A0A3Q0KDE4_SCHMA Loading...

Putative placenta-specificprotein 8 protein (C15 protein)

AlphaFold DB , UniProt , Accession A0A3Q0KDE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 aa.

						>A0A3Q0KDE4_SCHMA|A0A3Q0KDE4
MVEVKSSGQPTTVVLQQPMAVMPTQGYSLTREWSSGICSCFDDCESCLCAGFCFPCYLCHVYNISNEACWLPLMGIGVFPLRIKHRIKHNINGSILDDNFVTSCCPQLALCQLRRDMKFMGF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	56.3	Low	242 Å²	242	143.2 Å²	143.2	100%	1.192	82%	0.822	S	S	*	*				0	115.1	0	-37.3	177.5	-134.2	0	0	104.7
2	V	49.5	Very low	57.8	Low	123 Å²	123	141.5 Å²	141.5	75%	0.745	82%	0.817	S	S	*	*			cis	-146.1	133.4	18.7	169.5	0	0	0	0	106.7	V4	V2-V4 HydrophobicContact CG1-CG2 4.17Å
3	E	50.7	Low	58.9	Low	179 Å²	179	139.8 Å²	139.8	84%	0.836	81%	0.809	S	S	*	*			trans	-82	110.7	167	-81.8	-76.6	142.9	0	0	108.2	K5	E3-K5 PolarHBondContact O-N 3.1Å
4	V	64.8	Low	59.5	Low	125 Å²	125	139.1 Å²	139.1	76%	0.758	81%	0.808	S	S	*	*			trans	-87.7	93.4	176.8	-175.2	0	0	0	0	108.1	V2 S6	V2-V4 HydrophobicContact CG1-CG2 4.17Å; V4-S6 PolarHBondContact O-N 3.31Å; V4-S6 VanDerWaalsContact O-N 3.1Å
5	K	55.8	Low	60.4	Low	192 Å²	192	140 Å²	140	84%	0.835	81%	0.808	S	S	*	*			trans	-69.8	100.1	169.7	-78.6	-179.1	175.5	178.3	0	109.5	E3 S7	E3-K5 PolarHBondContact O-N 3.1Å; K5-S7 PolarHBondContact O-N 3.07Å; K5-S7 VanDerWaalsContact O-N 3.15Å
6	S	65.4	Low	60.9	Low	115 Å²	115	142.7 Å²	142.7	80%	0.804	81%	0.81	S	S	*	*			trans	-76.6	93.4	168.4	-178	0	0	0	0	109.3	V4 G8	V4-S6 PolarHBondContact O-N 3.31Å; V4-S6 VanDerWaalsContact O-N 3.1Å; S6-G8 PolarHBondContact O-N 3.15Å; S6-G8 VanDerWaalsContact O-N 3.07Å
7	S	56.9	Low	61.1	Low	110 Å²	110	144.2 Å²	144.2	77%	0.769	81%	0.809	S	S	*	*			trans	-68.5	97.8	167.7	51.9	0	0	0	0	109.3	K5 Q9	K5-S7 PolarHBondContact O-N 3.07Å; K5-S7 VanDerWaalsContact O-N 3.15Å; S7-Q9 PolarHBondContact O-N 3.15Å; S7-Q9 VanDerWaalsContact O-N 3.15Å
8	G	51.3	Low	61.1	Low	76 Å²	76	143.2 Å²	143.2	78%	0.784	81%	0.81	S	S	*	*			trans	-68.5	104.6	169.7	0	0	0	0	0	109.6	S6	S6-G8 PolarHBondContact O-N 3.15Å; S6-G8 VanDerWaalsContact O-N 3.07Å
9	Q	57.3	Low	61.1	Low	171 Å²	171	144.6 Å²	144.6	80%	0.799	81%	0.811	S	S	*	*			trans	-105.2	118.5	166.2	-151.2	168.3	-7.4	0	0	107.6	S7 T11	S7-Q9 PolarHBondContact O-N 3.15Å; S7-Q9 VanDerWaalsContact O-N 3.15Å; Q9-T11 PolarHBondContact O-N 2.99Å
10	P	57.9	Low	61	Low	112 Å²	112	142.1 Å²	142.1	73%	0.727	81%	0.81	S	S	*	*			trans	-66.7	118	-173.1	24	-31.1	0	0	0	110.2	T12	P10-T12 PolarHBondContact O-N 2.02Å; P10-T12 VanDerWaalsContact O-N 3.11Å
11	T	70	Confident	61.1	Low	130 Å²	130	141.8 Å²	141.8	80%	0.798	81%	0.81	S	S	*	*			trans	-76.9	96.9	173.7	-35.7	0	0	0	0	108.4	Q9 V13	Q9-T11 PolarHBondContact O-N 2.99Å; T11-V13 PolarHBondContact O-N 3.48Å
12	T	74.2	Confident	61.9	Low	123 Å²	123	137.2 Å²	137.2	76%	0.755	79%	0.788	S	S	*	*			trans	-69.4	99.3	171.2	-36.5	0	0	0	0	108.1	P10 V14	P10-T12 PolarHBondContact O-N 2.02Å; P10-T12 VanDerWaalsContact O-N 3.11Å; T12-V14 PolarHBondContact O-N 3.38Å; T12-V14 VanDerWaalsContact O-N 3.11Å
13	V	72.6	Confident	62	Low	119 Å²	119	137.7 Å²	137.7	72%	0.721	79%	0.793	S	S	*	*			trans	-67.7	106.3	170.5	-92.6	0	0	0	0	108.5	T11 L15	T11-V13 PolarHBondContact O-N 3.48Å; V13-L15 PolarHBondContact O-N 3.11Å
14	V	66.6	Low	62.2	Low	131 Å²	131	134 Å²	134	79%	0.794	78%	0.783	S	S	*	*			trans	-65.2	103.4	167.5	178.6	0	0	0	0	106.6	T12 Q16	T12-V14 PolarHBondContact O-N 3.38Å; T12-V14 VanDerWaalsContact O-N 3.11Å; V14-Q16 PolarHBondContact O-N 3.36Å
15	L	73.1	Confident	61.6	Low	152 Å²	152	137 Å²	137	80%	0.796	79%	0.789	S	S	*	*			trans	-65.6	90.3	168.5	-71.2	169.7	0	0	0	107.3	V13 Q17	V13-L15 PolarHBondContact O-N 3.11Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.16Å
16	Q	68.1	Low	61.6	Low	183 Å²	183	130.9 Å²	130.9	86%	0.855	78%	0.781	S	S	*	*			trans	-65.1	95.5	166	-164.1	169.7	-9.5	0	0	106.5	V14	V14-Q16 PolarHBondContact O-N 3.36Å
17	Q	64.8	Low	61.2	Low	168 Å²	168	135.9 Å²	135.9	79%	0.785	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.7	177	-70.2	178.3	-48.5	0	0	108.1	L15 M19	L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.16Å; Q17-M19 PolarHBondContact O-N 3Å
18	P	61.1	Low	61.6	Low	127 Å²	127	134.4 Å²	134.4	83%	0.825	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-60.4	127.5	176	16.8	-22.5	0	0	0	109.1	A20	P18-A20 PolarHBondContact O-N 3.04Å
19	M	61	Low	63.3	Low	170 Å²	170	138.7 Å²	138.7	84%	0.837	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53.7	129.6	177.1	-58.9	-174.3	-61.2	0	0	109	Q17 V21	Q17-M19 PolarHBondContact O-N 3Å; M19-V21 PolarHBondContact O-N 3.2Å
20	A	59.9	Low	64.9	Low	94 Å²	94	132.9 Å²	132.9	78%	0.777	75%	0.754	S	S	*	*			trans	-55.9	109.4	168.2	0	0	0	0	0	107.6	P18 M22	P18-A20 PolarHBondContact O-N 3.04Å; A20-M22 PolarHBondContact O-N 3.11Å
21	V	62.7	Low	66.6	Low	136 Å²	136	130.3 Å²	130.3	82%	0.824	73%	0.729	S	S	*	*			trans	-60.2	107.1	175.7	-177.9	0	0	0	0	106.1	M19	M19-V21 PolarHBondContact O-N 3.2Å
22	M	55.4	Low	67.8	Low	146 Å²	146	129.6 Å²	129.6	72%	0.719	72%	0.717	S	S	*	*			trans	-54.5	139.4	169.4	-57.1	179.3	84.6	0	0	106.8	A20 T24	A20-M22 PolarHBondContact O-N 3.11Å; M22-T24 HydrophobicContact CB-CG2 4.38Å; M22-T24 PolarHBondContact O-N 2.06Å
23	P	51.9	Low	68.9	Low	133 Å²	133	125.3 Å²	125.3	86%	0.864	69%	0.687	S	S	*	*			trans	-71.1	71.2	169.1	30.2	-31.3	0	0	0	107.6	Q25	P23-Q25 PolarHBondContact O-N 3.21Å
24	T	54.5	Low	70	Confident	100 Å²	100	121.9 Å²	121.9	61%	0.613	67%	0.668	S	S	*	*			trans	-57	132.7	160.2	53.1	0	0	0	0	105	M22 G26	M22-T24 HydrophobicContact CB-CG2 4.38Å; M22-T24 PolarHBondContact O-N 2.06Å; T24-G26 WeakPolarHBondContact O-CA 3.15Å; T24-G26 PolarHBondContact O-N 3.02Å
25	Q	54.1	Low	71.5	Confident	188 Å²	188	116.5 Å²	116.5	88%	0.879	64%	0.636	S	S	*	*	S	Bend	trans	-48.1	108.3	-175.6	-59.3	-153.3	-8.8	0	0	108.7	P23 Y27	P23-Q25 PolarHBondContact O-N 3.21Å; Q25-Y27 PolarHBondContact O-N 3.19Å
26	G	54	Low	72.5	Confident	65 Å²	65	111 Å²	111	67%	0.67	62%	0.617	S	S	*	*			trans	-64.8	112.3	-146.9	0	0	0	0	0	110.6	T24 S28	T24-G26 WeakPolarHBondContact O-CA 3.15Å; T24-G26 PolarHBondContact O-N 3.02Å; G26-S28 PolarHBondContact O-N 3.38Å
27	Y	57.3	Low	73.8	Confident	219 Å²	219	104.5 Å²	104.5	86%	0.859	59%	0.587	S	S	*	*			trans	-58.2	99.4	148	-78.8	-92	0	0	0	104.7	Q25 L29	Q25-Y27 PolarHBondContact O-N 3.19Å; Y27-L29 PolarHBondContact O-N 3.03Å
28	S	66.6	Low	75.2	Confident	79 Å²	79	100.8 Å²	100.8	55%	0.552	58%	0.579	S	S	*	*			trans	-55.8	122	172.6	-167	0	0	0	0	105.7	G26 T30	G26-S28 PolarHBondContact O-N 3.38Å; S28-T30 PolarHBondContact O-N 3.49Å; S28-T30 PolarHBondContact OG-N 3.48Å; S28-T30 PolarHBondContact OG-OG1 3.29Å
29	L	85.4	Confident	76.8	Confident	167 Å²	167	96.5 Å²	96.5	87%	0.874	55%	0.552	S	S	*	*	S	Bend	trans	-64.8	-1.8	173.7	-65.4	178	0	0	0	111.5	Y27	Y27-L29 PolarHBondContact O-N 3.03Å
30	T	90.9	Very high	78.1	Confident	49 Å²	49	89.9 Å²	89.9	30%	0.301	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-96.7	143.6	175.3	68.4	0	0	0	0	111.6	S28 N90	S28-T30 PolarHBondContact O-N 3.49Å; S28-T30 PolarHBondContact OG-N 3.48Å; S28-T30 PolarHBondContact OG-OG1 3.29Å; T30-N90 CarbonylContact C-O 3.38Å; T30-N90 WeakPolarHBondContact CA-O 3.27Å; T30-N90 VanDerWaalsContact CB-O 3.31Å; T30-N90 WeakPolarHBondContact CB-O 3.35Å
31	R	94.6	Very high	79.6	Confident	57 Å²	57	94 Å²	94	22%	0.215	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-95.8	169.4	166.5	67.6	165.9	-175.8	100.3	-12	111.3	H89 N90 I91 N92 D116 M120	R31-H89 PolarHBondContact NE-O 3.03Å; R31-N90 PolarHBondContact N-O 2.73Å; R31-I91 HydrophobicContact CG-CG1 4.15Å; R31-I91 VanDerWaalsContact CZ-CG1 3.4Å; R31-I91 VanDerWaalsContact NH2-CD1 3.26Å; R31-I91 CarbonylContact O-C 3.42Å; R31-I91 VanDerWaalsContact O-CA 3.25Å; R31-I91 WeakPolarHBondContact O-CA 3.27Å; R31-N92 PolarHBondContact O-N 3.03Å; R31-D116 IonicContact CZ-OD1 3.68Å; R31-D116 IonicContact CZ-OD2 3.51Å; R31-D116 IonicContact NH1-OD1 2.86Å; R31-D116 PolarHBondContact NH1-OD1 2.94Å; R31-D116 IonicContact NH1-OD2 3.44Å; R31-D116 PolarHBondContact NH1-OD2 3.46Å; R31-D116 IonicContact NH2-OD1 3.57Å; R31-D116 IonicContact NH2-OD2 2.67Å; R31-D116 PolarHBondContact NH2-OD2 3.39Å; R31-M120 PolarHBondContact NH2-SD 2.79Å; R31-M120 VanDerWaalsContact NH2-SD 3.38Å
32	E	95.9	Very high	81	Confident	115 Å²	115	93 Å²	93	54%	0.537	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-91.2	167.4	167.7	-65.1	-58.5	145	0	0	111.2	N92	E32-N92 WeakPolarHBondContact OE1-CB 3.1Å; E32-N92 PolarHBondContact OE1-ND2 2.92Å
