A0A2K5NGJ1_CERAT Loading...

Marginal zone B and B1 cell specific protein

AlphaFold DB , UniProt , Accession A0A2K5NGJ1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MZB1, Length 188 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	48.8	Very low	248 Å²	248	161.2 Å²	161.2	100%	1.222	83%	0.833	S	S	*	*				0	149.1	0	-79.1	159.6	70.8	0	0	108.5
2	R	50.2	Low	48.7	Very low	237 Å²	237	152.8 Å²	152.8	89%	0.894	82%	0.816	S	S	*	*			trans	-55.1	146.5	-156.6	-59.5	179.8	173.1	-153.3	-2.6	117.4
3	L	39.7	Very low	49.1	Very low	168 Å²	168	148.6 Å²	148.6	88%	0.88	82%	0.815	S	S	*	*			trans	-163.8	103.3	143.4	-125.1	77.5	0	0	0	107
4	S	44	Very low	49.1	Very low	100 Å²	100	155.4 Å²	155.4	70%	0.699	82%	0.823	S	S	*	*				74.1	94.4	80.5	-51.1	0	0	0	0	115.8
5	L	45.3	Very low	49.2	Very low	170 Å²	170	151 Å²	151	89%	0.89	82%	0.817	S	S	*	*			trans	45.2	164.4	144.4	-89.9	96.7	0	0	0	121.8
6	P	52.9	Low	49.9	Very low	98 Å²	98	151.2 Å²	151.2	64%	0.636	82%	0.816	S	S	*	*			cis	-135.1	172.8	2.8	32.1	-9.6	0	0	0	116.7
7	L	53.8	Low	49.8	Very low	149 Å²	149	149.5 Å²	149.5	78%	0.78	81%	0.814	S	S	*	*			trans	-56.9	128	161.5	-169.4	79.2	0	0	0	112.1	L9	L7-L9 HydrophobicContact CD2-CD1 4.36Å
8	L	53.4	Low	49.8	Very low	143 Å²	143	145.1 Å²	145.1	75%	0.749	81%	0.809	S	S	*	*			trans	-134	95.9	163.7	-102	138.2	0	0	0	109.4	L10	L8-L10 PolarHBondContact O-N 3.13Å
9	L	52.4	Low	49.5	Very low	140 Å²	140	141.3 Å²	141.3	73%	0.733	81%	0.806	S	S	*	*			trans	-66.3	104.9	163.3	-83.6	149.3	0	0	0	108.4	L7	L7-L9 HydrophobicContact CD2-CD1 4.36Å
10	L	53.8	Low	49.5	Very low	156 Å²	156	142.9 Å²	142.9	82%	0.817	81%	0.811	S	S	*	*			trans	-102.3	90.1	163.3	-72.2	170.2	0	0	0	108.1	L8 G12	L8-L10 PolarHBondContact O-N 3.13Å; L10-G12 PolarHBondContact O-N 2.9Å
11	L	53.4	Low	49.8	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	80%	0.801	S	S	*	*			trans	-65.6	88.3	159.5	-80.9	153.8	0	0	0	107.6	A13	L11-A13 PolarHBondContact O-N 3.3Å; L11-A13 VanDerWaalsContact O-N 3.09Å
12	G	47.3	Very low	50.6	Low	61 Å²	61	135.1 Å²	135.1	63%	0.629	79%	0.786	S	S	*	*			trans	-68.8	99.8	165.6	0	0	0	0	0	108.6	L10 W14	L10-G12 PolarHBondContact O-N 2.9Å; G12-W14 PolarHBondContact O-N 2.92Å
13	A	54.1	Low	51.2	Low	98 Å²	98	134.9 Å²	134.9	81%	0.81	79%	0.785	S	S	*	*			trans	-60.9	103.2	166	0	0	0	0	0	108	L11 A15	L11-A13 PolarHBondContact O-N 3.3Å; L11-A13 VanDerWaalsContact O-N 3.09Å; A13-A15 VanDerWaalsContact C-N 3.32Å; A13-A15 PolarHBondContact O-N 3.4Å
14	W	49.7	Very low	52.3	Low	243 Å²	243	130.6 Å²	130.6	92%	0.92	77%	0.774	S	S	*	*			trans	-66.8	98	165.2	-78.8	16	0	0	0	107.2	G12 I16	G12-W14 PolarHBondContact O-N 2.92Å; W14-I16 PolarHBondContact O-N 2.71Å
15	A	50.2	Low	53.2	Low	90 Å²	90	131.2 Å²	131.2	74%	0.744	78%	0.776	S	S	*	*			trans	-62.6	105.3	163.4	0	0	0	0	0	107	A13 P17	A13-A15 VanDerWaalsContact C-N 3.32Å; A13-A15 PolarHBondContact O-N 3.4Å; A15-P17 VanDerWaalsContact O-CD 3.22Å; A15-P17 WeakPolarHBondContact O-CD 3.38Å
16	I	60.3	Low	54	Low	154 Å²	154	130.2 Å²	130.2	79%	0.79	77%	0.77	S	S	*	*			trans	-60.1	116.9	163.5	-58.8	177.7	0	0	0	105.1	W14 G18	W14-I16 PolarHBondContact O-N 2.71Å; I16-G18 VanDerWaalsContact C-N 3.28Å; I16-G18 PolarHBondContact O-N 3.46Å
17	P	48.8	Very low	54.5	Low	122 Å²	122	131.4 Å²	131.4	79%	0.792	78%	0.776	S	S	*	*			trans	-67.1	99	171.4	-8.9	25.1	0	0	0	105.8	A15 G19	A15-P17 VanDerWaalsContact O-CD 3.22Å; A15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-G19 PolarHBondContact O-N 3.04Å
18	G	48.6	Very low	55.2	Low	70 Å²	70	127.1 Å²	127.1	72%	0.722	76%	0.762	S	S	*	*			trans	-63.7	88.3	164.8	0	0	0	0	0	107.2	I16 L20	I16-G18 VanDerWaalsContact C-N 3.28Å; I16-G18 PolarHBondContact O-N 3.46Å; G18-L20 PolarHBondContact O-N 2.9Å
19	G	44.8	Very low	56.3	Low	73 Å²	73	125.9 Å²	125.9	75%	0.753	76%	0.761	S	S	*	*			trans	-62.9	91.8	164	0	0	0	0	0	107.1	P17 G21	P17-G19 PolarHBondContact O-N 3.04Å; G19-G21 PolarHBondContact O-N 3.32Å
20	L	50.1	Low	57.6	Low	173 Å²	173	121.4 Å²	121.4	91%	0.906	74%	0.744	S	S	*	*			trans	-61	97.3	161.1	-138.9	82.5	0	0	0	104.3	G18 D22	G18-L20 PolarHBondContact O-N 2.9Å; L20-D22 PolarHBondContact O-N 3.31Å
21	G	55.8	Low	58.9	Low	58 Å²	58	114.4 Å²	114.4	60%	0.598	71%	0.708	S	S	*	*			trans	-48.5	129.4	-179.4	0	0	0	0	0	108.9	G19 R23	G19-G21 PolarHBondContact O-N 3.32Å; G21-R23 PolarHBondContact O-N 3.2Å
22	D	54.1	Low	60.4	Low	170 Å²	170	113.3 Å²	113.3	91%	0.909	70%	0.698	S	S	*	*			trans	-59	85	177.5	-155.6	8.1	0	0	0	108.2	L20 A24	L20-D22 PolarHBondContact O-N 3.31Å; D22-A24 PolarHBondContact O-N 3.17Å
23	R	61.8	Low	62.2	Low	233 Å²	233	113.4 Å²	113.4	88%	0.879	68%	0.684	S	S	*	*			trans	-79.2	102.8	176	-77	-177.6	177.9	173.2	0.1	105.3	G21	G21-R23 PolarHBondContact O-N 3.2Å
24	A	63.4	Low	63.6	Low	78 Å²	78	111.9 Å²	111.9	65%	0.645	66%	0.662	S	S	*	*			trans	-44.6	130.7	169.4	0	0	0	0	0	109	D22 L26	D22-A24 PolarHBondContact O-N 3.17Å; A24-L26 PolarHBondContact O-N 3.35Å; A24-L26 VanDerWaalsContact O-N 3.16Å
25	P	62.6	Low	65.3	Low	113 Å²	113	106.1 Å²	106.1	73%	0.734	65%	0.649	S	S	*	*			trans	-58.9	124.4	-179.1	22	-31.1	0	0	0	109.1	T27	P25-T27 PolarHBondContact O-N 3.5Å
26	L	62.3	Low	66.9	Low	148 Å²	148	106.3 Å²	106.3	78%	0.775	64%	0.635	S	S	*	*			trans	-67.5	107.4	174.4	-63.4	171.3	0	0	0	107.5	A24 I125	A24-L26 PolarHBondContact O-N 3.35Å; A24-L26 VanDerWaalsContact O-N 3.16Å; L26-I125 HydrophobicContact CD1-CD1 3.73Å; L26-I125 HydrophobicContact CD2-CD1 4.11Å; L26-I125 HydrophobicContact CG-CD1 4.37Å
27	T	64.1	Low	68.1	Low	124 Å²	124	99 Å²	99	76%	0.761	60%	0.597	S	S	*	*			trans	-94.2	133	173.1	47.6	0	0	0	0	108.7	P25	P25-T27 PolarHBondContact O-N 3.5Å
28	A	69.1	Low	69.8	Low	59 Å²	59	98.1 Å²	98.1	49%	0.488	58%	0.584	S	S	.	*			trans	-141.5	114.7	-176.8	0	0	0	0	0	107.6	V127	A28-V127 HydrophobicContact CB-CG2 3.72Å
29	T	75.4	Confident	71.6	Confident	117 Å²	117	102.5 Å²	102.5	72%	0.718	58%	0.58	S	S	*	*			trans	-113.3	131.6	-177.6	-54.1	0	0	0	0	109.1
30	A	79.9	Confident	73.6	Confident	46 Å²	46	100.4 Å²	100.4	38%	0.38	55%	0.554	S	S	.	*			trans	-74.3	142.4	172.9	0	0	0	0	0	110	V127	A30-V127 HydrophobicContact CB-CG1 4.25Å
31	P	81.9	Confident	75.2	Confident	8 Å²	8	94.4 Å²	94.4	5%	0.052	53%	0.529	C	S	.	.			trans	-60.5	141	176.9	26.5	-35.6	0	0	0	111.1	V103 E105 V129	P31-V103 WeakPolarHBondContact CG-O 3.36Å; P31-E105 HydrophobicContact CB-CB 4.2Å; P31-V129 HydrophobicContact CG-CB 4.47Å; P31-V129 HydrophobicContact CG-CG2 3.77Å
32	Q	85	Confident	76.9	Confident	142 Å²	142	97 Å²	97	66%	0.664	53%	0.526	S	S	*	.			trans	-85.5	114.1	174.1	-66.5	-61.8	-51.8	0	0	110	K110	Q32-K110 WeakPolarHBondContact O-CE 3.35Å; Q32-K110 PolarHBondContact O-NZ 3.28Å
33	L	83.8	Confident	78.8	Confident	63 Å²	63	89.6 Å²	89.6	33%	0.33	49%	0.485	S	S	.	.			trans	-83.3	140.9	-179.8	-57.5	-177.7	0	0	0	111.6	E37 W134	L33-E37 VanDerWaalsContact CA-OE2 3.26Å; L33-E37 WeakPolarHBondContact CA-OE2 3.4Å; L33-E37 HydrophobicContact CB-CB 4.08Å; L33-E37 HydrophobicContact CD2-CB 4.31Å; L33-W134 HydrophobicContact CD1-CZ2 4.4Å; L33-W134 HydrophobicContact CD2-CZ2 4.09Å
34	D	84.4	Confident	80.3	Confident	65 Å²	65	78.5 Å²	78.5	35%	0.348	44%	0.444	S	S	.	.			trans	-86.6	176.2	171.2	65.1	44.7	0	0	0	112.5	E36 E37 M38 K110	D34-E36 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 2.99Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.13Å; D34-E37 PolarHBondContact N-OE2 2.89Å; D34-E37 PolarHBondContact O-N 3.02Å; D34-E37 WeakPolarHBondContact OD1-CB 3.3Å; D34-E37 VanDerWaalsContact OD1-CG 3.29Å; D34-E37 WeakPolarHBondContact OD1-CG 3.48Å; D34-E37 PolarHBondContact OD1-N 3.38Å; D34-M38 WeakPolarHBondContact O-CB 3.43Å; D34-M38 PolarHBondContact O-N 3.21Å; D34-K110 IonicContact OD2-NZ 2.99Å
35	D	83.9	Confident	81.7	Confident	122 Å²	122	78 Å²	78	65%	0.652	44%	0.44	S	S	*	.	H	α-helix	trans	-63.3	-36.5	-177.8	-71	-25.3	0	0	0	112.7	M38 Y39	D35-M38 PolarHBondContact O-N 3.47Å; D35-Y39 HydrophobicContact CB-CD2 4.18Å; D35-Y39 HydrophobicContact CB-CE2 4.44Å; D35-Y39 WeakPolarHBondContact O-CB 3.49Å; D35-Y39 WeakPolarHBondContact O-CD2 3.43Å; D35-Y39 PolarHBondContact O-N 3.24Å
36	E	84.3	Confident	83.1	Confident	94 Å²	94	77 Å²	77	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-48.3	175.6	-174.5	-172.7	169	0	0	109.2	D34 M38 Y39 S40 R137	D34-E36 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 2.99Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.13Å; E36-M38 VanDerWaalsContact C-N 3.26Å; E36-M38 PolarHBondContact O-N 2.92Å; E36-Y39 PolarHBondContact O-N 3.49Å; E36-S40 WeakPolarHBondContact O-CA 3.45Å; E36-S40 WeakPolarHBondContact O-CB 3.17Å; E36-S40 PolarHBondContact O-N 3.2Å; E36-R137 PolarHBondContact O-NH2 2.69Å
37	E	87	Confident	84.7	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-29.3	179.4	-69.5	175.3	138.9	0	0	113.1	L33 D34 P44 H46 K110 W134 R137	L33-E37 VanDerWaalsContact CA-OE2 3.26Å; L33-E37 WeakPolarHBondContact CA-OE2 3.4Å; L33-E37 HydrophobicContact CB-CB 4.08Å; L33-E37 HydrophobicContact CD2-CB 4.31Å; D34-E37 PolarHBondContact N-OE2 2.89Å; D34-E37 PolarHBondContact O-N 3.02Å; D34-E37 WeakPolarHBondContact OD1-CB 3.3Å; D34-E37 VanDerWaalsContact OD1-CG 3.29Å; D34-E37 WeakPolarHBondContact OD1-CG 3.48Å; D34-E37 PolarHBondContact OD1-N 3.38Å; E37-P44 HydrophobicContact CG-CG 3.9Å; E37-H46 IonicContact OE1-CE1 2.74Å; E37-H46 PolarHBondContact OE1-CE1 2.91Å; E37-H46 IonicContact OE1-NE2 2.69Å; E37-H46 PolarHBondContact OE1-NE2 3.18Å; E37-K110 WeakPolarHBondContact OE1-CD 3.2Å; E37-K110 IonicContact OE1-NZ 3.64Å; E37-K110 WeakPolarHBondContact OE2-CD 3.47Å; E37-K110 IonicContact OE2-NZ 3.69Å; E37-K110 PolarHBondContact OE2-NZ 2.77Å; E37-W134 HydrophobicContact CB-CH2 4.25Å; E37-W134 HydrophobicContact CG-CH2 4.23Å; E37-R137 VanDerWaalsContact C-NH2 3.25Å; E37-R137 VanDerWaalsContact O-CZ 3.24Å; E37-R137 PolarHBondContact O-NH1 3.18Å; E37-R137 PolarHBondContact O-NH2 2.74Å
38	M	83.3	Confident	86.2	Confident	104 Å²	104	70.5 Å²	70.5	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-84	-40	179.4	-171.5	167.6	168.2	0	0	112.7	D34 D35 E36	D34-M38 WeakPolarHBondContact O-CB 3.43Å; D34-M38 PolarHBondContact O-N 3.21Å; D35-M38 PolarHBondContact O-N 3.47Å; E36-M38 VanDerWaalsContact C-N 3.26Å; E36-M38 PolarHBondContact O-N 2.92Å
39	Y	85.7	Confident	87.5	Confident	162 Å²	162	69.5 Å²	69.5	64%	0.635	37%	0.365	S	S	*	.	H	α-helix	trans	-117.1	-20.8	-166.7	-54	-68.6	0	0	0	115.1	D35 E36	D35-Y39 HydrophobicContact CB-CD2 4.18Å; D35-Y39 HydrophobicContact CB-CE2 4.44Å; D35-Y39 WeakPolarHBondContact O-CB 3.49Å; D35-Y39 WeakPolarHBondContact O-CD2 3.43Å; D35-Y39 PolarHBondContact O-N 3.24Å; E36-Y39 PolarHBondContact O-N 3.49Å
40	S	87	Confident	88.6	Confident	29 Å²	29	64.1 Å²	64.1	20%	0.203	33%	0.332	C	S	.	.			trans	-71.9	141.3	-179	-176.4	0	0	0	0	112	E36 H42 R137	E36-S40 WeakPolarHBondContact O-CA 3.45Å; E36-S40 WeakPolarHBondContact O-CB 3.17Å; E36-S40 PolarHBondContact O-N 3.2Å; S40-H42 VanDerWaalsContact C-N 3.27Å; S40-H42 PolarHBondContact OG-N 3.49Å; S40-H42 VanDerWaalsContact OG-N 3.15Å; S40-R137 VanDerWaalsContact O-CZ 3.28Å; S40-R137 PolarHBondContact O-NE 3.08Å; S40-R137 PolarHBondContact O-NH2 2.99Å
