C4QDY4_SCHMA Loading...

COX assembly mitochondrial protein

AlphaFold DB , UniProt , Accession C4QDY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 aa.

						>C4QDY4_SCHMA|C4QDY4
MGTLFSKRQSAEFALIPSEEVSGPLGLGDPESNEITKVEEESFIPALMHDRLRTKQCAELWDEWSNCTKTYYWAAIYICKTDFHKALECNKKYLQDPEFLEETKALYLKMRSNYRRTGLEQRVVRTDK
					

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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	46.2	Very low	49.6	Very low	247 Å²	247	158.8 Å²	158.8	100%	1.217	86%	0.858	S	S	*	*				0	133.2	0	-76.7	-167.7	-101.2	0	0	108
2	G	42.9	Very low	50.2	Low	76 Å²	76	161 Å²	161	78%	0.784	86%	0.859	S	S	*	*			trans	-67	143	-148.2	0	0	0	0	0	117.5	L4	G2-L4 PolarHBondContact O-N 2.82Å
3	T	51.5	Low	50.9	Low	120 Å²	120	162.8 Å²	162.8	74%	0.736	86%	0.855	S	S	*	*			trans	-64.3	112.7	168	40.5	0	0	0	0	110.9	F5	T3-F5 PolarHBondContact O-N 3.06Å; T3-F5 VanDerWaalsContact O-N 3.09Å
4	L	54	Low	51.5	Low	176 Å²	176	155.7 Å²	155.7	92%	0.921	83%	0.832	S	S	*	*			trans	-73.9	87.6	168.4	-82.8	157.7	0	0	0	109.8	G2 S6	G2-L4 PolarHBondContact O-N 2.82Å; L4-S6 PolarHBondContact O-N 3.43Å
5	F	53.3	Low	52.9	Low	188 Å²	188	156.3 Å²	156.3	83%	0.825	83%	0.833	S	S	*	*			trans	-77.8	91.3	163.2	-88.1	-86.6	0	0	0	108.8	T3 K7	T3-F5 PolarHBondContact O-N 3.06Å; T3-F5 VanDerWaalsContact O-N 3.09Å; F5-K7 PolarHBondContact O-N 3.11Å
6	S	53.1	Low	54.1	Low	112 Å²	112	151.6 Å²	151.6	78%	0.783	81%	0.807	S	S	*	*			trans	-67.1	114.7	169.1	-174.9	0	0	0	0	109.2	L4 R8	L4-S6 PolarHBondContact O-N 3.43Å; S6-R8 PolarHBondContact O-N 3.01Å; S6-R8 VanDerWaalsContact O-N 3.08Å
7	K	50.3	Low	55.3	Low	198 Å²	198	147.5 Å²	147.5	86%	0.861	79%	0.791	S	S	*	*			trans	-58.4	109.4	174.1	-84.1	177.8	172.5	179.7	0	109.2	F5 Q9	F5-K7 PolarHBondContact O-N 3.11Å; K7-Q9 PolarHBondContact O-N 2.88Å; K7-Q9 VanDerWaalsContact O-N 3.1Å
8	R	47.8	Very low	56.4	Low	239 Å²	239	144.6 Å²	144.6	90%	0.902	78%	0.784	S	S	*	*			trans	-63.5	104.9	159.8	-94.6	-179.4	171.8	175.6	-2.9	107.9	S6 S10	S6-R8 PolarHBondContact O-N 3.01Å; S6-R8 VanDerWaalsContact O-N 3.08Å; R8-S10 PolarHBondContact O-N 2.98Å
9	Q	47.2	Very low	57.2	Low	188 Å²	188	142.1 Å²	142.1	88%	0.879	77%	0.767	S	S	*	*			trans	-72.4	104.2	157.6	-82.5	173.2	-15	0	0	106.7	K7 A11	K7-Q9 PolarHBondContact O-N 2.88Å; K7-Q9 VanDerWaalsContact O-N 3.1Å; Q9-A11 PolarHBondContact O-N 3.17Å; Q9-A11 VanDerWaalsContact O-N 3.08Å
10	S	46.5	Very low	58	Low	113 Å²	113	140.2 Å²	140.2	79%	0.79	75%	0.753	S	S	*	*			trans	-65.9	104.4	164.3	-63.5	0	0	0	0	106.9	R8 E12	R8-S10 PolarHBondContact O-N 2.98Å; S10-E12 PolarHBondContact O-N 3.22Å; S10-E12 VanDerWaalsContact O-N 3.09Å
11	A	52.7	Low	58.9	Low	90 Å²	90	137.5 Å²	137.5	74%	0.744	74%	0.741	S	S	*	*			trans	-68	102.4	163.6	0	0	0	0	0	106.6	Q9 F13	Q9-A11 PolarHBondContact O-N 3.17Å; Q9-A11 VanDerWaalsContact O-N 3.08Å; A11-F13 PolarHBondContact O-N 2.78Å
12	E	57.1	Low	60.5	Low	185 Å²	185	128.5 Å²	128.5	86%	0.864	70%	0.702	S	S	*	*			trans	-67.5	103.6	170.6	-163.9	157.5	140.3	0	0	107	S10 A14	S10-E12 PolarHBondContact O-N 3.22Å; S10-E12 VanDerWaalsContact O-N 3.09Å; E12-A14 PolarHBondContact O-N 3.47Å
13	F	59.3	Low	62.4	Low	184 Å²	184	126.4 Å²	126.4	81%	0.807	68%	0.681	S	S	*	*			trans	-75.4	74.1	179.8	-141.8	-86.6	0	0	0	108.1	A11 L15	A11-F13 PolarHBondContact O-N 2.78Å; F13-L15 HydrophobicContact CD1-CD2 4.48Å; F13-L15 PolarHBondContact O-N 3.47Å
14	A	59.6	Low	64.1	Low	64 Å²	64	125.1 Å²	125.1	53%	0.529	67%	0.674	S	S	.	*			trans	-70.7	116.6	169.1	0	0	0	0	0	107.6	E12 I16	E12-A14 PolarHBondContact O-N 3.47Å; A14-I16 WeakPolarHBondContact CB-O 3.49Å; A14-I16 PolarHBondContact O-N 2.91Å; A14-I16 VanDerWaalsContact O-N 3.16Å
15	L	72.4	Confident	65.7	Low	164 Å²	164	121.1 Å²	121.1	86%	0.859	65%	0.653	S	S	*	*	S	Bend	trans	-65.1	-10.1	174.1	-70.7	169.5	0	0	0	112.6	F13	F13-L15 HydrophobicContact CD1-CD2 4.48Å; F13-L15 PolarHBondContact O-N 3.47Å
16	I	72	Confident	67.4	Low	81 Å²	81	114 Å²	114	42%	0.415	63%	0.633	S	S	.	*	S	Bend	trans	-126.8	138.5	-173.5	-56.1	178.1	0	0	0	107.3	A14 S18 E20 V21	A14-I16 WeakPolarHBondContact CB-O 3.49Å; A14-I16 PolarHBondContact O-N 2.91Å; A14-I16 VanDerWaalsContact O-N 3.16Å; I16-S18 PolarHBondContact O-N 3.27Å; I16-E20 HydrophobicContact CG2-CB 3.73Å; I16-E20 HydrophobicContact CG2-CG 4.35Å; I16-E20 WeakPolarHBondContact CG2-OE2 3.41Å; I16-V21 HydrophobicContact CB-CG2 3.94Å; I16-V21 HydrophobicContact CD1-CG2 4.47Å; I16-V21 HydrophobicContact CG2-CG2 3.77Å
17	P	74.8	Confident	69.1	Low	82 Å²	82	111.9 Å²	111.9	53%	0.532	61%	0.613	S	S	.	*			trans	-50.5	137.9	176.2	-25.1	33.8	0	0	0	111.7	E19 E20	P17-E19 PolarHBondContact O-N 3.07Å; P17-E20 HydrophobicContact CB-CG 4.45Å; P17-E20 PolarHBondContact O-N 2.89Å
18	S	74.1	Confident	70.9	Confident	95 Å²	95	102.4 Å²	102.4	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-55.5	-30.2	-176	53.7	0	0	0	0	113.1	I16 E20 V21 S22	I16-S18 PolarHBondContact O-N 3.27Å; S18-E20 VanDerWaalsContact C-N 3.31Å; S18-E20 PolarHBondContact O-N 2.03Å; S18-V21 PolarHBondContact O-N 3.46Å; S18-S22 VanDerWaalsContact O-CB 3.24Å; S18-S22 WeakPolarHBondContact O-CB 3.1Å; S18-S22 PolarHBondContact O-N 3.42Å
19	E	73	Confident	72.9	Confident	98 Å²	98	93.6 Å²	93.6	46%	0.458	54%	0.543	S	S	.	.	H	α-helix	trans	-67.6	-28.2	-179.6	-62.5	-178.8	-171.5	0	0	113.4	P17 G28 D29	P17-E19 PolarHBondContact O-N 3.07Å; E19-G28 CarbonylContact O-C 3.51Å; E19-G28 WeakPolarHBondContact O-CA 3.49Å; E19-D29 PolarHBondContact O-N 3.4Å
20	E	72.3	Confident	75	Confident	103 Å²	103	85.3 Å²	85.3	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-80.4	-23	177.9	-61.7	-170.2	166.7	0	0	112.5	I16 P17 S18 G28	I16-E20 HydrophobicContact CG2-CB 3.73Å; I16-E20 HydrophobicContact CG2-CG 4.35Å; I16-E20 WeakPolarHBondContact CG2-OE2 3.41Å; P17-E20 HydrophobicContact CB-CG 4.45Å; P17-E20 PolarHBondContact O-N 2.89Å; S18-E20 VanDerWaalsContact C-N 3.31Å; S18-E20 PolarHBondContact O-N 2.03Å; E20-G28 VanDerWaalsContact O-CA 3.24Å; E20-G28 WeakPolarHBondContact O-CA 3.5Å; E20-G28 PolarHBondContact O-N 3.46Å; E20-G28 VanDerWaalsContact O-N 3.11Å
21	V	77	Confident	77.1	Confident	85 Å²	85	85.6 Å²	85.6	52%	0.515	49%	0.494	S	S	.	.	H	α-helix	trans	-106.9	-0.2	-179.8	-166.7	0	0	0	0	112	I16 S18	I16-V21 HydrophobicContact CB-CG2 3.94Å; I16-V21 HydrophobicContact CD1-CG2 4.47Å; I16-V21 HydrophobicContact CG2-CG2 3.77Å; S18-V21 PolarHBondContact O-N 3.46Å
22	S	79.4	Confident	78.9	Confident	57 Å²	57	82.3 Å²	82.3	40%	0.399	47%	0.466	S	S	.	.			trans	-74.7	-179.7	177.2	-168.8	0	0	0	0	112.4	S18 G26 L27 G28	S18-S22 VanDerWaalsContact O-CB 3.24Å; S18-S22 WeakPolarHBondContact O-CB 3.1Å; S18-S22 PolarHBondContact O-N 3.42Å; S22-G26 CarbonylContact O-C 3.58Å; S22-G26 WeakPolarHBondContact O-CA 3.34Å; S22-L27 PolarHBondContact O-N 3.42Å; S22-G28 CarbonylContact O-C 3.2Å; S22-G28 WeakPolarHBondContact O-CA 3.44Å; S22-G28 PolarHBondContact O-N 3.14Å
23	G	83.5	Confident	80.5	Confident	32 Å²	32	79.5 Å²	79.5	33%	0.33	46%	0.456	S	S	.	.	S	Bend	trans	94.1	171	173.1	0	0	0	0	0	114.7	L25 G26	G23-L25 PolarHBondContact O-N 3.06Å; G23-L25 VanDerWaalsContact O-N 3.17Å; G23-G26 PolarHBondContact O-N 2.95Å
24	P	86.5	Confident	82	Confident	93 Å²	93	77 Å²	77	60%	0.604	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.3	-172.5	26.1	-34.6	0	0	0	113.6
25	L	89	Confident	83.6	Confident	92 Å²	92	76.6 Å²	76.6	48%	0.482	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	4.3	-178	-61	176.9	0	0	0	113.3	G23 L27 G118	G23-L25 PolarHBondContact O-N 3.06Å; G23-L25 VanDerWaalsContact O-N 3.17Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 HydrophobicContact CB-CD1 4.04Å; L25-L27 HydrophobicContact CB-CG 4.03Å; L25-L27 HydrophobicContact CD1-CD1 4.28Å; L25-L27 PolarHBondContact O-N 3.38Å; L25-G118 VanDerWaalsContact CD1-N 3.26Å
26	G	87.7	Confident	84.5	Confident	39 Å²	39	71.6 Å²	71.6	40%	0.402	41%	0.412	S	S	.	.	S	Bend	trans	66.3	25.6	-174.5	0	0	0	0	0	114.4	S22 G23	S22-G26 CarbonylContact O-C 3.58Å; S22-G26 WeakPolarHBondContact O-CA 3.34Å; G23-G26 PolarHBondContact O-N 2.95Å
27	L	88.6	Confident	85.6	Confident	67 Å²	67	74.4 Å²	74.4	35%	0.351	42%	0.421	S	S	.	.	S	Bend	trans	-100.2	13.8	179.6	-61.9	176.7	0	0	0	112.8	S22 L25 Y114 R115	S22-L27 PolarHBondContact O-N 3.42Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 HydrophobicContact CB-CD1 4.04Å; L25-L27 HydrophobicContact CB-CG 4.03Å; L25-L27 HydrophobicContact CD1-CD1 4.28Å; L25-L27 PolarHBondContact O-N 3.38Å; L27-Y114 HydrophobicContact CD1-CD1 4.38Å; L27-Y114 HydrophobicContact CD1-CE1 3.92Å; L27-R115 HydrophobicContact CB-CG 4.31Å; L27-R115 WeakPolarHBondContact O-CG 3.12Å; L27-R115 PolarHBondContact O-NE 3.01Å