33	W	97	Very high	82.7	Confident	33 Å²	33	86.9 Å²	86.9	13%	0.125	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-57.5	142.4	167	-67.7	94.3	0	0	0	109.8	S35 R82 H85 R86 I91 Q112 L113 D116	W33-S35 PolarHBondContact O-N 2.91Å; W33-R82 HydrophobicContact CH2-CG 3.73Å; W33-R82 HydrophobicContact CZ2-CG 3.76Å; W33-H85 AromaticContact CZ3-CD2 3.77Å; W33-R86 HydrophobicContact CH2-CB 4.48Å; W33-R86 HydrophobicContact CZ2-CB 4.17Å; W33-R86 HydrophobicContact CZ2-CG 4.31Å; W33-I91 HydrophobicContact CD2-CD1 4.09Å; W33-I91 HydrophobicContact CD2-CG2 3.92Å; W33-I91 HydrophobicContact CE3-CD1 3.81Å; W33-I91 HydrophobicContact CG-CG2 3.86Å; W33-I91 HydrophobicContact CH2-CD1 4.08Å; W33-I91 HydrophobicContact CZ2-CD1 4.35Å; W33-I91 HydrophobicContact CZ2-CG2 4.44Å; W33-I91 HydrophobicContact CZ3-CD1 3.8Å; W33-Q112 HydrophobicContact CE3-CG 4.41Å; W33-L113 HydrophobicContact CH2-CD1 4.2Å; W33-L113 HydrophobicContact CZ3-CD1 4.04Å; W33-D116 HydrophobicContact CE3-CB 3.85Å; W33-D116 HydrophobicContact CZ3-CB 4.08Å
34	S	96	Very high	84.6	Confident	48 Å²	48	83.3 Å²	83.3	34%	0.336	46%	0.461	S	S	.	.	S	Bend	trans	-63.4	-23	179.7	51.4	0	0	0	0	114.4	D116	S34-D116 VanDerWaalsContact CB-OD1 3.3Å; S34-D116 WeakPolarHBondContact CB-OD1 3.29Å; S34-D116 PolarHBondContact N-OD1 2.93Å; S34-D116 VanDerWaalsContact OG-CA 3.25Å; S34-D116 WeakPolarHBondContact OG-CA 3.25Å; S34-D116 WeakPolarHBondContact OG-CB 3.09Å; S34-D116 PolarHBondContact OG-OD1 3.32Å
35	S	96.4	Very high	86.4	Confident	17 Å²	17	85.3 Å²	85.3	12%	0.119	46%	0.463	C	S	.	.	S	Bend	trans	-147.1	161	177.8	60.5	0	0	0	0	110.9	W33 Q112 R115	W33-S35 PolarHBondContact O-N 2.91Å; S35-Q112 PolarHBondContact O-NE2 3.21Å; S35-R115 PolarHBondContact OG-NE 3.47Å
36	G	95.8	Very high	88.2	Confident	37 Å²	37	76.6 Å²	76.6	38%	0.381	42%	0.423	S	S	.	.			trans	-70.7	165.6	172.4	0	0	0	0	0	112.6	C38 S39 R115	G36-C38 PolarHBondContact O-N 3.4Å; G36-S39 PolarHBondContact N-OG 3.25Å; G36-S39 WeakPolarHBondContact O-CB 3.18Å; G36-S39 PolarHBondContact O-N 2.91Å; G36-R115 PolarHBondContact O-NH2 3.05Å
37	I	95.6	Very high	90.1	Very high	46 Å²	46	74.5 Å²	74.5	24%	0.236	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-41.8	178.6	-169.7	64.6	0	0	0	111.8	S39 V101 L108 A109 Q112 R115	I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.98Å; I37-V101 HydrophobicContact CD1-CG1 3.43Å; I37-V101 VanDerWaalsContact CD1-CG1 3.43Å; I37-V101 HydrophobicContact CG1-CG1 4.01Å; I37-L108 HydrophobicContact CD1-CB 3.85Å; I37-L108 WeakPolarHBondContact CD1-O 3.42Å; I37-L108 HydrophobicContact CG1-CB 3.78Å; I37-A109 HydrophobicContact CD1-CB 4.08Å; I37-A109 VanDerWaalsContact CD1-N 3.34Å; I37-Q112 HydrophobicContact CD1-CB 4.01Å; I37-R115 PolarHBondContact O-NH2 3.48Å
38	C	93.9	Very high	91.9	Very high	91 Å²	91	68.8 Å²	68.8	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	6.5	-178.1	-63.2	0	0	0	0	114.3	G36 C40	G36-C38 PolarHBondContact O-N 3.4Å; C38-C40 PolarHBondContact O-N 3.26Å; C38-C40 PolarHBondContact O-SG 3.03Å
39	S	94	Very high	93.2	Very high	36 Å²	36	67.6 Å²	67.6	25%	0.252	37%	0.372	S	S	.	.			trans	-73.1	48.1	178	-62.7	0	0	0	0	112.7	G36 I37 F41 D42 R115	G36-S39 PolarHBondContact N-OG 3.25Å; G36-S39 WeakPolarHBondContact O-CB 3.18Å; G36-S39 PolarHBondContact O-N 2.91Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.98Å; S39-F41 PolarHBondContact O-N 3.07Å; S39-D42 VanDerWaalsContact CB-OD2 3.31Å; S39-D42 WeakPolarHBondContact CB-OD2 3.46Å; S39-D42 PolarHBondContact O-N 3.06Å; S39-R115 PolarHBondContact O-NE 3.33Å; S39-R115 PolarHBondContact O-NH1 3.15Å
40	C	89.1	Confident	93.6	Very high	32 Å²	32	59.6 Å²	59.6	22%	0.216	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-63.9	-29.3	-170.9	-51.3	0	0	0	0	112.9	C38 D42 D43 C44 C47 L108	C38-C40 PolarHBondContact O-N 3.26Å; C38-C40 PolarHBondContact O-SG 3.03Å; C40-D42 VanDerWaalsContact C-N 3.3Å; C40-D42 PolarHBondContact O-N 3.16Å; C40-D43 CarbonylContact O-C 3.5Å; C40-D43 PolarHBondContact O-N 2.61Å; C40-C44 PolarHBondContact O-N 3.01Å; C40-C47 VanDerWaalsContact CA-SG 3.5Å; C40-C47 HydrophobicContact CB-CB 4.26Å; C40-C47 PolarHBondContact O-SG 2.84Å; C40-L108 WeakPolarHBondContact SG-CD2 3.46Å
41	F	90.9	Very high	93.6	Very high	180 Å²	180	59.7 Å²	59.7	79%	0.789	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-78.2	-14.1	-176.9	-62.6	-76.3	0	0	0	113.9	S39 D43	S39-F41 PolarHBondContact O-N 3.07Å; F41-D43 PolarHBondContact O-N 3.39Å
42	D	91.1	Very high	93.6	Very high	116 Å²	116	65.4 Å²	65.4	62%	0.62	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-71.6	-20.9	175.4	-63.4	-7.5	0	0	0	111.6	S39 C40	S39-D42 VanDerWaalsContact CB-OD2 3.31Å; S39-D42 WeakPolarHBondContact CB-OD2 3.46Å; S39-D42 PolarHBondContact O-N 3.06Å; C40-D42 VanDerWaalsContact C-N 3.3Å; C40-D42 PolarHBondContact O-N 3.16Å
43	D	91.2	Very high	93.5	Very high	17 Å²	17	62.1 Å²	62.1	9%	0.091	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-151.4	65.3	177.5	-167.5	-0	0	0	0	110.4	C40 F41 E45 S46 C47 R115 K118	C40-D43 CarbonylContact O-C 3.5Å; C40-D43 PolarHBondContact O-N 2.61Å; F41-D43 PolarHBondContact O-N 3.39Å; D43-E45 PolarHBondContact O-N 3.46Å; D43-S46 PolarHBondContact O-N 3.31Å; D43-S46 WeakPolarHBondContact OD1-CB 3.21Å; D43-S46 PolarHBondContact OD1-N 2.96Å; D43-S46 PolarHBondContact OD1-OG 2.63Å; D43-S46 WeakPolarHBondContact OD2-CB 3.48Å; D43-S46 PolarHBondContact OD2-OG 3.23Å; D43-C47 PolarHBondContact O-N 3.49Å; D43-C47 PolarHBondContact O-SG 2.83Å; D43-C47 VanDerWaalsContact O-SG 3.36Å; D43-R115 HydrophobicContact CB-CG 3.52Å; D43-K118 IonicContact OD1-NZ 2.73Å; D43-K118 PolarHBondContact OD1-NZ 3.11Å; D43-K118 VanDerWaalsContact OD2-CE 3.31Å; D43-K118 WeakPolarHBondContact OD2-CE 3.47Å; D43-K118 IonicContact OD2-NZ 3.85Å; D43-K118 PolarHBondContact OD2-NZ 2.91Å
44	C	92.8	Very high	93.4	Very high	58 Å²	58	63 Å²	63	39%	0.392	36%	0.361	S	S	.	.	H	α-helix	trans	-52.5	-40.7	-177.3	-73	0	0	0	0	112.5	C40 C47 L48	C40-C44 PolarHBondContact O-N 3.01Å; C44-C47 PolarHBondContact O-N 3.44Å; C44-L48 WeakPolarHBondContact O-CB 3.39Å; C44-L48 WeakPolarHBondContact O-CG 3.45Å; C44-L48 PolarHBondContact O-N 3.22Å
45	E	92.2	Very high	93.3	Very high	142 Å²	142	64.5 Å²	64.5	66%	0.664	37%	0.37	S	S	*	.	H	α-helix	trans	-59.6	-53.7	-179.1	-174.6	-168.2	153.9	0	0	111.1	D43 C47 L48 C49	D43-E45 PolarHBondContact O-N 3.46Å; E45-C47 VanDerWaalsContact C-N 3.25Å; E45-C47 PolarHBondContact O-N 2.94Å; E45-L48 PolarHBondContact O-N 3.37Å; E45-C49 WeakPolarHBondContact O-CB 3.45Å; E45-C49 PolarHBondContact O-N 3.43Å; E45-C49 PolarHBondContact O-SG 3.08Å
46	S	92	Very high	93.2	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.028	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-39.4	176.3	-64.2	0	0	0	0	111.9	D43 C49 A50 Y57 K118	D43-S46 PolarHBondContact O-N 3.31Å; D43-S46 WeakPolarHBondContact OD1-CB 3.21Å; D43-S46 PolarHBondContact OD1-N 2.96Å; D43-S46 PolarHBondContact OD1-OG 2.63Å; D43-S46 WeakPolarHBondContact OD2-CB 3.48Å; D43-S46 PolarHBondContact OD2-OG 3.23Å; S46-C49 PolarHBondContact O-N 3.35Å; S46-A50 WeakPolarHBondContact O-CB 3.27Å; S46-A50 PolarHBondContact O-N 3.34Å; S46-Y57 WeakPolarHBondContact CA-OH 3.37Å; S46-Y57 WeakPolarHBondContact CB-OH 3.07Å; S46-Y57 WeakPolarHBondContact O-CE1 3.49Å; S46-Y57 PolarHBondContact OG-OH 3.45Å; S46-K118 PolarHBondContact OG-NZ 2.68Å
47	C	93.9	Very high	93.3	Very high	21 Å²	21	66.5 Å²	66.5	14%	0.142	38%	0.375	C	S	.	.	H	α-helix	trans	-67	-42.4	178.6	-68.3	0	0	0	0	114.1	C40 D43 C44 E45 A50 G51 C111 R115	C40-C47 VanDerWaalsContact CA-SG 3.5Å; C40-C47 HydrophobicContact CB-CB 4.26Å; C40-C47 PolarHBondContact O-SG 2.84Å; D43-C47 PolarHBondContact O-N 3.49Å; D43-C47 PolarHBondContact O-SG 2.83Å; D43-C47 VanDerWaalsContact O-SG 3.36Å; C44-C47 PolarHBondContact O-N 3.44Å; E45-C47 VanDerWaalsContact C-N 3.25Å; E45-C47 PolarHBondContact O-N 2.94Å; C47-A50 PolarHBondContact O-N 3.41Å; C47-G51 PolarHBondContact O-N 2.9Å; C47-C111 WeakPolarHBondContact CA-SG 3.41Å; C47-C111 WeakPolarHBondContact SG-CB 3.25Å; C47-C111 PolarHBondContact SG-SG 3.28Å; C47-R115 PolarHBondContact SG-NH1 2.89Å
48	L	94.4	Very high	93.4	Very high	100 Å²	100	64.5 Å²	64.5	52%	0.524	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-42.1	175.3	-67.1	171.6	0	0	0	110.3	C44 E45 A50 G51 F52	C44-L48 WeakPolarHBondContact O-CB 3.39Å; C44-L48 WeakPolarHBondContact O-CG 3.45Å; C44-L48 PolarHBondContact O-N 3.22Å; E45-L48 PolarHBondContact O-N 3.37Å; L48-A50 PolarHBondContact O-N 3.3Å; L48-G51 PolarHBondContact O-N 3.14Å; L48-G51 VanDerWaalsContact O-N 3.13Å; L48-F52 HydrophobicContact CB-CD2 3.99Å; L48-F52 HydrophobicContact CB-CE2 4.02Å; L48-F52 HydrophobicContact CD2-CE2 3.82Å; L48-F52 HydrophobicContact CG-CE2 4.41Å; L48-F52 WeakPolarHBondContact O-CB 3.39Å; L48-F52 WeakPolarHBondContact O-CD2 3.37Å; L48-F52 PolarHBondContact O-N 2.94Å
