact CG1-CB 3.87Å; D132-A136 VanDerWaalsContact O-CB 3.23Å; D132-A136 WeakPolarHBondContact O-CB 3.44Å; D132-A136 PolarHBondContact O-N 3.47Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.29Å; A136-K139 PolarHBondContact O-N 2.72Å; A136-D140 PolarHBondContact O-N 2.77Å
137	A	96.6	Very high	92.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.1	0	0	0	0	0	112.2	G48 L63 I65 A133 I134 D140 Y141	G48-A137 WeakPolarHBondContact CA-O 3.48Å; L63-A137 HydrophobicContact CD2-CB 3.9Å; I65-A137 HydrophobicContact CD1-CB 4.24Å; I65-A137 HydrophobicContact CG1-CB 4.17Å; A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.1Å; I134-A137 PolarHBondContact O-N 3.42Å; A137-D140 PolarHBondContact O-N 2.96Å; A137-Y141 PolarHBondContact O-N 2.97Å
138	I	95.8	Very high	93	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-42.6	174.9	-69.6	169.5	0	0	0	111.1	I65 I102 A105 A106 I134 Q135 Y141 K142	I65-I138 HydrophobicContact CD1-CG1 3.85Å; I102-I138 HydrophobicContact CG2-CG1 4.37Å; I102-I138 HydrophobicContact CG2-CG2 3.51Å; A105-I138 HydrophobicContact CB-CD1 3.9Å; A106-I138 HydrophobicContact CB-CD1 3.96Å; I134-I138 HydrophobicContact CG2-CD1 3.75Å; I134-I138 HydrophobicContact CG2-CG1 4.46Å; I134-I138 WeakPolarHBondContact O-CG1 3.36Å; I134-I138 PolarHBondContact O-N 3.07Å; Q135-I138 PolarHBondContact O-N 3.39Å; I138-Y141 PolarHBondContact O-N 3Å; I138-K142 HydrophobicContact CG2-CD 4.2Å; I138-K142 HydrophobicContact CG2-CG 4.43Å; I138-K142 WeakPolarHBondContact O-CG 3.32Å; I138-K142 PolarHBondContact O-N 3.21Å
139	K	95.6	Very high	93.1	Very high	133 Å²	133	55.4 Å²	55.4	58%	0.578	28%	0.284	S	S	*	.	H	α-helix	trans	-63.3	-41.7	178.1	-175.1	177.1	-176.8	176.1	0	111.6	Q135 A136 K143	Q135-K139 VanDerWaalsContact O-CB 3.31Å; Q135-K139 WeakPolarHBondContact O-CB 3.5Å; Q135-K139 PolarHBondContact O-N 2.99Å; A136-K139 PolarHBondContact O-N 2.72Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 3.48Å; K139-K143 VanDerWaalsContact O-N 3.09Å
140	D	95.8	Very high	93	Very high	46 Å²	46	57.6 Å²	57.6	25%	0.246	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-44.2	175.1	-174	65.1	0	0	0	111.5	T49 A136 A137 K143 K144	T49-D140 PolarHBondContact N-OD2 3.19Å; T49-D140 WeakPolarHBondContact O-CB 3.23Å; A136-D140 PolarHBondContact O-N 2.77Å; A137-D140 PolarHBondContact O-N 2.96Å; D140-K143 WeakPolarHBondContact O-CB 3.22Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 3.41Å; D140-K144 VanDerWaalsContact O-N 3.16Å; D140-K144 WeakPolarHBondContact OD2-CE 3.38Å; D140-K144 IonicContact OD2-NZ 3.67Å