41	A	84.2	Confident	89.4	Confident	47 Å²	47	62 Å²	62	39%	0.388	31%	0.314	S	S	.	.	S	Bend	trans	-84.4	-3.2	172.2	0	0	0	0	0	113.2
42	H	90.7	Very high	90.2	Very high	114 Å²	114	61.6 Å²	61.6	53%	0.528	31%	0.312	S	S	.	.	S	Bend	trans	-97.2	155.1	-178.7	-63.7	-78.3	0	0	0	111.8	S40 P44 R137	S40-H42 VanDerWaalsContact C-N 3.27Å; S40-H42 PolarHBondContact OG-N 3.49Å; S40-H42 VanDerWaalsContact OG-N 3.15Å; H42-P44 WeakPolarHBondContact O-CD 3.28Å; H42-R137 WeakPolarHBondContact O-CD 3.25Å; H42-R137 PolarHBondContact O-NE 3.46Å
43	M	95	Very high	90.9	Very high	13 Å²	13	57 Å²	57	6%	0.064	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.6	122.1	173	-170	60.3	73.7	0	0	109.7	L47 R48 A51 W134 R137 L138	M43-L47 HydrophobicContact CG-CB 4.34Å; M43-L47 HydrophobicContact SD-CB 4.01Å; M43-R48 HydrophobicContact CB-CG 4.44Å; M43-R48 HydrophobicContact CG-CG 4.21Å; M43-R48 PolarHBondContact O-NE 3.41Å; M43-A51 HydrophobicContact CE-CB 3.61Å; M43-A51 HydrophobicContact CG-CB 3.85Å; M43-A51 HydrophobicContact SD-CB 4.05Å; M43-W134 HydrophobicContact SD-CZ3 4.36Å; M43-R137 HydrophobicContact CE-CB 3.57Å; M43-R137 HydrophobicContact SD-CB 4.35Å; M43-L138 HydrophobicContact CE-CD2 3.96Å; M43-L138 HydrophobicContact CE-CG 3.99Å
44	P	94.3	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-54.9	141.8	177.1	-26	34.6	0	0	0	111.4	E37 H42 H46 L47 R48 W134	E37-P44 HydrophobicContact CG-CG 3.9Å; H42-P44 WeakPolarHBondContact O-CD 3.28Å; P44-H46 VanDerWaalsContact C-N 3.28Å; P44-H46 PolarHBondContact O-N 2.78Å; P44-L47 HydrophobicContact CB-CD1 4.25Å; P44-L47 HydrophobicContact CB-CG 4.33Å; P44-L47 HydrophobicContact CG-CD1 4.05Å; P44-L47 PolarHBondContact O-N 2.8Å; P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 3.45Å; P44-W134 HydrophobicContact CG-CH2 4.37Å; P44-W134 HydrophobicContact CG-CZ3 4.27Å
45	A	92.1	Very high	92.2	Very high	69 Å²	69	50.9 Å²	50.9	57%	0.57	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-53.6	-44.6	-171.9	0	0	0	0	0	113	L47 R48	A45-L47 PolarHBondContact O-N 3.48Å; A45-R48 WeakPolarHBondContact O-CB 3.27Å; A45-R48 WeakPolarHBondContact O-CG 3.42Å; A45-R48 PolarHBondContact O-N 2.92Å
46	H	91.7	Very high	92.9	Very high	91 Å²	91	45.1 Å²	45.1	42%	0.421	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-69.7	-13.3	-178.5	69.1	-87.8	0	0	0	114.1	E37 P44	E37-H46 IonicContact OE1-CE1 2.74Å; E37-H46 PolarHBondContact OE1-CE1 2.91Å; E37-H46 IonicContact OE1-NE2 2.69Å; E37-H46 PolarHBondContact OE1-NE2 3.18Å; P44-H46 VanDerWaalsContact C-N 3.28Å; P44-H46 PolarHBondContact O-N 2.78Å
47	L	95.6	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-102.5	-4.7	178.2	-58.6	-179.4	0	0	0	113.2	M43 P44 A45 C49 D50 A51 V103 K110 L112 W134	M43-L47 HydrophobicContact CG-CB 4.34Å; M43-L47 HydrophobicContact SD-CB 4.01Å; P44-L47 HydrophobicContact CB-CD1 4.25Å; P44-L47 HydrophobicContact CB-CG 4.33Å; P44-L47 HydrophobicContact CG-CD1 4.05Å; P44-L47 PolarHBondContact O-N 2.8Å; A45-L47 PolarHBondContact O-N 3.48Å; L47-C49 PolarHBondContact O-N 2.84Å; L47-D50 PolarHBondContact O-N 2.88Å; L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.43Å; L47-V103 HydrophobicContact CD1-CG2 3.76Å; L47-K110 WeakPolarHBondContact CD2-O 3.29Å; L47-L112 HydrophobicContact CD2-CB 4.49Å; L47-W134 HydrophobicContact CD1-CH2 3.65Å; L47-W134 HydrophobicContact CD1-CZ3 3.53Å
48	R	96.2	Very high	94.1	Very high	135 Å²	135	43.6 Å²	43.6	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-41	-173.6	-70	-179.4	177.9	-167.1	0.7	113.2	M43 P44 A45 A51 C52 A176	M43-R48 HydrophobicContact CB-CG 4.44Å; M43-R48 HydrophobicContact CG-CG 4.21Å; M43-R48 PolarHBondContact O-NE 3.41Å; P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 3.45Å; A45-R48 WeakPolarHBondContact O-CB 3.27Å; A45-R48 WeakPolarHBondContact O-CG 3.42Å; A45-R48 PolarHBondContact O-N 2.92Å; R48-A51 PolarHBondContact O-N 3.2Å; R48-C52 WeakPolarHBondContact O-CB 3.37Å; R48-C52 PolarHBondContact O-N 3.38Å; R48-A176 HydrophobicContact CB-CB 4.12Å
49	C	96.9	Very high	94.9	Very high	38 Å²	38	38.7 Å²	38.7	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-48.9	176.9	176.8	0	0	0	0	111.2	L47 A51 C52 R53 A176 C177	L47-C49 PolarHBondContact O-N 2.84Å; C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 2.86Å; C49-C52 PolarHBondContact O-N 3.21Å; C49-R53 WeakPolarHBondContact O-CG 3.39Å; C49-R53 PolarHBondContact O-N 2.99Å; C49-A176 WeakPolarHBondContact CB-O 3.35Å; C49-C177 WeakPolarHBondContact CA-SG 2.9Å; C49-C177 HydrophobicContact CB-CB 4.01Å; C49-C177 WeakPolarHBondContact CB-SG 3.26Å; C49-C177 VanDerWaalsContact SG-CA 3.56Å; C49-C177 WeakPolarHBondContact SG-CB 3.46Å; C49-C177 CovalentContact SG-SG 2.04Å; C49-C177 PolarHBondContact SG-SG 3.3Å
50	D	97.3	Very high	95.5	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-38.3	178.9	-62.9	-29.3	0	0	0	111	L47 R53 A54 R111 L112 L117	L47-D50 PolarHBondContact O-N 2.88Å; D50-R53 PolarHBondContact O-N 2.95Å; D50-A54 WeakPolarHBondContact O-CB 3.48Å; D50-A54 PolarHBondContact O-N 2.97Å; D50-R111 IonicContact OD1-CZ 2.92Å; D50-R111 IonicContact OD1-NE 3.33Å; D50-R111 IonicContact OD1-NH2 3.38Å; D50-R111 PolarHBondContact OD1-NH2 3.32Å; D50-R111 IonicContact OD2-CZ 3.95Å; D50-R111 IonicContact OD2-NE 3.18Å; D50-R111 PolarHBondContact OD2-NE 2.94Å; D50-R111 IonicContact OD2-NH2 3.19Å; D50-L112 HydrophobicContact CB-CB 3.66Å; D50-L112 PolarHBondContact OD2-N 3.48Å; D50-L117 HydrophobicContact CB-CD1 4.32Å; D50-L117 VanDerWaalsContact O-CD2 3.31Å; D50-L117 WeakPolarHBondContact O-CD2 3.44Å
51	A	98.1	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-41.8	174.2	0	0	0	0	0	112.8	M43 L47 R48 C49 A54 V55 L112 L138	M43-A51 HydrophobicContact CE-CB 3.61Å; M43-A51 HydrophobicContact CG-CB 3.85Å; M43-A51 HydrophobicContact SD-CB 4.05Å; L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.43Å; R48-A51 PolarHBondContact O-N 3.2Å; C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 2.86Å; A51-A54 WeakPolarHBondContact O-CB 3.22Å; A51-A54 PolarHBondContact O-N 3.29Å; A51-V55 WeakPolarHBondContact O-CG2 3.41Å; A51-V55 PolarHBondContact O-N 2.89Å; A51-L112 HydrophobicContact CB-CD2 4.21Å; A51-L138 HydrophobicContact CB-CD2 4.12Å
52	C	98.4	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-48.5	176.2	-176.2	0	0	0	0	111.7	R48 C49 A54 V55 A56 Y145 L169 C170 A176	R48-C52 WeakPolarHBondContact O-CB 3.37Å; R48-C52 PolarHBondContact O-N 3.38Å; C49-C52 PolarHBondContact O-N 3.21Å; C52-A54 VanDerWaalsContact C-N 3.26Å; C52-A54 PolarHBondContact O-N 2.98Å; C52-V55 PolarHBondContact O-N 2.86Å; C52-V55 VanDerWaalsContact O-N 3.13Å; C52-A56 WeakPolarHBondContact O-CB 3.37Å; C52-A56 PolarHBondContact O-N 3.33Å; C52-Y145 HydrophobicContact CB-CE2 4.01Å; C52-Y145 WeakPolarHBondContact CB-OH 3.28Å; C52-Y145 PolarHBondContact SG-OH 3.28Å; C52-Y145 VanDerWaalsContact SG-OH 3.36Å; C52-L169 PolarHBondContact SG-O 2.98Å; C52-L169 VanDerWaalsContact SG-O 3.36Å; C52-C170 HydrophobicContact CB-CB 3.9Å; C52-C170 WeakPolarHBondContact CB-SG 3.09Å; C52-C170 WeakPolarHBondContact SG-CA 3.29Å; C52-C170 WeakPolarHBondContact SG-CB 3.26Å; C52-C170 PolarHBondContact SG-N 3.43Å; C52-C170 VanDerWaalsContact SG-N 3.4Å; C52-C170 CovalentContact SG-SG 2.03Å; C52-C170 PolarHBondContact SG-SG 2.87Å; C52-A176 HydrophobicContact CB-CB 4.04Å
53	R	98.3	Very high	96.9	Very high	45 Å²	45	30.4 Å²	30.4	17%	0.17	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-37	178.1	-65.6	178.3	67.5	-125.6	-11.1	111.8	C49 D50 Y57 L117 E166	C49-R53 WeakPolarHBondContact O-CG 3.39Å; C49-R53 PolarHBondContact O-N 2.99Å; D50-R53 PolarHBondContact O-N 2.95Å; R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.49Å; R53-Y57 PolarHBondContact O-N 3.37Å; R53-L117 HydrophobicContact CB-CD2 3.5Å; R53-L117 VanDerWaalsContact CB-CD2 3.5Å; R53-E166 WeakPolarHBondContact CD-OE1 3.08Å; R53-E166 HydrophobicContact CG-CG 4.19Å; R53-E166 WeakPolarHBondContact CG-OE1 3.49Å; R53-E166 IonicContact CZ-OE1 3.33Å; R53-E166 IonicContact NE-OE1 2.81Å; R53-E166 PolarHBondContact NE-OE1 3.19Å
54	A	98.3	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-47.1	174.2	0	0	0	0	0	111.8	D50 A51 C52 Y57 Q58 Y101 L112 L117 L138	D50-A54 WeakPolarHBondContact O-CB 3.48Å; D50-A54 PolarHBondContact O-N 2.97Å; A51-A54 WeakPolarHBondContact O-CB 3.22Å; A51-A54 PolarHBondContact O-N 3.29Å; C52-A54 VanDerWaalsContact C-N 3.26Å; C52-A54 PolarHBondContact O-N 2.98Å; A54-Y57 PolarHBondContact O-N 3.32Å; A54-Q58 WeakPolarHBondContact O-CG 3.34Å; A54-Q58 PolarHBondContact O-N 3.48Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; A54-Y101 HydrophobicContact CB-CD1 3.81Å; A54-Y101 HydrophobicContact CB-CE1 3.31Å; A54-L112 HydrophobicContact CB-CD2 4.27Å; A54-L117 HydrophobicContact CB-CD1 4.24Å; A54-L117 HydrophobicContact CB-CD2 4.3Å; A54-L117 HydrophobicContact CB-CG 4.47Å; A54-L138 HydrophobicContact CB-CD2 4.24Å
55	V	98.5	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-50.1	177.4	171.6	0	0	0	0	111.2	A51 C52 Y57 Q58 M59 W98 T141 C142 Y145	A51-V55 WeakPolarHBondContact O-CG2 3.41Å; A51-V55 PolarHBondContact O-N 2.89Å; C52-V55 PolarHBondContact O-N 2.86Å; C52-V55 VanDerWaalsContact O-N 3.13Å; V55-Y57 VanDerWaalsContact C-N 3.27Å; V55-Y57 PolarHBondContact O-N 2.93Å; V55-Q58 PolarHBondContact O-N 2.94Å; V55-Q58 VanDerWaalsContact O-N 3.08Å; V55-M59 HydrophobicContact CG1-CE 3.71Å; V55-M59 HydrophobicContact CG1-CG 4.22Å; V55-M59 HydrophobicContact CG1-SD 3.97Å; V55-M59 PolarHBondContact O-N 2.98Å; V55-W98 HydrophobicContact CG2-CH2 4.13Å; V55-T141 HydrophobicContact CG2-CG2 4.31Å; V55-C142 HydrophobicContact CG1-CB 3.91Å; V55-C142 HydrophobicContact CG2-CB 3.91Å; V55-Y145 HydrophobicContact CB-CD2 4.37Å; V55-Y145 HydrophobicContact CG1-CD2 4.04Å
56	A	98.5	Very high	97.1	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-55.1	-45	179	0	0	0	0	0	111.5	C52 Q58 W60 E166 L169	C52-A56 WeakPolarHBondContact O-CB 3.37Å; C52-A56 PolarHBondContact O-N 3.33Å; A56-Q58 PolarHBondContact O-N 3.42Å; A56-W60 WeakPolarHBondContact O-CB 3.41Å; A56-W60 PolarHBondContact O-N 3.36Å; A56-E166 HydrophobicContact CB-CB 4.2Å; A56-L169 HydrophobicContact CB-CD1 3.91Å