49	C	93.3	Very high	93.5	Very high	53 Å²	53	61.5 Å²	61.5	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-44.5	174.7	-72.3	0	0	0	0	112.3	E45 S46 G51 C53 Y57	E45-C49 WeakPolarHBondContact O-CB 3.45Å; E45-C49 PolarHBondContact O-N 3.43Å; E45-C49 PolarHBondContact O-SG 3.08Å; S46-C49 PolarHBondContact O-N 3.35Å; C49-G51 VanDerWaalsContact C-N 3.29Å; C49-G51 PolarHBondContact O-N 3.24Å; C49-C53 CarbonylContact O-C 3.39Å; C49-C53 PolarHBondContact O-N 2.92Å; C49-Y57 HydrophobicContact CB-CD1 4.37Å; C49-Y57 HydrophobicContact CB-CD2 3.42Å; C49-Y57 VanDerWaalsContact CB-CD2 3.42Å; C49-Y57 HydrophobicContact CB-CE2 3.71Å; C49-Y57 HydrophobicContact CB-CG 3.79Å
50	A	93.5	Very high	93.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-33.5	174.7	0	0	0	0	0	112.7	S46 C47 L48 F54 Y57 Q107 L110 C111	S46-A50 WeakPolarHBondContact O-CB 3.27Å; S46-A50 PolarHBondContact O-N 3.34Å; C47-A50 PolarHBondContact O-N 3.41Å; L48-A50 PolarHBondContact O-N 3.3Å; A50-F54 WeakPolarHBondContact O-CA 3.32Å; A50-F54 WeakPolarHBondContact O-CB 3.37Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-Y57 HydrophobicContact CB-CD1 3.69Å; A50-Y57 HydrophobicContact CB-CE1 4.11Å; A50-Q107 HydrophobicContact CB-CB 4.48Å; A50-L110 HydrophobicContact CB-CD2 4.31Å; A50-C111 WeakPolarHBondContact CB-SG 3.49Å
51	G	92.3	Very high	94	Very high	50 Å²	50	62.6 Å²	62.6	52%	0.515	34%	0.342	S	S	.	.	H	α-helix	trans	-76.4	-44	177.4	0	0	0	0	0	114.1	C47 L48 C49	C47-G51 PolarHBondContact O-N 2.9Å; L48-G51 PolarHBondContact O-N 3.14Å; L48-G51 VanDerWaalsContact O-N 3.13Å; C49-G51 VanDerWaalsContact C-N 3.29Å; C49-G51 PolarHBondContact O-N 3.24Å
52	F	94.5	Very high	94.3	Very high	177 Å²	177	54.3 Å²	54.3	78%	0.776	31%	0.305	S	S	*	.	H	α-helix	trans	-84.7	-41.4	-172.9	-73.5	-63.7	0	0	0	114.2	L48	L48-F52 HydrophobicContact CB-CD2 3.99Å; L48-F52 HydrophobicContact CB-CE2 4.02Å; L48-F52 HydrophobicContact CD2-CE2 3.82Å; L48-F52 HydrophobicContact CG-CE2 4.41Å; L48-F52 WeakPolarHBondContact O-CB 3.39Å; L48-F52 WeakPolarHBondContact O-CD2 3.37Å; L48-F52 PolarHBondContact O-N 2.94Å
53	C	94.2	Very high	94.6	Very high	46 Å²	46	53.6 Å²	53.6	31%	0.311	30%	0.302	S	S	.	.			trans	-134.1	75	169.5	-169	0	0	0	0	110.9	C49 C56 Y57	C49-C53 CarbonylContact O-C 3.39Å; C49-C53 PolarHBondContact O-N 2.92Å; C53-C56 HydrophobicContact CB-CB 3.76Å; C53-C56 WeakPolarHBondContact CB-SG 3.43Å; C53-C56 PolarHBondContact O-N 2.99Å; C53-C56 WeakPolarHBondContact SG-CB 3.48Å; C53-C56 PolarHBondContact SG-N 3.34Å; C53-C56 VanDerWaalsContact SG-N 3.44Å; C53-C56 CovalentContact SG-SG 2.06Å; C53-C56 PolarHBondContact SG-SG 2.81Å; C53-Y57 WeakPolarHBondContact O-CB 3.41Å; C53-Y57 PolarHBondContact O-N 3.44Å
54	F	94.3	Very high	94.8	Very high	51 Å²	51	54.3 Å²	54.3	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-48.7	-50.7	176.4	-174.7	-103.7	0	0	0	114.5	A50 C56 Y57 L58 V78 P106 Q107 L110	A50-F54 WeakPolarHBondContact O-CA 3.32Å; A50-F54 WeakPolarHBondContact O-CB 3.37Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; F54-C56 PolarHBondContact O-N 2.87Å; F54-Y57 PolarHBondContact O-N 3.13Å; F54-L58 HydrophobicContact CE1-CD2 3.94Å; F54-L58 HydrophobicContact CZ-CD2 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 3.31Å; F54-V78 HydrophobicContact CE2-CG2 4.12Å; F54-V78 HydrophobicContact CZ-CG2 3.71Å; F54-P106 HydrophobicContact CE2-CB 4.1Å; F54-P106 HydrophobicContact CZ-CB 3.75Å; F54-Q107 HydrophobicContact CD2-CB 4.49Å; F54-Q107 HydrophobicContact CD2-CG 3.85Å; F54-Q107 HydrophobicContact CE2-CG 4.34Å; F54-L110 HydrophobicContact CD2-CD2 3.94Å; F54-L110 HydrophobicContact CE2-CB 4.18Å; F54-L110 HydrophobicContact CE2-CD2 3.65Å; F54-L110 HydrophobicContact CZ-CD2 4.44Å
55	P	93.7	Very high	95	Very high	80 Å²	80	52.6 Å²	52.6	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-38.1	-178.8	24.9	-33.9	0	0	0	113.1	C59	P55-C59 PolarHBondContact O-N 2.92Å
56	C	94.6	Very high	95.1	Very high	76 Å²	76	52.7 Å²	52.7	51%	0.514	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-48.8	176.1	-48.8	0	0	0	0	110.5	C53 F54 C59 H60	C53-C56 HydrophobicContact CB-CB 3.76Å; C53-C56 WeakPolarHBondContact CB-SG 3.43Å; C53-C56 PolarHBondContact O-N 2.99Å; C53-C56 WeakPolarHBondContact SG-CB 3.48Å; C53-C56 PolarHBondContact SG-N 3.34Å; C53-C56 VanDerWaalsContact SG-N 3.44Å; C53-C56 CovalentContact SG-SG 2.06Å; C53-C56 PolarHBondContact SG-SG 2.81Å; F54-C56 PolarHBondContact O-N 2.87Å; C56-C59 WeakPolarHBondContact O-CB 3.4Å; C56-C59 PolarHBondContact O-N 2.88Å; C56-H60 PolarHBondContact O-N 3.47Å
57	Y	97.1	Very high	95.4	Very high	21 Å²	21	55.9 Å²	55.9	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-36.5	-176	-167.1	-113.6	0	0	0	111.6	S46 C49 A50 C53 F54 H60 V61 L110 R114	S46-Y57 WeakPolarHBondContact CA-OH 3.37Å; S46-Y57 WeakPolarHBondContact CB-OH 3.07Å; S46-Y57 WeakPolarHBondContact O-CE1 3.49Å; S46-Y57 PolarHBondContact OG-OH 3.45Å; C49-Y57 HydrophobicContact CB-CD1 4.37Å; C49-Y57 HydrophobicContact CB-CD2 3.42Å; C49-Y57 VanDerWaalsContact CB-CD2 3.42Å; C49-Y57 HydrophobicContact CB-CE2 3.71Å; C49-Y57 HydrophobicContact CB-CG 3.79Å; A50-Y57 HydrophobicContact CB-CD1 3.69Å; A50-Y57 HydrophobicContact CB-CE1 4.11Å; C53-Y57 WeakPolarHBondContact O-CB 3.41Å; C53-Y57 PolarHBondContact O-N 3.44Å; F54-Y57 PolarHBondContact O-N 3.13Å; Y57-H60 AromaticContact CE2-CD2 3.94Å; Y57-H60 WeakPolarHBondContact O-CB 3.21Å; Y57-H60 PolarHBondContact O-N 3.07Å; Y57-V61 HydrophobicContact CD1-CG2 4.29Å; Y57-V61 HydrophobicContact CE1-CG2 3.94Å; Y57-V61 WeakPolarHBondContact O-CG2 3.25Å; Y57-V61 PolarHBondContact O-N 3.45Å; Y57-L110 HydrophobicContact CD1-CD2 3.61Å; Y57-L110 HydrophobicContact CD1-CG 3.97Å; Y57-L110 HydrophobicContact CE1-CD2 4.31Å; Y57-L110 HydrophobicContact CE1-CG 4.17Å; Y57-R114 VanDerWaalsContact OH-CG 3.24Å; Y57-R114 WeakPolarHBondContact OH-CG 3.43Å
58	L	97.5	Very high	95.4	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.3	172.3	-174.8	57.7	0	0	0	111.2	F54 H60 V61 Y62 P72 V78 L110	F54-L58 HydrophobicContact CE1-CD2 3.94Å; F54-L58 HydrophobicContact CZ-CD2 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 3.31Å; L58-H60 VanDerWaalsContact C-N 3.29Å; L58-H60 PolarHBondContact O-N 2.97Å; L58-V61 PolarHBondContact O-N 2.91Å; L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.62Å; L58-Y62 HydrophobicContact CD2-CE2 4.2Å; L58-Y62 HydrophobicContact CG-CD2 3.81Å; L58-Y62 HydrophobicContact CG-CE2 3.72Å; L58-Y62 VanDerWaalsContact O-CD2 3.27Å; L58-Y62 WeakPolarHBondContact O-CD2 3.37Å; L58-Y62 PolarHBondContact O-N 3.34Å; L58-P72 HydrophobicContact CB-CG 4.16Å; L58-P72 HydrophobicContact CD2-CB 3.98Å; L58-P72 HydrophobicContact CD2-CG 3.84Å; L58-P72 HydrophobicContact CG-CB 4.3Å; L58-P72 HydrophobicContact CG-CG 3.68Å; L58-V78 HydrophobicContact CD1-CG2 3.94Å; L58-L110 HydrophobicContact CB-CD2 3.97Å; L58-L110 HydrophobicContact CD1-CD1 3.63Å; L58-L110 HydrophobicContact CD1-CD2 4.08Å; L58-L110 HydrophobicContact CD1-CG 4.48Å
59	C	97.1	Very high	95.4	Very high	28 Å²	28	54.2 Å²	54.2	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-54.6	-45.4	171.9	146	0	0	0	0	111.7	P55 C56 V61 Y62 N63 C69	P55-C59 PolarHBondContact O-N 2.92Å; C56-C59 WeakPolarHBondContact O-CB 3.4Å; C56-C59 PolarHBondContact O-N 2.88Å; C59-V61 PolarHBondContact O-N 2.63Å; C59-Y62 PolarHBondContact O-N 2.74Å; C59-N63 PolarHBondContact O-N 3.15Å; C59-C69 HydrophobicContact CB-CB 4.04Å; C59-C69 WeakPolarHBondContact CB-O 3.37Å; C59-C69 WeakPolarHBondContact CB-SG 3Å; C59-C69 WeakPolarHBondContact SG-CB 3.44Å; C59-C69 CovalentContact SG-SG 2.02Å; C59-C69 PolarHBondContact SG-SG 3.15Å
60	H	96.2	Very high	95.4	Very high	91 Å²	91	58.8 Å²	58.8	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-45	178.4	174.9	68.6	0	0	0	112	C56 Y57 L58 N63 I64	C56-H60 PolarHBondContact O-N 3.47Å; Y57-H60 AromaticContact CE2-CD2 3.94Å; Y57-H60 WeakPolarHBondContact O-CB 3.21Å; Y57-H60 PolarHBondContact O-N 3.07Å; L58-H60 VanDerWaalsContact C-N 3.29Å; L58-H60 PolarHBondContact O-N 2.97Å; H60-N63 WeakPolarHBondContact O-CB 3.02Å; H60-N63 PolarHBondContact O-N 3.42Å; H60-I64 VanDerWaalsContact NE2-CD1 3.34Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.47Å; H60-I64 WeakPolarHBondContact O-CG1 3.3Å; H60-I64 PolarHBondContact O-N 2.91Å