28	G	88.4	Confident	86.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	42%	0.421	C	S	.	.			trans	95.9	167.2	-174.3	0	0	0	0	0	113.2	E19 E20 S22 P30 R115	E19-G28 CarbonylContact O-C 3.51Å; E19-G28 WeakPolarHBondContact O-CA 3.49Å; E20-G28 VanDerWaalsContact O-CA 3.24Å; E20-G28 WeakPolarHBondContact O-CA 3.5Å; E20-G28 PolarHBondContact O-N 3.46Å; E20-G28 VanDerWaalsContact O-N 3.11Å; S22-G28 CarbonylContact O-C 3.2Å; S22-G28 WeakPolarHBondContact O-CA 3.44Å; S22-G28 PolarHBondContact O-N 3.14Å; G28-P30 VanDerWaalsContact O-CD 3.3Å; G28-P30 WeakPolarHBondContact O-CD 3.49Å; G28-R115 WeakPolarHBondContact O-CD 3.37Å
29	D	90.4	Very high	87.4	Confident	54 Å²	54	71 Å²	71	29%	0.289	39%	0.393	S	S	.	.			trans	-65.4	119.4	-179	-174.4	-1.6	0	0	0	111.6	E19 E31 S32 R115	E19-D29 PolarHBondContact O-N 3.4Å; D29-E31 PolarHBondContact O-N 3.23Å; D29-E31 PolarHBondContact OD1-N 3.2Å; D29-S32 PolarHBondContact O-N 3.39Å; D29-R115 VanDerWaalsContact O-CD 3.32Å; D29-R115 WeakPolarHBondContact O-CD 3.35Å; D29-R115 PolarHBondContact O-NH1 3.18Å
30	P	90.9	Very high	88.4	Confident	13 Å²	13	71.5 Å²	71.5	8%	0.084	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24	175.4	-20.8	31.9	0	0	0	115.3	G28 S112 R115 R116	G28-P30 VanDerWaalsContact O-CD 3.3Å; G28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-S112 WeakPolarHBondContact O-CB 3.4Å; P30-R115 HydrophobicContact CB-CB 4.09Å; P30-R115 HydrophobicContact CG-CB 3.89Å; P30-R116 HydrophobicContact CB-CG 3.67Å; P30-R116 HydrophobicContact CG-CG 3.81Å
31	E	90.6	Very high	89.5	Confident	119 Å²	119	72.7 Å²	72.7	56%	0.556	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.1	-177.6	-51.6	-54	147.5	0	0	113.2	D29 N33 R116	D29-E31 PolarHBondContact O-N 3.23Å; D29-E31 PolarHBondContact OD1-N 3.2Å; E31-N33 PolarHBondContact O-N 3.17Å; E31-R116 VanDerWaalsContact CD-NH2 3.26Å; E31-R116 IonicContact OE1-CZ 3.05Å; E31-R116 IonicContact OE1-NE 3.85Å; E31-R116 IonicContact OE1-NH2 2.86Å; E31-R116 PolarHBondContact OE1-NH2 3.03Å; E31-R116 IonicContact OE2-NH2 3.82Å; E31-R116 PolarHBondContact OE2-NH2 3.32Å
32	S	90.4	Very high	90.4	Very high	22 Å²	22	71.3 Å²	71.3	15%	0.154	40%	0.396	C	S	.	.			trans	-66.5	129.3	177.9	172	0	0	0	0	110.9	D29 E34 R111	D29-S32 PolarHBondContact O-N 3.39Å; S32-E34 PolarHBondContact OG-N 2.8Å; S32-R111 PolarHBondContact O-NH2 3.25Å
33	N	90.7	Very high	91.1	Very high	125 Å²	125	73.9 Å²	73.9	67%	0.668	40%	0.4	S	S	*	.			trans	-97.8	1.2	175.3	-67.4	-48.1	0	0	0	112.8	E31	E31-N33 PolarHBondContact O-N 3.17Å
34	E	91.4	Very high	91.7	Very high	131 Å²	131	72.4 Å²	72.4	61%	0.612	38%	0.384	S	S	*	.			trans	-71.8	134.1	-179.9	-57.9	-166.2	166.5	0	0	110.1	S32 R111	S32-E34 PolarHBondContact OG-N 2.8Å; E34-R111 VanDerWaalsContact O-CZ 3.24Å; E34-R111 PolarHBondContact O-NH1 2.74Å; E34-R111 PolarHBondContact O-NH2 2.76Å
35	I	92.4	Very high	92.1	Very high	56 Å²	56	70 Å²	70	29%	0.287	37%	0.369	S	S	.	.			trans	-107.2	119.5	177.5	-62.1	172.9	0	0	0	106.8	E39 E40 I44 K104 L108	I35-E39 HydrophobicContact CG2-CB 3.82Å; I35-E40 HydrophobicContact CG2-CB 4.05Å; I35-I44 HydrophobicContact CD1-CD1 4.22Å; I35-I44 HydrophobicContact CG2-CD1 3.87Å; I35-K104 HydrophobicContact CD1-CB 4.42Å; I35-K104 HydrophobicContact CD1-CD 4.42Å; I35-K104 HydrophobicContact CD1-CG 4.38Å; I35-L108 HydrophobicContact CD1-CD2 4.45Å; I35-L108 HydrophobicContact CG1-CD2 3.97Å
36	T	92.2	Very high	92.4	Very high	59 Å²	59	68 Å²	68	36%	0.362	37%	0.365	S	S	.	.			trans	-72.3	157	175.5	66.2	0	0	0	0	110.2	V38 E39 E40	T36-V38 PolarHBondContact O-N 2.68Å; T36-E39 PolarHBondContact N-OE2 2.88Å; T36-E39 WeakPolarHBondContact O-CB 3.22Å; T36-E39 PolarHBondContact O-N 3.19Å; T36-E39 VanDerWaalsContact OG1-CD 3.3Å; T36-E39 WeakPolarHBondContact OG1-CG 3.31Å; T36-E39 PolarHBondContact OG1-N 3.33Å; T36-E39 PolarHBondContact OG1-OE2 3.5Å; T36-E40 PolarHBondContact O-N 3.33Å
37	K	93.6	Very high	92.7	Very high	140 Å²	140	66.7 Å²	66.7	61%	0.609	35%	0.349	S	S	*	.	H	α-helix	trans	-55.2	-37.1	177.1	-174.3	175.7	179.3	-180	0	112.8	E40 E41	K37-E40 PolarHBondContact O-N 2.86Å; K37-E41 WeakPolarHBondContact CE-OE1 2.99Å; K37-E41 WeakPolarHBondContact CE-OE2 3.43Å; K37-E41 HydrophobicContact CG-CG 4.23Å; K37-E41 IonicContact NZ-OE1 3.71Å; K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 WeakPolarHBondContact O-CG 3.03Å; K37-E41 PolarHBondContact O-N 3.16Å
38	V	93.7	Very high	93	Very high	89 Å²	89	63.9 Å²	63.9	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-41.5	178.1	-179	0	0	0	0	110.7	T36 S42 F43	T36-V38 PolarHBondContact O-N 2.68Å; V38-S42 WeakPolarHBondContact O-CB 3.15Å; V38-S42 PolarHBondContact O-N 3.08Å; V38-S42 PolarHBondContact O-OG 3.46Å; V38-F43 HydrophobicContact CG1-CD2 4.25Å; V38-F43 HydrophobicContact CG1-CE2 3.93Å
39	E	94.1	Very high	93.3	Very high	16 Å²	16	68 Å²	68	8%	0.075	35%	0.353	C	S	.	.	I	π-helix	trans	-65.3	-41.9	177.3	-65	169.5	136.2	0	0	111.9	I35 T36 F43 I44 Y107 R111	I35-E39 HydrophobicContact CG2-CB 3.82Å; T36-E39 PolarHBondContact N-OE2 2.88Å; T36-E39 WeakPolarHBondContact O-CB 3.22Å; T36-E39 PolarHBondContact O-N 3.19Å; T36-E39 VanDerWaalsContact OG1-CD 3.3Å; T36-E39 WeakPolarHBondContact OG1-CG 3.31Å; T36-E39 PolarHBondContact OG1-N 3.33Å; T36-E39 PolarHBondContact OG1-OE2 3.5Å; E39-F43 HydrophobicContact CG-CD2 4.2Å; E39-F43 PolarHBondContact O-N 3.05Å; E39-I44 WeakPolarHBondContact O-CG1 3.49Å; E39-I44 PolarHBondContact O-N 2.99Å; E39-Y107 HydrophobicContact CB-CE1 3.9Å; E39-Y107 VanDerWaalsContact CD-OH 3.31Å; E39-Y107 HydrophobicContact CG-CE1 3.97Å; E39-Y107 WeakPolarHBondContact CG-OH 3.47Å; E39-Y107 PolarHBondContact OE1-OH 3.19Å; E39-R111 WeakPolarHBondContact OE1-CD 3.48Å; E39-R111 IonicContact OE1-CZ 2.62Å; E39-R111 IonicContact OE1-NE 3.47Å; E39-R111 IonicContact OE1-NH1 3.86Å; E39-R111 PolarHBondContact OE1-NH1 3.37Å; E39-R111 IonicContact OE2-NH1 3.58Å; E39-R111 PolarHBondContact OE2-NH1 2.78Å
40	E	94.3	Very high	93.5	Very high	109 Å²	109	69.6 Å²	69.6	51%	0.509	36%	0.362	S	S	.	.	I	π-helix	trans	-64.8	-44.4	176.3	-172.4	173.1	-162.5	0	0	112.7	I35 T36 K37 P45	I35-E40 HydrophobicContact CG2-CB 4.05Å; T36-E40 PolarHBondContact O-N 3.33Å; K37-E40 PolarHBondContact O-N 2.86Å; E40-P45 WeakPolarHBondContact O-CD 3.44Å
41	E	94.6	Very high	93.7	Very high	129 Å²	129	69.9 Å²	69.9	60%	0.603	36%	0.361	S	S	*	.	I	π-helix	trans	-86.5	-21.2	-173.4	-68.3	-179.2	164.1	0	0	114.1	K37	K37-E41 WeakPolarHBondContact CE-OE1 2.99Å; K37-E41 WeakPolarHBondContact CE-OE2 3.43Å; K37-E41 HydrophobicContact CG-CG 4.23Å; K37-E41 IonicContact NZ-OE1 3.71Å; K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 WeakPolarHBondContact O-CG 3.03Å; K37-E41 PolarHBondContact O-N 3.16Å
42	S	95.4	Very high	93.9	Very high	56 Å²	56	64.2 Å²	64.2	39%	0.392	34%	0.335	S	S	.	.	I	π-helix	trans	-125.4	-55.1	-174.1	70	0	0	0	0	114.2	V38 A46	V38-S42 WeakPolarHBondContact O-CB 3.15Å; V38-S42 PolarHBondContact O-N 3.08Å; V38-S42 PolarHBondContact O-OG 3.46Å; S42-A46 VanDerWaalsContact O-CB 3.24Å; S42-A46 WeakPolarHBondContact O-CB 3.45Å; S42-A46 PolarHBondContact O-N 3.33Å
43	F	94.5	Very high	94	Very high	110 Å²	110	70.6 Å²	70.6	48%	0.482	36%	0.355	S	S	.	.	I	π-helix	trans	-71.1	-44.6	-172.6	-72.6	-88.9	0	0	0	112.4	V38 E39 A46 L47 Y107	V38-F43 HydrophobicContact CG1-CD2 4.25Å; V38-F43 HydrophobicContact CG1-CE2 3.93Å; E39-F43 HydrophobicContact CG-CD2 4.2Å; E39-F43 PolarHBondContact O-N 3.05Å; F43-A46 PolarHBondContact O-N 2.89Å; F43-L47 WeakPolarHBondContact O-CB 3.17Å; F43-L47 PolarHBondContact O-N 3.04Å; F43-Y107 HydrophobicContact CB-CD2 4.35Å; F43-Y107 HydrophobicContact CB-CE2 3.67Å; F43-Y107 HydrophobicContact CD1-CE2 4.42Å; F43-Y107 HydrophobicContact CG-CE2 4.26Å
44	I	95.4	Very high	94.1	Very high	2 Å²	2	66 Å²	66	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-49.3	178.9	-71.6	158.4	0	0	0	110.9	I35 E39 A46 L47 M48 L100 K104 Y107	I35-I44 HydrophobicContact CD1-CD1 4.22Å; I35-I44 HydrophobicContact CG2-CD1 3.87Å; E39-I44 WeakPolarHBondContact O-CG1 3.49Å; E39-I44 PolarHBondContact O-N 2.99Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 3.27Å; I44-L47 PolarHBondContact O-N 2.8Å; I44-M48 HydrophobicContact CG2-CG 4.45Å; I44-M48 HydrophobicContact CG2-SD 4.25Å; I44-M48 VanDerWaalsContact O-CG 3.3Å; I44-M48 WeakPolarHBondContact O-CG 3.43Å; I44-M48 PolarHBondContact O-N 3.3Å; I44-L100 HydrophobicContact CG2-CD1 3.84Å; I44-K104 HydrophobicContact CD1-CG 3.86Å; I44-K104 HydrophobicContact CG1-CG 4.48Å; I44-K104 HydrophobicContact CG2-CG 4.26Å; I44-Y107 HydrophobicContact CD1-CD1 4.37Å; I44-Y107 HydrophobicContact CG1-CD1 4.13Å; I44-Y107 HydrophobicContact CG1-CG 4Å