57	Y	98.4	Very high	97.1	Very high	47 Å²	47	31.4 Å²	31.4	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-44.2	176.7	-180	-99.1	0	0	0	112.6	R53 A54 V55 W60 Q61 P115	R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.49Å; R53-Y57 PolarHBondContact O-N 3.37Å; A54-Y57 PolarHBondContact O-N 3.32Å; V55-Y57 VanDerWaalsContact C-N 3.27Å; V55-Y57 PolarHBondContact O-N 2.93Å; Y57-W60 HydrophobicContact CD2-CE3 4.05Å; Y57-W60 HydrophobicContact CD2-CZ3 4.22Å; Y57-W60 HydrophobicContact CE2-CE3 4.04Å; Y57-W60 AromaticContact CE2-CZ3 3.77Å; Y57-W60 HydrophobicContact CE2-CZ3 3.77Å; Y57-Q61 HydrophobicContact CD1-CG 4.07Å; Y57-Q61 HydrophobicContact CD2-CG 4.45Å; Y57-Q61 HydrophobicContact CE1-CG 3.6Å; Y57-Q61 HydrophobicContact CE2-CG 4.04Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CB 3.2Å; Y57-Q61 VanDerWaalsContact O-CG 3.3Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.03Å; Y57-P115 HydrophobicContact CD1-CB 4.21Å; Y57-P115 WeakPolarHBondContact CD1-O 3.46Å; Y57-P115 HydrophobicContact CE1-CB 3.68Å
58	Q	98.4	Very high	96.9	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-38.2	-179	-68	-65	-27.8	0	0	112.6	A54 V55 A56 Q61 N62 R96 W98 Y101	A54-Q58 WeakPolarHBondContact O-CG 3.34Å; A54-Q58 PolarHBondContact O-N 3.48Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; V55-Q58 PolarHBondContact O-N 2.94Å; V55-Q58 VanDerWaalsContact O-N 3.08Å; A56-Q58 PolarHBondContact O-N 3.42Å; Q58-Q61 PolarHBondContact O-N 3.1Å; Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 3.25Å; Q58-N62 PolarHBondContact O-ND2 2.93Å; Q58-R96 VanDerWaalsContact CD-NE 3.29Å; Q58-R96 VanDerWaalsContact CD-NH2 3.32Å; Q58-R96 VanDerWaalsContact OE1-NH2 3.11Å; Q58-W98 HydrophobicContact CB-CH2 4.05Å; Q58-W98 HydrophobicContact CB-CZ3 4.35Å; Q58-W98 HydrophobicContact CG-CH2 4.01Å; Q58-W98 HydrophobicContact CG-CZ3 3.79Å; Q58-Y101 HydrophobicContact CG-CE2 4.12Å; Q58-Y101 WeakPolarHBondContact CG-OH 3.34Å; Q58-Y101 PolarHBondContact NE2-OH 3Å
59	M	98.6	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-51.7	172.5	-73.7	-177.6	172.2	0	0	110.4	V55 Q61 N62 L63 L90 C142 L146 I154 L165 L169	V55-M59 HydrophobicContact CG1-CE 3.71Å; V55-M59 HydrophobicContact CG1-CG 4.22Å; V55-M59 HydrophobicContact CG1-SD 3.97Å; V55-M59 PolarHBondContact O-N 2.98Å; M59-Q61 PolarHBondContact O-N 3.37Å; M59-N62 PolarHBondContact O-N 3.19Å; M59-L63 WeakPolarHBondContact O-CG 3.16Å; M59-L63 PolarHBondContact O-N 2.99Å; M59-L90 HydrophobicContact CB-CD2 3.93Å; M59-L90 HydrophobicContact CG-CD2 3.87Å; M59-L90 HydrophobicContact SD-CD2 4.11Å; M59-C142 VanDerWaalsContact CE-SG 3.53Å; M59-L146 HydrophobicContact CE-CD2 3.48Å; M59-L146 VanDerWaalsContact CE-CD2 3.48Å; M59-L146 HydrophobicContact CE-CG 3.78Å; M59-I154 HydrophobicContact CE-CD1 4.4Å; M59-I154 HydrophobicContact SD-CD1 4.23Å; M59-I154 HydrophobicContact SD-CG2 4.09Å; M59-L165 HydrophobicContact CB-CD2 3.99Å; M59-L169 HydrophobicContact SD-CD1 3.88Å
60	W	98.3	Very high	95.7	Very high	58 Å²	58	37 Å²	37	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-49.9	176	172.7	70.4	0	0	0	112.4	A56 Y57 N62 L63 A64 H158 Q162 L165	A56-W60 WeakPolarHBondContact O-CB 3.41Å; A56-W60 PolarHBondContact O-N 3.36Å; Y57-W60 HydrophobicContact CD2-CE3 4.05Å; Y57-W60 HydrophobicContact CD2-CZ3 4.22Å; Y57-W60 HydrophobicContact CE2-CE3 4.04Å; Y57-W60 AromaticContact CE2-CZ3 3.77Å; Y57-W60 HydrophobicContact CE2-CZ3 3.77Å; W60-N62 PolarHBondContact O-N 3.4Å; W60-L63 PolarHBondContact O-N 3.22Å; W60-A64 VanDerWaalsContact O-CB 3.29Å; W60-A64 WeakPolarHBondContact O-CB 2.98Å; W60-A64 PolarHBondContact O-N 3.48Å; W60-H158 AromaticContact CD1-CE1 3.73Å; W60-H158 AromaticContact CD1-ND1 3.29Å; W60-H158 VanDerWaalsContact CD1-ND1 3.29Å; W60-Q162 HydrophobicContact CB-CG 4.43Å; W60-Q162 HydrophobicContact CD2-CB 3.8Å; W60-Q162 HydrophobicContact CD2-CG 3.74Å; W60-Q162 HydrophobicContact CE3-CB 4.3Å; W60-Q162 HydrophobicContact CE3-CG 3.82Å; W60-Q162 HydrophobicContact CG-CB 3.95Å; W60-Q162 HydrophobicContact CG-CG 3.96Å; W60-Q162 HydrophobicContact CZ2-CB 4.36Å; W60-Q162 HydrophobicContact CZ3-CG 4.35Å; W60-L165 HydrophobicContact CB-CD2 4Å
61	Q	97.9	Very high	94.3	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-42.2	-179.7	-82.1	-72.6	-75.2	0	0	112.7	Y57 Q58 M59 K65	Y57-Q61 HydrophobicContact CD1-CG 4.07Å; Y57-Q61 HydrophobicContact CD2-CG 4.45Å; Y57-Q61 HydrophobicContact CE1-CG 3.6Å; Y57-Q61 HydrophobicContact CE2-CG 4.04Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CB 3.2Å; Y57-Q61 VanDerWaalsContact O-CG 3.3Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.03Å; Q58-Q61 PolarHBondContact O-N 3.1Å; M59-Q61 PolarHBondContact O-N 3.37Å; Q61-K65 WeakPolarHBondContact O-CB 3.44Å; Q61-K65 PolarHBondContact O-N 3.1Å
62	N	97.8	Very high	92.9	Very high	49 Å²	49	45 Å²	45	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-69.7	-41.1	-179.6	-79.4	-76.2	0	0	0	111.7	Q58 M59 W60 K65 A66 V89	Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 3.25Å; Q58-N62 PolarHBondContact O-ND2 2.93Å; M59-N62 PolarHBondContact O-N 3.19Å; W60-N62 PolarHBondContact O-N 3.4Å; N62-K65 PolarHBondContact O-N 3.43Å; N62-A66 WeakPolarHBondContact O-CB 3.37Å; N62-A66 PolarHBondContact O-N 3Å; N62-V89 HydrophobicContact CB-CG1 3.84Å
63	L	97.3	Very high	91.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-50.8	174.3	-72.5	171	0	0	0	111.7	M59 W60 K65 A66 E67 L81 V89 L90 Y155 H158	M59-L63 WeakPolarHBondContact O-CG 3.16Å; M59-L63 PolarHBondContact O-N 2.99Å; W60-L63 PolarHBondContact O-N 3.22Å; L63-K65 VanDerWaalsContact C-N 3.25Å; L63-K65 PolarHBondContact O-N 2.83Å; L63-A66 WeakPolarHBondContact O-CB 3.19Å; L63-A66 PolarHBondContact O-N 2.85Å; L63-E67 WeakPolarHBondContact O-CG 3.47Å; L63-E67 PolarHBondContact O-N 3.4Å; L63-L81 HydrophobicContact CD2-CD1 3.82Å; L63-V89 HydrophobicContact CD2-CB 4.2Å; L63-V89 HydrophobicContact CD2-CG1 3.83Å; L63-V89 HydrophobicContact CG-CG1 4.19Å; L63-L90 HydrophobicContact CD1-CD2 3.88Å; L63-L90 HydrophobicContact CD1-CG 4.35Å; L63-L90 HydrophobicContact CD2-CG 4.25Å; L63-L90 HydrophobicContact CG-CD2 4.23Å; L63-L90 HydrophobicContact CG-CG 4.49Å; L63-Y155 HydrophobicContact CD1-CD2 4.03Å; L63-Y155 HydrophobicContact CD2-CD2 3.78Å; L63-Y155 HydrophobicContact CD2-CE2 4.04Å; L63-Y155 HydrophobicContact CG-CD2 4.46Å; L63-H158 HydrophobicContact CD1-CB 3.7Å
64	A	95.5	Very high	89.6	Confident	24 Å²	24	57 Å²	57	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-38.9	177.6	0	0	0	0	0	112.1	W60 T68	W60-A64 VanDerWaalsContact O-CB 3.29Å; W60-A64 WeakPolarHBondContact O-CB 2.98Å; W60-A64 PolarHBondContact O-N 3.48Å; A64-T68 WeakPolarHBondContact O-CB 3.46Å; A64-T68 PolarHBondContact O-N 2.9Å; A64-T68 PolarHBondContact O-OG1 3.07Å
65	K	95.1	Very high	87.8	Confident	129 Å²	129	58.7 Å²	58.7	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-67.7	-39	175.4	-175.9	177.7	-177.7	178.2	0	112.1	Q61 N62 L63 K69	Q61-K65 WeakPolarHBondContact O-CB 3.44Å; Q61-K65 PolarHBondContact O-N 3.1Å; N62-K65 PolarHBondContact O-N 3.43Å; L63-K65 VanDerWaalsContact C-N 3.25Å; L63-K65 PolarHBondContact O-N 2.83Å; K65-K69 WeakPolarHBondContact O-CG 3.44Å; K65-K69 PolarHBondContact O-N 2.87Å
66	A	94.1	Very high	86	Confident	15 Å²	15	62.3 Å²	62.3	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-43.5	176	0	0	0	0	0	111.3	N62 L63 T68 K69 L70 L81 V89	N62-A66 WeakPolarHBondContact O-CB 3.37Å; N62-A66 PolarHBondContact O-N 3Å; L63-A66 WeakPolarHBondContact O-CB 3.19Å; L63-A66 PolarHBondContact O-N 2.85Å; A66-T68 PolarHBondContact O-N 2.77Å; A66-K69 WeakPolarHBondContact O-CB 3.45Å; A66-K69 PolarHBondContact O-N 2.97Å; A66-L70 PolarHBondContact O-N 3.49Å; A66-L81 HydrophobicContact CB-CD1 3.96Å; A66-L81 HydrophobicContact CB-CD2 4.17Å; A66-V89 HydrophobicContact CB-CG1 4.37Å; A66-V89 HydrophobicContact CB-CG2 3.74Å
67	E	92.7	Very high	84.1	Confident	26 Å²	26	65.7 Å²	65.7	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.8	-72.3	170.2	162.9	0	0	111.4	L63 K69 L70 H71 L81 Y155 H158 Q159	L63-E67 WeakPolarHBondContact O-CG 3.47Å; L63-E67 PolarHBondContact O-N 3.4Å; E67-K69 PolarHBondContact O-N 2.75Å; E67-K69 VanDerWaalsContact O-N 3.16Å; E67-L70 WeakPolarHBondContact O-CA 3.42Å; E67-L70 WeakPolarHBondContact O-CB 3.44Å; E67-L70 PolarHBondContact O-N 3.2Å; E67-H71 PolarHBondContact O-N 2.8Å; E67-H71 PolarHBondContact O-ND1 3.02Å; E67-L81 HydrophobicContact CG-CD1 4.05Å; E67-L81 HydrophobicContact CG-CD2 3.82Å; E67-L81 HydrophobicContact CG-CG 3.67Å; E67-Y155 WeakPolarHBondContact OE1-CE2 3.43Å; E67-Y155 PolarHBondContact OE1-OH 3.24Å; E67-H158 VanDerWaalsContact CD-NE2 3.28Å; E67-H158 IonicContact OE1-CD2 3.57Å; E67-H158 IonicContact OE1-NE2 2.86Å; E67-H158 PolarHBondContact OE1-NE2 3.16Å; E67-H158 IonicContact OE2-CD2 2.83Å; E67-H158 IonicContact OE2-CE1 3.55Å; E67-H158 IonicContact OE2-NE2 3.18Å; E67-H158 PolarHBondContact OE2-NE2 2.73Å; E67-Q159 PolarHBondContact OE1-NE2 2.83Å
68	T	90.4	Very high	82.3	Confident	100 Å²	100	72 Å²	72	61%	0.613	40%	0.404	S	S	*	.	H	α-helix	trans	-57.4	-33.9	177.6	-57.9	0	0	0	0	112	A64 A66 L70 H71	A64-T68 WeakPolarHBondContact O-CB 3.46Å; A64-T68 PolarHBondContact O-N 2.9Å; A64-T68 PolarHBondContact O-OG1 3.07Å; A66-T68 PolarHBondContact O-N 2.77Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-H71 PolarHBondContact O-N 2.98Å
69	K	87.1	Confident	81.2	Confident	137 Å²	137	81.1 Å²	81.1	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-69.1	-30.3	175	-67.3	170.9	-179.3	-180	0	112.8	K65 A66 E67 H71 T72	K65-K69 WeakPolarHBondContact O-CG 3.44Å; K65-K69 PolarHBondContact O-N 2.87Å; A66-K69 WeakPolarHBondContact O-CB 3.45Å; A66-K69 PolarHBondContact O-N 2.97Å; E67-K69 PolarHBondContact O-N 2.75Å; E67-K69 VanDerWaalsContact O-N 3.16Å; K69-H71 VanDerWaalsContact C-N 3.29Å; K69-T72 WeakPolarHBondContact O-CG2 3.45Å; K69-T72 PolarHBondContact O-OG1 2.87Å
70	L	79.9	Confident	80.7	Confident	53 Å²	53	87.2 Å²	87.2	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-75.9	-14.4	172.7	-65.2	-166.6	0	0	0	113.8	A66 E67 T68 T72 S75 L81	A66-L70 PolarHBondContact O-N 3.49Å; E67-L70 WeakPolarHBondContact O-CA 3.42Å; E67-L70 WeakPolarHBondContact O-CB 3.44Å; E67-L70 PolarHBondContact O-N 3.2Å; T68-L70 VanDerWaalsContact C-N 3.35Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-S75 WeakPolarHBondContact O-CB 3.42Å; L70-S75 PolarHBondContact O-OG 3.28Å; L70-L81 HydrophobicContact CD1-CD2 3.45Å; L70-L81 VanDerWaalsContact CD1-CD2 3.45Å; L70-L81 HydrophobicContact CG-CD2 3.98Å
71	H	69.2	Low	80.5	Confident	103 Å²	103	84.9 Å²	84.9	48%	0.477	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.3	176.3	-68.3	87.3	0	0	0	113.2	E67 T68 K69 R79	E67-H71 PolarHBondContact O-N 2.8Å; E67-H71 PolarHBondContact O-ND1 3.02Å; T68-H71 PolarHBondContact O-N 2.98Å; K69-H71 VanDerWaalsContact C-N 3.29Å; H71-R79 PolarHBondContact CE1-O 2.78Å
72	T	67.9	Low	80.3	Confident	71 Å²	71	84 Å²	84	44%	0.436	46%	0.46	S	S	.	.	S	Bend	trans	-66.2	152	172	65	0	0	0	0	110.7	K69 L70 N74 S75	K69-T72 WeakPolarHBondContact O-CG2 3.45Å; K69-T72 PolarHBondContact O-OG1 2.87Å; L70-T72 VanDerWaalsContact C-N 3.31Å; T72-N74 PolarHBondContact O-N 3.18Å; T72-S75 PolarHBondContact N-OG 2.89Å; T72-S75 PolarHBondContact O-N 3.33Å; T72-S75 PolarHBondContact O-OG 2.53Å; T72-S75 PolarHBondContact OG1-OG 3.17Å; T72-S75 VanDerWaalsContact OG1-OG 3.1Å