61	V	97.5	Very high	95.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-35.5	178.1	-179.6	0	0	0	0	112.1	Y57 L58 C59 I64 S65 L81 L110 L113 M117	Y57-V61 HydrophobicContact CD1-CG2 4.29Å; Y57-V61 HydrophobicContact CE1-CG2 3.94Å; Y57-V61 WeakPolarHBondContact O-CG2 3.25Å; Y57-V61 PolarHBondContact O-N 3.45Å; L58-V61 PolarHBondContact O-N 2.91Å; C59-V61 PolarHBondContact O-N 2.63Å; V61-I64 PolarHBondContact O-N 2.91Å; V61-S65 WeakPolarHBondContact O-CB 3.13Å; V61-S65 PolarHBondContact O-N 3.35Å; V61-S65 PolarHBondContact O-OG 3.23Å; V61-L81 HydrophobicContact CG1-CD2 3.79Å; V61-L110 HydrophobicContact CB-CD1 3.84Å; V61-L110 HydrophobicContact CG1-CD1 3.88Å; V61-L110 HydrophobicContact CG2-CD1 3.81Å; V61-L110 HydrophobicContact CG2-CG 4.4Å; V61-L113 HydrophobicContact CG1-CD2 4.4Å; V61-M117 HydrophobicContact CG1-CE 3.96Å; V61-M117 HydrophobicContact CG1-SD 3.73Å
62	Y	97.6	Very high	95.5	Very high	5 Å²	5	59 Å²	59	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-44.7	169.7	-91.2	-75.3	0	0	0	111.4	L58 C59 I64 S65 N66 E67 L71 P72 I76 G77 P80 L81	L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.62Å; L58-Y62 HydrophobicContact CD2-CE2 4.2Å; L58-Y62 HydrophobicContact CG-CD2 3.81Å; L58-Y62 HydrophobicContact CG-CE2 3.72Å; L58-Y62 VanDerWaalsContact O-CD2 3.27Å; L58-Y62 WeakPolarHBondContact O-CD2 3.37Å; L58-Y62 PolarHBondContact O-N 3.34Å; C59-Y62 PolarHBondContact O-N 2.74Å; Y62-I64 PolarHBondContact O-N 2.92Å; Y62-S65 CarbonylContact O-C 3.54Å; Y62-S65 WeakPolarHBondContact O-CA 3.43Å; Y62-S65 WeakPolarHBondContact O-CB 3.44Å; Y62-S65 PolarHBondContact O-N 3.05Å; Y62-N66 PolarHBondContact O-N 3.47Å; Y62-E67 CarbonylContact C-O 3.56Å; Y62-E67 HydrophobicContact CD1-CB 3.56Å; Y62-E67 HydrophobicContact CD1-CG 4.13Å; Y62-E67 HydrophobicContact CE1-CB 4.43Å; Y62-E67 HydrophobicContact CG-CB 4.4Å; Y62-E67 WeakPolarHBondContact O-CB 3.32Å; Y62-E67 PolarHBondContact O-N 2.93Å; Y62-L71 HydrophobicContact CD1-CB 4.49Å; Y62-L71 HydrophobicContact CD1-CD1 3.61Å; Y62-L71 HydrophobicContact CE1-CB 4.34Å; Y62-L71 HydrophobicContact CE1-CD1 3.61Å; Y62-L71 HydrophobicContact CG-CD1 4.43Å; Y62-P72 HydrophobicContact CD2-CG 3.81Å; Y62-P72 HydrophobicContact CE2-CG 4.03Å; Y62-I76 VanDerWaalsContact OH-CG2 3.25Å; Y62-I76 WeakPolarHBondContact OH-CG2 3.5Å; Y62-G77 PolarHBondContact OH-O 3.36Å; Y62-P80 WeakPolarHBondContact OH-CG 3.16Å; Y62-L81 HydrophobicContact CD1-CD1 4.01Å; Y62-L81 HydrophobicContact CD1-CD2 4.13Å; Y62-L81 HydrophobicContact CD2-CD2 4.32Å; Y62-L81 HydrophobicContact CE1-CB 4.2Å; Y62-L81 HydrophobicContact CE1-CD1 3.95Å; Y62-L81 HydrophobicContact CE1-CD2 4.25Å; Y62-L81 HydrophobicContact CE1-CG 4.38Å; Y62-L81 HydrophobicContact CE2-CD2 4.41Å; Y62-L81 HydrophobicContact CG-CD2 4.17Å
63	N	96.6	Very high	95.3	Very high	102 Å²	102	57.8 Å²	57.8	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-44.4	178.8	-174.6	-103.5	0	0	0	112.4	C59 H60 S65 N66	C59-N63 PolarHBondContact O-N 3.15Å; H60-N63 WeakPolarHBondContact O-CB 3.02Å; H60-N63 PolarHBondContact O-N 3.42Å; N63-S65 PolarHBondContact O-N 3.26Å; N63-N66 WeakPolarHBondContact O-CA 3.5Å; N63-N66 PolarHBondContact O-N 2.9Å
64	I	96.1	Very high	95.3	Very high	32 Å²	32	61.8 Å²	61.8	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-36.9	172.5	-67.2	166.3	0	0	0	110.9	H60 V61 Y62 N66 F122	H60-I64 VanDerWaalsContact NE2-CD1 3.34Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.47Å; H60-I64 WeakPolarHBondContact O-CG1 3.3Å; H60-I64 PolarHBondContact O-N 2.91Å; V61-I64 PolarHBondContact O-N 2.91Å; Y62-I64 PolarHBondContact O-N 2.92Å; I64-N66 PolarHBondContact O-N 3.46Å; I64-N66 VanDerWaalsContact O-N 3.15Å; I64-N66 PolarHBondContact O-ND2 3.2Å; I64-F122 HydrophobicContact CG2-CB 3.97Å
65	S	95.4	Very high	95.2	Very high	21 Å²	21	62.7 Å²	62.7	15%	0.147	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	10.4	178.4	-55.8	0	0	0	0	114.3	V61 Y62 N63 E67 K84 M117	V61-S65 WeakPolarHBondContact O-CB 3.13Å; V61-S65 PolarHBondContact O-N 3.35Å; V61-S65 PolarHBondContact O-OG 3.23Å; Y62-S65 CarbonylContact O-C 3.54Å; Y62-S65 WeakPolarHBondContact O-CA 3.43Å; Y62-S65 WeakPolarHBondContact O-CB 3.44Å; Y62-S65 PolarHBondContact O-N 3.05Å; N63-S65 PolarHBondContact O-N 3.26Å; S65-E67 PolarHBondContact O-N 3.2Å; S65-K84 PolarHBondContact O-NZ 3.13Å; S65-M117 WeakPolarHBondContact OG-CE 3.31Å
66	N	95.8	Very high	95.2	Very high	144 Å²	144	61.7 Å²	61.7	77%	0.77	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	37.5	-174.9	-67.3	-92.7	0	0	0	112.8	Y62 N63 I64	Y62-N66 PolarHBondContact O-N 3.47Å; N63-N66 WeakPolarHBondContact O-CA 3.5Å; N63-N66 PolarHBondContact O-N 2.9Å; I64-N66 PolarHBondContact O-N 3.46Å; I64-N66 VanDerWaalsContact O-N 3.15Å; I64-N66 PolarHBondContact O-ND2 3.2Å
67	E	96.8	Very high	95.3	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	33%	0.333	S	S	.	.	S	Bend	trans	-117.6	163.7	176.4	-68.9	-66.9	174.1	0	0	110.7	Y62 S65 C69 L71 L81 K84	Y62-E67 CarbonylContact C-O 3.56Å; Y62-E67 HydrophobicContact CD1-CB 3.56Å; Y62-E67 HydrophobicContact CD1-CG 4.13Å; Y62-E67 HydrophobicContact CE1-CB 4.43Å; Y62-E67 HydrophobicContact CG-CB 4.4Å; Y62-E67 WeakPolarHBondContact O-CB 3.32Å; Y62-E67 PolarHBondContact O-N 2.93Å; S65-E67 PolarHBondContact O-N 3.2Å; E67-C69 PolarHBondContact O-N 2.9Å; E67-L71 HydrophobicContact CB-CD1 4.04Å; E67-L81 HydrophobicContact CG-CD1 4.44Å; E67-K84 IonicContact OE1-NZ 2.63Å; E67-K84 PolarHBondContact OE1-NZ 3.17Å
68	A	95.8	Very high	95.3	Very high	34 Å²	34	58.7 Å²	58.7	28%	0.281	33%	0.33	S	S	.	.			trans	-71.2	127.2	-176.1	0	0	0	0	0	112.3	W70 L71	A68-W70 HydrophobicContact CB-CD2 4.47Å; A68-W70 HydrophobicContact CB-CG 4.36Å; A68-W70 HydrophobicContact CB-CZ2 4.43Å; A68-W70 PolarHBondContact O-N 2.96Å; A68-W70 VanDerWaalsContact O-N 3.11Å; A68-L71 HydrophobicContact CB-CD1 4.45Å; A68-L71 HydrophobicContact CB-CG 4.14Å; A68-L71 WeakPolarHBondContact O-CB 3.34Å; A68-L71 WeakPolarHBondContact O-CD1 3.48Å; A68-L71 WeakPolarHBondContact O-CG 3.36Å; A68-L71 PolarHBondContact O-N 3.3Å; A68-L71 VanDerWaalsContact O-N 3.16Å
69	C	93.9	Very high	95.4	Very high	53 Å²	53	61.7 Å²	61.7	36%	0.358	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.3	178.1	158.6	0	0	0	0	113.6	C59 E67 L71 P72	C59-C69 HydrophobicContact CB-CB 4.04Å; C59-C69 WeakPolarHBondContact CB-O 3.37Å; C59-C69 WeakPolarHBondContact CB-SG 3Å; C59-C69 WeakPolarHBondContact SG-CB 3.44Å; C59-C69 CovalentContact SG-SG 2.02Å; C59-C69 PolarHBondContact SG-SG 3.15Å; E67-C69 PolarHBondContact O-N 2.9Å; C69-L71 VanDerWaalsContact C-N 3.34Å; C69-P72 WeakPolarHBondContact O-CD 3.38Å
70	W	93.4	Very high	95.4	Very high	149 Å²	149	63 Å²	63	56%	0.564	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-3.8	179.6	60.6	-95.1	0	0	0	114.2	A68 P72 L73 M74	A68-W70 HydrophobicContact CB-CD2 4.47Å; A68-W70 HydrophobicContact CB-CG 4.36Å; A68-W70 HydrophobicContact CB-CZ2 4.43Å; A68-W70 PolarHBondContact O-N 2.96Å; A68-W70 VanDerWaalsContact O-N 3.11Å; W70-P72 VanDerWaalsContact C-CD 3.49Å; W70-L73 HydrophobicContact CB-CD1 3.96Å; W70-L73 VanDerWaalsContact O-CB 3.29Å; W70-L73 WeakPolarHBondContact O-CB 3.24Å; W70-L73 PolarHBondContact O-N 3.38Å; W70-M74 HydrophobicContact CE3-CG 3.51Å; W70-M74 HydrophobicContact CE3-SD 4.1Å; W70-M74 HydrophobicContact CZ3-CG 3.44Å; W70-M74 VanDerWaalsContact CZ3-CG 3.44Å; W70-M74 HydrophobicContact CZ3-SD 3.98Å; W70-M74 PolarHBondContact O-N 3.38Å
71	L	94.2	Very high	95.4	Very high	28 Å²	28	58.8 Å²	58.8	15%	0.147	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.3	-40.4	177.4	-65.2	169.8	0	0	0	113.4	Y62 E67 A68 C69 L73 M74 I76	Y62-L71 HydrophobicContact CD1-CB 4.49Å; Y62-L71 HydrophobicContact CD1-CD1 3.61Å; Y62-L71 HydrophobicContact CE1-CB 4.34Å; Y62-L71 HydrophobicContact CE1-CD1 3.61Å; Y62-L71 HydrophobicContact CG-CD1 4.43Å; E67-L71 HydrophobicContact CB-CD1 4.04Å; A68-L71 HydrophobicContact CB-CD1 4.45Å; A68-L71 HydrophobicContact CB-CG 4.14Å; A68-L71 WeakPolarHBondContact O-CB 3.34Å; A68-L71 WeakPolarHBondContact O-CD1 3.48Å; A68-L71 WeakPolarHBondContact O-CG 3.36Å; A68-L71 PolarHBondContact O-N 3.3Å; A68-L71 VanDerWaalsContact O-N 3.16Å; C69-L71 VanDerWaalsContact C-N 3.34Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.36Å; L71-M74 WeakPolarHBondContact O-CA 3.31Å; L71-M74 WeakPolarHBondContact O-CB 3.39Å; L71-M74 PolarHBondContact O-N 3.46Å; L71-I76 HydrophobicContact CB-CB 4.12Å; L71-I76 HydrophobicContact CB-CD1 4.04Å; L71-I76 HydrophobicContact CD2-CD1 3.56Å; L71-I76 HydrophobicContact CG-CD1 4.33Å; L71-I76 VanDerWaalsContact O-CB 3.32Å; L71-I76 WeakPolarHBondContact O-CB 3.38Å; L71-I76 PolarHBondContact O-N 3.48Å; L71-I76 VanDerWaalsContact O-N 3.16Å