45	P	95.2	Very high	94.1	Very high	42 Å²	42	64.7 Å²	64.7	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-41.5	174.4	-28.7	36.8	0	0	0	113.5	E40 M48 H49	E40-P45 WeakPolarHBondContact O-CD 3.44Å; P45-M48 WeakPolarHBondContact O-CB 3.33Å; P45-M48 PolarHBondContact O-N 3.21Å; P45-H49 PolarHBondContact O-CD2 3.35Å; P45-H49 PolarHBondContact O-N 2.68Å
46	A	95	Very high	94.1	Very high	49 Å²	49	65 Å²	65	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-46.2	175.2	0	0	0	0	0	111.5	S42 F43 I44 M48 H49 D50	S42-A46 VanDerWaalsContact O-CB 3.24Å; S42-A46 WeakPolarHBondContact O-CB 3.45Å; S42-A46 PolarHBondContact O-N 3.33Å; F43-A46 PolarHBondContact O-N 2.89Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 3.27Å; A46-M48 VanDerWaalsContact C-N 3.32Å; A46-M48 PolarHBondContact O-N 2.82Å; A46-H49 PolarHBondContact O-N 3.32Å; A46-D50 PolarHBondContact O-N 3.29Å
47	L	95.3	Very high	94.2	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-38.9	176.4	-176.5	63.5	0	0	0	112.1	F43 I44 D50 R51 T103 L106 Y107 M110 V123	F43-L47 WeakPolarHBondContact O-CB 3.17Å; F43-L47 PolarHBondContact O-N 3.04Å; I44-L47 PolarHBondContact O-N 2.8Å; L47-D50 PolarHBondContact O-N 3Å; L47-R51 WeakPolarHBondContact O-CG 3.34Å; L47-R51 PolarHBondContact O-N 3.2Å; L47-T103 HydrophobicContact CB-CG2 4.07Å; L47-T103 HydrophobicContact CD2-CG2 3.72Å; L47-T103 HydrophobicContact CG-CG2 3.75Å; L47-L106 HydrophobicContact CD2-CD2 4.36Å; L47-L106 HydrophobicContact CD2-CG 4.38Å; L47-Y107 HydrophobicContact CD2-CD2 4.3Å; L47-M110 HydrophobicContact CD1-CE 4.05Å; L47-M110 HydrophobicContact CD1-SD 3.91Å; L47-M110 HydrophobicContact CD2-SD 4.08Å; L47-V123 HydrophobicContact CD1-CG2 3.39Å
48	M	95.1	Very high	94.2	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-50.3	173.5	-70.7	174.7	83.9	0	0	110.3	I44 P45 A46 D50 R51 L52 L94 F99 L100 T103	I44-M48 HydrophobicContact CG2-CG 4.45Å; I44-M48 HydrophobicContact CG2-SD 4.25Å; I44-M48 VanDerWaalsContact O-CG 3.3Å; I44-M48 WeakPolarHBondContact O-CG 3.43Å; I44-M48 PolarHBondContact O-N 3.3Å; P45-M48 WeakPolarHBondContact O-CB 3.33Å; P45-M48 PolarHBondContact O-N 3.21Å; A46-M48 VanDerWaalsContact C-N 3.32Å; A46-M48 PolarHBondContact O-N 2.82Å; M48-D50 VanDerWaalsContact C-N 3.33Å; M48-D50 PolarHBondContact O-N 3.17Å; M48-R51 WeakPolarHBondContact O-CB 3.5Å; M48-R51 PolarHBondContact O-N 3.27Å; M48-L52 VanDerWaalsContact O-CG 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.37Å; M48-L52 PolarHBondContact O-N 3.5Å; M48-L94 HydrophobicContact CB-CD2 4.2Å; M48-L94 HydrophobicContact CE-CD2 3.91Å; M48-L94 HydrophobicContact SD-CD2 4.38Å; M48-F99 HydrophobicContact CB-CE1 4.02Å; M48-F99 HydrophobicContact CE-CD1 3.51Å; M48-F99 HydrophobicContact CE-CE1 3.85Å; M48-F99 HydrophobicContact CG-CE1 4.11Å; M48-L100 HydrophobicContact CE-CB 4.22Å; M48-L100 HydrophobicContact CE-CD1 4.12Å; M48-L100 HydrophobicContact SD-CD1 3.62Å; M48-T103 HydrophobicContact CB-CG2 4.45Å; M48-T103 HydrophobicContact CG-CG2 3.55Å
49	H	94.6	Very high	94.3	Very high	85 Å²	85	58.8 Å²	58.8	39%	0.394	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-41.4	177.9	-74.9	-63	0	0	0	112.9	P45 A46 L52 R53	P45-H49 PolarHBondContact O-CD2 3.35Å; P45-H49 PolarHBondContact O-N 2.68Å; A46-H49 PolarHBondContact O-N 3.32Å; H49-L52 PolarHBondContact O-N 3.02Å; H49-R53 WeakPolarHBondContact O-CB 3.45Å; H49-R53 PolarHBondContact O-N 3.46Å
50	D	94.5	Very high	94.3	Very high	88 Å²	88	60.1 Å²	60.1	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175.8	-76.9	-15	0	0	0	111.8	A46 L47 M48 L52 R53 T54	A46-D50 PolarHBondContact O-N 3.29Å; L47-D50 PolarHBondContact O-N 3Å; M48-D50 VanDerWaalsContact C-N 3.33Å; M48-D50 PolarHBondContact O-N 3.17Å; D50-L52 PolarHBondContact O-N 3.23Å; D50-R53 PolarHBondContact O-N 3.05Å; D50-T54 WeakPolarHBondContact O-CB 3.34Å; D50-T54 VanDerWaalsContact O-CG2 3.3Å; D50-T54 WeakPolarHBondContact O-CG2 3.41Å; D50-T54 PolarHBondContact O-N 3.28Å; D50-T54 PolarHBondContact O-OG1 3.5Å
51	R	94.4	Very high	94.4	Very high	20 Å²	20	56.6 Å²	56.6	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-46	173.1	-75.1	-179.4	68.2	170.8	1.9	111.4	L47 M48 R53 T54 K55 Q56 F99 E102 T103 L106 V123	L47-R51 WeakPolarHBondContact O-CG 3.34Å; L47-R51 PolarHBondContact O-N 3.2Å; M48-R51 WeakPolarHBondContact O-CB 3.5Å; M48-R51 PolarHBondContact O-N 3.27Å; R51-R53 VanDerWaalsContact C-N 3.34Å; R51-R53 PolarHBondContact O-N 3.33Å; R51-T54 PolarHBondContact O-N 2.97Å; R51-T54 PolarHBondContact O-OG1 3.05Å; R51-K55 WeakPolarHBondContact O-CB 3.42Å; R51-K55 PolarHBondContact O-N 3.01Å; R51-Q56 PolarHBondContact O-OE1 2.84Å; R51-Q56 VanDerWaalsContact O-OE1 3.07Å; R51-F99 HydrophobicContact CB-CZ 3.97Å; R51-E102 IonicContact CZ-OE2 3.73Å; R51-E102 IonicContact NH1-OE2 2.81Å; R51-E102 IonicContact NH2-OE2 2.85Å; R51-E102 PolarHBondContact NH2-OE2 3.1Å; R51-T103 VanDerWaalsContact NH1-CA 3.31Å; R51-T103 PolarHBondContact NH1-OG1 3.06Å; R51-L106 HydrophobicContact CG-CD2 4.42Å; R51-V123 HydrophobicContact CG-CG1 4.24Å; R51-V123 HydrophobicContact CG-CG2 4.24Å
52	L	94.8	Very high	94.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-61.9	-43	-179.8	-66.1	171.5	0	0	0	111.6	M48 H49 D50 Q56 C57 N90 Y93 L94 F99	M48-L52 VanDerWaalsContact O-CG 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.37Å; M48-L52 PolarHBondContact O-N 3.5Å; H49-L52 PolarHBondContact O-N 3.02Å; D50-L52 PolarHBondContact O-N 3.23Å; L52-Q56 HydrophobicContact CD2-CB 3.96Å; L52-Q56 HydrophobicContact CD2-CG 4.36Å; L52-C57 CarbonylContact O-C 3.5Å; L52-C57 WeakPolarHBondContact O-CA 3.46Å; L52-C57 WeakPolarHBondContact O-CB 3.3Å; L52-C57 PolarHBondContact O-N 3.07Å; L52-N90 HydrophobicContact CD1-CB 4.07Å; L52-Y93 HydrophobicContact CD2-CD1 4.49Å; L52-Y93 HydrophobicContact CD2-CD2 3.66Å; L52-Y93 HydrophobicContact CD2-CG 3.61Å; L52-L94 HydrophobicContact CD1-CD2 4.02Å; L52-L94 HydrophobicContact CD1-CG 4Å; L52-F99 HydrophobicContact CD1-CE1 4.42Å; L52-F99 HydrophobicContact CD2-CE1 3.88Å; L52-F99 HydrophobicContact CD2-CZ 3.73Å; L52-F99 HydrophobicContact CG-CE1 4.06Å; L52-F99 HydrophobicContact CG-CZ 4.03Å
53	R	92.4	Very high	94.3	Very high	155 Å²	155	54.7 Å²	54.7	59%	0.585	27%	0.265	S	S	*	.	I	π-helix	trans	-69.8	-31.5	179	-170.1	175.3	178.7	-178.8	0.1	113.4	H49 D50 R51 A58 W61	H49-R53 WeakPolarHBondContact O-CB 3.45Å; H49-R53 PolarHBondContact O-N 3.46Å; D50-R53 PolarHBondContact O-N 3.05Å; R51-R53 VanDerWaalsContact C-N 3.34Å; R51-R53 PolarHBondContact O-N 3.33Å; R53-A58 WeakPolarHBondContact O-CA 3.44Å; R53-W61 HydrophobicContact CG-CB 4.36Å; R53-W61 HydrophobicContact CG-CG 4.11Å
54	T	92.5	Very high	94.4	Very high	29 Å²	29	52.9 Å²	52.9	18%	0.178	26%	0.255	C	S	.	.	I	π-helix	trans	-96.9	-25	-174.3	55	0	0	0	0	114.3	D50 R51 V123 R125	D50-T54 WeakPolarHBondContact O-CB 3.34Å; D50-T54 VanDerWaalsContact O-CG2 3.3Å; D50-T54 WeakPolarHBondContact O-CG2 3.41Å; D50-T54 PolarHBondContact O-N 3.28Å; D50-T54 PolarHBondContact O-OG1 3.5Å; R51-T54 PolarHBondContact O-N 2.97Å; R51-T54 PolarHBondContact O-OG1 3.05Å; T54-V123 WeakPolarHBondContact OG1-CG1 3.48Å; T54-R125 WeakPolarHBondContact O-CG 3.38Å
55	K	92.2	Very high	94.3	Very high	104 Å²	104	54.5 Å²	54.5	45%	0.452	27%	0.267	S	S	.	.	I	π-helix	trans	-125.7	-74.3	-173.9	-61.7	-177.1	178.9	-176.7	0	112.5	R51 A58	R51-K55 WeakPolarHBondContact O-CB 3.42Å; R51-K55 PolarHBondContact O-N 3.01Å; K55-A58 WeakPolarHBondContact O-CB 3.06Å
56	Q	91.5	Very high	94.3	Very high	61 Å²	61	56.8 Å²	56.8	29%	0.285	28%	0.276	S	S	.	.	I	π-helix	trans	-68.4	-43.3	-165.2	-74.3	66.1	50.3	0	0	113.8	R51 L52 Y93 F99	R51-Q56 PolarHBondContact O-OE1 2.84Å; R51-Q56 VanDerWaalsContact O-OE1 3.07Å; L52-Q56 HydrophobicContact CD2-CB 3.96Å; L52-Q56 HydrophobicContact CD2-CG 4.36Å; Q56-Y93 HydrophobicContact CB-CD2 4.1Å; Q56-Y93 HydrophobicContact CB-CE1 4.28Å; Q56-Y93 HydrophobicContact CB-CE2 3.65Å; Q56-Y93 HydrophobicContact CG-CD1 4.2Å; Q56-Y93 HydrophobicContact CG-CD2 4.47Å; Q56-Y93 HydrophobicContact CG-CE1 3.75Å; Q56-Y93 HydrophobicContact CG-CE2 4.07Å; Q56-F99 HydrophobicContact CG-CE2 4.28Å
57	C	94.6	Very high	94.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.02	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	19	-177.6	-55.9	0	0	0	0	111.4	L52 E59 L60 W61 C89	L52-C57 CarbonylContact O-C 3.5Å; L52-C57 WeakPolarHBondContact O-CA 3.46Å; L52-C57 WeakPolarHBondContact O-CB 3.3Å; L52-C57 PolarHBondContact O-N 3.07Å; C57-E59 VanDerWaalsContact C-N 3.33Å; C57-E59 PolarHBondContact O-N 2.94Å; C57-L60 PolarHBondContact O-N 3.39Å; C57-W61 PolarHBondContact O-N 3.44Å; C57-C89 HydrophobicContact CB-CB 3.89Å; C57-C89 WeakPolarHBondContact CB-SG 3.37Å; C57-C89 WeakPolarHBondContact SG-CB 3.18Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.02Å