73	P	62.9	Low	80.2	Confident	135 Å²	135	87.7 Å²	87.7	88%	0.877	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.9	-174.5	-27	34.4	0	0	0	115.1
74	N	63.9	Low	80.2	Confident	163 Å²	163	92 Å²	92	87%	0.872	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.3	-177	-71.5	-11.9	0	0	0	114.7	T72	T72-N74 PolarHBondContact O-N 3.18Å
75	S	61	Low	80.2	Confident	35 Å²	35	93.4 Å²	93.4	25%	0.245	51%	0.511	C	S	.	.	S	Bend	trans	-104.6	21.6	-167.7	33.7	0	0	0	0	115.8	L70 T72 G77	L70-S75 WeakPolarHBondContact O-CB 3.42Å; L70-S75 PolarHBondContact O-OG 3.28Å; T72-S75 PolarHBondContact N-OG 2.89Å; T72-S75 PolarHBondContact O-N 3.33Å; T72-S75 PolarHBondContact O-OG 2.53Å; T72-S75 PolarHBondContact OG1-OG 3.17Å; T72-S75 VanDerWaalsContact OG1-OG 3.1Å; S75-G77 VanDerWaalsContact C-N 3.31Å; S75-G77 PolarHBondContact O-N 2.7Å
76	G	61	Low	80.4	Confident	76 Å²	76	88.5 Å²	88.5	78%	0.784	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	17.2	160.6	0	0	0	0	0	116.4	R78	G76-R78 PolarHBondContact O-N 3.1Å
77	G	58.1	Low	80.6	Confident	72 Å²	72	89.5 Å²	89.5	74%	0.742	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	12.7	167.4	0	0	0	0	0	116.7	S75	S75-G77 VanDerWaalsContact C-N 3.31Å; S75-G77 PolarHBondContact O-N 2.7Å
78	R	60.9	Low	80.8	Confident	181 Å²	181	91.3 Å²	91.3	68%	0.683	51%	0.505	S	S	*	.			trans	-72.7	130.5	173.5	-71.2	-175.6	176.9	177.9	-1.6	110.7	G76	G76-R78 PolarHBondContact O-N 3.1Å
79	R	74.7	Confident	81.2	Confident	205 Å²	205	87.5 Å²	87.5	77%	0.774	48%	0.482	S	S	*	.			trans	-88	-31.4	177	-83.4	178.7	174.4	149.1	-0.6	113.7	H71	H71-R79 PolarHBondContact CE1-O 2.78Å
80	E	89.6	Confident	81.8	Confident	129 Å²	129	81 Å²	81	60%	0.603	45%	0.453	S	S	*	.	S	Bend	trans	-108.9	145	-174	-66.3	168.4	-178	0	0	111.2
81	L	93.3	Very high	82.6	Confident	9 Å²	9	81.8 Å²	81.8	5%	0.047	46%	0.458	C	S	.	.			trans	-69.7	143.1	171.2	-56.3	-179.5	0	0	0	109	L63 A66 E67 L70 V85 Y86 Y155	L63-L81 HydrophobicContact CD2-CD1 3.82Å; A66-L81 HydrophobicContact CB-CD1 3.96Å; A66-L81 HydrophobicContact CB-CD2 4.17Å; E67-L81 HydrophobicContact CG-CD1 4.05Å; E67-L81 HydrophobicContact CG-CD2 3.82Å; E67-L81 HydrophobicContact CG-CG 3.67Å; L70-L81 HydrophobicContact CD1-CD2 3.45Å; L70-L81 VanDerWaalsContact CD1-CD2 3.45Å; L70-L81 HydrophobicContact CG-CD2 3.98Å; L81-V85 HydrophobicContact CB-CB 4.32Å; L81-V85 HydrophobicContact CB-CG1 4.19Å; L81-V85 HydrophobicContact CD1-CG1 4.32Å; L81-V85 HydrophobicContact CD2-CG1 3.93Å; L81-V85 HydrophobicContact CG-CG1 4.36Å; L81-Y86 HydrophobicContact CB-CD1 4.32Å; L81-Y155 HydrophobicContact CB-CE1 4.48Å; L81-Y155 HydrophobicContact CB-CE2 4.23Å; L81-Y155 WeakPolarHBondContact CB-OH 3.34Å; L81-Y155 HydrophobicContact CD1-CE2 3.91Å; L81-Y155 HydrophobicContact CG-CE2 4.13Å; L81-Y155 PolarHBondContact N-OH 2.8Å
82	S	94.1	Very high	83.9	Confident	53 Å²	53	84.7 Å²	84.7	37%	0.371	46%	0.464	S	S	.	.			trans	-69.4	157.4	165.9	57.2	0	0	0	0	110.6	S84 V85 Y86	S82-S84 PolarHBondContact O-N 3.05Å; S82-S84 PolarHBondContact OG-OG 3.14Å; S82-V85 WeakPolarHBondContact O-CA 3.45Å; S82-V85 WeakPolarHBondContact O-CB 3.13Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact OG-CG2 3.26Å; S82-V85 WeakPolarHBondContact OG-CG2 3.38Å; S82-Y86 WeakPolarHBondContact O-CD1 3.39Å; S82-Y86 PolarHBondContact O-N 3.46Å
83	E	96.5	Very high	85.3	Confident	126 Å²	126	81.3 Å²	81.3	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-44.6	-57.4	174.5	-177.1	-173.3	156.9	0	0	113.2	V85 Y86 T87	E83-V85 PolarHBondContact O-N 3.13Å; E83-Y86 VanDerWaalsContact CA-CZ 3.42Å; E83-Y86 HydrophobicContact CB-CE1 4.05Å; E83-Y86 HydrophobicContact CG-CE2 4.27Å; E83-Y86 PolarHBondContact O-N 3.2Å; E83-T87 WeakPolarHBondContact O-CB 3.3Å; E83-T87 PolarHBondContact O-N 2.9Å; E83-T87 PolarHBondContact O-OG1 2.98Å
84	S	96.5	Very high	86.9	Confident	89 Å²	89	74.9 Å²	74.9	62%	0.622	40%	0.402	S	S	*	.	H	α-helix	trans	-54	-26.5	177.4	58.2	0	0	0	0	114.8	S82 D88	S82-S84 PolarHBondContact O-N 3.05Å; S82-S84 PolarHBondContact OG-OG 3.14Å; S84-D88 WeakPolarHBondContact O-CB 3.35Å
85	V	96.4	Very high	88.4	Confident	54 Å²	54	71.7 Å²	71.7	33%	0.327	39%	0.392	S	S	.	.	H	α-helix	trans	-87.7	-47.3	-179.5	174.6	0	0	0	0	110.9	L81 S82 E83 T87 D88 V89	L81-V85 HydrophobicContact CB-CB 4.32Å; L81-V85 HydrophobicContact CB-CG1 4.19Å; L81-V85 HydrophobicContact CD1-CG1 4.32Å; L81-V85 HydrophobicContact CD2-CG1 3.93Å; L81-V85 HydrophobicContact CG-CG1 4.36Å; S82-V85 WeakPolarHBondContact O-CA 3.45Å; S82-V85 WeakPolarHBondContact O-CB 3.13Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact OG-CG2 3.26Å; S82-V85 WeakPolarHBondContact OG-CG2 3.38Å; E83-V85 PolarHBondContact O-N 3.13Å; V85-T87 VanDerWaalsContact C-N 3.34Å; V85-D88 PolarHBondContact O-N 3.22Å; V85-V89 HydrophobicContact CG1-CG2 4.39Å; V85-V89 WeakPolarHBondContact O-CB 3.19Å; V85-V89 WeakPolarHBondContact O-CG2 3.46Å; V85-V89 PolarHBondContact O-N 3.36Å
86	Y	97.8	Very high	90.1	Very high	26 Å²	26	72.6 Å²	72.6	10%	0.102	39%	0.391	C	S	.	.	H	α-helix	trans	-68.6	-34.9	179.7	64.4	-116.9	0	0	0	111.9	L81 S82 E83 V89 L90 E151 D152 Y155	L81-Y86 HydrophobicContact CB-CD1 4.32Å; S82-Y86 WeakPolarHBondContact O-CD1 3.39Å; S82-Y86 PolarHBondContact O-N 3.46Å; E83-Y86 VanDerWaalsContact CA-CZ 3.42Å; E83-Y86 HydrophobicContact CB-CE1 4.05Å; E83-Y86 HydrophobicContact CG-CE2 4.27Å; E83-Y86 PolarHBondContact O-N 3.2Å; Y86-V89 PolarHBondContact O-N 2.96Å; Y86-L90 WeakPolarHBondContact O-CB 3.39Å; Y86-L90 VanDerWaalsContact O-CG 3.3Å; Y86-L90 WeakPolarHBondContact O-CG 3.06Å; Y86-L90 PolarHBondContact O-N 3.43Å; Y86-E151 HydrophobicContact CD2-CB 4.32Å; Y86-E151 HydrophobicContact CE2-CB 4.23Å; Y86-D152 PolarHBondContact OH-OD1 3.38Å; Y86-Y155 AromaticContact CD1-CD1 3.27Å; Y86-Y155 HydrophobicContact CD1-CD1 3.27Å; Y86-Y155 HydrophobicContact CD1-CD2 4.17Å; Y86-Y155 AromaticContact CD1-CE1 3.55Å; Y86-Y155 HydrophobicContact CD1-CE1 3.55Å; Y86-Y155 HydrophobicContact CD1-CE2 4.43Å; Y86-Y155 AromaticContact CD1-CG 3.61Å; Y86-Y155 HydrophobicContact CD1-CG 3.61Å; Y86-Y155 HydrophobicContact CD2-CD1 4.49Å; Y86-Y155 HydrophobicContact CD2-CG 4.13Å; Y86-Y155 AromaticContact CE1-CD1 3.46Å; Y86-Y155 HydrophobicContact CE1-CD1 3.46Å; Y86-Y155 VanDerWaalsContact CE1-CD1 3.46Å; Y86-Y155 AromaticContact CE1-CE1 3.95Å; Y86-Y155 HydrophobicContact CE1-CE1 3.95Å; Y86-Y155 HydrophobicContact CE1-CG 4.06Å; Y86-Y155 AromaticContact CG-CD1 3.84Å; Y86-Y155 HydrophobicContact CG-CD1 3.84Å; Y86-Y155 AromaticContact CG-CD2 3.99Å; Y86-Y155 HydrophobicContact CG-CD2 3.99Å; Y86-Y155 HydrophobicContact CG-CE1 4.34Å; Y86-Y155 AromaticContact CG-CG 3.64Å; Y86-Y155 HydrophobicContact CG-CG 3.64Å
87	T	98.2	Very high	91.8	Very high	37 Å²	37	74.5 Å²	74.5	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-49.7	174.3	-57.1	0	0	0	0	110.5	E83 V85 V89 L90 D91 E151	E83-T87 WeakPolarHBondContact O-CB 3.3Å; E83-T87 PolarHBondContact O-N 2.9Å; E83-T87 PolarHBondContact O-OG1 2.98Å; V85-T87 VanDerWaalsContact C-N 3.34Å; T87-V89 VanDerWaalsContact C-N 3.32Å; T87-V89 PolarHBondContact O-N 3.19Å; T87-L90 PolarHBondContact O-N 3.1Å; T87-D91 PolarHBondContact O-N 3.31Å; T87-E151 HydrophobicContact CG2-CG 4.08Å
88	D	98.1	Very high	93.6	Very high	64 Å²	64	71.3 Å²	71.3	34%	0.342	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-38.5	177.9	-179.4	73.1	0	0	0	112.7	S84 V85 R92	S84-D88 WeakPolarHBondContact O-CB 3.35Å; V85-D88 PolarHBondContact O-N 3.22Å; D88-R92 VanDerWaalsContact CG-NH2 3.35Å; D88-R92 WeakPolarHBondContact O-CB 3.43Å; D88-R92 WeakPolarHBondContact O-CG 3.46Å; D88-R92 PolarHBondContact O-N 2.04Å; D88-R92 VanDerWaalsContact O-N 3.08Å; D88-R92 IonicContact OD1-CZ 3.93Å; D88-R92 IonicContact OD1-NE 3.91Å; D88-R92 PolarHBondContact OD1-NE 3.38Å; D88-R92 IonicContact OD1-NH2 2.7Å; D88-R92 PolarHBondContact OD1-NH2 3.02Å; D88-R92 IonicContact OD2-CZ 3.64Å; D88-R92 IonicContact OD2-NE 2.78Å; D88-R92 PolarHBondContact OD2-NE 3.19Å; D88-R92 IonicContact OD2-NH2 3.08Å; D88-R92 PolarHBondContact OD2-NH2 3.4Å
89	V	98.2	Very high	95.3	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.4	170.1	0	0	0	0	111.1	N62 L63 A66 V85 Y86 T87 S93	N62-V89 HydrophobicContact CB-CG1 3.84Å; L63-V89 HydrophobicContact CD2-CB 4.2Å; L63-V89 HydrophobicContact CD2-CG1 3.83Å; L63-V89 HydrophobicContact CG-CG1 4.19Å; A66-V89 HydrophobicContact CB-CG1 4.37Å; A66-V89 HydrophobicContact CB-CG2 3.74Å; V85-V89 HydrophobicContact CG1-CG2 4.39Å; V85-V89 WeakPolarHBondContact O-CB 3.19Å; V85-V89 WeakPolarHBondContact O-CG2 3.46Å; V85-V89 PolarHBondContact O-N 3.36Å; Y86-V89 PolarHBondContact O-N 2.96Å; T87-V89 VanDerWaalsContact C-N 3.32Å; T87-V89 PolarHBondContact O-N 3.19Å; V89-S93 WeakPolarHBondContact O-CB 3.42Å; V89-S93 PolarHBondContact O-N 3.38Å
90	L	98.6	Very high	96.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-45.7	179.2	-77.5	173.4	0	0	0	111.8	M59 L63 Y86 T87 R92 S93 C94 L146 E151 I154	M59-L90 HydrophobicContact CB-CD2 3.93Å; M59-L90 HydrophobicContact CG-CD2 3.87Å; M59-L90 HydrophobicContact SD-CD2 4.11Å; L63-L90 HydrophobicContact CD1-CD2 3.88Å; L63-L90 HydrophobicContact CD1-CG 4.35Å; L63-L90 HydrophobicContact CD2-CG 4.25Å; L63-L90 HydrophobicContact CG-CD2 4.23Å; L63-L90 HydrophobicContact CG-CG 4.49Å; Y86-L90 WeakPolarHBondContact O-CB 3.39Å; Y86-L90 VanDerWaalsContact O-CG 3.3Å; Y86-L90 WeakPolarHBondContact O-CG 3.06Å; Y86-L90 PolarHBondContact O-N 3.43Å; T87-L90 PolarHBondContact O-N 3.1Å; L90-R92 PolarHBondContact O-N 2.93Å; L90-S93 VanDerWaalsContact O-CB 3.32Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.87Å; L90-S93 VanDerWaalsContact O-N 3.1Å; L90-S93 PolarHBondContact O-OG 3.43Å; L90-C94 PolarHBondContact O-N 3.36Å; L90-L146 HydrophobicContact CB-CD2 3.85Å; L90-L146 HydrophobicContact CD2-CD2 4.44Å; L90-E151 HydrophobicContact CB-CG 4.32Å; L90-E151 HydrophobicContact CD1-CB 3.76Å; L90-E151 HydrophobicContact CD1-CG 4.01Å; L90-I154 HydrophobicContact CD1-CB 4.13Å; L90-I154 HydrophobicContact CD1-CG2 3.7Å; L90-I154 HydrophobicContact CD2-CG2 3.56Å; L90-I154 HydrophobicContact CG-CG2 4.3Å
91	D	97.1	Very high	96.6	Very high	70 Å²	70	53.7 Å²	53.7	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-47.5	175	-78.2	-24.5	0	0	0	112.2	T87 S93 C94	T87-D91 PolarHBondContact O-N 3.31Å; D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 2.03Å; D91-C94 PolarHBondContact O-N 3.36Å