72	P	92.5	Very high	95.5	Very high	25 Å²	25	59 Å²	59	16%	0.162	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-61	-29.9	173.4	-26.6	39.4	0	0	0	114.2	L58 Y62 C69 W70 M74 G75 I76	L58-P72 HydrophobicContact CB-CG 4.16Å; L58-P72 HydrophobicContact CD2-CB 3.98Å; L58-P72 HydrophobicContact CD2-CG 3.84Å; L58-P72 HydrophobicContact CG-CB 4.3Å; L58-P72 HydrophobicContact CG-CG 3.68Å; Y62-P72 HydrophobicContact CD2-CG 3.81Å; Y62-P72 HydrophobicContact CE2-CG 4.03Å; C69-P72 WeakPolarHBondContact O-CD 3.38Å; W70-P72 VanDerWaalsContact C-CD 3.49Å; P72-M74 PolarHBondContact O-N 3.34Å; P72-G75 PolarHBondContact O-N 2.72Å; P72-I76 WeakPolarHBondContact CA-O 3.46Å
73	L	91.3	Very high	95.5	Very high	153 Å²	153	60.1 Å²	60.1	80%	0.801	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.1	-23	175.2	-65.3	158.4	0	0	0	111.7	W70 L71 G75	W70-L73 HydrophobicContact CB-CD1 3.96Å; W70-L73 VanDerWaalsContact O-CB 3.29Å; W70-L73 WeakPolarHBondContact O-CB 3.24Å; W70-L73 PolarHBondContact O-N 3.38Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.36Å; L73-G75 VanDerWaalsContact C-N 3.27Å
74	M	93.4	Very high	95.5	Very high	130 Å²	130	59.2 Å²	59.2	64%	0.64	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-87.4	7.4	173.2	-54.9	-57.9	-65.2	0	0	113.1	W70 L71 P72 I76	W70-M74 HydrophobicContact CE3-CG 3.51Å; W70-M74 HydrophobicContact CE3-SD 4.1Å; W70-M74 HydrophobicContact CZ3-CG 3.44Å; W70-M74 VanDerWaalsContact CZ3-CG 3.44Å; W70-M74 HydrophobicContact CZ3-SD 3.98Å; W70-M74 PolarHBondContact O-N 3.38Å; L71-M74 WeakPolarHBondContact O-CA 3.31Å; L71-M74 WeakPolarHBondContact O-CB 3.39Å; L71-M74 PolarHBondContact O-N 3.46Å; P72-M74 PolarHBondContact O-N 3.34Å; M74-I76 VanDerWaalsContact C-N 3.34Å; M74-I76 HydrophobicContact CB-CD1 4.41Å; M74-I76 HydrophobicContact CB-CG1 4.3Å
75	G	92	Very high	95.6	Very high	69 Å²	69	58.2 Å²	58.2	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	11.9	-176.9	0	0	0	0	0	114.3	P72 L73 G77	P72-G75 PolarHBondContact O-N 2.72Å; L73-G75 VanDerWaalsContact C-N 3.27Å; G75-G77 PolarHBondContact O-N 2.73Å
76	I	95.1	Very high	95.7	Very high	60 Å²	60	58.8 Å²	58.8	31%	0.308	32%	0.323	S	S	.	.			trans	-81.9	107.3	178.1	-55	175.8	0	0	0	109.1	Y62 L71 P72 M74 P80	Y62-I76 VanDerWaalsContact OH-CG2 3.25Å; Y62-I76 WeakPolarHBondContact OH-CG2 3.5Å; L71-I76 HydrophobicContact CB-CB 4.12Å; L71-I76 HydrophobicContact CB-CD1 4.04Å; L71-I76 HydrophobicContact CD2-CD1 3.56Å; L71-I76 HydrophobicContact CG-CD1 4.33Å; L71-I76 VanDerWaalsContact O-CB 3.32Å; L71-I76 WeakPolarHBondContact O-CB 3.38Å; L71-I76 PolarHBondContact O-N 3.48Å; L71-I76 VanDerWaalsContact O-N 3.16Å; P72-I76 WeakPolarHBondContact CA-O 3.46Å; M74-I76 VanDerWaalsContact C-N 3.34Å; M74-I76 HydrophobicContact CB-CD1 4.41Å; M74-I76 HydrophobicContact CB-CG1 4.3Å; I76-P80 HydrophobicContact CG2-CG 3.43Å; I76-P80 VanDerWaalsContact CG2-CG 3.43Å
77	G	96.1	Very high	95.7	Very high	31 Å²	31	56.8 Å²	56.8	32%	0.32	31%	0.311	S	S	.	.			trans	-80.5	-154	-177.9	0	0	0	0	0	114.7	Y62 G75	Y62-G77 PolarHBondContact OH-O 3.36Å; G75-G77 PolarHBondContact O-N 2.73Å
78	V	97.9	Very high	95.7	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	32%	0.322	C	S	.	.	S	Bend	trans	-77.3	-26.2	-178.8	-171.3	0	0	0	0	112.5	F54 L58 L81 R82 T102 A109 L110 L113	F54-V78 HydrophobicContact CE2-CG2 4.12Å; F54-V78 HydrophobicContact CZ-CG2 3.71Å; L58-V78 HydrophobicContact CD1-CG2 3.94Å; V78-L81 PolarHBondContact O-N 2.88Å; V78-L81 VanDerWaalsContact O-N 3.14Å; V78-R82 PolarHBondContact O-N 3.26Å; V78-T102 HydrophobicContact CB-CG2 3.88Å; V78-T102 HydrophobicContact CG1-CG2 3.99Å; V78-A109 HydrophobicContact CG1-CB 4.17Å; V78-L110 HydrophobicContact CG1-CB 4.38Å; V78-L110 HydrophobicContact CG1-CD1 4.43Å; V78-L110 HydrophobicContact CG2-CB 3.92Å; V78-L110 HydrophobicContact CG2-CD1 4.32Å; V78-L113 HydrophobicContact CG1-CD2 4.09Å
79	F	98.1	Very high	95.7	Very high	66 Å²	66	59.3 Å²	59.3	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-47.5	-57.9	-174	176.3	-112.6	0	0	0	115.1	L81 R82 I83 I95 D98 N99 T102	F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 2.65Å; F79-R82 PolarHBondContact O-N 3.01Å; F79-I83 HydrophobicContact CD1-CD1 4.2Å; F79-I83 HydrophobicContact CD2-CD1 3.95Å; F79-I83 HydrophobicContact CE1-CD1 3.66Å; F79-I83 HydrophobicContact CE2-CD1 3.37Å; F79-I83 HydrophobicContact CE2-CG1 4.21Å; F79-I83 HydrophobicContact CG-CD1 4.35Å; F79-I83 HydrophobicContact CZ-CD1 3.23Å; F79-I83 HydrophobicContact CZ-CG1 4.47Å; F79-I83 PolarHBondContact O-N 3.26Å; F79-I83 VanDerWaalsContact O-N 3.08Å; F79-I95 HydrophobicContact CE2-CG2 4.24Å; F79-I95 HydrophobicContact CZ-CG2 3.85Å; F79-D98 HydrophobicContact CD2-CB 4.27Å; F79-D98 HydrophobicContact CE2-CB 4.12Å; F79-N99 HydrophobicContact CD2-CB 4.05Å; F79-N99 VanDerWaalsContact CE2-CA 3.5Å; F79-N99 HydrophobicContact CE2-CB 3.54Å; F79-N99 HydrophobicContact CZ-CB 4.23Å; F79-T102 HydrophobicContact CB-CG2 4.49Å; F79-T102 WeakPolarHBondContact CB-OG1 3.41Å
80	P	97.6	Very high	95.8	Very high	55 Å²	55	61.8 Å²	61.8	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-32.9	-178	25.2	-32.7	0	0	0	112.2	Y62 I76 I83 K84	Y62-P80 WeakPolarHBondContact OH-CG 3.16Å; I76-P80 HydrophobicContact CG2-CG 3.43Å; I76-P80 VanDerWaalsContact CG2-CG 3.43Å; P80-I83 PolarHBondContact O-N 3.31Å; P80-K84 WeakPolarHBondContact O-CB 3.28Å; P80-K84 PolarHBondContact O-N 2.87Å
81	L	97.4	Very high	95.9	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-40.2	178.3	-159.2	60.3	0	0	0	111.7	V61 Y62 E67 V78 F79 K84 H85 L113 M117	V61-L81 HydrophobicContact CG1-CD2 3.79Å; Y62-L81 HydrophobicContact CD1-CD1 4.01Å; Y62-L81 HydrophobicContact CD1-CD2 4.13Å; Y62-L81 HydrophobicContact CD2-CD2 4.32Å; Y62-L81 HydrophobicContact CE1-CB 4.2Å; Y62-L81 HydrophobicContact CE1-CD1 3.95Å; Y62-L81 HydrophobicContact CE1-CD2 4.25Å; Y62-L81 HydrophobicContact CE1-CG 4.38Å; Y62-L81 HydrophobicContact CE2-CD2 4.41Å; Y62-L81 HydrophobicContact CG-CD2 4.17Å; E67-L81 HydrophobicContact CG-CD1 4.44Å; V78-L81 PolarHBondContact O-N 2.88Å; V78-L81 VanDerWaalsContact O-N 3.14Å; F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 2.65Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-H85 VanDerWaalsContact O-CB 3.3Å; L81-H85 WeakPolarHBondContact O-CB 3.36Å; L81-H85 PolarHBondContact O-N 2.86Å; L81-L113 HydrophobicContact CB-CD2 4.06Å; L81-L113 HydrophobicContact CD2-CD2 3.89Å; L81-L113 HydrophobicContact CG-CD2 3.87Å; L81-M117 HydrophobicContact CD2-CE 4.35Å; L81-M117 HydrophobicContact CG-CE 4.37Å
82	R	98	Very high	96	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-46.7	174.2	-171.7	-177.1	176.4	90	-4.3	111.4	W33 V78 F79 H85 R86 D98 T102 Q112	W33-R82 HydrophobicContact CH2-CG 3.73Å; W33-R82 HydrophobicContact CZ2-CG 3.76Å; V78-R82 PolarHBondContact O-N 3.26Å; F79-R82 PolarHBondContact O-N 3.01Å; R82-H85 PolarHBondContact O-N 3.27Å; R82-R86 VanDerWaalsContact O-CB 3.23Å; R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 PolarHBondContact O-N 3.31Å; R82-D98 VanDerWaalsContact CD-OD1 3.27Å; R82-D98 WeakPolarHBondContact CD-OD1 3.31Å; R82-D98 IonicContact CZ-OD1 3.91Å; R82-D98 IonicContact NE-OD1 2.84Å; R82-D98 PolarHBondContact NE-OD1 3.29Å; R82-T102 HydrophobicContact CB-CG2 4.33Å; R82-Q112 VanDerWaalsContact CZ-OE1 3.31Å
83	I	98.2	Very high	96.1	Very high	29 Å²	29	57.6 Å²	57.6	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-50	176.3	-70.8	169.9	0	0	0	111	F79 P80 H85 R86 I87 I95 D98	F79-I83 HydrophobicContact CD1-CD1 4.2Å; F79-I83 HydrophobicContact CD2-CD1 3.95Å; F79-I83 HydrophobicContact CE1-CD1 3.66Å; F79-I83 HydrophobicContact CE2-CD1 3.37Å; F79-I83 HydrophobicContact CE2-CG1 4.21Å; F79-I83 HydrophobicContact CG-CD1 4.35Å; F79-I83 HydrophobicContact CZ-CD1 3.23Å; F79-I83 HydrophobicContact CZ-CG1 4.47Å; F79-I83 PolarHBondContact O-N 3.26Å; F79-I83 VanDerWaalsContact O-N 3.08Å; P80-I83 PolarHBondContact O-N 3.31Å; I83-H85 VanDerWaalsContact C-N 3.28Å; I83-H85 PolarHBondContact O-N 2.9Å; I83-R86 PolarHBondContact O-N 3.4Å; I83-I87 HydrophobicContact CG2-CD1 3.55Å; I83-I87 HydrophobicContact CG2-CG1 4.27Å; I83-I87 WeakPolarHBondContact O-CB 3.47Å; I83-I87 WeakPolarHBondContact O-CG1 3.48Å; I83-I87 PolarHBondContact O-N 3.47Å; I83-I95 HydrophobicContact CD1-CG1 4.46Å; I83-I95 HydrophobicContact CD1-CG2 4.13Å; I83-D98 HydrophobicContact CG1-CB 3.98Å
84	K	97.6	Very high	96.4	Very high	83 Å²	83	53 Å²	53	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-54.4	-47.9	179.2	179.8	-174.6	174.4	-173.8	0	110.5	S65 E67 P80 L81 K88	S65-K84 PolarHBondContact O-NZ 3.13Å; E67-K84 IonicContact OE1-NZ 2.63Å; E67-K84 PolarHBondContact OE1-NZ 3.17Å; P80-K84 WeakPolarHBondContact O-CB 3.28Å; P80-K84 PolarHBondContact O-N 2.87Å; L81-K84 PolarHBondContact O-N 3.09Å; K84-K88 WeakPolarHBondContact O-CB 3.37Å; K84-K88 PolarHBondContact O-N 3.33Å