58	A	94.4	Very high	94.3	Very high	6 Å²	6	56.4 Å²	56.4	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-41.7	-168.9	0	0	0	0	0	112.2	R53 K55 W61 D62	R53-A58 WeakPolarHBondContact O-CA 3.44Å; K55-A58 WeakPolarHBondContact O-CB 3.06Å; A58-W61 PolarHBondContact O-N 2.04Å; A58-D62 PolarHBondContact O-N 3.37Å
59	E	94.8	Very high	94.3	Very high	150 Å²	150	61.8 Å²	61.8	70%	0.701	29%	0.293	S	S	*	.	H	α-helix	trans	-61.8	-44.6	177.4	-64.2	179.8	174	0	0	112.5	C57 W61 D62 E63	C57-E59 VanDerWaalsContact C-N 3.33Å; C57-E59 PolarHBondContact O-N 2.94Å; E59-W61 VanDerWaalsContact C-N 3.33Å; E59-W61 PolarHBondContact O-N 3.2Å; E59-D62 WeakPolarHBondContact O-CB 3.23Å; E59-D62 PolarHBondContact O-N 2.91Å; E59-D62 VanDerWaalsContact O-N 3.16Å; E59-E63 WeakPolarHBondContact O-CG 3.36Å; E59-E63 PolarHBondContact O-N 3.49Å
60	L	95.1	Very high	94.3	Very high	44 Å²	44	62.2 Å²	62.2	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-37	178.7	-63.8	172.2	0	0	0	111.9	C57 D62 E63 W64 K85 A86 C89	C57-L60 PolarHBondContact O-N 3.39Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-E63 PolarHBondContact O-N 3.3Å; L60-W64 PolarHBondContact O-N 3.49Å; L60-W64 VanDerWaalsContact O-N 3.08Å; L60-K85 HydrophobicContact CD2-CB 4.21Å; L60-A86 HydrophobicContact CB-CB 4.03Å; L60-C89 HydrophobicContact CD1-CB 3.42Å; L60-C89 VanDerWaalsContact CD1-CB 3.42Å
61	W	95.1	Very high	94.3	Very high	34 Å²	34	63.2 Å²	63.2	13%	0.129	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-33.9	173.5	-77.5	111	0	0	0	112	R53 C57 A58 E59 W64 S65 F83 A86 N90	R53-W61 HydrophobicContact CG-CB 4.36Å; R53-W61 HydrophobicContact CG-CG 4.11Å; C57-W61 PolarHBondContact O-N 3.44Å; A58-W61 PolarHBondContact O-N 2.04Å; E59-W61 VanDerWaalsContact C-N 3.33Å; E59-W61 PolarHBondContact O-N 3.2Å; W61-W64 HydrophobicContact CE3-CD2 4.4Å; W61-W64 AromaticContact CE3-CE3 3.63Å; W61-W64 HydrophobicContact CE3-CE3 3.63Å; W61-W64 HydrophobicContact CE3-CZ3 4.01Å; W61-W64 HydrophobicContact CZ3-CD2 4.29Å; W61-W64 AromaticContact CZ3-CE3 3.71Å; W61-W64 HydrophobicContact CZ3-CE3 3.71Å; W61-W64 HydrophobicContact CZ3-CH2 4.48Å; W61-W64 AromaticContact CZ3-CZ3 3.82Å; W61-W64 HydrophobicContact CZ3-CZ3 3.82Å; W61-S65 VanDerWaalsContact O-CB 3.31Å; W61-S65 WeakPolarHBondContact O-CB 3.45Å; W61-S65 PolarHBondContact O-N 3.37Å; W61-F83 HydrophobicContact CH2-CE2 4.15Å; W61-F83 HydrophobicContact CZ3-CD2 4.41Å; W61-F83 HydrophobicContact CZ3-CE2 4.26Å; W61-A86 HydrophobicContact CD2-CB 4Å; W61-A86 HydrophobicContact CE3-CB 4.28Å; W61-A86 HydrophobicContact CG-CB 4.45Å; W61-A86 HydrophobicContact CH2-CB 4.4Å; W61-A86 HydrophobicContact CZ2-CB 4.11Å; W61-A86 HydrophobicContact CZ3-CB 4.48Å; W61-N90 WeakPolarHBondContact CZ2-ND2 3.44Å; W61-N90 PolarHBondContact NE1-OD1 2.95Å
62	D	94.7	Very high	94.2	Very high	58 Å²	58	70.6 Å²	70.6	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-69	-42.9	173.4	-65.4	-27.7	0	0	0	111.6	A58 E59 L60 W64 S65 N66 R125	A58-D62 PolarHBondContact O-N 3.37Å; E59-D62 WeakPolarHBondContact O-CB 3.23Å; E59-D62 PolarHBondContact O-N 2.91Å; E59-D62 VanDerWaalsContact O-N 3.16Å; L60-D62 VanDerWaalsContact C-N 3.34Å; D62-W64 PolarHBondContact O-N 3.27Å; D62-S65 CarbonylContact O-C 3.58Å; D62-S65 PolarHBondContact O-N 3.21Å; D62-N66 WeakPolarHBondContact O-CB 3.42Å; D62-N66 PolarHBondContact O-N 3.06Å; D62-N66 PolarHBondContact O-ND2 3.2Å; D62-R125 VanDerWaalsContact CG-NH1 3.29Å; D62-R125 IonicContact OD1-NH1 2.68Å; D62-R125 PolarHBondContact OD1-NH1 3.08Å; D62-R125 IonicContact OD2-CZ 3.94Å; D62-R125 IonicContact OD2-NH1 2.8Å; D62-R125 PolarHBondContact OD2-NH1 3.09Å; D62-R125 IonicContact OD2-NH2 3.15Å; D62-R125 PolarHBondContact OD2-NH2 3.17Å
63	E	94.9	Very high	94.1	Very high	88 Å²	88	81.2 Å²	81.2	41%	0.411	37%	0.369	S	S	.	.	H	α-helix	trans	-56	-49.8	174	-75.6	179.4	-174	0	0	111	E59 L60 S65 N66 C67	E59-E63 WeakPolarHBondContact O-CG 3.36Å; E59-E63 PolarHBondContact O-N 3.49Å; L60-E63 PolarHBondContact O-N 3.3Å; E63-S65 PolarHBondContact O-N 3.39Å; E63-N66 PolarHBondContact O-N 3.4Å; E63-C67 WeakPolarHBondContact O-CB 3.34Å; E63-C67 PolarHBondContact O-N 3.06Å
64	W	94.9	Very high	94.1	Very high	72 Å²	72	74.6 Å²	74.6	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-40.6	175.7	176.5	72.4	0	0	0	112.2	L60 W61 D62 N66 C67 T68 D82 F83	L60-W64 PolarHBondContact O-N 3.49Å; L60-W64 VanDerWaalsContact O-N 3.08Å; W61-W64 HydrophobicContact CE3-CD2 4.4Å; W61-W64 AromaticContact CE3-CE3 3.63Å; W61-W64 HydrophobicContact CE3-CE3 3.63Å; W61-W64 HydrophobicContact CE3-CZ3 4.01Å; W61-W64 HydrophobicContact CZ3-CD2 4.29Å; W61-W64 AromaticContact CZ3-CE3 3.71Å; W61-W64 HydrophobicContact CZ3-CE3 3.71Å; W61-W64 HydrophobicContact CZ3-CH2 4.48Å; W61-W64 AromaticContact CZ3-CZ3 3.82Å; W61-W64 HydrophobicContact CZ3-CZ3 3.82Å; D62-W64 PolarHBondContact O-N 3.27Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 PolarHBondContact O-N 3.29Å; W64-C67 PolarHBondContact O-N 3.35Å; W64-T68 HydrophobicContact CD2-CG2 4.27Å; W64-T68 HydrophobicContact CZ2-CG2 4.09Å; W64-T68 WeakPolarHBondContact O-CG2 3.08Å; W64-T68 PolarHBondContact O-N 2.95Å; W64-T68 PolarHBondContact O-OG1 3.44Å; W64-D82 HydrophobicContact CB-CB 4.3Å; W64-F83 HydrophobicContact CD2-CD2 4.21Å; W64-F83 AromaticContact CE2-CD2 3.68Å; W64-F83 HydrophobicContact CG-CB 4.44Å; W64-F83 HydrophobicContact CG-CD2 4.43Å; W64-F83 HydrophobicContact CZ2-CD2 4Å; W64-F83 HydrophobicContact CZ2-CE2 4.31Å; W64-F83 AromaticContact NE1-CD2 3.63Å; W64-F83 AromaticContact NE1-CG 3.97Å
65	S	94.4	Very high	94.1	Very high	36 Å²	36	73.6 Å²	73.6	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-38.5	175.7	-170.8	0	0	0	0	112.2	W61 D62 E63 T68 K69	W61-S65 VanDerWaalsContact O-CB 3.31Å; W61-S65 WeakPolarHBondContact O-CB 3.45Å; W61-S65 PolarHBondContact O-N 3.37Å; D62-S65 CarbonylContact O-C 3.58Å; D62-S65 PolarHBondContact O-N 3.21Å; E63-S65 PolarHBondContact O-N 3.39Å; S65-T68 WeakPolarHBondContact CA-OG1 3.47Å; S65-T68 PolarHBondContact O-OG1 2.92Å; S65-K69 WeakPolarHBondContact O-CB 3.37Å; S65-K69 WeakPolarHBondContact O-CD 3.46Å; S65-K69 VanDerWaalsContact O-CG 3.22Å; S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 3.46Å; S65-K69 WeakPolarHBondContact OG-CE 3.42Å
66	N	95.4	Very high	94	Very high	89 Å²	89	75.2 Å²	75.2	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-71.1	-39.6	178	-69.8	-24.3	0	0	0	111.5	D62 E63 W64 K69 T70	D62-N66 WeakPolarHBondContact O-CB 3.42Å; D62-N66 PolarHBondContact O-N 3.06Å; D62-N66 PolarHBondContact O-ND2 3.2Å; E63-N66 PolarHBondContact O-N 3.4Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 PolarHBondContact O-N 3.29Å; N66-K69 PolarHBondContact O-N 2.69Å; N66-T70 PolarHBondContact O-N 2.86Å; N66-T70 VanDerWaalsContact O-N 3.11Å; N66-T70 PolarHBondContact O-OG1 2.94Å
67	C	95.4	Very high	94.1	Very high	15 Å²	15	81.6 Å²	81.6	10%	0.101	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-46.3	174.2	-174.6	0	0	0	0	111.4	E63 W64 K69 T70 Y71 C79	E63-C67 WeakPolarHBondContact O-CB 3.34Å; E63-C67 PolarHBondContact O-N 3.06Å; W64-C67 PolarHBondContact O-N 3.35Å; C67-K69 VanDerWaalsContact C-N 3.35Å; C67-K69 PolarHBondContact O-N 3.47Å; C67-T70 PolarHBondContact O-N 2.81Å; C67-Y71 WeakPolarHBondContact O-CD2 3.3Å; C67-Y71 PolarHBondContact O-N 3.39Å; C67-C79 HydrophobicContact CB-CB 3.77Å; C67-C79 WeakPolarHBondContact CB-SG 3.33Å; C67-C79 PolarHBondContact O-SG 3.17Å; C67-C79 WeakPolarHBondContact SG-CA 3.01Å; C67-C79 WeakPolarHBondContact SG-CB 3.49Å; C67-C79 CovalentContact SG-SG 2.03Å; C67-C79 PolarHBondContact SG-SG 3.41Å
68	T	94.6	Very high	94	Very high	39 Å²	39	85.1 Å²	85.1	24%	0.239	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-37.6	179.4	51.1	0	0	0	0	112.8	W64 S65 T70 Y72 A75 C79	W64-T68 HydrophobicContact CD2-CG2 4.27Å; W64-T68 HydrophobicContact CZ2-CG2 4.09Å; W64-T68 WeakPolarHBondContact O-CG2 3.08Å; W64-T68 PolarHBondContact O-N 2.95Å; W64-T68 PolarHBondContact O-OG1 3.44Å; S65-T68 WeakPolarHBondContact CA-OG1 3.47Å; S65-T68 PolarHBondContact O-OG1 2.92Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 3.33Å; T68-Y72 WeakPolarHBondContact O-CA 3.27Å; T68-Y72 PolarHBondContact O-N 3.28Å; T68-A75 HydrophobicContact CG2-CB 3.98Å; T68-C79 HydrophobicContact CG2-CB 4.46Å