92	R	96.9	Very high	96.7	Very high	163 Å²	163	53.2 Å²	53.2	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-67.3	-28.3	178.5	-69.6	-179.9	-156.4	-92.2	-2.9	112.3	D88 L90 C94 S95 R96	D88-R92 VanDerWaalsContact CG-NH2 3.35Å; D88-R92 WeakPolarHBondContact O-CB 3.43Å; D88-R92 WeakPolarHBondContact O-CG 3.46Å; D88-R92 PolarHBondContact O-N 2.04Å; D88-R92 VanDerWaalsContact O-N 3.08Å; D88-R92 IonicContact OD1-CZ 3.93Å; D88-R92 IonicContact OD1-NE 3.91Å; D88-R92 PolarHBondContact OD1-NE 3.38Å; D88-R92 IonicContact OD1-NH2 2.7Å; D88-R92 PolarHBondContact OD1-NH2 3.02Å; D88-R92 IonicContact OD2-CZ 3.64Å; D88-R92 IonicContact OD2-NE 2.78Å; D88-R92 PolarHBondContact OD2-NE 3.19Å; D88-R92 IonicContact OD2-NH2 3.08Å; D88-R92 PolarHBondContact OD2-NH2 3.4Å; L90-R92 PolarHBondContact O-N 2.93Å; R92-C94 PolarHBondContact O-N 3.33Å; R92-S95 PolarHBondContact O-N 2.92Å; R92-S95 VanDerWaalsContact O-N 3.17Å; R92-R96 PolarHBondContact O-N 2.86Å
93	S	96.6	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-34.1	176.8	83.7	0	0	0	0	111.7	V89 L90 D91 R96	V89-S93 WeakPolarHBondContact O-CB 3.42Å; V89-S93 PolarHBondContact O-N 3.38Å; L90-S93 VanDerWaalsContact O-CB 3.32Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.87Å; L90-S93 VanDerWaalsContact O-N 3.1Å; L90-S93 PolarHBondContact O-OG 3.43Å; D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 2.03Å; S93-R96 WeakPolarHBondContact O-CB 3.08Å; S93-R96 VanDerWaalsContact O-CD 3.25Å; S93-R96 WeakPolarHBondContact O-CD 3.45Å; S93-R96 WeakPolarHBondContact O-CG 3.37Å
94	C	97.3	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-76.5	-24.6	177.5	-60.7	0	0	0	0	114	L90 D91 R92 R96 W98 S139 C142 L143 L146	L90-C94 PolarHBondContact O-N 3.36Å; D91-C94 PolarHBondContact O-N 3.36Å; R92-C94 PolarHBondContact O-N 3.33Å; C94-R96 VanDerWaalsContact C-N 3.34Å; C94-W98 PolarHBondContact O-NE1 2.98Å; C94-W98 VanDerWaalsContact O-NE1 3.11Å; C94-S139 WeakPolarHBondContact O-CB 3.34Å; C94-S139 PolarHBondContact O-OG 3.13Å; C94-C142 WeakPolarHBondContact CA-SG 3.36Å; C94-C142 HydrophobicContact CB-CB 3.63Å; C94-C142 WeakPolarHBondContact CB-SG 3.35Å; C94-C142 WeakPolarHBondContact SG-CB 3.42Å; C94-C142 CovalentContact SG-SG 2.04Å; C94-C142 PolarHBondContact SG-SG 2.81Å; C94-L143 HydrophobicContact CB-CD2 3.85Å; C94-L143 HydrophobicContact CB-CG 3.97Å; C94-L146 WeakPolarHBondContact SG-CD1 3.36Å
95	S	95.9	Very high	96.1	Very high	96 Å²	96	45.7 Å²	45.7	67%	0.671	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	10.1	177.1	-58.4	0	0	0	0	113.5	R92	R92-S95 PolarHBondContact O-N 2.92Å; R92-S95 VanDerWaalsContact O-N 3.17Å
96	R	95.8	Very high	95.4	Very high	55 Å²	55	45.5 Å²	45.5	21%	0.208	23%	0.229	C	C	.	.	S	Bend	trans	-63.5	165.1	177.5	73.2	-174.7	-68.5	-77	-0.2	112.1	Q58 R92 S93 C94 W98 D100	Q58-R96 VanDerWaalsContact CD-NE 3.29Å; Q58-R96 VanDerWaalsContact CD-NH2 3.32Å; Q58-R96 VanDerWaalsContact OE1-NH2 3.11Å; R92-R96 PolarHBondContact O-N 2.86Å; S93-R96 WeakPolarHBondContact O-CB 3.08Å; S93-R96 VanDerWaalsContact O-CD 3.25Å; S93-R96 WeakPolarHBondContact O-CD 3.45Å; S93-R96 WeakPolarHBondContact O-CG 3.37Å; C94-R96 VanDerWaalsContact C-N 3.34Å; R96-W98 HydrophobicContact CG-CD2 3.74Å; R96-W98 VanDerWaalsContact CG-CE2 3.41Å; R96-W98 HydrophobicContact CG-CE3 4.31Å; R96-W98 HydrophobicContact CG-CG 4.11Å; R96-W98 HydrophobicContact CG-CH2 4.31Å; R96-W98 HydrophobicContact CG-CZ2 3.72Å; R96-W98 VanDerWaalsContact NH1-CE3 3.29Å; R96-W98 PolarHBondContact O-N 3.49Å; R96-D100 IonicContact CZ-OD1 3.57Å; R96-D100 IonicContact CZ-OD2 3.79Å; R96-D100 IonicContact NH1-OD1 3.49Å; R96-D100 PolarHBondContact NH1-OD1 3.3Å; R96-D100 IonicContact NH1-OD2 3.84Å; R96-D100 PolarHBondContact NH1-OD2 2.9Å; R96-D100 IonicContact NH2-OD1 2.73Å; R96-D100 PolarHBondContact NH2-OD1 3.01Å; R96-D100 IonicContact NH2-OD2 3.91Å; R96-D100 PolarHBondContact NH2-OD2 3.42Å
97	N	96.3	Very high	94.8	Very high	116 Å²	116	51.3 Å²	51.3	62%	0.62	26%	0.262	S	S	*	.			trans	-74.3	113.6	167	-174.4	-4.4	0	0	0	110	Q99	N97-Q99 VanDerWaalsContact OD1-CB 3.26Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.06Å; N97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; N97-Q99 PolarHBondContact OD1-N 3.5Å
98	W	97.3	Very high	94.1	Very high	4 Å²	4	58 Å²	58	2%	0.015	29%	0.29	C	S	.	.			trans	-93.7	12.9	-178.5	-66.5	101.7	0	0	0	114.3	V55 Q58 C94 R96 D100 Y101 P135 L138 C142	V55-W98 HydrophobicContact CG2-CH2 4.13Å; Q58-W98 HydrophobicContact CB-CH2 4.05Å; Q58-W98 HydrophobicContact CB-CZ3 4.35Å; Q58-W98 HydrophobicContact CG-CH2 4.01Å; Q58-W98 HydrophobicContact CG-CZ3 3.79Å; C94-W98 PolarHBondContact O-NE1 2.98Å; C94-W98 VanDerWaalsContact O-NE1 3.11Å; R96-W98 HydrophobicContact CG-CD2 3.74Å; R96-W98 VanDerWaalsContact CG-CE2 3.41Å; R96-W98 HydrophobicContact CG-CE3 4.31Å; R96-W98 HydrophobicContact CG-CG 4.11Å; R96-W98 HydrophobicContact CG-CH2 4.31Å; R96-W98 HydrophobicContact CG-CZ2 3.72Å; R96-W98 VanDerWaalsContact NH1-CE3 3.29Å; R96-W98 PolarHBondContact O-N 3.49Å; W98-D100 PolarHBondContact O-N 3.08Å; W98-Y101 AromaticContact CE3-CD2 3.63Å; W98-Y101 HydrophobicContact CE3-CD2 3.63Å; W98-Y101 AromaticContact CE3-CE2 3.73Å; W98-Y101 HydrophobicContact CE3-CE2 3.73Å; W98-Y101 HydrophobicContact CE3-CG 4.46Å; W98-Y101 HydrophobicContact CZ3-CD2 4.15Å; W98-Y101 AromaticContact CZ3-CE2 3.82Å; W98-Y101 HydrophobicContact CZ3-CE2 3.82Å; W98-Y101 PolarHBondContact O-N 3.08Å; W98-Y101 VanDerWaalsContact O-N 3.1Å; W98-P135 HydrophobicContact CB-CB 3.91Å; W98-P135 HydrophobicContact CB-CG 4.42Å; W98-L138 HydrophobicContact CB-CB 4.43Å; W98-L138 HydrophobicContact CB-CD1 4.21Å; W98-L138 HydrophobicContact CD2-CB 3.67Å; W98-L138 HydrophobicContact CD2-CD1 4.27Å; W98-L138 HydrophobicContact CE3-CB 3.81Å; W98-L138 HydrophobicContact CE3-CD1 3.83Å; W98-L138 HydrophobicContact CE3-CG 4.26Å; W98-L138 HydrophobicContact CG-CB 3.97Å; W98-L138 HydrophobicContact CG-CD1 4.47Å; W98-L138 HydrophobicContact CZ3-CB 4.32Å; W98-C142 HydrophobicContact CZ2-CB 4.22Å
99	Q	96.1	Very high	93.5	Very high	93 Å²	93	58.7 Å²	58.7	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.6	-178.6	-66.1	-77.5	17.9	0	0	114	N97 Y101 T130 G131	N97-Q99 VanDerWaalsContact OD1-CB 3.26Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.06Å; N97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; N97-Q99 PolarHBondContact OD1-N 3.5Å; Q99-Y101 PolarHBondContact O-N 3.46Å; Q99-T130 WeakPolarHBondContact O-CB 3.32Å; Q99-T130 WeakPolarHBondContact O-CG2 3.46Å; Q99-G131 VanDerWaalsContact OE1-N 3.12Å
100	D	95.7	Very high	93.1	Very high	52 Å²	52	59.5 Å²	59.5	28%	0.278	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.1	172.8	58.7	-27.7	0	0	0	113.5	R96 W98 P115	R96-D100 IonicContact CZ-OD1 3.57Å; R96-D100 IonicContact CZ-OD2 3.79Å; R96-D100 IonicContact NH1-OD1 3.49Å; R96-D100 PolarHBondContact NH1-OD1 3.3Å; R96-D100 IonicContact NH1-OD2 3.84Å; R96-D100 PolarHBondContact NH1-OD2 2.9Å; R96-D100 IonicContact NH2-OD1 2.73Å; R96-D100 PolarHBondContact NH2-OD1 3.01Å; R96-D100 IonicContact NH2-OD2 3.91Å; R96-D100 PolarHBondContact NH2-OD2 3.42Å; W98-D100 PolarHBondContact O-N 3.08Å; D100-P115 HydrophobicContact CB-CG 4.36Å; D100-P115 WeakPolarHBondContact O-CD 3.25Å
101	Y	96.9	Very high	92.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.318	C	S	.	.			trans	-111.9	146.5	172.4	-66.3	-93.2	0	0	0	111.2	A54 Q58 W98 Q99 L112 T113 P115 L117 L138	A54-Y101 HydrophobicContact CB-CD1 3.81Å; A54-Y101 HydrophobicContact CB-CE1 3.31Å; Q58-Y101 HydrophobicContact CG-CE2 4.12Å; Q58-Y101 WeakPolarHBondContact CG-OH 3.34Å; Q58-Y101 PolarHBondContact NE2-OH 3Å; W98-Y101 AromaticContact CE3-CD2 3.63Å; W98-Y101 HydrophobicContact CE3-CD2 3.63Å; W98-Y101 AromaticContact CE3-CE2 3.73Å; W98-Y101 HydrophobicContact CE3-CE2 3.73Å; W98-Y101 HydrophobicContact CE3-CG 4.46Å; W98-Y101 HydrophobicContact CZ3-CD2 4.15Å; W98-Y101 AromaticContact CZ3-CE2 3.82Å; W98-Y101 HydrophobicContact CZ3-CE2 3.82Å; W98-Y101 PolarHBondContact O-N 3.08Å; W98-Y101 VanDerWaalsContact O-N 3.1Å; Q99-Y101 PolarHBondContact O-N 3.46Å; Y101-L112 HydrophobicContact CD1-CD2 4.44Å; Y101-T113 WeakPolarHBondContact CA-O 3.4Å; Y101-P115 WeakPolarHBondContact CE1-O 3.05Å; Y101-P115 PolarHBondContact OH-O 3.26Å; Y101-L117 HydrophobicContact CD1-CD1 4.21Å; Y101-L117 HydrophobicContact CE1-CD1 4.17Å; Y101-L117 HydrophobicContact CE1-CG 4.39Å; Y101-L138 HydrophobicContact CD2-CD1 4.32Å; Y101-L138 HydrophobicContact CG-CD1 3.92Å
102	G	94.9	Very high	92.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	177.1	177.6	0	0	0	0	0	111.8	L112 T113 V129	G102-L112 CarbonylContact O-C 3.5Å; G102-L112 WeakPolarHBondContact O-CA 3.47Å; G102-T113 PolarHBondContact N-O 3.35Å; G102-T113 WeakPolarHBondContact O-CG2 3.41Å; G102-T113 PolarHBondContact O-N 2.97Å; G102-V129 CarbonylContact C-O 3.52Å; G102-V129 WeakPolarHBondContact CA-O 3.41Å
103	V	94.4	Very high	92.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.4	176.8	174.9	0	0	0	0	109.8	P31 L47 K110 R111 L112 M128 V129 W134	P31-V103 WeakPolarHBondContact CG-O 3.36Å; L47-V103 HydrophobicContact CD1-CG2 3.76Å; V103-K110 HydrophobicContact CG1-CB 3.89Å; V103-K110 HydrophobicContact CG1-CG 4.36Å; V103-R111 WeakPolarHBondContact CA-O 3.42Å; V103-L112 HydrophobicContact CG2-CD1 4.09Å; V103-M128 CarbonylContact O-C 3.57Å; V103-M128 VanDerWaalsContact O-CA 3.23Å; V103-M128 WeakPolarHBondContact O-CA 3.28Å; V103-V129 PolarHBondContact N-O 3.44Å; V103-V129 PolarHBondContact O-N 3.25Å; V103-W134 HydrophobicContact CB-CH2 4.48Å; V103-W134 HydrophobicContact CB-CZ2 4.01Å; V103-W134 HydrophobicContact CG2-CD2 3.94Å; V103-W134 HydrophobicContact CG2-CE3 4.03Å; V103-W134 HydrophobicContact CG2-CH2 3.45Å; V103-W134 VanDerWaalsContact CG2-CH2 3.45Å; V103-W134 HydrophobicContact CG2-CZ2 3.34Å; V103-W134 HydrophobicContact CG2-CZ3 3.79Å
104	R	90.6	Very high	92.6	Very high	25 Å²	25	54.9 Å²	54.9	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	163.5	169.8	66.9	171.8	-177.9	-179.4	2.8	109.8	V106 K110 R111 T113 E122 S126 V127 M128	R104-V106 HydrophobicContact CG-CG2 4.06Å; R104-K110 CarbonylContact O-C 3.45Å; R104-K110 WeakPolarHBondContact O-CA 3.3Å; R104-R111 PolarHBondContact N-O 3.01Å; R104-R111 PolarHBondContact O-N 3.37Å; R104-T113 HydrophobicContact CB-CG2 4.16Å; R104-T113 HydrophobicContact CG-CG2 3.73Å; R104-E122 IonicContact CZ-OE1 3.42Å; R104-E122 IonicContact NH1-OE1 2.83Å; R104-E122 IonicContact NH1-OE2 3.67Å; R104-E122 IonicContact NH2-OE1 3.58Å; R104-E122 PolarHBondContact NH2-OE1 3.26Å; R104-E122 IonicContact NH2-OE2 2.7Å; R104-S126 PolarHBondContact NH1-OG 3.4Å; R104-V127 WeakPolarHBondContact CB-O 3.34Å; R104-M128 HydrophobicContact CB-CB 4.1Å
105	E	88.5	Confident	92.5	Very high	84 Å²	84	57.2 Å²	57.2	39%	0.393	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.7	171.8	-159.8	171.2	121.9	0	0	109.7	P31	P31-E105 HydrophobicContact CB-CB 4.2Å
106	V	83.4	Confident	92.4	Very high	50 Å²	50	53.7 Å²	53.7	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.7	173.9	-177.4	0	0	0	0	106.8	R104 Q108 V109	R104-V106 HydrophobicContact CG-CG2 4.06Å; V106-Q108 PolarHBondContact O-N 2.89Å; V106-V109 PolarHBondContact N-O 3.03Å; V106-V109 PolarHBondContact O-N 2.8Å; V106-V109 VanDerWaalsContact O-O 3.06Å