85	H	97.8	Very high	96.6	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-45.8	179.4	-169	84.2	0	0	0	112.3	W33 L81 R82 I83 I87 K88 H89 L113 D116	W33-H85 AromaticContact CZ3-CD2 3.77Å; L81-H85 VanDerWaalsContact O-CB 3.3Å; L81-H85 WeakPolarHBondContact O-CB 3.36Å; L81-H85 PolarHBondContact O-N 2.86Å; R82-H85 PolarHBondContact O-N 3.27Å; I83-H85 VanDerWaalsContact C-N 3.28Å; I83-H85 PolarHBondContact O-N 2.9Å; H85-I87 PolarHBondContact O-N 3.22Å; H85-K88 PolarHBondContact O-N 2.81Å; H85-H89 AromaticContact CE1-CD2 3.36Å; H85-H89 PolarHBondContact CE1-CD2 3Å; H85-H89 AromaticContact CE1-NE2 3.74Å; H85-H89 AromaticContact CG-CD2 3.88Å; H85-H89 AromaticContact ND1-CD2 3.46Å; H85-H89 PolarHBondContact ND1-CD2 3.02Å; H85-H89 AromaticContact ND1-NE2 3.82Å; H85-H89 AromaticContact NE2-CD2 3.71Å; H85-H89 WeakPolarHBondContact O-CB 3.17Å; H85-H89 PolarHBondContact O-CD2 3.22Å; H85-H89 PolarHBondContact O-N 3.25Å; H85-L113 HydrophobicContact CB-CD1 3.61Å; H85-D116 IonicContact CD2-OD2 3.48Å; H85-D116 PolarHBondContact CD2-OD2 3.3Å; H85-D116 IonicContact CE1-OD2 3.83Å; H85-D116 IonicContact NE2-OD2 2.72Å; H85-D116 PolarHBondContact NE2-OD2 3.33Å
86	R	97.2	Very high	96.8	Very high	33 Å²	33	54.6 Å²	54.6	13%	0.125	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-49.1	179	-169.6	-172.9	63.3	77.6	-1.8	111.6	W33 R82 I83 N90 I91 G93 D98	W33-R86 HydrophobicContact CH2-CB 4.48Å; W33-R86 HydrophobicContact CZ2-CB 4.17Å; W33-R86 HydrophobicContact CZ2-CG 4.31Å; R82-R86 VanDerWaalsContact O-CB 3.23Å; R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 PolarHBondContact O-N 3.31Å; I83-R86 PolarHBondContact O-N 3.4Å; R86-N90 PolarHBondContact O-N 3.43Å; R86-I91 HydrophobicContact CB-CB 4.38Å; R86-I91 HydrophobicContact CG-CB 3.7Å; R86-I91 HydrophobicContact CG-CG2 4.23Å; R86-I91 WeakPolarHBondContact CG-O 3.23Å; R86-I91 PolarHBondContact NH1-O 3.37Å; R86-I91 PolarHBondContact O-N 2.83Å; R86-G93 PolarHBondContact NH1-O 3.2Å; R86-D98 WeakPolarHBondContact CD-OD2 3.49Å; R86-D98 IonicContact CZ-OD2 2.83Å; R86-D98 IonicContact NE-OD2 3Å; R86-D98 PolarHBondContact NE-OD2 3Å
87	I	96.6	Very high	96.9	Very high	102 Å²	102	55 Å²	55	52%	0.523	30%	0.297	S	S	.	.	H	α-helix	trans	-66.5	-46.7	178.9	-65.6	173.6	0	0	0	110.6	I83 H85 H89 N90	I83-I87 HydrophobicContact CG2-CD1 3.55Å; I83-I87 HydrophobicContact CG2-CG1 4.27Å; I83-I87 WeakPolarHBondContact O-CB 3.47Å; I83-I87 WeakPolarHBondContact O-CG1 3.48Å; I83-I87 PolarHBondContact O-N 3.47Å; H85-I87 PolarHBondContact O-N 3.22Å; I87-H89 PolarHBondContact O-N 3.44Å; I87-N90 PolarHBondContact O-N 3.31Å
88	K	95.8	Very high	97	Very high	127 Å²	127	53.5 Å²	53.5	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-60.1	-34.7	-178.4	-177.8	-178.5	175.8	-168.3	0	112.8	K84 H85	K84-K88 WeakPolarHBondContact O-CB 3.37Å; K84-K88 PolarHBondContact O-N 3.33Å; H85-K88 PolarHBondContact O-N 2.81Å
89	H	95.6	Very high	97	Very high	30 Å²	30	56.7 Å²	56.7	14%	0.139	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	18.5	-173.9	-62.6	-64.7	0	0	0	113.9	R31 H85 I87 I91 M120 F122	R31-H89 PolarHBondContact NE-O 3.03Å; H85-H89 AromaticContact CE1-CD2 3.36Å; H85-H89 PolarHBondContact CE1-CD2 3Å; H85-H89 AromaticContact CE1-NE2 3.74Å; H85-H89 AromaticContact CG-CD2 3.88Å; H85-H89 AromaticContact ND1-CD2 3.46Å; H85-H89 PolarHBondContact ND1-CD2 3.02Å; H85-H89 AromaticContact ND1-NE2 3.82Å; H85-H89 AromaticContact NE2-CD2 3.71Å; H85-H89 WeakPolarHBondContact O-CB 3.17Å; H85-H89 PolarHBondContact O-CD2 3.22Å; H85-H89 PolarHBondContact O-N 3.25Å; I87-H89 PolarHBondContact O-N 3.44Å; H89-I91 VanDerWaalsContact C-N 3.27Å; H89-I91 HydrophobicContact CB-CD1 4.38Å; H89-I91 HydrophobicContact CB-CG1 4.16Å; H89-I91 PolarHBondContact O-N 3.25Å; H89-M120 HydrophobicContact CB-CE 4.35Å; H89-M120 WeakPolarHBondContact ND1-CE 3.21Å; H89-F122 AromaticContact NE2-CE2 3.96Å
90	N	95.4	Very high	97	Very high	105 Å²	105	59.9 Å²	59.9	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	46.3	179	-65	-53.7	0	0	0	112.7	T30 R31 R86 I87	T30-N90 CarbonylContact C-O 3.38Å; T30-N90 WeakPolarHBondContact CA-O 3.27Å; T30-N90 VanDerWaalsContact CB-O 3.31Å; T30-N90 WeakPolarHBondContact CB-O 3.35Å; R31-N90 PolarHBondContact N-O 2.73Å; R86-N90 PolarHBondContact O-N 3.43Å; I87-N90 PolarHBondContact O-N 3.31Å
91	I	97.3	Very high	97	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-86.2	132.1	177.5	-51.7	174.1	0	0	0	109.2	R31 W33 R86 H89	R31-I91 HydrophobicContact CG-CG1 4.15Å; R31-I91 VanDerWaalsContact CZ-CG1 3.4Å; R31-I91 VanDerWaalsContact NH2-CD1 3.26Å; R31-I91 CarbonylContact O-C 3.42Å; R31-I91 VanDerWaalsContact O-CA 3.25Å; R31-I91 WeakPolarHBondContact O-CA 3.27Å; W33-I91 HydrophobicContact CD2-CD1 4.09Å; W33-I91 HydrophobicContact CD2-CG2 3.92Å; W33-I91 HydrophobicContact CE3-CD1 3.81Å; W33-I91 HydrophobicContact CG-CG2 3.86Å; W33-I91 HydrophobicContact CH2-CD1 4.08Å; W33-I91 HydrophobicContact CZ2-CD1 4.35Å; W33-I91 HydrophobicContact CZ2-CG2 4.44Å; W33-I91 HydrophobicContact CZ3-CD1 3.8Å; R86-I91 HydrophobicContact CB-CB 4.38Å; R86-I91 HydrophobicContact CG-CB 3.7Å; R86-I91 HydrophobicContact CG-CG2 4.23Å; R86-I91 WeakPolarHBondContact CG-O 3.23Å; R86-I91 PolarHBondContact NH1-O 3.37Å; R86-I91 PolarHBondContact O-N 2.83Å; H89-I91 VanDerWaalsContact C-N 3.27Å; H89-I91 HydrophobicContact CB-CD1 4.38Å; H89-I91 HydrophobicContact CB-CG1 4.16Å; H89-I91 PolarHBondContact O-N 3.25Å
92	N	95.7	Very high	97	Very high	77 Å²	77	58.8 Å²	58.8	41%	0.412	31%	0.305	S	S	.	.			trans	-63	149.3	176.9	-166.4	11.4	0	0	0	111.2	R31 E32	R31-N92 PolarHBondContact O-N 3.03Å; E32-N92 WeakPolarHBondContact OE1-CB 3.1Å; E32-N92 PolarHBondContact OE1-ND2 2.92Å
93	G	94.7	Very high	96.9	Very high	35 Å²	35	62.3 Å²	62.3	36%	0.361	33%	0.33	S	S	.	.			trans	138.6	-178.1	-179.2	0	0	0	0	0	113.3	R86	R86-G93 PolarHBondContact NH1-O 3.2Å
94	S	96.3	Very high	96.8	Very high	56 Å²	56	64.4 Å²	64.4	39%	0.392	35%	0.346	S	S	.	.			trans	-131	158.7	-176.7	73	0	0	0	0	111.4	L96 D97 D98	S94-L96 PolarHBondContact O-N 3.3Å; S94-D97 PolarHBondContact O-N 3.32Å; S94-D97 WeakPolarHBondContact OG-CB 3.13Å; S94-D97 PolarHBondContact OG-N 3.41Å; S94-D97 VanDerWaalsContact OG-N 3.14Å; S94-D98 PolarHBondContact O-N 2.92Å
95	I	98	Very high	96.7	Very high	101 Å²	101	62.9 Å²	62.9	52%	0.518	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-35.5	174.7	-64.9	172.5	0	0	0	111	F79 I83 D98 N99	F79-I95 HydrophobicContact CE2-CG2 4.24Å; F79-I95 HydrophobicContact CZ-CG2 3.85Å; I83-I95 HydrophobicContact CD1-CG1 4.46Å; I83-I95 HydrophobicContact CD1-CG2 4.13Å; I95-D98 PolarHBondContact O-N 3.36Å; I95-N99 WeakPolarHBondContact O-CB 3.23Å; I95-N99 PolarHBondContact O-N 3.12Å
96	L	97.6	Very high	96.7	Very high	133 Å²	133	64.1 Å²	64.1	70%	0.696	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-42.6	178.4	-178.2	62.7	0	0	0	111.5	S94 N99 F100	S94-L96 PolarHBondContact O-N 3.3Å; L96-N99 PolarHBondContact O-N 3.37Å; L96-F100 WeakPolarHBondContact O-CB 3.41Å; L96-F100 PolarHBondContact O-N 3.38Å
97	D	96.8	Very high	96.6	Very high	68 Å²	68	66.4 Å²	66.4	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-45.9	174.7	-176.5	60.1	0	0	0	111.1	S94 N99 F100 V101	S94-D97 PolarHBondContact O-N 3.32Å; S94-D97 WeakPolarHBondContact OG-CB 3.13Å; S94-D97 PolarHBondContact OG-N 3.41Å; S94-D97 VanDerWaalsContact OG-N 3.14Å; D97-N99 VanDerWaalsContact C-N 3.28Å; D97-N99 PolarHBondContact O-N 3.02Å; D97-F100 PolarHBondContact O-N 2.97Å; D97-V101 WeakPolarHBondContact O-CB 3.2Å; D97-V101 VanDerWaalsContact O-CG2 3.3Å; D97-V101 WeakPolarHBondContact O-CG2 3.4Å; D97-V101 PolarHBondContact O-N 2.86Å
98	D	98.1	Very high	96.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-42.1	175	-70	-35.7	0	0	0	111.6	F79 R82 I83 R86 S94 I95 T102	F79-D98 HydrophobicContact CD2-CB 4.27Å; F79-D98 HydrophobicContact CE2-CB 4.12Å; R82-D98 VanDerWaalsContact CD-OD1 3.27Å; R82-D98 WeakPolarHBondContact CD-OD1 3.31Å; R82-D98 IonicContact CZ-OD1 3.91Å; R82-D98 IonicContact NE-OD1 2.84Å; R82-D98 PolarHBondContact NE-OD1 3.29Å; I83-D98 HydrophobicContact CG1-CB 3.98Å; R86-D98 WeakPolarHBondContact CD-OD2 3.49Å; R86-D98 IonicContact CZ-OD2 2.83Å; R86-D98 IonicContact NE-OD2 3Å; R86-D98 PolarHBondContact NE-OD2 3Å; S94-D98 PolarHBondContact O-N 2.92Å; I95-D98 PolarHBondContact O-N 3.36Å; D98-T102 WeakPolarHBondContact O-CB 3.49Å; D98-T102 VanDerWaalsContact O-CG2 3.27Å; D98-T102 WeakPolarHBondContact O-CG2 3.42Å; D98-T102 PolarHBondContact O-N 3.47Å; D98-T102 VanDerWaalsContact O-N 3.09Å; D98-T102 PolarHBondContact O-OG1 3.17Å