69	K	95.1	Very high	94.1	Very high	122 Å²	122	84.9 Å²	84.9	53%	0.53	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-29.8	172.1	-73	169.1	-171.7	168.3	0	113.4	S65 N66 C67 Y72	S65-K69 WeakPolarHBondContact O-CB 3.37Å; S65-K69 WeakPolarHBondContact O-CD 3.46Å; S65-K69 VanDerWaalsContact O-CG 3.22Å; S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 3.46Å; S65-K69 WeakPolarHBondContact OG-CE 3.42Å; N66-K69 PolarHBondContact O-N 2.69Å; C67-K69 VanDerWaalsContact C-N 3.35Å; C67-K69 PolarHBondContact O-N 3.47Å; K69-Y72 WeakPolarHBondContact O-CE2 3.31Å
70	T	95.3	Very high	94.1	Very high	94 Å²	94	83.7 Å²	83.7	58%	0.577	39%	0.386	S	S	*	.	H	α-helix	trans	-79.6	-45.4	-177.8	-57.3	0	0	0	0	111.7	N66 C67 T68	N66-T70 PolarHBondContact O-N 2.86Å; N66-T70 VanDerWaalsContact O-N 3.11Å; N66-T70 PolarHBondContact O-OG1 2.94Å; C67-T70 PolarHBondContact O-N 2.81Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 3.33Å
71	Y	93.4	Very high	94	Very high	108 Å²	108	85.8 Å²	85.8	42%	0.424	40%	0.401	S	S	.	.	H	α-helix	trans	-99.9	-7.9	-171.6	-65	-72.2	0	0	0	114.5	C67 W73 A74 I78	C67-Y71 WeakPolarHBondContact O-CD2 3.3Å; C67-Y71 PolarHBondContact O-N 3.39Å; Y71-W73 PolarHBondContact O-N 3.07Å; Y71-A74 PolarHBondContact O-N 3.38Å; Y71-I78 HydrophobicContact CD1-CD1 3.34Å; Y71-I78 HydrophobicContact CD1-CG2 4.4Å; Y71-I78 HydrophobicContact CD2-CB 4.22Å; Y71-I78 HydrophobicContact CD2-CD1 4.37Å; Y71-I78 HydrophobicContact CD2-CG2 3.68Å; Y71-I78 HydrophobicContact CE1-CD1 3.73Å; Y71-I78 HydrophobicContact CE1-CG2 4.3Å; Y71-I78 HydrophobicContact CE2-CG2 3.57Å; Y71-I78 HydrophobicContact CG-CB 4.27Å; Y71-I78 HydrophobicContact CG-CD1 3.69Å; Y71-I78 HydrophobicContact CG-CG2 4.1Å
72	Y	92.4	Very high	94	Very high	176 Å²	176	85.6 Å²	85.6	69%	0.69	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	45	-107.3	178.7	-63.5	-83.9	0	0	0	112.6	T68 K69 A74 A75	T68-Y72 WeakPolarHBondContact O-CA 3.27Å; T68-Y72 PolarHBondContact O-N 3.28Å; K69-Y72 WeakPolarHBondContact O-CE2 3.31Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 2.82Å; Y72-A75 WeakPolarHBondContact O-CB 3.48Å; Y72-A75 PolarHBondContact O-N 3.5Å
73	W	92.7	Very high	94	Very high	222 Å²	222	86.4 Å²	86.4	84%	0.841	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.7	-28.6	-178.4	65.7	-90.7	0	0	0	113.3	Y71 A75	Y71-W73 PolarHBondContact O-N 3.07Å; W73-A75 VanDerWaalsContact C-N 3.3Å
74	A	93.2	Very high	94.1	Very high	17 Å²	17	86.5 Å²	86.5	14%	0.14	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-84.2	-5.2	178.1	0	0	0	0	0	113	Y71 Y72 I76 Y77 I78	Y71-A74 PolarHBondContact O-N 3.38Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 2.82Å; A74-I76 VanDerWaalsContact C-N 3.26Å; A74-I76 PolarHBondContact O-N 2.93Å; A74-Y77 PolarHBondContact O-N 3.33Å; A74-I78 HydrophobicContact CB-CD1 3.87Å; A74-I78 PolarHBondContact O-N 3.25Å; A74-I78 VanDerWaalsContact O-N 3.14Å
75	A	92.6	Very high	94.1	Very high	8 Å²	8	88 Å²	88	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-61.4	-31	-175.1	0	0	0	0	0	113.7	T68 Y72 W73 Y77 I78 C79	T68-A75 HydrophobicContact CG2-CB 3.98Å; Y72-A75 WeakPolarHBondContact O-CB 3.48Å; Y72-A75 PolarHBondContact O-N 3.5Å; W73-A75 VanDerWaalsContact C-N 3.3Å; A75-Y77 PolarHBondContact O-N 3.14Å; A75-I78 PolarHBondContact O-N 3.39Å; A75-C79 WeakPolarHBondContact O-CA 3.24Å; A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 2.91Å
76	I	89.5	Confident	94.2	Very high	138 Å²	138	86.3 Å²	86.3	71%	0.708	40%	0.4	S	S	*	.	H	α-helix	trans	-60.5	-36.9	179.5	-63.6	170.8	0	0	0	111.1	A74	A74-I76 VanDerWaalsContact C-N 3.26Å; A74-I76 PolarHBondContact O-N 2.93Å
77	Y	92.7	Very high	94.2	Very high	194 Å²	194	85.1 Å²	85.1	76%	0.761	39%	0.393	S	S	*	.	H	α-helix	trans	-84.3	-41.6	179.5	-62.4	-75.4	0	0	0	111.9	A74 A75	A74-Y77 PolarHBondContact O-N 3.33Å; A75-Y77 PolarHBondContact O-N 3.14Å
78	I	94	Very high	94.3	Very high	78 Å²	78	89.9 Å²	89.9	40%	0.4	41%	0.414	S	S	.	.	H	α-helix	trans	-82.8	-44.1	-171.3	-61.6	172.2	0	0	0	111.7	Y71 A74 A75 K80	Y71-I78 HydrophobicContact CD1-CD1 3.34Å; Y71-I78 HydrophobicContact CD1-CG2 4.4Å; Y71-I78 HydrophobicContact CD2-CB 4.22Å; Y71-I78 HydrophobicContact CD2-CD1 4.37Å; Y71-I78 HydrophobicContact CD2-CG2 3.68Å; Y71-I78 HydrophobicContact CE1-CD1 3.73Å; Y71-I78 HydrophobicContact CE1-CG2 4.3Å; Y71-I78 HydrophobicContact CE2-CG2 3.57Å; Y71-I78 HydrophobicContact CG-CB 4.27Å; Y71-I78 HydrophobicContact CG-CD1 3.69Å; Y71-I78 HydrophobicContact CG-CG2 4.1Å; A74-I78 HydrophobicContact CB-CD1 3.87Å; A74-I78 PolarHBondContact O-N 3.25Å; A74-I78 VanDerWaalsContact O-N 3.14Å; A75-I78 PolarHBondContact O-N 3.39Å; I78-K80 VanDerWaalsContact C-N 3.27Å; I78-K80 PolarHBondContact O-N 3.31Å
79	C	95.6	Very high	94.4	Very high	1 Å²	1	89.2 Å²	89.2	1%	0.007	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	9.8	-172.7	-50.5	0	0	0	0	113.8	C67 T68 A75 T81 D82 F83	C67-C79 HydrophobicContact CB-CB 3.77Å; C67-C79 WeakPolarHBondContact CB-SG 3.33Å; C67-C79 PolarHBondContact O-SG 3.17Å; C67-C79 WeakPolarHBondContact SG-CA 3.01Å; C67-C79 WeakPolarHBondContact SG-CB 3.49Å; C67-C79 CovalentContact SG-SG 2.03Å; C67-C79 PolarHBondContact SG-SG 3.41Å; T68-C79 HydrophobicContact CG2-CB 4.46Å; A75-C79 WeakPolarHBondContact O-CA 3.24Å; A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 2.91Å; C79-T81 VanDerWaalsContact C-N 3.26Å; C79-T81 PolarHBondContact O-N 3.13Å; C79-D82 PolarHBondContact O-N 3.38Å; C79-F83 PolarHBondContact O-N 3.43Å
80	K	94.5	Very high	94.4	Very high	124 Å²	124	84 Å²	84	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-39.2	-178.1	-179.3	177.1	177.9	-176	0	111.7	I78 H84	I78-K80 VanDerWaalsContact C-N 3.27Å; I78-K80 PolarHBondContact O-N 3.31Å; K80-H84 WeakPolarHBondContact CE-NE2 3.24Å; K80-H84 PolarHBondContact O-CD2 3.04Å; K80-H84 PolarHBondContact O-N 3.43Å
81	T	94.6	Very high	94.4	Very high	88 Å²	88	84.3 Å²	84.3	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-44.8	179.2	49.1	0	0	0	0	112	C79 F83 H84 K85	C79-T81 VanDerWaalsContact C-N 3.26Å; C79-T81 PolarHBondContact O-N 3.13Å; T81-F83 VanDerWaalsContact C-N 3.34Å; T81-H84 PolarHBondContact O-N 3.2Å; T81-K85 WeakPolarHBondContact O-CG 3.47Å; T81-K85 PolarHBondContact O-N 3.38Å
82	D	94.4	Very high	94.5	Very high	31 Å²	31	86.4 Å²	86.4	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-70.4	-36.5	-178.1	-57.6	-28.9	0	0	0	110.8	W64 C79 H84 K85 A86	W64-D82 HydrophobicContact CB-CB 4.3Å; C79-D82 PolarHBondContact O-N 3.38Å; D82-H84 PolarHBondContact O-N 2.9Å; D82-K85 PolarHBondContact O-N 3.3Å; D82-K85 IonicContact OD1-NZ 3.19Å; D82-K85 PolarHBondContact OD1-NZ 3.22Å; D82-A86 PolarHBondContact O-N 2.89Å
83	F	95.3	Very high	94.6	Very high	74 Å²	74	81.3 Å²	81.3	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-47.1	170.7	-174.2	-113.5	0	0	0	112.3	W61 W64 C79 T81 K85 A86 L87	W61-F83 HydrophobicContact CH2-CE2 4.15Å; W61-F83 HydrophobicContact CZ3-CD2 4.41Å; W61-F83 HydrophobicContact CZ3-CE2 4.26Å; W64-F83 HydrophobicContact CD2-CD2 4.21Å; W64-F83 AromaticContact CE2-CD2 3.68Å; W64-F83 HydrophobicContact CG-CB 4.44Å; W64-F83 HydrophobicContact CG-CD2 4.43Å; W64-F83 HydrophobicContact CZ2-CD2 4Å; W64-F83 HydrophobicContact CZ2-CE2 4.31Å; W64-F83 AromaticContact NE1-CD2 3.63Å; W64-F83 AromaticContact NE1-CG 3.97Å; C79-F83 PolarHBondContact O-N 3.43Å; T81-F83 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.5Å; F83-A86 PolarHBondContact O-N 3.41Å; F83-L87 HydrophobicContact CD1-CD1 3.82Å; F83-L87 HydrophobicContact CD1-CG 4.36Å; F83-L87 HydrophobicContact CE1-CD1 3.33Å; F83-L87 HydrophobicContact CE1-CG 4.02Å; F83-L87 HydrophobicContact CE2-CG 4.4Å; F83-L87 HydrophobicContact CZ-CD1 3.75Å; F83-L87 HydrophobicContact CZ-CD2 4.18Å; F83-L87 HydrophobicContact CZ-CG 4.03Å; F83-L87 WeakPolarHBondContact O-CG 3.44Å; F83-L87 PolarHBondContact O-N 2.76Å
84	H	96	Very high	94.7	Very high	90 Å²	90	74 Å²	74	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-38.7	178	-78.3	-61.8	0	0	0	112.6	K80 T81 D82 A86 L87 E88	K80-H84 WeakPolarHBondContact CE-NE2 3.24Å; K80-H84 PolarHBondContact O-CD2 3.04Å; K80-H84 PolarHBondContact O-N 3.43Å; T81-H84 PolarHBondContact O-N 3.2Å; D82-H84 PolarHBondContact O-N 2.9Å; H84-A86 PolarHBondContact O-N 2.85Å; H84-L87 PolarHBondContact O-N 2.87Å; H84-E88 WeakPolarHBondContact O-CG 3.48Å; H84-E88 PolarHBondContact O-N 3.28Å
85	K	96	Very high	94.6	Very high	104 Å²	104	79.9 Å²	79.9	45%	0.452	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-46.1	174	-68.1	172.1	-170.1	159.8	0	111.5	L60 T81 D82 F83 L87 E88 C89	L60-K85 HydrophobicContact CD2-CB 4.21Å; T81-K85 WeakPolarHBondContact O-CG 3.47Å; T81-K85 PolarHBondContact O-N 3.38Å; D82-K85 PolarHBondContact O-N 3.3Å; D82-K85 IonicContact OD1-NZ 3.19Å; D82-K85 PolarHBondContact OD1-NZ 3.22Å; F83-K85 PolarHBondContact O-N 3.5Å; K85-L87 VanDerWaalsContact C-N 3.33Å; K85-L87 PolarHBondContact O-N 2.85Å; K85-E88 PolarHBondContact O-N 3.19Å; K85-C89 PolarHBondContact O-N 2.89Å