107	D	83.3	Confident	92.3	Very high	149 Å²	149	51.9 Å²	51.9	80%	0.797	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.5	-177.5	-55.8	-41.1	0	0	0	113	V109	D107-V109 PolarHBondContact O-N 3.43Å; D107-V109 VanDerWaalsContact O-N 3.13Å
108	Q	83.6	Confident	91.8	Very high	176 Å²	176	49.2 Å²	49.2	82%	0.822	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	7.3	-176.8	-54.9	178.4	-27.3	0	0	115.2	V106	V106-Q108 PolarHBondContact O-N 2.89Å
109	V	86.3	Confident	91	Very high	79 Å²	79	58.8 Å²	58.8	48%	0.479	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.9	176	-176.1	0	0	0	0	109.3	V106 D107	V106-V109 PolarHBondContact N-O 3.03Å; V106-V109 PolarHBondContact O-N 2.8Å; V106-V109 VanDerWaalsContact O-O 3.06Å; D107-V109 PolarHBondContact O-N 3.43Å; D107-V109 VanDerWaalsContact O-N 3.13Å
110	K	90.8	Very high	89.9	Confident	38 Å²	38	56.1 Å²	56.1	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.6	174.4	-63.9	171.1	-160.1	167	0	109.7	Q32 D34 E37 L47 V103 R104	Q32-K110 WeakPolarHBondContact O-CE 3.35Å; Q32-K110 PolarHBondContact O-NZ 3.28Å; D34-K110 IonicContact OD2-NZ 2.99Å; E37-K110 WeakPolarHBondContact OE1-CD 3.2Å; E37-K110 IonicContact OE1-NZ 3.64Å; E37-K110 WeakPolarHBondContact OE2-CD 3.47Å; E37-K110 IonicContact OE2-NZ 3.69Å; E37-K110 PolarHBondContact OE2-NZ 2.77Å; L47-K110 WeakPolarHBondContact CD2-O 3.29Å; V103-K110 HydrophobicContact CG1-CB 3.89Å; V103-K110 HydrophobicContact CG1-CG 4.36Å; R104-K110 CarbonylContact O-C 3.45Å; R104-K110 WeakPolarHBondContact O-CA 3.3Å
111	R	93.2	Very high	88.8	Confident	108 Å²	108	60.1 Å²	60.1	41%	0.408	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.5	-179.6	-59	-60.4	-65.9	-101.7	1.4	109.3	D50 V103 R104	D50-R111 IonicContact OD1-CZ 2.92Å; D50-R111 IonicContact OD1-NE 3.33Å; D50-R111 IonicContact OD1-NH2 3.38Å; D50-R111 PolarHBondContact OD1-NH2 3.32Å; D50-R111 IonicContact OD2-CZ 3.95Å; D50-R111 IonicContact OD2-NE 3.18Å; D50-R111 PolarHBondContact OD2-NE 2.94Å; D50-R111 IonicContact OD2-NH2 3.19Å; V103-R111 WeakPolarHBondContact CA-O 3.42Å; R104-R111 PolarHBondContact N-O 3.01Å; R104-R111 PolarHBondContact O-N 3.37Å
112	L	95.3	Very high	87.5	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.4	167.3	-170.1	83.2	0	0	0	107.1	L47 D50 A51 A54 Y101 G102 V103 L117 L138	L47-L112 HydrophobicContact CD2-CB 4.49Å; D50-L112 HydrophobicContact CB-CB 3.66Å; D50-L112 PolarHBondContact OD2-N 3.48Å; A51-L112 HydrophobicContact CB-CD2 4.21Å; A54-L112 HydrophobicContact CB-CD2 4.27Å; Y101-L112 HydrophobicContact CD1-CD2 4.44Å; G102-L112 CarbonylContact O-C 3.5Å; G102-L112 WeakPolarHBondContact O-CA 3.47Å; V103-L112 HydrophobicContact CG2-CD1 4.09Å; L112-L117 HydrophobicContact CB-CD1 4.44Å; L112-L117 HydrophobicContact CD2-CD1 4.2Å; L112-L117 HydrophobicContact CG-CD1 4.28Å; L112-L117 WeakPolarHBondContact O-CD1 3.06Å; L112-L138 HydrophobicContact CD2-CD1 4.49Å; L112-L138 HydrophobicContact CD2-CD2 3.87Å
113	T	94.2	Very high	86.2	Confident	13 Å²	13	70.3 Å²	70.3	8%	0.08	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.9	-179.1	-174	0	0	0	0	109.9	Y101 G102 R104 M128	Y101-T113 WeakPolarHBondContact CA-O 3.4Å; G102-T113 PolarHBondContact N-O 3.35Å; G102-T113 WeakPolarHBondContact O-CG2 3.41Å; G102-T113 PolarHBondContact O-N 2.97Å; R104-T113 HydrophobicContact CB-CG2 4.16Å; R104-T113 HydrophobicContact CG-CG2 3.73Å; T113-M128 HydrophobicContact CG2-CB 3.81Å; T113-M128 HydrophobicContact CG2-CG 4.38Å; T113-M128 HydrophobicContact CG2-SD 3.64Å
114	G	95	Very high	85.2	Confident	10 Å²	10	74.1 Å²	74.1	10%	0.103	41%	0.413	C	S	.	.	S	Bend	trans	155.1	-174.6	-177.6	0	0	0	0	0	111.4	G116 L117	G114-G116 PolarHBondContact O-N 2.88Å; G114-L117 PolarHBondContact O-N 3.32Å; G114-L117 VanDerWaalsContact O-N 3.17Å
115	P	95.4	Very high	84.5	Confident	48 Å²	48	78.4 Å²	78.4	31%	0.312	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	132.9	178.7	-27.1	36	0	0	0	112.6	Y57 D100 Y101 L117	Y57-P115 HydrophobicContact CD1-CB 4.21Å; Y57-P115 WeakPolarHBondContact CD1-O 3.46Å; Y57-P115 HydrophobicContact CE1-CB 3.68Å; D100-P115 HydrophobicContact CB-CG 4.36Å; D100-P115 WeakPolarHBondContact O-CD 3.25Å; Y101-P115 WeakPolarHBondContact CE1-O 3.05Å; Y101-P115 PolarHBondContact OH-O 3.26Å; P115-L117 VanDerWaalsContact C-N 3.33Å; P115-L117 PolarHBondContact O-N 2.04Å
116	G	93.9	Very high	83.9	Confident	23 Å²	23	76.9 Å²	76.9	24%	0.237	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-8.5	179.9	0	0	0	0	0	115.9	G114	G114-G116 PolarHBondContact O-N 2.88Å
117	L	93.8	Very high	84.1	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.084	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-27.9	-177.6	-61.3	-175.9	0	0	0	114.1	D50 R53 A54 Y101 L112 G114 P115	D50-L117 HydrophobicContact CB-CD1 4.32Å; D50-L117 VanDerWaalsContact O-CD2 3.31Å; D50-L117 WeakPolarHBondContact O-CD2 3.44Å; R53-L117 HydrophobicContact CB-CD2 3.5Å; R53-L117 VanDerWaalsContact CB-CD2 3.5Å; A54-L117 HydrophobicContact CB-CD1 4.24Å; A54-L117 HydrophobicContact CB-CD2 4.3Å; A54-L117 HydrophobicContact CB-CG 4.47Å; Y101-L117 HydrophobicContact CD1-CD1 4.21Å; Y101-L117 HydrophobicContact CE1-CD1 4.17Å; Y101-L117 HydrophobicContact CE1-CG 4.39Å; L112-L117 HydrophobicContact CB-CD1 4.44Å; L112-L117 HydrophobicContact CD2-CD1 4.2Å; L112-L117 HydrophobicContact CG-CD1 4.28Å; L112-L117 WeakPolarHBondContact O-CD1 3.06Å; G114-L117 PolarHBondContact O-N 3.32Å; G114-L117 VanDerWaalsContact O-N 3.17Å; P115-L117 VanDerWaalsContact C-N 3.33Å; P115-L117 PolarHBondContact O-N 2.04Å
118	S	85.9	Confident	84.4	Confident	61 Å²	61	74 Å²	74	43%	0.427	42%	0.419	S	S	.	.			trans	-76.4	141.3	-178.9	-35.8	0	0	0	0	112	G120	S118-G120 VanDerWaalsContact C-N 3.34Å
119	K	79.1	Confident	84.8	Confident	205 Å²	205	68 Å²	68	89%	0.891	39%	0.394	S	S	*	.	S	Bend	trans	-89.7	4.2	174.4	-66.3	-176.1	178.7	179.9	0	113.7
120	G	73.1	Confident	85.1	Confident	37 Å²	37	67 Å²	67	38%	0.381	39%	0.388	S	S	.	.	S	Bend	trans	160.4	-176.4	-177	0	0	0	0	0	111.9	S118 E122	S118-G120 VanDerWaalsContact C-N 3.34Å; G120-E122 PolarHBondContact O-N 3.49Å
121	P	73.4	Confident	85.2	Confident	135 Å²	135	65.5 Å²	65.5	88%	0.877	38%	0.384	S	S	*	.			trans	-63.2	126.9	171.3	25.3	-30.5	0	0	0	109.9
122	E	70	Confident	85	Confident	84 Å²	84	63.6 Å²	63.6	39%	0.393	40%	0.398	S	S	.	.			trans	-72	132.8	179.5	-65.9	-71.2	171.3	0	0	110	R104 G120 S124	R104-E122 IonicContact CZ-OE1 3.42Å; R104-E122 IonicContact NH1-OE1 2.83Å; R104-E122 IonicContact NH1-OE2 3.67Å; R104-E122 IonicContact NH2-OE1 3.58Å; R104-E122 PolarHBondContact NH2-OE1 3.26Å; R104-E122 IonicContact NH2-OE2 2.7Å; G120-E122 PolarHBondContact O-N 3.49Å; E122-S124 PolarHBondContact O-N 3.34Å
123	P	67.4	Low	84.9	Confident	130 Å²	130	65.1 Å²	65.1	84%	0.844	41%	0.408	S	S	*	.	S	Bend	trans	-72.1	-15.9	-176	28.4	-34.3	0	0	0	113.2
124	S	72.1	Confident	85	Confident	80 Å²	80	64.6 Å²	64.6	56%	0.559	41%	0.405	S	S	*	.	S	Bend	trans	-130.2	150.2	-174.4	55.9	0	0	0	0	112.5	E122 S126	E122-S124 PolarHBondContact O-N 3.34Å; S124-S126 PolarHBondContact O-N 2.61Å
125	I	77.2	Confident	85.1	Confident	115 Å²	115	65.3 Å²	65.3	59%	0.59	41%	0.407	S	S	*	.			trans	-65.9	120.3	170.8	-60.9	173.5	0	0	0	108.3	L26	L26-I125 HydrophobicContact CD1-CD1 3.73Å; L26-I125 HydrophobicContact CD2-CD1 4.11Å; L26-I125 HydrophobicContact CG-CD1 4.37Å
126	S	76.5	Confident	85.1	Confident	52 Å²	52	67 Å²	67	36%	0.364	42%	0.416	S	S	.	.			trans	-117.5	136.8	173.3	68.5	0	0	0	0	110.6	R104 S124	R104-S126 PolarHBondContact NH1-OG 3.4Å; S124-S126 PolarHBondContact O-N 2.61Å
127	V	86.3	Confident	85.2	Confident	58 Å²	58	66 Å²	66	35%	0.352	41%	0.406	S	S	.	.			trans	-89.2	131.7	171.9	180	0	0	0	0	108.7	A28 A30 R104	A28-V127 HydrophobicContact CB-CG2 3.72Å; A30-V127 HydrophobicContact CB-CG1 4.25Å; R104-V127 WeakPolarHBondContact CB-O 3.34Å
128	M	90.8	Very high	85.4	Confident	82 Å²	82	65.2 Å²	65.2	40%	0.404	40%	0.402	S	S	.	.			trans	-117.9	144.5	172	72.2	-176	-176.6	0	0	110.7	V103 R104 T113 T130	V103-M128 CarbonylContact O-C 3.57Å; V103-M128 VanDerWaalsContact O-CA 3.23Å; V103-M128 WeakPolarHBondContact O-CA 3.28Å; R104-M128 HydrophobicContact CB-CB 4.1Å; T113-M128 HydrophobicContact CG2-CB 3.81Å; T113-M128 HydrophobicContact CG2-CG 4.38Å; T113-M128 HydrophobicContact CG2-SD 3.64Å; M128-T130 HydrophobicContact CE-CG2 3.66Å; M128-T130 HydrophobicContact CG-CG2 3.95Å; M128-T130 HydrophobicContact SD-CG2 4.18Å
129	V	91.6	Very high	86	Confident	48 Å²	48	63.6 Å²	63.6	29%	0.291	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.6	173	179.2	0	0	0	0	108.2	P31 G102 V103	P31-V129 HydrophobicContact CG-CB 4.47Å; P31-V129 HydrophobicContact CG-CG2 3.77Å; G102-V129 CarbonylContact C-O 3.52Å; G102-V129 WeakPolarHBondContact CA-O 3.41Å; V103-V129 PolarHBondContact N-O 3.44Å; V103-V129 PolarHBondContact O-N 3.25Å
130	T	92.8	Very high	86.9	Confident	58 Å²	58	59.7 Å²	59.7	36%	0.356	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	173.8	175.9	66.1	0	0	0	0	111.1	Q99 M128	Q99-T130 WeakPolarHBondContact O-CB 3.32Å; Q99-T130 WeakPolarHBondContact O-CG2 3.46Å; M128-T130 HydrophobicContact CE-CG2 3.66Å; M128-T130 HydrophobicContact CG-CG2 3.95Å; M128-T130 HydrophobicContact SD-CG2 4.18Å
131	G	91.4	Very high	88	Confident	8 Å²	8	59 Å²	59	8%	0.082	36%	0.358	C	S	.	.	S	Bend	trans	70.4	-148.7	178.4	0	0	0	0	0	113.4	Q99 W134 P135	Q99-G131 VanDerWaalsContact OE1-N 3.12Å; G131-W134 PolarHBondContact O-N 3.37Å; G131-W134 VanDerWaalsContact O-N 3.13Å; G131-P135 VanDerWaalsContact O-CD 3.26Å; G131-P135 WeakPolarHBondContact O-CD 3.39Å
132	G	90.6	Very high	89.2	Confident	68 Å²	68	52.5 Å²	52.5	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-128.3	-176	0	0	0	0	0	111.7
133	P	93.4	Very high	90.6	Very high	37 Å²	37	52.7 Å²	52.7	24%	0.24	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.5	-178.5	32.7	-35.5	0	0	0	113.9	T136 R137	P133-T136 PolarHBondContact O-N 3.1Å; P133-R137 VanDerWaalsContact O-CG 3.3Å; P133-R137 WeakPolarHBondContact O-CG 3.49Å; P133-R137 PolarHBondContact O-N 2.97Å
134	W	95.3	Very high	92	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-44.9	-170.6	-52.8	119.5	0	0	0	114	L33 E37 M43 P44 L47 V103 G131 T136 R137 L138	L33-W134 HydrophobicContact CD1-CZ2 4.4Å; L33-W134 HydrophobicContact CD2-CZ2 4.09Å; E37-W134 HydrophobicContact CB-CH2 4.25Å; E37-W134 HydrophobicContact CG-CH2 4.23Å; M43-W134 HydrophobicContact SD-CZ3 4.36Å; P44-W134 HydrophobicContact CG-CH2 4.37Å; P44-W134 HydrophobicContact CG-CZ3 4.27Å; L47-W134 HydrophobicContact CD1-CH2 3.65Å; L47-W134 HydrophobicContact CD1-CZ3 3.53Å; V103-W134 HydrophobicContact CB-CH2 4.48Å; V103-W134 HydrophobicContact CB-CZ2 4.01Å; V103-W134 HydrophobicContact CG2-CD2 3.94Å; V103-W134 HydrophobicContact CG2-CE3 4.03Å; V103-W134 HydrophobicContact CG2-CH2 3.45Å; V103-W134 VanDerWaalsContact CG2-CH2 3.45Å; V103-W134 HydrophobicContact CG2-CZ2 3.34Å; V103-W134 HydrophobicContact CG2-CZ3 3.79Å; G131-W134 PolarHBondContact O-N 3.37Å; G131-W134 VanDerWaalsContact O-N 3.13Å; W134-T136 VanDerWaalsContact C-N 3.34Å; W134-T136 PolarHBondContact O-N 3.41Å; W134-R137 PolarHBondContact O-N 2.98Å; W134-L138 PolarHBondContact O-N 2.86Å