141	Y	95.1	Very high	92.9	Very high	38 Å²	38	61.2 Å²	61.2	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-52.8	174.3	173.6	-107.1	0	0	0	111.9	V67 I102 A137 I138 K143 K144 S145	V67-Y141 HydrophobicContact CB-CD2 4.2Å; V67-Y141 HydrophobicContact CB-CE1 4.22Å; V67-Y141 HydrophobicContact CB-CE2 3.59Å; V67-Y141 HydrophobicContact CG1-CE1 4.06Å; V67-Y141 HydrophobicContact CG1-CE2 4.23Å; V67-Y141 HydrophobicContact CG2-CD1 4.05Å; V67-Y141 HydrophobicContact CG2-CD2 3.66Å; V67-Y141 HydrophobicContact CG2-CE1 3.98Å; V67-Y141 HydrophobicContact CG2-CE2 3.58Å; V67-Y141 HydrophobicContact CG2-CG 3.9Å; I102-Y141 HydrophobicContact CD1-CD1 3.92Å; I102-Y141 HydrophobicContact CD1-CE1 4.15Å; I102-Y141 HydrophobicContact CG1-CD1 4.17Å; I102-Y141 HydrophobicContact CG1-CE1 4.01Å; A137-Y141 PolarHBondContact O-N 2.97Å; I138-Y141 PolarHBondContact O-N 3Å; Y141-K143 PolarHBondContact O-N 3.17Å; Y141-K144 PolarHBondContact O-N 3.36Å; Y141-S145 WeakPolarHBondContact CE2-OG 3.41Å; Y141-S145 PolarHBondContact O-N 2.99Å; Y141-S145 PolarHBondContact O-OG 3.49Å; Y141-S145 VanDerWaalsContact O-OG 3.13Å
142	K	93.2	Very high	92.8	Very high	102 Å²	102	64.1 Å²	64.1	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-35.6	179.5	-72.6	-175.4	178.2	-171	0	112.6	I138 K144 S145 T146	I138-K142 HydrophobicContact CG2-CD 4.2Å; I138-K142 HydrophobicContact CG2-CG 4.43Å; I138-K142 WeakPolarHBondContact O-CG 3.32Å; I138-K142 PolarHBondContact O-N 3.21Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-S145 PolarHBondContact O-N 2.88Å; K142-T146 PolarHBondContact O-N 3.17Å; K142-T146 PolarHBondContact O-OG1 3.29Å
143	K	93.9	Very high	92.6	Very high	138 Å²	138	63.4 Å²	63.4	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-67.9	-31	175.7	-77.9	175.9	175.1	-169.4	0	113.6	K139 D140 Y141	K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 3.48Å; K139-K143 VanDerWaalsContact O-N 3.09Å; D140-K143 WeakPolarHBondContact O-CB 3.22Å; D140-K143 PolarHBondContact O-N 2.87Å; Y141-K143 PolarHBondContact O-N 3.17Å
144	K	90.5	Very high	92.3	Very high	66 Å²	66	68.3 Å²	68.3	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-82.8	-26.7	177.5	-69.7	174.7	172.3	-168.6	0	112.7	K42 D44 V47 D140 Y141 K142 T146	K42-K144 PolarHBondContact O-NZ 2.91Å; D44-K144 PolarHBondContact O-NZ 3.44Å; V47-K144 WeakPolarHBondContact O-CD 3.34Å; V47-K144 PolarHBondContact O-NZ 3.14Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 3.41Å; D140-K144 VanDerWaalsContact O-N 3.16Å; D140-K144 WeakPolarHBondContact OD2-CE 3.38Å; D140-K144 IonicContact OD2-NZ 3.67Å; Y141-K144 PolarHBondContact O-N 3.36Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K144-T146 VanDerWaalsContact C-N 3.34Å
145	S	81.9	Confident	92	Very high	69 Å²	69	73.7 Å²	73.7	48%	0.483	38%	0.376	S	S	.	.			trans	-85.4	-4.8	178	-52.2	0	0	0	0	114	Y141 K142	Y141-S145 WeakPolarHBondContact CE2-OG 3.41Å; Y141-S145 PolarHBondContact O-N 2.99Å; Y141-S145 PolarHBondContact O-OG 3.49Å; Y141-S145 VanDerWaalsContact O-OG 3.13Å; K142-S145 PolarHBondContact O-N 2.88Å
146	T	72.4	Confident	91.6	Very high	173 Å²	173	73 Å²	73	100%	1.061	38%	0.375	S	S	*	.			trans	-100.9	0	174.2	-52.6	0	0	0	0	109	K142 K144	K142-T146 PolarHBondContact O-N 3.17Å; K142-T146 PolarHBondContact O-OG1 3.29Å; K144-T146 VanDerWaalsContact C-N 3.34Å

Retrieved 146 of 146 residues in 107 ms (Link to these results)

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