86	A	95.8	Very high	94.8	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-39.9	177.5	0	0	0	0	0	112	L60 W61 D82 F83 H84 C89 N90	L60-A86 HydrophobicContact CB-CB 4.03Å; W61-A86 HydrophobicContact CD2-CB 4Å; W61-A86 HydrophobicContact CE3-CB 4.28Å; W61-A86 HydrophobicContact CG-CB 4.45Å; W61-A86 HydrophobicContact CH2-CB 4.4Å; W61-A86 HydrophobicContact CZ2-CB 4.11Å; W61-A86 HydrophobicContact CZ3-CB 4.48Å; D82-A86 PolarHBondContact O-N 2.89Å; F83-A86 PolarHBondContact O-N 3.41Å; H84-A86 PolarHBondContact O-N 2.85Å; A86-C89 WeakPolarHBondContact O-CB 3.43Å; A86-C89 PolarHBondContact O-N 3.19Å; A86-N90 PolarHBondContact O-N 2.99Å
87	L	95.7	Very high	95	Very high	65 Å²	65	80.1 Å²	80.1	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-42.7	175.6	-74.7	-177.9	0	0	0	113.3	F83 H84 K85 C89 N90 K91	F83-L87 HydrophobicContact CD1-CD1 3.82Å; F83-L87 HydrophobicContact CD1-CG 4.36Å; F83-L87 HydrophobicContact CE1-CD1 3.33Å; F83-L87 HydrophobicContact CE1-CG 4.02Å; F83-L87 HydrophobicContact CE2-CG 4.4Å; F83-L87 HydrophobicContact CZ-CD1 3.75Å; F83-L87 HydrophobicContact CZ-CD2 4.18Å; F83-L87 HydrophobicContact CZ-CG 4.03Å; F83-L87 WeakPolarHBondContact O-CG 3.44Å; F83-L87 PolarHBondContact O-N 2.76Å; H84-L87 PolarHBondContact O-N 2.87Å; K85-L87 VanDerWaalsContact C-N 3.33Å; K85-L87 PolarHBondContact O-N 2.85Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.4Å; L87-N90 WeakPolarHBondContact O-CB 3.41Å; L87-N90 PolarHBondContact O-N 3.45Å; L87-K91 WeakPolarHBondContact O-CB 3.2Å; L87-K91 PolarHBondContact O-N 2.93Å
88	E	96.6	Very high	95.2	Very high	115 Å²	115	77.3 Å²	77.3	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-36.8	176.6	-74.2	-60.6	143.4	0	0	111.3	H84 K85 K91 K92	H84-E88 WeakPolarHBondContact O-CG 3.48Å; H84-E88 PolarHBondContact O-N 3.28Å; K85-E88 PolarHBondContact O-N 3.19Å; E88-K91 PolarHBondContact O-N 3.3Å; E88-K92 PolarHBondContact O-N 3Å; E88-K92 VanDerWaalsContact O-N 3.13Å
89	C	96.4	Very high	95.2	Very high	24 Å²	24	73.9 Å²	73.9	16%	0.162	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-49.1	171.3	-176.2	0	0	0	0	111.6	C57 L60 K85 A86 L87 K91 K92 Y93	C57-C89 HydrophobicContact CB-CB 3.89Å; C57-C89 WeakPolarHBondContact CB-SG 3.37Å; C57-C89 WeakPolarHBondContact SG-CB 3.18Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.02Å; L60-C89 HydrophobicContact CD1-CB 3.42Å; L60-C89 VanDerWaalsContact CD1-CB 3.42Å; K85-C89 PolarHBondContact O-N 2.89Å; A86-C89 WeakPolarHBondContact O-CB 3.43Å; A86-C89 PolarHBondContact O-N 3.19Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.4Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.42Å; C89-K92 PolarHBondContact O-N 3.06Å; C89-Y93 WeakPolarHBondContact O-CD2 3.32Å; C89-Y93 PolarHBondContact O-N 2.98Å
90	N	95.8	Very high	95.2	Very high	13 Å²	13	76.6 Å²	76.6	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-46.8	177	-78.3	8.7	0	0	0	111.6	L52 W61 A86 L87 K92 Y93 L94	L52-N90 HydrophobicContact CD1-CB 4.07Å; W61-N90 WeakPolarHBondContact CZ2-ND2 3.44Å; W61-N90 PolarHBondContact NE1-OD1 2.95Å; A86-N90 PolarHBondContact O-N 2.99Å; L87-N90 WeakPolarHBondContact O-CB 3.41Å; L87-N90 PolarHBondContact O-N 3.45Å; N90-K92 VanDerWaalsContact C-N 3.28Å; N90-K92 PolarHBondContact O-N 3.5Å; N90-Y93 PolarHBondContact O-N 3.08Å; N90-Y93 VanDerWaalsContact O-N 3.17Å; N90-L94 HydrophobicContact CB-CD1 4.4Å; N90-L94 VanDerWaalsContact O-CG 3.27Å; N90-L94 WeakPolarHBondContact O-CG 3.3Å; N90-L94 PolarHBondContact O-N 3.06Å
91	K	95.6	Very high	95.2	Very high	101 Å²	101	75.7 Å²	75.7	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-56.9	-41.8	-178.5	-175.1	-178.2	176.2	-172.5	0	112.1	L87 E88 C89 Y93 L94 Q95	L87-K91 WeakPolarHBondContact O-CB 3.2Å; L87-K91 PolarHBondContact O-N 2.93Å; E88-K91 PolarHBondContact O-N 3.3Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.42Å; K91-Y93 VanDerWaalsContact C-N 3.34Å; K91-Y93 PolarHBondContact O-N 3.24Å; K91-L94 PolarHBondContact O-N 2.73Å; K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.43Å; K91-Q95 PolarHBondContact O-N 3.33Å
92	K	95.3	Very high	95.3	Very high	152 Å²	152	76 Å²	76	66%	0.661	37%	0.365	S	S	*	.	H	α-helix	trans	-57.1	-45.2	177.9	-176.6	-177.7	175.3	-174.7	0	112.3	E88 C89 N90	E88-K92 PolarHBondContact O-N 3Å; E88-K92 VanDerWaalsContact O-N 3.13Å; C89-K92 PolarHBondContact O-N 3.06Å; N90-K92 VanDerWaalsContact C-N 3.28Å; N90-K92 PolarHBondContact O-N 3.5Å
93	Y	94.9	Very high	95.3	Very high	68 Å²	68	74.5 Å²	74.5	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-81.2	-31.5	-178.8	-74.1	-78	0	0	0	113.6	L52 Q56 C89 N90 K91 Q95 D96 F99	L52-Y93 HydrophobicContact CD2-CD1 4.49Å; L52-Y93 HydrophobicContact CD2-CD2 3.66Å; L52-Y93 HydrophobicContact CD2-CG 3.61Å; Q56-Y93 HydrophobicContact CB-CD2 4.1Å; Q56-Y93 HydrophobicContact CB-CE1 4.28Å; Q56-Y93 HydrophobicContact CB-CE2 3.65Å; Q56-Y93 HydrophobicContact CG-CD1 4.2Å; Q56-Y93 HydrophobicContact CG-CD2 4.47Å; Q56-Y93 HydrophobicContact CG-CE1 3.75Å; Q56-Y93 HydrophobicContact CG-CE2 4.07Å; C89-Y93 WeakPolarHBondContact O-CD2 3.32Å; C89-Y93 PolarHBondContact O-N 2.98Å; N90-Y93 PolarHBondContact O-N 3.08Å; N90-Y93 VanDerWaalsContact O-N 3.17Å; K91-Y93 VanDerWaalsContact C-N 3.34Å; K91-Y93 PolarHBondContact O-N 3.24Å; Y93-Q95 PolarHBondContact O-N 3.36Å; Y93-D96 WeakPolarHBondContact O-CB 3.43Å; Y93-D96 PolarHBondContact O-N 3.36Å; Y93-D96 VanDerWaalsContact O-N 3.11Å; Y93-F99 HydrophobicContact CD1-CD2 4.21Å; Y93-F99 HydrophobicContact CD1-CG 4.26Å; Y93-F99 WeakPolarHBondContact O-CD1 3.32Å
94	L	93.5	Very high	95.3	Very high	70 Å²	70	72.9 Å²	72.9	37%	0.366	35%	0.35	S	S	.	.	H	α-helix	trans	-66.8	-24	175.9	-69.3	171.5	0	0	0	112.4	M48 L52 N90 K91	M48-L94 HydrophobicContact CB-CD2 4.2Å; M48-L94 HydrophobicContact CE-CD2 3.91Å; M48-L94 HydrophobicContact SD-CD2 4.38Å; L52-L94 HydrophobicContact CD1-CD2 4.02Å; L52-L94 HydrophobicContact CD1-CG 4Å; N90-L94 HydrophobicContact CB-CD1 4.4Å; N90-L94 VanDerWaalsContact O-CG 3.27Å; N90-L94 WeakPolarHBondContact O-CG 3.3Å; N90-L94 PolarHBondContact O-N 3.06Å; K91-L94 PolarHBondContact O-N 2.73Å
95	Q	93.1	Very high	95.3	Very high	139 Å²	139	71.5 Å²	71.5	65%	0.65	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.1	174.5	-68.1	179.9	-34	0	0	113.2	K91 Y93 P97	K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.43Å; K91-Q95 PolarHBondContact O-N 3.33Å; Y93-Q95 PolarHBondContact O-N 3.36Å; Q95-P97 WeakPolarHBondContact O-CD 3.43Å
96	D	94.9	Very high	95.2	Very high	55 Å²	55	69 Å²	69	29%	0.294	35%	0.345	S	S	.	.			trans	-87.5	113.6	-176.8	-175.4	1.1	0	0	0	110.7	Y93 E98 F99 L100	Y93-D96 WeakPolarHBondContact O-CB 3.43Å; Y93-D96 PolarHBondContact O-N 3.36Å; Y93-D96 VanDerWaalsContact O-N 3.11Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.37Å; D96-E98 WeakPolarHBondContact OD1-CB 3.35Å; D96-E98 PolarHBondContact OD1-N 3.04Å; D96-F99 HydrophobicContact CB-CB 4Å; D96-F99 PolarHBondContact O-N 3Å; D96-L100 PolarHBondContact O-N 3.23Å
97	P	95.2	Very high	95.2	Very high	96 Å²	96	70.3 Å²	70.3	62%	0.623	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-29.2	179.3	27.4	-34.9	0	0	0	112.7	Q95 L100 E101	Q95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-L100 PolarHBondContact O-N 3.23Å; P97-E101 WeakPolarHBondContact O-CG 3.36Å; P97-E101 PolarHBondContact O-N 3.44Å; P97-E101 VanDerWaalsContact O-N 3.08Å
98	E	95.5	Very high	95.2	Very high	135 Å²	135	69 Å²	69	63%	0.631	34%	0.343	S	S	*	.	H	α-helix	trans	-66.5	-44.7	178.4	-173.7	173.6	-171.1	0	0	110.3	D96 L100 E101 E102	D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.37Å; D96-E98 WeakPolarHBondContact OD1-CB 3.35Å; D96-E98 PolarHBondContact OD1-N 3.04Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 2.62Å; E98-E101 PolarHBondContact O-N 2.85Å; E98-E102 WeakPolarHBondContact O-CG 3.49Å; E98-E102 PolarHBondContact O-N 2.83Å
99	F	95.4	Very high	95.1	Very high	7 Å²	7	70 Å²	70	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-35.6	176.6	-174.9	-109.5	0	0	0	112.9	M48 R51 L52 Q56 Y93 D96 T103	M48-F99 HydrophobicContact CB-CE1 4.02Å; M48-F99 HydrophobicContact CE-CD1 3.51Å; M48-F99 HydrophobicContact CE-CE1 3.85Å; M48-F99 HydrophobicContact CG-CE1 4.11Å; R51-F99 HydrophobicContact CB-CZ 3.97Å; L52-F99 HydrophobicContact CD1-CE1 4.42Å; L52-F99 HydrophobicContact CD2-CE1 3.88Å; L52-F99 HydrophobicContact CD2-CZ 3.73Å; L52-F99 HydrophobicContact CG-CE1 4.06Å; L52-F99 HydrophobicContact CG-CZ 4.03Å; Q56-F99 HydrophobicContact CG-CE2 4.28Å; Y93-F99 HydrophobicContact CD1-CD2 4.21Å; Y93-F99 HydrophobicContact CD1-CG 4.26Å; Y93-F99 WeakPolarHBondContact O-CD1 3.32Å; D96-F99 HydrophobicContact CB-CB 4Å; D96-F99 PolarHBondContact O-N 3Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 3.33Å; F99-T103 PolarHBondContact O-OG1 3.12Å