99	N	97.7	Very high	96.7	Very high	70 Å²	70	57.5 Å²	57.5	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-46.3	177.1	-177.5	67.6	0	0	0	111.8	F79 I95 L96 D97 T102 S103	F79-N99 HydrophobicContact CD2-CB 4.05Å; F79-N99 VanDerWaalsContact CE2-CA 3.5Å; F79-N99 HydrophobicContact CE2-CB 3.54Å; F79-N99 HydrophobicContact CZ-CB 4.23Å; I95-N99 WeakPolarHBondContact O-CB 3.23Å; I95-N99 PolarHBondContact O-N 3.12Å; L96-N99 PolarHBondContact O-N 3.37Å; D97-N99 VanDerWaalsContact C-N 3.28Å; D97-N99 PolarHBondContact O-N 3.02Å; N99-T102 PolarHBondContact O-OG1 2.99Å; N99-S103 WeakPolarHBondContact O-CB 3.38Å; N99-S103 PolarHBondContact O-N 3.39Å; N99-S103 PolarHBondContact O-OG 3.11Å
100	F	97.8	Very high	96.8	Very high	133 Å²	133	56.1 Å²	56.1	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-49.7	-179.5	-176.1	-100.5	0	0	0	111.1	L96 D97 T102 S103 C104	L96-F100 WeakPolarHBondContact O-CB 3.41Å; L96-F100 PolarHBondContact O-N 3.38Å; D97-F100 PolarHBondContact O-N 2.97Å; F100-T102 VanDerWaalsContact C-N 3.34Å; F100-T102 PolarHBondContact O-N 2.91Å; F100-S103 PolarHBondContact O-N 2.77Å; F100-C104 WeakPolarHBondContact CE2-SG 3.44Å; F100-C104 VanDerWaalsContact CZ-SG 3.52Å; F100-C104 VanDerWaalsContact O-CB 3.3Å; F100-C104 WeakPolarHBondContact O-CB 3.22Å; F100-C104 PolarHBondContact O-N 2.91Å; F100-C104 PolarHBondContact O-SG 2.67Å; F100-C104 VanDerWaalsContact O-SG 3.37Å
101	V	97.5	Very high	96.9	Very high	23 Å²	23	51.2 Å²	51.2	14%	0.139	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-44.3	179.6	170.5	0	0	0	0	111.3	I37 D97 C105 A109	I37-V101 HydrophobicContact CD1-CG1 3.43Å; I37-V101 VanDerWaalsContact CD1-CG1 3.43Å; I37-V101 HydrophobicContact CG1-CG1 4.01Å; D97-V101 WeakPolarHBondContact O-CB 3.2Å; D97-V101 VanDerWaalsContact O-CG2 3.3Å; D97-V101 WeakPolarHBondContact O-CG2 3.4Å; D97-V101 PolarHBondContact O-N 2.86Å; V101-C105 CarbonylContact O-C 3.49Å; V101-C105 PolarHBondContact O-N 3.44Å; V101-C105 VanDerWaalsContact O-N 3.11Å; V101-A109 HydrophobicContact CG1-CB 3.84Å
102	T	97.6	Very high	96.9	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-76.7	-24.8	-179.3	56	0	0	0	0	113.8	V78 F79 R82 D98 N99 F100 P106 A109	V78-T102 HydrophobicContact CB-CG2 3.88Å; V78-T102 HydrophobicContact CG1-CG2 3.99Å; F79-T102 HydrophobicContact CB-CG2 4.49Å; F79-T102 WeakPolarHBondContact CB-OG1 3.41Å; R82-T102 HydrophobicContact CB-CG2 4.33Å; D98-T102 WeakPolarHBondContact O-CB 3.49Å; D98-T102 VanDerWaalsContact O-CG2 3.27Å; D98-T102 WeakPolarHBondContact O-CG2 3.42Å; D98-T102 PolarHBondContact O-N 3.47Å; D98-T102 VanDerWaalsContact O-N 3.09Å; D98-T102 PolarHBondContact O-OG1 3.17Å; N99-T102 PolarHBondContact O-OG1 2.99Å; F100-T102 VanDerWaalsContact C-N 3.34Å; F100-T102 PolarHBondContact O-N 2.91Å; T102-P106 WeakPolarHBondContact O-CA 3.48Å; T102-P106 VanDerWaalsContact O-CB 3.28Å; T102-P106 WeakPolarHBondContact O-CB 3.44Å; T102-P106 WeakPolarHBondContact O-CD 3.46Å; T102-A109 HydrophobicContact CG2-CB 3.74Å
103	S	96.7	Very high	97	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-81.2	-41.4	175.1	-60.1	0	0	0	0	112.4	N99 F100	N99-S103 WeakPolarHBondContact O-CB 3.38Å; N99-S103 PolarHBondContact O-N 3.39Å; N99-S103 PolarHBondContact O-OG 3.11Å; F100-S103 PolarHBondContact O-N 2.77Å
104	C	96	Very high	97.1	Very high	72 Å²	72	47.5 Å²	47.5	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-74.6	-44	-178.4	-70	0	0	0	0	112.2	F100	F100-C104 WeakPolarHBondContact CE2-SG 3.44Å; F100-C104 VanDerWaalsContact CZ-SG 3.52Å; F100-C104 VanDerWaalsContact O-CB 3.3Å; F100-C104 WeakPolarHBondContact O-CB 3.22Å; F100-C104 PolarHBondContact O-N 2.91Å; F100-C104 PolarHBondContact O-SG 2.67Å; F100-C104 VanDerWaalsContact O-SG 3.37Å
105	C	95.3	Very high	97.1	Very high	52 Å²	52	45.7 Å²	45.7	35%	0.351	25%	0.248	S	C	.	.			trans	-139.9	67.2	-173.7	-63.4	0	0	0	0	111.1	V101 Q107 L108 A109	V101-C105 CarbonylContact O-C 3.49Å; V101-C105 PolarHBondContact O-N 3.44Å; V101-C105 VanDerWaalsContact O-N 3.11Å; C105-Q107 VanDerWaalsContact C-N 3.27Å; C105-Q107 PolarHBondContact O-N 2.85Å; C105-L108 HydrophobicContact CB-CB 3.91Å; C105-L108 HydrophobicContact CB-CD1 3.91Å; C105-L108 HydrophobicContact CB-CG 3.94Å; C105-L108 PolarHBondContact O-N 2.85Å; C105-L108 VanDerWaalsContact O-N 3.12Å; C105-A109 WeakPolarHBondContact O-CB 3.25Å; C105-A109 PolarHBondContact O-N 3.39Å
106	P	96.2	Very high	97.1	Very high	36 Å²	36	40.9 Å²	40.9	23%	0.234	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-37.9	-175.3	15.9	-25.3	0	0	0	113	F54 T102 A109 L110	F54-P106 HydrophobicContact CE2-CB 4.1Å; F54-P106 HydrophobicContact CZ-CB 3.75Å; T102-P106 WeakPolarHBondContact O-CA 3.48Å; T102-P106 VanDerWaalsContact O-CB 3.28Å; T102-P106 WeakPolarHBondContact O-CB 3.44Å; T102-P106 WeakPolarHBondContact O-CD 3.46Å; P106-A109 PolarHBondContact O-N 2.86Å; P106-L110 WeakPolarHBondContact O-CB 3.48Å; P106-L110 PolarHBondContact O-N 2.86Å
107	Q	96.2	Very high	97.1	Very high	81 Å²	81	34.8 Å²	34.8	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-51.8	176.3	-61.4	85.4	-22.2	0	0	110.3	A50 F54 C105 A109 L110 C111	A50-Q107 HydrophobicContact CB-CB 4.48Å; F54-Q107 HydrophobicContact CD2-CB 4.49Å; F54-Q107 HydrophobicContact CD2-CG 3.85Å; F54-Q107 HydrophobicContact CE2-CG 4.34Å; C105-Q107 VanDerWaalsContact C-N 3.27Å; C105-Q107 PolarHBondContact O-N 2.85Å; Q107-A109 VanDerWaalsContact C-N 3.29Å; Q107-A109 PolarHBondContact O-N 3.41Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 2.84Å; Q107-C111 PolarHBondContact O-N 3.37Å; Q107-C111 PolarHBondContact O-SG 2.96Å
108	L	96.2	Very high	97	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-39.7	178.6	-58.1	-171.4	0	0	0	111.9	I37 C40 C105 L110 C111 Q112	I37-L108 HydrophobicContact CD1-CB 3.85Å; I37-L108 WeakPolarHBondContact CD1-O 3.42Å; I37-L108 HydrophobicContact CG1-CB 3.78Å; C40-L108 WeakPolarHBondContact SG-CD2 3.46Å; C105-L108 HydrophobicContact CB-CB 3.91Å; C105-L108 HydrophobicContact CB-CD1 3.91Å; C105-L108 HydrophobicContact CB-CG 3.94Å; C105-L108 PolarHBondContact O-N 2.85Å; C105-L108 VanDerWaalsContact O-N 3.12Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 2.8Å; L108-C111 WeakPolarHBondContact O-CB 3.3Å; L108-C111 PolarHBondContact O-N 2.89Å; L108-C111 VanDerWaalsContact O-N 3.17Å; L108-Q112 PolarHBondContact O-N 3.14Å
109	A	97.8	Very high	96.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-41.5	177.8	0	0	0	0	0	111.7	I37 V78 V101 T102 C105 P106 Q107 C111 L113	I37-A109 HydrophobicContact CD1-CB 4.08Å; I37-A109 VanDerWaalsContact CD1-N 3.34Å; V78-A109 HydrophobicContact CG1-CB 4.17Å; V101-A109 HydrophobicContact CG1-CB 3.84Å; T102-A109 HydrophobicContact CG2-CB 3.74Å; C105-A109 WeakPolarHBondContact O-CB 3.25Å; C105-A109 PolarHBondContact O-N 3.39Å; P106-A109 PolarHBondContact O-N 2.86Å; Q107-A109 VanDerWaalsContact C-N 3.29Å; Q107-A109 PolarHBondContact O-N 3.41Å; A109-C111 VanDerWaalsContact C-N 3.32Å; A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 PolarHBondContact O-N 3.48Å
110	L	97.8	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-38.4	175	-173.5	55.7	0	0	0	111.7	A50 F54 Y57 L58 V61 V78 P106 Q107 L108 L113 R114	A50-L110 HydrophobicContact CB-CD2 4.31Å; F54-L110 HydrophobicContact CD2-CD2 3.94Å; F54-L110 HydrophobicContact CE2-CB 4.18Å; F54-L110 HydrophobicContact CE2-CD2 3.65Å; F54-L110 HydrophobicContact CZ-CD2 4.44Å; Y57-L110 HydrophobicContact CD1-CD2 3.61Å; Y57-L110 HydrophobicContact CD1-CG 3.97Å; Y57-L110 HydrophobicContact CE1-CD2 4.31Å; Y57-L110 HydrophobicContact CE1-CG 4.17Å; L58-L110 HydrophobicContact CB-CD2 3.97Å; L58-L110 HydrophobicContact CD1-CD1 3.63Å; L58-L110 HydrophobicContact CD1-CD2 4.08Å; L58-L110 HydrophobicContact CD1-CG 4.48Å; V61-L110 HydrophobicContact CB-CD1 3.84Å; V61-L110 HydrophobicContact CG1-CD1 3.88Å; V61-L110 HydrophobicContact CG2-CD1 3.81Å; V61-L110 HydrophobicContact CG2-CG 4.4Å; V78-L110 HydrophobicContact CG1-CB 4.38Å; V78-L110 HydrophobicContact CG1-CD1 4.43Å; V78-L110 HydrophobicContact CG2-CB 3.92Å; V78-L110 HydrophobicContact CG2-CD1 4.32Å; P106-L110 WeakPolarHBondContact O-CB 3.48Å; P106-L110 PolarHBondContact O-N 2.86Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 2.84Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 2.8Å; L110-L113 PolarHBondContact O-N 3.33Å; L110-R114 PolarHBondContact O-N 2.83Å