135	P	96.5	Very high	93.2	Very high	25 Å²	25	49.4 Å²	49.4	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-44	177	-28.3	37.6	0	0	0	113.5	W98 G131 L138 S139	W98-P135 HydrophobicContact CB-CB 3.91Å; W98-P135 HydrophobicContact CB-CG 4.42Å; G131-P135 VanDerWaalsContact O-CD 3.26Å; G131-P135 WeakPolarHBondContact O-CD 3.39Å; P135-L138 PolarHBondContact O-N 3.17Å; P135-S139 WeakPolarHBondContact O-CB 3.21Å; P135-S139 PolarHBondContact O-N 3.23Å
136	T	95.9	Very high	94.2	Very high	82 Å²	82	44.2 Å²	44.2	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.3	-58.6	0	0	0	0	111.1	P133 W134 L138 S139 R140	P133-T136 PolarHBondContact O-N 3.1Å; W134-T136 VanDerWaalsContact C-N 3.34Å; W134-T136 PolarHBondContact O-N 3.41Å; T136-L138 PolarHBondContact O-N 3.48Å; T136-S139 PolarHBondContact O-N 2.95Å; T136-R140 HydrophobicContact CG2-CG 4.45Å; T136-R140 WeakPolarHBondContact O-CB 3.35Å; T136-R140 VanDerWaalsContact O-CG 3.26Å; T136-R140 WeakPolarHBondContact O-CG 3.31Å; T136-R140 PolarHBondContact O-N 3.2Å
137	R	96.8	Very high	95.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-70.9	171.3	179.1	159.8	3.7	111.9	E36 E37 S40 H42 M43 P133 W134 T141	E36-R137 PolarHBondContact O-NH2 2.69Å; E37-R137 VanDerWaalsContact C-NH2 3.25Å; E37-R137 VanDerWaalsContact O-CZ 3.24Å; E37-R137 PolarHBondContact O-NH1 3.18Å; E37-R137 PolarHBondContact O-NH2 2.74Å; S40-R137 VanDerWaalsContact O-CZ 3.28Å; S40-R137 PolarHBondContact O-NE 3.08Å; S40-R137 PolarHBondContact O-NH2 2.99Å; H42-R137 WeakPolarHBondContact O-CD 3.25Å; H42-R137 PolarHBondContact O-NE 3.46Å; M43-R137 HydrophobicContact CE-CB 3.57Å; M43-R137 HydrophobicContact SD-CB 4.35Å; P133-R137 VanDerWaalsContact O-CG 3.3Å; P133-R137 WeakPolarHBondContact O-CG 3.49Å; P133-R137 PolarHBondContact O-N 2.97Å; W134-R137 PolarHBondContact O-N 2.98Å; R137-T141 WeakPolarHBondContact O-CB 3.41Å; R137-T141 PolarHBondContact O-N 3.26Å; R137-T141 PolarHBondContact O-OG1 3.37Å
138	L	98.1	Very high	95.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-44.7	178.1	-76.2	164.2	0	0	0	112.2	M43 A51 A54 W98 Y101 L112 W134 P135 T136 R140 T141 C142	M43-L138 HydrophobicContact CE-CD2 3.96Å; M43-L138 HydrophobicContact CE-CG 3.99Å; A51-L138 HydrophobicContact CB-CD2 4.12Å; A54-L138 HydrophobicContact CB-CD2 4.24Å; W98-L138 HydrophobicContact CB-CB 4.43Å; W98-L138 HydrophobicContact CB-CD1 4.21Å; W98-L138 HydrophobicContact CD2-CB 3.67Å; W98-L138 HydrophobicContact CD2-CD1 4.27Å; W98-L138 HydrophobicContact CE3-CB 3.81Å; W98-L138 HydrophobicContact CE3-CD1 3.83Å; W98-L138 HydrophobicContact CE3-CG 4.26Å; W98-L138 HydrophobicContact CG-CB 3.97Å; W98-L138 HydrophobicContact CG-CD1 4.47Å; W98-L138 HydrophobicContact CZ3-CB 4.32Å; Y101-L138 HydrophobicContact CD2-CD1 4.32Å; Y101-L138 HydrophobicContact CG-CD1 3.92Å; L112-L138 HydrophobicContact CD2-CD1 4.49Å; L112-L138 HydrophobicContact CD2-CD2 3.87Å; W134-L138 PolarHBondContact O-N 2.86Å; P135-L138 PolarHBondContact O-N 3.17Å; T136-L138 PolarHBondContact O-N 3.48Å; L138-R140 PolarHBondContact O-N 3.37Å; L138-T141 PolarHBondContact O-N 2.88Å; L138-C142 WeakPolarHBondContact O-CB 3.41Å; L138-C142 PolarHBondContact O-N 2.97Å
139	S	97.8	Very high	96	Very high	28 Å²	28	45.6 Å²	45.6	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-45.4	175.5	-175.4	0	0	0	0	111.7	C94 P135 T136 T141 C142 L143	C94-S139 WeakPolarHBondContact O-CB 3.34Å; C94-S139 PolarHBondContact O-OG 3.13Å; P135-S139 WeakPolarHBondContact O-CB 3.21Å; P135-S139 PolarHBondContact O-N 3.23Å; T136-S139 PolarHBondContact O-N 2.95Å; S139-T141 PolarHBondContact O-N 3.32Å; S139-C142 WeakPolarHBondContact O-CB 3.42Å; S139-C142 PolarHBondContact O-N 3.33Å; S139-L143 WeakPolarHBondContact O-CG 3.49Å; S139-L143 PolarHBondContact O-N 3.01Å
140	R	97.4	Very high	96.3	Very high	122 Å²	122	44.3 Å²	44.3	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-39.8	175.9	-71	178.6	78.7	168.9	7.3	112.9	T136 L138 C142 H144	T136-R140 HydrophobicContact CG2-CG 4.45Å; T136-R140 WeakPolarHBondContact O-CB 3.35Å; T136-R140 VanDerWaalsContact O-CG 3.26Å; T136-R140 WeakPolarHBondContact O-CG 3.31Å; T136-R140 PolarHBondContact O-N 3.2Å; L138-R140 PolarHBondContact O-N 3.37Å; R140-C142 VanDerWaalsContact C-N 3.33Å; R140-H144 WeakPolarHBondContact O-CB 3.49Å; R140-H144 PolarHBondContact O-N 2.73Å
141	T	97.8	Very high	96.6	Very high	22 Å²	22	44 Å²	44	14%	0.135	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175.6	-57.4	0	0	0	0	110.6	V55 R137 L138 S139 H144 Y145	V55-T141 HydrophobicContact CG2-CG2 4.31Å; R137-T141 WeakPolarHBondContact O-CB 3.41Å; R137-T141 PolarHBondContact O-N 3.26Å; R137-T141 PolarHBondContact O-OG1 3.37Å; L138-T141 PolarHBondContact O-N 2.88Å; S139-T141 PolarHBondContact O-N 3.32Å; T141-H144 WeakPolarHBondContact O-CB 3.25Å; T141-H144 PolarHBondContact O-N 3.3Å; T141-Y145 HydrophobicContact CG2-CD2 4.05Å; T141-Y145 HydrophobicContact CG2-CE2 3.54Å; T141-Y145 WeakPolarHBondContact O-CD2 3.4Å; T141-Y145 PolarHBondContact O-N 3.24Å; T141-Y145 VanDerWaalsContact O-N 3.13Å
142	C	98.5	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-49.6	176.8	-174.2	0	0	0	0	112.6	V55 M59 C94 W98 L138 S139 R140 H144 Y145 L146	V55-C142 HydrophobicContact CG1-CB 3.91Å; V55-C142 HydrophobicContact CG2-CB 3.91Å; M59-C142 VanDerWaalsContact CE-SG 3.53Å; C94-C142 WeakPolarHBondContact CA-SG 3.36Å; C94-C142 HydrophobicContact CB-CB 3.63Å; C94-C142 WeakPolarHBondContact CB-SG 3.35Å; C94-C142 WeakPolarHBondContact SG-CB 3.42Å; C94-C142 CovalentContact SG-SG 2.04Å; C94-C142 PolarHBondContact SG-SG 2.81Å; W98-C142 HydrophobicContact CZ2-CB 4.22Å; L138-C142 WeakPolarHBondContact O-CB 3.41Å; L138-C142 PolarHBondContact O-N 2.97Å; S139-C142 WeakPolarHBondContact O-CB 3.42Å; S139-C142 PolarHBondContact O-N 3.33Å; R140-C142 VanDerWaalsContact C-N 3.33Å; C142-H144 VanDerWaalsContact C-N 3.26Å; C142-H144 PolarHBondContact O-N 2.7Å; C142-Y145 PolarHBondContact O-N 2.96Å; C142-Y145 VanDerWaalsContact O-N 3.14Å; C142-L146 PolarHBondContact O-N 3.47Å
143	L	98.2	Very high	97.3	Very high	88 Å²	88	49.9 Å²	49.9	46%	0.461	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-35.5	177.5	-69	168.4	0	0	0	112.2	C94 S139 L146 G147	C94-L143 HydrophobicContact CB-CD2 3.85Å; C94-L143 HydrophobicContact CB-CG 3.97Å; S139-L143 WeakPolarHBondContact O-CG 3.49Å; S139-L143 PolarHBondContact O-N 3.01Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-G147 PolarHBondContact O-N 3.45Å; L143-G147 VanDerWaalsContact O-N 3.1Å
144	H	97.5	Very high	97.5	Very high	121 Å²	121	48.1 Å²	48.1	56%	0.56	26%	0.261	S	S	*	.	H	α-helix	trans	-62	-44.9	174.9	-178.1	52.5	0	0	0	111.5	R140 T141 C142 G147 E148	R140-H144 WeakPolarHBondContact O-CB 3.49Å; R140-H144 PolarHBondContact O-N 2.73Å; T141-H144 WeakPolarHBondContact O-CB 3.25Å; T141-H144 PolarHBondContact O-N 3.3Å; C142-H144 VanDerWaalsContact C-N 3.26Å; C142-H144 PolarHBondContact O-N 2.7Å; H144-G147 PolarHBondContact O-N 3.48Å; H144-E148 IonicContact NE2-OE2 3.58Å; H144-E148 WeakPolarHBondContact O-CB 3.38Å; H144-E148 PolarHBondContact O-N 2.95Å
145	Y	97.8	Very high	97.7	Very high	20 Å²	20	48.8 Å²	48.8	8%	0.078	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.6	-70.9	-41.4	0	0	0	113.7	C52 V55 T141 C142 G147 E148 F149 L169	C52-Y145 HydrophobicContact CB-CE2 4.01Å; C52-Y145 WeakPolarHBondContact CB-OH 3.28Å; C52-Y145 PolarHBondContact SG-OH 3.28Å; C52-Y145 VanDerWaalsContact SG-OH 3.36Å; V55-Y145 HydrophobicContact CB-CD2 4.37Å; V55-Y145 HydrophobicContact CG1-CD2 4.04Å; T141-Y145 HydrophobicContact CG2-CD2 4.05Å; T141-Y145 HydrophobicContact CG2-CE2 3.54Å; T141-Y145 WeakPolarHBondContact O-CD2 3.4Å; T141-Y145 PolarHBondContact O-N 3.24Å; T141-Y145 VanDerWaalsContact O-N 3.13Å; C142-Y145 PolarHBondContact O-N 2.96Å; C142-Y145 VanDerWaalsContact O-N 3.14Å; Y145-G147 VanDerWaalsContact C-N 3.31Å; Y145-G147 PolarHBondContact O-N 2.94Å; Y145-E148 PolarHBondContact O-N 3.5Å; Y145-F149 HydrophobicContact CD1-CD2 4.12Å; Y145-F149 AromaticContact CD1-CE2 3.63Å; Y145-F149 HydrophobicContact CD1-CE2 3.63Å; Y145-F149 HydrophobicContact CE1-CE2 4.18Å; Y145-F149 HydrophobicContact CG-CE2 4.44Å; Y145-F149 WeakPolarHBondContact O-CD2 3.13Å; Y145-F149 PolarHBondContact O-N 2.82Å; Y145-L169 HydrophobicContact CG-CD2 4.4Å
146	L	97.9	Very high	97.8	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-46.5	170.9	-68.1	-178.7	0	0	0	111	M59 L90 C94 C142 L143 E148 G150 E151 I154	M59-L146 HydrophobicContact CE-CD2 3.48Å; M59-L146 VanDerWaalsContact CE-CD2 3.48Å; M59-L146 HydrophobicContact CE-CG 3.78Å; L90-L146 HydrophobicContact CB-CD2 3.85Å; L90-L146 HydrophobicContact CD2-CD2 4.44Å; C94-L146 WeakPolarHBondContact SG-CD1 3.36Å; C142-L146 PolarHBondContact O-N 3.47Å; L143-L146 PolarHBondContact O-N 3.45Å; L146-E148 PolarHBondContact O-N 3.11Å; L146-G150 WeakPolarHBondContact O-CA 3.42Å; L146-G150 PolarHBondContact O-N 3.29Å; L146-E151 HydrophobicContact CD2-CG 4.36Å; L146-I154 HydrophobicContact CD2-CD1 3.78Å
147	G	97.5	Very high	97.9	Very high	72 Å²	72	50 Å²	50	74%	0.742	26%	0.263	S	S	*	.	H	α-helix	trans	-70.1	-27.8	178.7	0	0	0	0	0	114.8	L143 H144 Y145	L143-G147 PolarHBondContact O-N 3.45Å; L143-G147 VanDerWaalsContact O-N 3.1Å; H144-G147 PolarHBondContact O-N 3.48Å; Y145-G147 VanDerWaalsContact C-N 3.31Å; Y145-G147 PolarHBondContact O-N 2.94Å
148	E	96.8	Very high	97.9	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-79.8	-47.4	-179.2	-178.1	175.6	-164.3	0	0	112.4	H144 Y145 L146	H144-E148 IonicContact NE2-OE2 3.58Å; H144-E148 WeakPolarHBondContact O-CB 3.38Å; H144-E148 PolarHBondContact O-N 2.95Å; Y145-E148 PolarHBondContact O-N 3.5Å; L146-E148 PolarHBondContact O-N 3.11Å
149	F	97.2	Very high	97.8	Very high	36 Å²	36	54.3 Å²	54.3	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-98.2	-27.9	-174	-64.4	-80	0	0	0	113.1	Y145 Q153 I154 L168 L169	Y145-F149 HydrophobicContact CD1-CD2 4.12Å; Y145-F149 AromaticContact CD1-CE2 3.63Å; Y145-F149 HydrophobicContact CD1-CE2 3.63Å; Y145-F149 HydrophobicContact CE1-CE2 4.18Å; Y145-F149 HydrophobicContact CG-CE2 4.44Å; Y145-F149 WeakPolarHBondContact O-CD2 3.13Å; Y145-F149 PolarHBondContact O-N 2.82Å; F149-Q153 WeakPolarHBondContact O-CB 3.42Å; F149-Q153 WeakPolarHBondContact O-CG 3.45Å; F149-Q153 PolarHBondContact O-OE1 3.33Å; F149-Q153 VanDerWaalsContact O-OE1 3.13Å; F149-I154 HydrophobicContact CB-CD1 4.17Å; F149-I154 HydrophobicContact CB-CG1 4.02Å; F149-L168 HydrophobicContact CD1-CD1 3.76Å; F149-L168 HydrophobicContact CD1-CD2 4.43Å; F149-L168 HydrophobicContact CD1-CG 3.9Å; F149-L168 HydrophobicContact CE1-CD1 3.95Å; F149-L168 HydrophobicContact CE1-CG 4.13Å; F149-L168 VanDerWaalsContact CE1-O 3.28Å; F149-L168 WeakPolarHBondContact CE1-O 3.44Å; F149-L168 HydrophobicContact CG-CG 4.45Å; F149-L168 VanDerWaalsContact CZ-O 3.25Å; F149-L168 WeakPolarHBondContact CZ-O 3.43Å; F149-L169 HydrophobicContact CB-CD2 4.45Å; F149-L169 HydrophobicContact CD2-CD2 3.32Å; F149-L169 HydrophobicContact CE2-CD2 3.61Å; F149-L169 HydrophobicContact CG-CD2 3.91Å; F149-L169 HydrophobicContact CZ-CD2 4.38Å