100	L	94.8	Very high	95	Very high	57 Å²	57	70.3 Å²	70.3	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-50.3	174	177.9	63.2	0	0	0	111.2	I44 M48 D96 P97 E98 E102 T103 K104	I44-L100 HydrophobicContact CG2-CD1 3.84Å; M48-L100 HydrophobicContact CE-CB 4.22Å; M48-L100 HydrophobicContact CE-CD1 4.12Å; M48-L100 HydrophobicContact SD-CD1 3.62Å; D96-L100 PolarHBondContact O-N 3.23Å; P97-L100 PolarHBondContact O-N 3.23Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 2.62Å; L100-E102 PolarHBondContact O-N 3.42Å; L100-T103 PolarHBondContact O-N 3.11Å; L100-T103 VanDerWaalsContact O-N 3.1Å; L100-K104 HydrophobicContact CG-CD 4.5Å; L100-K104 WeakPolarHBondContact O-CG 3.48Å; L100-K104 PolarHBondContact O-N 3.33Å
101	E	95.5	Very high	95	Very high	106 Å²	106	70.4 Å²	70.4	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-41.1	-179.5	-69.4	-54.6	126.6	0	0	112.3	P97 E98 T103 K104 A105	P97-E101 WeakPolarHBondContact O-CG 3.36Å; P97-E101 PolarHBondContact O-N 3.44Å; P97-E101 VanDerWaalsContact O-N 3.08Å; E98-E101 PolarHBondContact O-N 2.85Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 2.94Å; E101-K104 PolarHBondContact O-N 2.79Å; E101-K104 WeakPolarHBondContact OE1-CD 3.46Å; E101-K104 IonicContact OE1-NZ 3.23Å; E101-K104 PolarHBondContact OE1-NZ 2.91Å; E101-A105 PolarHBondContact O-N 3.2Å
102	E	95.5	Very high	94.9	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-41.1	171.4	-75.1	-172.1	177.5	0	0	112.1	R51 E98 L100 A105 L106	R51-E102 IonicContact CZ-OE2 3.73Å; R51-E102 IonicContact NH1-OE2 2.81Å; R51-E102 IonicContact NH2-OE2 2.85Å; R51-E102 PolarHBondContact NH2-OE2 3.1Å; E98-E102 WeakPolarHBondContact O-CG 3.49Å; E98-E102 PolarHBondContact O-N 2.83Å; L100-E102 PolarHBondContact O-N 3.42Å; E102-A105 PolarHBondContact O-N 3.36Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 2.89Å
103	T	94.8	Very high	94.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-35.9	-178.1	-55.4	0	0	0	0	111.5	L47 M48 R51 F99 L100 E101 L106 Y107	L47-T103 HydrophobicContact CB-CG2 4.07Å; L47-T103 HydrophobicContact CD2-CG2 3.72Å; L47-T103 HydrophobicContact CG-CG2 3.75Å; M48-T103 HydrophobicContact CB-CG2 4.45Å; M48-T103 HydrophobicContact CG-CG2 3.55Å; R51-T103 VanDerWaalsContact NH1-CA 3.31Å; R51-T103 PolarHBondContact NH1-OG1 3.06Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 3.33Å; F99-T103 PolarHBondContact O-OG1 3.12Å; L100-T103 PolarHBondContact O-N 3.11Å; L100-T103 VanDerWaalsContact O-N 3.1Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 2.94Å; T103-L106 PolarHBondContact O-N 3.17Å; T103-Y107 WeakPolarHBondContact O-CB 3.09Å; T103-Y107 PolarHBondContact O-N 3.11Å
104	K	95.6	Very high	94.8	Very high	39 Å²	39	62.7 Å²	62.7	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-47.4	170.5	-72.7	176.6	-178.5	170.7	0	111.5	I35 I44 L100 E101 L106 Y107 L108	I35-K104 HydrophobicContact CD1-CB 4.42Å; I35-K104 HydrophobicContact CD1-CD 4.42Å; I35-K104 HydrophobicContact CD1-CG 4.38Å; I44-K104 HydrophobicContact CD1-CG 3.86Å; I44-K104 HydrophobicContact CG1-CG 4.48Å; I44-K104 HydrophobicContact CG2-CG 4.26Å; L100-K104 HydrophobicContact CG-CD 4.5Å; L100-K104 WeakPolarHBondContact O-CG 3.48Å; L100-K104 PolarHBondContact O-N 3.33Å; E101-K104 PolarHBondContact O-N 2.79Å; E101-K104 WeakPolarHBondContact OE1-CD 3.46Å; E101-K104 IonicContact OE1-NZ 3.23Å; E101-K104 PolarHBondContact OE1-NZ 2.91Å; K104-L106 VanDerWaalsContact C-N 3.32Å; K104-L106 PolarHBondContact O-N 3.31Å; K104-Y107 WeakPolarHBondContact O-CB 3.2Å; K104-Y107 PolarHBondContact O-N 3.42Å; K104-L108 WeakPolarHBondContact O-CG 3.48Å; K104-L108 PolarHBondContact O-N 2.89Å
105	A	95.4	Very high	94.8	Very high	62 Å²	62	60.9 Å²	60.9	51%	0.512	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-41.5	177.4	0	0	0	0	0	112	E101 E102 K109	E101-A105 PolarHBondContact O-N 3.2Å; E102-A105 PolarHBondContact O-N 3.36Å; A105-K109 PolarHBondContact O-N 2.96Å; A105-K109 VanDerWaalsContact O-N 3.12Å
106	L	94.7	Very high	94.8	Very high	51 Å²	51	59 Å²	59	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-44.5	174.3	-179.9	63.3	0	0	0	111.7	L47 R51 E102 T103 K104 K109 M110 V123	L47-L106 HydrophobicContact CD2-CD2 4.36Å; L47-L106 HydrophobicContact CD2-CG 4.38Å; R51-L106 HydrophobicContact CG-CD2 4.42Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 2.89Å; T103-L106 PolarHBondContact O-N 3.17Å; K104-L106 VanDerWaalsContact C-N 3.32Å; K104-L106 PolarHBondContact O-N 3.31Å; L106-K109 WeakPolarHBondContact O-CB 3.17Å; L106-K109 PolarHBondContact O-N 2.92Å; L106-M110 HydrophobicContact CD1-CG 4.35Å; L106-M110 HydrophobicContact CD1-SD 4.23Å; L106-M110 HydrophobicContact CD2-SD 4.35Å; L106-M110 HydrophobicContact CG-CG 4.45Å; L106-M110 HydrophobicContact CG-SD 3.86Å; L106-M110 VanDerWaalsContact O-CG 3.32Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 2.76Å; L106-V123 HydrophobicContact CD2-CG2 4.46Å
107	Y	95.7	Very high	94.8	Very high	28 Å²	28	60 Å²	60	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-49.4	177.5	176.3	-101.5	0	0	0	111.4	E39 F43 I44 L47 T103 K104 K109 M110 R111	E39-Y107 HydrophobicContact CB-CE1 3.9Å; E39-Y107 VanDerWaalsContact CD-OH 3.31Å; E39-Y107 HydrophobicContact CG-CE1 3.97Å; E39-Y107 WeakPolarHBondContact CG-OH 3.47Å; E39-Y107 PolarHBondContact OE1-OH 3.19Å; F43-Y107 HydrophobicContact CB-CD2 4.35Å; F43-Y107 HydrophobicContact CB-CE2 3.67Å; F43-Y107 HydrophobicContact CD1-CE2 4.42Å; F43-Y107 HydrophobicContact CG-CE2 4.26Å; I44-Y107 HydrophobicContact CD1-CD1 4.37Å; I44-Y107 HydrophobicContact CG1-CD1 4.13Å; I44-Y107 HydrophobicContact CG1-CG 4Å; L47-Y107 HydrophobicContact CD2-CD2 4.3Å; T103-Y107 WeakPolarHBondContact O-CB 3.09Å; T103-Y107 PolarHBondContact O-N 3.11Å; K104-Y107 WeakPolarHBondContact O-CB 3.2Å; K104-Y107 PolarHBondContact O-N 3.42Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 3.37Å; Y107-M110 PolarHBondContact O-N 2.78Å; Y107-M110 VanDerWaalsContact O-N 3.14Å; Y107-R111 HydrophobicContact CE1-CB 4.43Å; Y107-R111 WeakPolarHBondContact O-CB 3.15Å; Y107-R111 PolarHBondContact O-N 3.48Å
108	L	95.3	Very high	94.6	Very high	36 Å²	36	57 Å²	57	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-41.5	177.3	-70.8	176	0	0	0	111.8	I35 K104 R111 S112	I35-L108 HydrophobicContact CD1-CD2 4.45Å; I35-L108 HydrophobicContact CG1-CD2 3.97Å; K104-L108 WeakPolarHBondContact O-CG 3.48Å; K104-L108 PolarHBondContact O-N 2.89Å; L108-R111 PolarHBondContact O-N 3.26Å; L108-S112 WeakPolarHBondContact O-CB 3.48Å; L108-S112 PolarHBondContact O-N 2.6Å
109	K	94.8	Very high	94.4	Very high	138 Å²	138	56.4 Å²	56.4	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-61.8	-48.6	174.9	-175.5	177.9	-179.9	177.8	0	111.7	A105 L106 Y107 R111 S112 N113	A105-K109 PolarHBondContact O-N 2.96Å; A105-K109 VanDerWaalsContact O-N 3.12Å; L106-K109 WeakPolarHBondContact O-CB 3.17Å; L106-K109 PolarHBondContact O-N 2.92Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 3.37Å; K109-R111 VanDerWaalsContact C-N 3.34Å; K109-R111 PolarHBondContact O-N 3.39Å; K109-S112 PolarHBondContact O-N 3.3Å; K109-S112 PolarHBondContact O-OG 2.94Å; K109-N113 PolarHBondContact O-N 2.85Å; K109-N113 PolarHBondContact O-ND2 2.94Å
110	M	94.4	Very high	94.2	Very high	29 Å²	29	63.2 Å²	63.2	14%	0.143	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-43.3	178.3	-69.3	171.3	60.1	0	0	111.5	L47 L106 Y107 N113 Y114 Q121	L47-M110 HydrophobicContact CD1-CE 4.05Å; L47-M110 HydrophobicContact CD1-SD 3.91Å; L47-M110 HydrophobicContact CD2-SD 4.08Å; L106-M110 HydrophobicContact CD1-CG 4.35Å; L106-M110 HydrophobicContact CD1-SD 4.23Å; L106-M110 HydrophobicContact CD2-SD 4.35Å; L106-M110 HydrophobicContact CG-CG 4.45Å; L106-M110 HydrophobicContact CG-SD 3.86Å; L106-M110 VanDerWaalsContact O-CG 3.32Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 2.76Å; Y107-M110 PolarHBondContact O-N 2.78Å; Y107-M110 VanDerWaalsContact O-N 3.14Å; M110-N113 PolarHBondContact O-N 2.81Å; M110-Y114 WeakPolarHBondContact O-CB 3.3Å; M110-Y114 PolarHBondContact O-N 3.43Å; M110-Q121 HydrophobicContact CB-CB 4.47Å; M110-Q121 HydrophobicContact CE-CB 4.02Å; M110-Q121 WeakPolarHBondContact CE-O 2.8Å; M110-Q121 HydrophobicContact CG-CB 4.13Å