111	C	96.7	Very high	96.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-47.2	177.7	-57.4	0	0	0	0	112.5	C47 A50 Q107 L108 A109 L113 R114 R115	C47-C111 WeakPolarHBondContact CA-SG 3.41Å; C47-C111 WeakPolarHBondContact SG-CB 3.25Å; C47-C111 PolarHBondContact SG-SG 3.28Å; A50-C111 WeakPolarHBondContact CB-SG 3.49Å; Q107-C111 PolarHBondContact O-N 3.37Å; Q107-C111 PolarHBondContact O-SG 2.96Å; L108-C111 WeakPolarHBondContact O-CB 3.3Å; L108-C111 PolarHBondContact O-N 2.89Å; L108-C111 VanDerWaalsContact O-N 3.17Å; A109-C111 VanDerWaalsContact C-N 3.32Å; C111-L113 PolarHBondContact O-N 2.99Å; C111-R114 PolarHBondContact O-N 3.34Å; C111-R115 WeakPolarHBondContact O-CG 3.36Å; C111-R115 PolarHBondContact O-N 3.2Å
112	Q	97.6	Very high	95.9	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-43.8	175.1	-173.4	-172.9	32.8	0	0	110.1	W33 S35 I37 R82 L108 R115 D116	W33-Q112 HydrophobicContact CE3-CG 4.41Å; S35-Q112 PolarHBondContact O-NE2 3.21Å; I37-Q112 HydrophobicContact CD1-CB 4.01Å; R82-Q112 VanDerWaalsContact CZ-OE1 3.31Å; L108-Q112 PolarHBondContact O-N 3.14Å; Q112-R115 PolarHBondContact O-N 2.78Å; Q112-D116 WeakPolarHBondContact O-CB 3.31Å; Q112-D116 PolarHBondContact O-N 3.42Å
113	L	97.9	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-46.2	176.6	-178.1	62	0	0	0	111.9	W33 V61 V78 L81 H85 A109 L110 C111 D116 M117	W33-L113 HydrophobicContact CH2-CD1 4.2Å; W33-L113 HydrophobicContact CZ3-CD1 4.04Å; V61-L113 HydrophobicContact CG1-CD2 4.4Å; V78-L113 HydrophobicContact CG1-CD2 4.09Å; L81-L113 HydrophobicContact CB-CD2 4.06Å; L81-L113 HydrophobicContact CD2-CD2 3.89Å; L81-L113 HydrophobicContact CG-CD2 3.87Å; H85-L113 HydrophobicContact CB-CD1 3.61Å; A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 3.33Å; C111-L113 PolarHBondContact O-N 2.99Å; L113-D116 PolarHBondContact O-N 2.95Å; L113-M117 HydrophobicContact CD1-CE 3.8Å; L113-M117 HydrophobicContact CD2-CE 4Å; L113-M117 HydrophobicContact CG-CE 3.67Å; L113-M117 HydrophobicContact CG-SD 4.4Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.33Å
114	R	97.2	Very high	95.7	Very high	27 Å²	27	43.1 Å²	43.1	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.6	179.5	73.3	-172.5	106	-10	111.8	Y57 L110 C111 D116 M117 K118 F122	Y57-R114 VanDerWaalsContact OH-CG 3.24Å; Y57-R114 WeakPolarHBondContact OH-CG 3.43Å; L110-R114 PolarHBondContact O-N 2.83Å; C111-R114 PolarHBondContact O-N 3.34Å; R114-D116 PolarHBondContact O-N 3.39Å; R114-M117 WeakPolarHBondContact O-CB 3.3Å; R114-M117 PolarHBondContact O-N 3.46Å; R114-M117 VanDerWaalsContact O-N 3.15Å; R114-K118 PolarHBondContact O-N 3.47Å; R114-F122 PolarHBondContact NH1-O 3.26Å; R114-F122 PolarHBondContact NH2-O 3.24Å
115	R	97	Very high	95.7	Very high	18 Å²	18	41.4 Å²	41.4	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-42.2	178.1	-75	-169.9	-64.3	-93.8	4.7	110.9	S35 G36 I37 S39 D43 C47 C111 Q112 K118 F119	S35-R115 PolarHBondContact OG-NE 3.47Å; G36-R115 PolarHBondContact O-NH2 3.05Å; I37-R115 PolarHBondContact O-NH2 3.48Å; S39-R115 PolarHBondContact O-NE 3.33Å; S39-R115 PolarHBondContact O-NH1 3.15Å; D43-R115 HydrophobicContact CB-CG 3.52Å; C47-R115 PolarHBondContact SG-NH1 2.89Å; C111-R115 WeakPolarHBondContact O-CG 3.36Å; C111-R115 PolarHBondContact O-N 3.2Å; Q112-R115 PolarHBondContact O-N 2.78Å; R115-K118 WeakPolarHBondContact O-CB 3.4Å; R115-K118 PolarHBondContact O-N 3.48Å; R115-F119 PolarHBondContact O-N 3.05Å
116	D	97.6	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-35.6	177.9	-160.4	85	0	0	0	112.9	R31 W33 S34 H85 Q112 L113 R114 F119 M120	R31-D116 IonicContact CZ-OD1 3.68Å; R31-D116 IonicContact CZ-OD2 3.51Å; R31-D116 IonicContact NH1-OD1 2.86Å; R31-D116 PolarHBondContact NH1-OD1 2.94Å; R31-D116 IonicContact NH1-OD2 3.44Å; R31-D116 PolarHBondContact NH1-OD2 3.46Å; R31-D116 IonicContact NH2-OD1 3.57Å; R31-D116 IonicContact NH2-OD2 2.67Å; R31-D116 PolarHBondContact NH2-OD2 3.39Å; W33-D116 HydrophobicContact CE3-CB 3.85Å; W33-D116 HydrophobicContact CZ3-CB 4.08Å; S34-D116 VanDerWaalsContact CB-OD1 3.3Å; S34-D116 WeakPolarHBondContact CB-OD1 3.29Å; S34-D116 PolarHBondContact N-OD1 2.93Å; S34-D116 VanDerWaalsContact OG-CA 3.25Å; S34-D116 WeakPolarHBondContact OG-CA 3.25Å; S34-D116 WeakPolarHBondContact OG-CB 3.09Å; S34-D116 PolarHBondContact OG-OD1 3.32Å; H85-D116 IonicContact CD2-OD2 3.48Å; H85-D116 PolarHBondContact CD2-OD2 3.3Å; H85-D116 IonicContact CE1-OD2 3.83Å; H85-D116 IonicContact NE2-OD2 2.72Å; H85-D116 PolarHBondContact NE2-OD2 3.33Å; Q112-D116 WeakPolarHBondContact O-CB 3.31Å; Q112-D116 PolarHBondContact O-N 3.42Å; L113-D116 PolarHBondContact O-N 2.95Å; R114-D116 PolarHBondContact O-N 3.39Å; D116-F119 WeakPolarHBondContact O-CB 3.42Å; D116-F119 PolarHBondContact O-N 2.82Å; D116-M120 VanDerWaalsContact O-CG 3.31Å; D116-M120 WeakPolarHBondContact O-CG 3.3Å; D116-M120 PolarHBondContact O-N 3.31Å
117	M	97	Very high	95.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-44.3	168.8	-73.3	173.4	-179.4	0	0	111.9	V61 S65 L81 L113 R114 F119 M120 G121 F122	V61-M117 HydrophobicContact CG1-CE 3.96Å; V61-M117 HydrophobicContact CG1-SD 3.73Å; S65-M117 WeakPolarHBondContact OG-CE 3.31Å; L81-M117 HydrophobicContact CD2-CE 4.35Å; L81-M117 HydrophobicContact CG-CE 4.37Å; L113-M117 HydrophobicContact CD1-CE 3.8Å; L113-M117 HydrophobicContact CD2-CE 4Å; L113-M117 HydrophobicContact CG-CE 3.67Å; L113-M117 HydrophobicContact CG-SD 4.4Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.33Å; R114-M117 WeakPolarHBondContact O-CB 3.3Å; R114-M117 PolarHBondContact O-N 3.46Å; R114-M117 VanDerWaalsContact O-N 3.15Å; M117-F119 VanDerWaalsContact C-N 3.34Å; M117-F119 PolarHBondContact O-N 2.91Å; M117-M120 CarbonylContact O-C 3.42Å; M117-M120 PolarHBondContact O-N 3.06Å; M117-M120 VanDerWaalsContact O-N 3.15Å; M117-G121 PolarHBondContact O-N 3.4Å; M117-G121 VanDerWaalsContact O-N 3.13Å; M117-F122 HydrophobicContact CB-CB 4.18Å; M117-F122 PolarHBondContact O-N 2.69Å
118	K	96	Very high	95.7	Very high	86 Å²	86	38.5 Å²	38.5	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-43.6	174.8	-67.7	-177	178.4	176.3	0	111.3	D43 S46 R114 R115 M120 G121 F122	D43-K118 IonicContact OD1-NZ 2.73Å; D43-K118 PolarHBondContact OD1-NZ 3.11Å; D43-K118 VanDerWaalsContact OD2-CE 3.31Å; D43-K118 WeakPolarHBondContact OD2-CE 3.47Å; D43-K118 IonicContact OD2-NZ 3.85Å; D43-K118 PolarHBondContact OD2-NZ 2.91Å; S46-K118 PolarHBondContact OG-NZ 2.68Å; R114-K118 PolarHBondContact O-N 3.47Å; R115-K118 WeakPolarHBondContact O-CB 3.4Å; R115-K118 PolarHBondContact O-N 3.48Å; K118-M120 VanDerWaalsContact C-N 3.26Å; K118-M120 PolarHBondContact O-N 3.22Å; K118-G121 PolarHBondContact O-N 2.8Å; K118-F122 WeakPolarHBondContact CA-O 3.13Å
119	F	95.5	Very high	95.6	Very high	139 Å²	139	38.1 Å²	38.1	61%	0.61	20%	0.197	S	C	*	.	H	α-helix	trans	-60	-35.2	175.8	179.1	-97.3	0	0	0	112.5	R115 D116 M117 G121	R115-F119 PolarHBondContact O-N 3.05Å; D116-F119 WeakPolarHBondContact O-CB 3.42Å; D116-F119 PolarHBondContact O-N 2.82Å; M117-F119 VanDerWaalsContact C-N 3.34Å; M117-F119 PolarHBondContact O-N 2.91Å; F119-G121 VanDerWaalsContact C-N 3.33Å
120	M	94.1	Very high	95.5	Very high	71 Å²	71	41.1 Å²	41.1	35%	0.35	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.5	175.9	-63.7	-55	-67.4	0	0	114.4	R31 H89 D116 M117 K118 F122	R31-M120 PolarHBondContact NH2-SD 2.79Å; R31-M120 VanDerWaalsContact NH2-SD 3.38Å; H89-M120 HydrophobicContact CB-CE 4.35Å; H89-M120 WeakPolarHBondContact ND1-CE 3.21Å; D116-M120 VanDerWaalsContact O-CG 3.31Å; D116-M120 WeakPolarHBondContact O-CG 3.3Å; D116-M120 PolarHBondContact O-N 3.31Å; M117-M120 CarbonylContact O-C 3.42Å; M117-M120 PolarHBondContact O-N 3.06Å; M117-M120 VanDerWaalsContact O-N 3.15Å; K118-M120 VanDerWaalsContact C-N 3.26Å; K118-M120 PolarHBondContact O-N 3.22Å; M120-F122 HydrophobicContact CB-CD2 3.9Å; M120-F122 HydrophobicContact CB-CE2 3.88Å
121	G	91.8	Very high	95.3	Very high	68 Å²	68	44.5 Å²	44.5	70%	0.701	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.8	23.9	176.7	0	0	0	0	0	116.2	M117 K118 F119	M117-G121 PolarHBondContact O-N 3.4Å; M117-G121 VanDerWaalsContact O-N 3.13Å; K118-G121 PolarHBondContact O-N 2.8Å; F119-G121 VanDerWaalsContact C-N 3.33Å
122	F	85	Confident	95.1	Very high	109 Å²	109	48.4 Å²	48.4	48%	0.478	25%	0.25	S	C	.	.			trans	-109	0	174.8	-55.2	-83.7	0	0	0	113.3	I64 H89 R114 M117 K118 M120	I64-F122 HydrophobicContact CG2-CB 3.97Å; H89-F122 AromaticContact NE2-CE2 3.96Å; R114-F122 PolarHBondContact NH1-O 3.26Å; R114-F122 PolarHBondContact NH2-O 3.24Å; M117-F122 HydrophobicContact CB-CB 4.18Å; M117-F122 PolarHBondContact O-N 2.69Å; K118-F122 WeakPolarHBondContact CA-O 3.13Å; M120-F122 HydrophobicContact CB-CD2 3.9Å; M120-F122 HydrophobicContact CB-CE2 3.88Å

Retrieved 122 of 122 residues in 238.8 ms (Link to these results)

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