111	R	94.2	Very high	93.9	Very high	15 Å²	15	64.6 Å²	64.6	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-45.5	175.7	-172.6	179.5	74.9	177.2	3.2	111.8	S32 E34 E39 Y107 L108 K109 N113 Y114 R115	S32-R111 PolarHBondContact O-NH2 3.25Å; E34-R111 VanDerWaalsContact O-CZ 3.24Å; E34-R111 PolarHBondContact O-NH1 2.74Å; E34-R111 PolarHBondContact O-NH2 2.76Å; E39-R111 WeakPolarHBondContact OE1-CD 3.48Å; E39-R111 IonicContact OE1-CZ 2.62Å; E39-R111 IonicContact OE1-NE 3.47Å; E39-R111 IonicContact OE1-NH1 3.86Å; E39-R111 PolarHBondContact OE1-NH1 3.37Å; E39-R111 IonicContact OE2-NH1 3.58Å; E39-R111 PolarHBondContact OE2-NH1 2.78Å; Y107-R111 HydrophobicContact CE1-CB 4.43Å; Y107-R111 WeakPolarHBondContact O-CB 3.15Å; Y107-R111 PolarHBondContact O-N 3.48Å; L108-R111 PolarHBondContact O-N 3.26Å; K109-R111 VanDerWaalsContact C-N 3.34Å; K109-R111 PolarHBondContact O-N 3.39Å; R111-N113 VanDerWaalsContact C-N 3.29Å; R111-N113 PolarHBondContact O-N 2.94Å; R111-Y114 PolarHBondContact O-N 2.98Å; R111-R115 HydrophobicContact CG-CG 4.46Å; R111-R115 WeakPolarHBondContact O-CB 3.24Å; R111-R115 WeakPolarHBondContact O-CG 3.24Å; R111-R115 PolarHBondContact O-N 2.78Å
112	S	93.8	Very high	93.4	Very high	18 Å²	18	69.1 Å²	69.1	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-39.7	177.1	80.4	0	0	0	0	111.6	P30 L108 K109 R115 R116	P30-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 WeakPolarHBondContact O-CB 3.48Å; L108-S112 PolarHBondContact O-N 2.6Å; K109-S112 PolarHBondContact O-N 3.3Å; K109-S112 PolarHBondContact O-OG 2.94Å; S112-R115 PolarHBondContact O-N 3.35Å; S112-R116 VanDerWaalsContact CB-NH1 3.34Å; S112-R116 VanDerWaalsContact O-CG 3.3Å; S112-R116 WeakPolarHBondContact O-CG 3.09Å; S112-R116 PolarHBondContact O-N 2.98Å; S112-R116 PolarHBondContact OG-NH1 3.33Å
113	N	94.5	Very high	93	Very high	41 Å²	41	65.9 Å²	65.9	22%	0.219	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-42.9	175.9	-73.3	-32.7	0	0	0	111.7	K109 M110 R111 R116 T117 Q121	K109-N113 PolarHBondContact O-N 2.85Å; K109-N113 PolarHBondContact O-ND2 2.94Å; M110-N113 PolarHBondContact O-N 2.81Å; R111-N113 VanDerWaalsContact C-N 3.29Å; R111-N113 PolarHBondContact O-N 2.94Å; N113-R116 PolarHBondContact O-N 2.92Å; N113-T117 WeakPolarHBondContact O-CB 3.35Å; N113-T117 PolarHBondContact O-N 3.44Å; N113-T117 PolarHBondContact O-OG1 2.86Å; N113-Q121 PolarHBondContact ND2-NE2 3.28Å; N113-Q121 PolarHBondContact ND2-OE1 3Å
114	Y	94.8	Very high	92.6	Very high	100 Å²	100	70.8 Å²	70.8	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.8	179	-105	0	0	0	111.5	L27 M110 R111 R116 T117 G118 E120	L27-Y114 HydrophobicContact CD1-CD1 4.38Å; L27-Y114 HydrophobicContact CD1-CE1 3.92Å; M110-Y114 WeakPolarHBondContact O-CB 3.3Å; M110-Y114 PolarHBondContact O-N 3.43Å; R111-Y114 PolarHBondContact O-N 2.98Å; Y114-R116 VanDerWaalsContact C-N 3.31Å; Y114-R116 PolarHBondContact O-N 3.42Å; Y114-T117 PolarHBondContact O-N 3.31Å; Y114-G118 VanDerWaalsContact O-CA 3.24Å; Y114-G118 WeakPolarHBondContact O-CA 3.22Å; Y114-G118 PolarHBondContact O-N 3.06Å; Y114-E120 HydrophobicContact CD2-CB 4.22Å; Y114-E120 HydrophobicContact CE2-CB 4.39Å
115	R	93.4	Very high	91.9	Very high	33 Å²	33	73.3 Å²	73.3	13%	0.125	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-31.6	176.8	-69.9	-179.5	171.6	164.1	5.5	113.3	L27 G28 D29 P30 R111 S112	L27-R115 HydrophobicContact CB-CG 4.31Å; L27-R115 WeakPolarHBondContact O-CG 3.12Å; L27-R115 PolarHBondContact O-NE 3.01Å; G28-R115 WeakPolarHBondContact O-CD 3.37Å; D29-R115 VanDerWaalsContact O-CD 3.32Å; D29-R115 WeakPolarHBondContact O-CD 3.35Å; D29-R115 PolarHBondContact O-NH1 3.18Å; P30-R115 HydrophobicContact CB-CB 4.09Å; P30-R115 HydrophobicContact CG-CB 3.89Å; R111-R115 HydrophobicContact CG-CG 4.46Å; R111-R115 WeakPolarHBondContact O-CB 3.24Å; R111-R115 WeakPolarHBondContact O-CG 3.24Å; R111-R115 PolarHBondContact O-N 2.78Å; S112-R115 PolarHBondContact O-N 3.35Å
116	R	92.4	Very high	91.1	Very high	98 Å²	98	75.6 Å²	75.6	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-78.5	-40.2	175.8	-70.7	-176	-167.5	106.1	-7	113.5	P30 E31 S112 N113 Y114	P30-R116 HydrophobicContact CB-CG 3.67Å; P30-R116 HydrophobicContact CG-CG 3.81Å; E31-R116 VanDerWaalsContact CD-NH2 3.26Å; E31-R116 IonicContact OE1-CZ 3.05Å; E31-R116 IonicContact OE1-NE 3.85Å; E31-R116 IonicContact OE1-NH2 2.86Å; E31-R116 PolarHBondContact OE1-NH2 3.03Å; E31-R116 IonicContact OE2-NH2 3.82Å; E31-R116 PolarHBondContact OE2-NH2 3.32Å; S112-R116 VanDerWaalsContact CB-NH1 3.34Å; S112-R116 VanDerWaalsContact O-CG 3.3Å; S112-R116 WeakPolarHBondContact O-CG 3.09Å; S112-R116 PolarHBondContact O-N 2.98Å; S112-R116 PolarHBondContact OG-NH1 3.33Å; N113-R116 PolarHBondContact O-N 2.92Å; Y114-R116 VanDerWaalsContact C-N 3.31Å; Y114-R116 PolarHBondContact O-N 3.42Å
117	T	94.1	Very high	89.6	Confident	77 Å²	77	79.8 Å²	79.8	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-114.7	-18.6	-165.5	65.4	0	0	0	0	114.6	N113 Y114 L119	N113-T117 WeakPolarHBondContact O-CB 3.35Å; N113-T117 PolarHBondContact O-N 3.44Å; N113-T117 PolarHBondContact O-OG1 2.86Å; Y114-T117 PolarHBondContact O-N 3.31Å; T117-L119 PolarHBondContact O-N 3.16Å; T117-L119 PolarHBondContact OG1-N 3.09Å
118	G	91.9	Very high	87.3	Confident	33 Å²	33	91.7 Å²	91.7	34%	0.34	44%	0.442	S	S	.	.	S	Bend	trans	72.7	4.2	-170.5	0	0	0	0	0	114	L25 Y114	L25-G118 VanDerWaalsContact CD1-N 3.26Å; Y114-G118 VanDerWaalsContact O-CA 3.24Å; Y114-G118 WeakPolarHBondContact O-CA 3.22Å; Y114-G118 PolarHBondContact O-N 3.06Å
119	L	92.2	Very high	86.9	Confident	123 Å²	123	94.5 Å²	94.5	64%	0.644	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-99.5	117.5	-177.4	-59.7	176.7	0	0	0	110.5	T117 Q121	T117-L119 PolarHBondContact O-N 3.16Å; T117-L119 PolarHBondContact OG1-N 3.09Å; L119-Q121 PolarHBondContact O-N 3.1Å
120	E	89.4	Confident	86.4	Confident	149 Å²	149	92.2 Å²	92.2	70%	0.696	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-72	125.6	176.9	-172.6	-178.4	-164.9	0	0	110.4	Y114	Y114-E120 HydrophobicContact CD2-CB 4.22Å; Y114-E120 HydrophobicContact CE2-CB 4.39Å
121	Q	89.3	Confident	86	Confident	86 Å²	86	95.7 Å²	95.7	40%	0.402	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-87	141.5	173.8	-64	-172	-48.1	0	0	109.5	M110 N113 L119	M110-Q121 HydrophobicContact CB-CB 4.47Å; M110-Q121 HydrophobicContact CE-CB 4.02Å; M110-Q121 WeakPolarHBondContact CE-O 2.8Å; M110-Q121 HydrophobicContact CG-CB 4.13Å; N113-Q121 PolarHBondContact ND2-NE2 3.28Å; N113-Q121 PolarHBondContact ND2-OE1 3Å; L119-Q121 PolarHBondContact O-N 3.1Å
122	R	86.2	Confident	85.5	Confident	202 Å²	202	100.4 Å²	100.4	76%	0.762	49%	0.488	S	S	*	.			trans	-119.8	146.5	173.8	-67.7	-169.3	-73.7	-132	0.1	110.3	V124	R122-V124 PolarHBondContact O-N 3.08Å
123	V	87	Confident	85	Confident	26 Å²	26	105.6 Å²	105.6	16%	0.158	51%	0.511	C	S	.	.			trans	-75.3	106.3	171.4	-174.7	0	0	0	0	107.7	L47 R51 T54 L106	L47-V123 HydrophobicContact CD1-CG2 3.39Å; R51-V123 HydrophobicContact CG-CG1 4.24Å; R51-V123 HydrophobicContact CG-CG2 4.24Å; T54-V123 WeakPolarHBondContact OG1-CG1 3.48Å; L106-V123 HydrophobicContact CD2-CG2 4.46Å
124	V	85.8	Confident	84.4	Confident	103 Å²	103	109.9 Å²	109.9	62%	0.624	53%	0.53	S	S	*	.			trans	-99.3	142.9	177.4	-173.5	0	0	0	0	108.9	R122 T126	R122-V124 PolarHBondContact O-N 3.08Å; V124-T126 PolarHBondContact O-N 3.31Å
125	R	80.8	Confident	83.6	Confident	92 Å²	92	110.6 Å²	110.6	35%	0.347	54%	0.54	S	S	.	.			trans	-63.5	118.4	168	-173.7	173.2	-171.1	145.6	-5.6	107.9	T54 D62 D127	T54-R125 WeakPolarHBondContact O-CG 3.38Å; D62-R125 VanDerWaalsContact CG-NH1 3.29Å; D62-R125 IonicContact OD1-NH1 2.68Å; D62-R125 PolarHBondContact OD1-NH1 3.08Å; D62-R125 IonicContact OD2-CZ 3.94Å; D62-R125 IonicContact OD2-NH1 2.8Å; D62-R125 PolarHBondContact OD2-NH1 3.09Å; D62-R125 IonicContact OD2-NH2 3.15Å; D62-R125 PolarHBondContact OD2-NH2 3.17Å; R125-D127 IonicContact NE-OD1 2.76Å
126	T	77.5	Confident	82.9	Confident	110 Å²	110	116.5 Å²	116.5	68%	0.675	57%	0.572	S	S	*	*			trans	-92.7	107.5	169.1	36	0	0	0	0	104.9	V124 K128	V124-T126 PolarHBondContact O-N 3.31Å; T126-K128 PolarHBondContact O-N 3.36Å
127	D	63.9	Low	82.1	Confident	139 Å²	139	118.1 Å²	118.1	74%	0.743	59%	0.589	S	S	*	*			trans	-59.4	124.9	174.9	-61	-40.6	0	0	0	107.6	R125	R125-D127 IonicContact NE-OD1 2.76Å
128	K	46.9	Very low	81	Confident	277 Å²	277	121.8 Å²	121.8	100%	1.204	60%	0.6	S	S	*	*			trans	-78.6	0	171.8	-84	-172.7	177.5	-179.4	0	110.1	T126	T126-K128 PolarHBondContact O-N 3.36Å

Retrieved 128 of 128 residues in 24.6 ms (Link to these results)

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