150	G	97.8	Very high	97.7	Very high	22 Å²	22	59.4 Å²	59.4	23%	0.227	30%	0.304	C	S	.	.			trans	77.4	152	-171.7	0	0	0	0	0	113	L146 D152 I154	L146-G150 WeakPolarHBondContact O-CA 3.42Å; L146-G150 PolarHBondContact O-N 3.29Å; G150-D152 VanDerWaalsContact C-N 3.34Å; G150-D152 PolarHBondContact O-N 3.17Å; G150-I154 WeakPolarHBondContact O-CD1 3.26Å; G150-I154 VanDerWaalsContact O-CG1 3.28Å; G150-I154 WeakPolarHBondContact O-CG1 3.43Å; G150-I154 PolarHBondContact O-N 3.33Å
151	E	98.6	Very high	97.6	Very high	51 Å²	51	54.9 Å²	54.9	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-37.1	-174.9	-64.7	85.2	172.1	0	0	112.3	Y86 T87 L90 L146 I154 Y155	Y86-E151 HydrophobicContact CD2-CB 4.32Å; Y86-E151 HydrophobicContact CE2-CB 4.23Å; T87-E151 HydrophobicContact CG2-CG 4.08Å; L90-E151 HydrophobicContact CB-CG 4.32Å; L90-E151 HydrophobicContact CD1-CB 3.76Å; L90-E151 HydrophobicContact CD1-CG 4.01Å; L146-E151 HydrophobicContact CD2-CG 4.36Å; E151-I154 PolarHBondContact O-N 2.95Å; E151-Y155 WeakPolarHBondContact O-CB 3.43Å; E151-Y155 PolarHBondContact O-N 3.06Å
152	D	98.3	Very high	97.6	Very high	92 Å²	92	57 Å²	57	49%	0.492	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-48.9	-179.6	-61.8	-4.2	0	0	0	111.5	Y86 G150 Y155 E156	Y86-D152 PolarHBondContact OH-OD1 3.38Å; G150-D152 VanDerWaalsContact C-N 3.34Å; G150-D152 PolarHBondContact O-N 3.17Å; D152-Y155 PolarHBondContact O-N 2.95Å; D152-E156 WeakPolarHBondContact O-CB 3.33Å; D152-E156 PolarHBondContact O-N 2.76Å
153	Q	98.3	Very high	97.4	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-67.4	-39.3	179.9	-62.3	-177	13.8	0	0	111.2	F149 Y155 E156 A157 L168	F149-Q153 WeakPolarHBondContact O-CB 3.42Å; F149-Q153 WeakPolarHBondContact O-CG 3.45Å; F149-Q153 PolarHBondContact O-OE1 3.33Å; F149-Q153 VanDerWaalsContact O-OE1 3.13Å; Q153-Y155 VanDerWaalsContact C-N 3.33Å; Q153-E156 PolarHBondContact O-N 2.81Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.42Å; Q153-L168 HydrophobicContact CB-CD2 4.43Å
154	I	98.6	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-43.2	175.7	-72.5	170.5	0	0	0	110.4	M59 L90 L146 F149 G150 E151 A157 H158 L165 L168 L169	M59-I154 HydrophobicContact CE-CD1 4.4Å; M59-I154 HydrophobicContact SD-CD1 4.23Å; M59-I154 HydrophobicContact SD-CG2 4.09Å; L90-I154 HydrophobicContact CD1-CB 4.13Å; L90-I154 HydrophobicContact CD1-CG2 3.7Å; L90-I154 HydrophobicContact CD2-CG2 3.56Å; L90-I154 HydrophobicContact CG-CG2 4.3Å; L146-I154 HydrophobicContact CD2-CD1 3.78Å; F149-I154 HydrophobicContact CB-CD1 4.17Å; F149-I154 HydrophobicContact CB-CG1 4.02Å; G150-I154 WeakPolarHBondContact O-CD1 3.26Å; G150-I154 VanDerWaalsContact O-CG1 3.28Å; G150-I154 WeakPolarHBondContact O-CG1 3.43Å; G150-I154 PolarHBondContact O-N 3.33Å; E151-I154 PolarHBondContact O-N 2.95Å; I154-A157 PolarHBondContact O-N 2.83Å; I154-H158 WeakPolarHBondContact O-CB 3.38Å; I154-H158 PolarHBondContact O-N 3.19Å; I154-L165 HydrophobicContact CB-CD1 4.38Å; I154-L165 HydrophobicContact CG1-CD1 4.49Å; I154-L165 HydrophobicContact CG2-CD1 3.81Å; I154-L168 HydrophobicContact CG1-CD2 4.36Å; I154-L169 HydrophobicContact CD1-CD2 4.32Å; I154-L169 HydrophobicContact CG1-CD2 4.16Å
155	Y	98.5	Very high	97.4	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-40.5	178.2	-170.9	-118.6	0	0	0	112.1	L63 E67 L81 Y86 E151 D152 Q153 A157 H158 Q159	L63-Y155 HydrophobicContact CD1-CD2 4.03Å; L63-Y155 HydrophobicContact CD2-CD2 3.78Å; L63-Y155 HydrophobicContact CD2-CE2 4.04Å; L63-Y155 HydrophobicContact CG-CD2 4.46Å; E67-Y155 WeakPolarHBondContact OE1-CE2 3.43Å; E67-Y155 PolarHBondContact OE1-OH 3.24Å; L81-Y155 HydrophobicContact CB-CE1 4.48Å; L81-Y155 HydrophobicContact CB-CE2 4.23Å; L81-Y155 WeakPolarHBondContact CB-OH 3.34Å; L81-Y155 HydrophobicContact CD1-CE2 3.91Å; L81-Y155 HydrophobicContact CG-CE2 4.13Å; L81-Y155 PolarHBondContact N-OH 2.8Å; Y86-Y155 AromaticContact CD1-CD1 3.27Å; Y86-Y155 HydrophobicContact CD1-CD1 3.27Å; Y86-Y155 HydrophobicContact CD1-CD2 4.17Å; Y86-Y155 AromaticContact CD1-CE1 3.55Å; Y86-Y155 HydrophobicContact CD1-CE1 3.55Å; Y86-Y155 HydrophobicContact CD1-CE2 4.43Å; Y86-Y155 AromaticContact CD1-CG 3.61Å; Y86-Y155 HydrophobicContact CD1-CG 3.61Å; Y86-Y155 HydrophobicContact CD2-CD1 4.49Å; Y86-Y155 HydrophobicContact CD2-CG 4.13Å; Y86-Y155 AromaticContact CE1-CD1 3.46Å; Y86-Y155 HydrophobicContact CE1-CD1 3.46Å; Y86-Y155 VanDerWaalsContact CE1-CD1 3.46Å; Y86-Y155 AromaticContact CE1-CE1 3.95Å; Y86-Y155 HydrophobicContact CE1-CE1 3.95Å; Y86-Y155 HydrophobicContact CE1-CG 4.06Å; Y86-Y155 AromaticContact CG-CD1 3.84Å; Y86-Y155 HydrophobicContact CG-CD1 3.84Å; Y86-Y155 AromaticContact CG-CD2 3.99Å; Y86-Y155 HydrophobicContact CG-CD2 3.99Å; Y86-Y155 HydrophobicContact CG-CE1 4.34Å; Y86-Y155 AromaticContact CG-CG 3.64Å; Y86-Y155 HydrophobicContact CG-CG 3.64Å; E151-Y155 WeakPolarHBondContact O-CB 3.43Å; E151-Y155 PolarHBondContact O-N 3.06Å; D152-Y155 PolarHBondContact O-N 2.95Å; Q153-Y155 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 3.1Å; Y155-H158 AromaticContact CE2-CD2 3.8Å; Y155-H158 WeakPolarHBondContact O-CB 3Å; Y155-H158 PolarHBondContact O-N 2.73Å; Y155-Q159 HydrophobicContact CE1-CG 4.45Å; Y155-Q159 PolarHBondContact O-N 3.05Å; Y155-Q159 PolarHBondContact OH-NE2 3.07Å
156	E	98.1	Very high	97.4	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-43.5	174.4	-173.6	179.1	-171.9	0	0	111.7	D152 Q153 H158 Q159 Q160	D152-E156 WeakPolarHBondContact O-CB 3.33Å; D152-E156 PolarHBondContact O-N 2.76Å; Q153-E156 PolarHBondContact O-N 2.81Å; E156-H158 VanDerWaalsContact C-N 3.33Å; E156-H158 PolarHBondContact O-N 3.49Å; E156-Q159 WeakPolarHBondContact O-CB 3.42Å; E156-Q159 PolarHBondContact O-N 2.67Å; E156-Q160 PolarHBondContact O-N 2.99Å
157	A	98.1	Very high	97.4	Very high	8 Å²	8	55.3 Å²	55.3	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-36	175	0	0	0	0	0	112.1	Q153 I154 Y155 Q159 Q160 G161 A164 L165 L168	Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.42Å; I154-A157 PolarHBondContact O-N 2.83Å; Y155-A157 PolarHBondContact O-N 3.1Å; A157-Q159 VanDerWaalsContact C-N 3.33Å; A157-Q159 PolarHBondContact O-N 3.06Å; A157-Q160 WeakPolarHBondContact O-CB 3.3Å; A157-Q160 PolarHBondContact O-N 3.33Å; A157-Q160 VanDerWaalsContact O-N 3.13Å; A157-G161 PolarHBondContact O-N 3.39Å; A157-A164 WeakPolarHBondContact O-CB 3.35Å; A157-L165 HydrophobicContact CB-CB 4.39Å; A157-L165 HydrophobicContact CB-CD1 4.31Å; A157-L168 HydrophobicContact CB-CB 4.16Å; A157-L168 HydrophobicContact CB-CD2 3.65Å
158	H	97.4	Very high	97.4	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.046	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-41.3	171.9	164.8	82.2	0	0	0	112.1	W60 L63 E67 I154 Y155 E156 Q160 G161 L165	W60-H158 AromaticContact CD1-CE1 3.73Å; W60-H158 AromaticContact CD1-ND1 3.29Å; W60-H158 VanDerWaalsContact CD1-ND1 3.29Å; L63-H158 HydrophobicContact CD1-CB 3.7Å; E67-H158 VanDerWaalsContact CD-NE2 3.28Å; E67-H158 IonicContact OE1-CD2 3.57Å; E67-H158 IonicContact OE1-NE2 2.86Å; E67-H158 PolarHBondContact OE1-NE2 3.16Å; E67-H158 IonicContact OE2-CD2 2.83Å; E67-H158 IonicContact OE2-CE1 3.55Å; E67-H158 IonicContact OE2-NE2 3.18Å; E67-H158 PolarHBondContact OE2-NE2 2.73Å; I154-H158 WeakPolarHBondContact O-CB 3.38Å; I154-H158 PolarHBondContact O-N 3.19Å; Y155-H158 AromaticContact CE2-CD2 3.8Å; Y155-H158 WeakPolarHBondContact O-CB 3Å; Y155-H158 PolarHBondContact O-N 2.73Å; E156-H158 VanDerWaalsContact C-N 3.33Å; E156-H158 PolarHBondContact O-N 3.49Å; H158-Q160 PolarHBondContact O-N 3.25Å; H158-G161 WeakPolarHBondContact O-CA 3.36Å; H158-G161 PolarHBondContact O-N 3.31Å; H158-L165 HydrophobicContact CB-CD2 4.42Å
159	Q	95.8	Very high	97.4	Very high	83 Å²	83	49.2 Å²	49.2	39%	0.388	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-27.6	175.6	-69.1	-54	-45.5	0	0	112.9	E67 Y155 E156 A157 G161	E67-Q159 PolarHBondContact OE1-NE2 2.83Å; Y155-Q159 HydrophobicContact CE1-CG 4.45Å; Y155-Q159 PolarHBondContact O-N 3.05Å; Y155-Q159 PolarHBondContact OH-NE2 3.07Å; E156-Q159 WeakPolarHBondContact O-CB 3.42Å; E156-Q159 PolarHBondContact O-N 2.67Å; A157-Q159 VanDerWaalsContact C-N 3.33Å; A157-Q159 PolarHBondContact O-N 3.06Å; Q159-G161 VanDerWaalsContact C-N 3.31Å
160	Q	96.3	Very high	97.4	Very high	136 Å²	136	47.7 Å²	47.7	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.9	176.1	-60.8	171.6	40.8	0	0	112.8	E156 A157 H158 A164	E156-Q160 PolarHBondContact O-N 2.99Å; A157-Q160 WeakPolarHBondContact O-CB 3.3Å; A157-Q160 PolarHBondContact O-N 3.33Å; A157-Q160 VanDerWaalsContact O-N 3.13Å; H158-Q160 PolarHBondContact O-N 3.25Å; Q160-A164 HydrophobicContact CB-CB 3.54Å
161	G	95.4	Very high	97.2	Very high	27 Å²	27	48.1 Å²	48.1	28%	0.278	27%	0.271	S	S	.	.			trans	112.7	168.5	174.3	0	0	0	0	0	114.3	A157 H158 Q159 G163 A164 L165	A157-G161 PolarHBondContact O-N 3.39Å; H158-G161 WeakPolarHBondContact O-CA 3.36Å; H158-G161 PolarHBondContact O-N 3.31Å; Q159-G161 VanDerWaalsContact C-N 3.31Å; G161-G163 VanDerWaalsContact C-N 3.28Å; G161-G163 PolarHBondContact O-N 3.13Å; G161-A164 WeakPolarHBondContact O-CB 3.37Å; G161-A164 PolarHBondContact O-N 2.9Å; G161-L165 PolarHBondContact O-N 3.15Å
162	Q	96.2	Very high	96.7	Very high	67 Å²	67	48 Å²	48	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-52.7	-43.6	-175.7	-173.9	-170.6	-29.7	0	0	113	W60 A164 L165 E166	W60-Q162 HydrophobicContact CB-CG 4.43Å; W60-Q162 HydrophobicContact CD2-CB 3.8Å; W60-Q162 HydrophobicContact CD2-CG 3.74Å; W60-Q162 HydrophobicContact CE3-CB 4.3Å; W60-Q162 HydrophobicContact CE3-CG 3.82Å; W60-Q162 HydrophobicContact CG-CB 3.95Å; W60-Q162 HydrophobicContact CG-CG 3.96Å; W60-Q162 HydrophobicContact CZ2-CB 4.36Å; W60-Q162 HydrophobicContact CZ3-CG 4.35Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-A164 PolarHBondContact O-N 2.87Å; Q162-L165 PolarHBondContact O-N 3.3Å; Q162-E166 PolarHBondContact O-N 3.24Å
163	G	96	Very high	96	Very high	46 Å²	46	48.4 Å²	48.4	47%	0.474	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-30.2	-178.7	0	0	0	0	0	113.7	G161 S167	G161-G163 VanDerWaalsContact C-N 3.28Å; G161-G163 PolarHBondContact O-N 3.13Å; G163-S167 VanDerWaalsContact O-CB 3.3Å; G163-S167 WeakPolarHBondContact O-CB 3.5Å; G163-S167 PolarHBondContact O-N 2.76Å; G163-S167 PolarHBondContact O-OG 3.03Å
164	A	97.7	Very high	95.3	Very high	26 Å²	26	51.4 Å²	51.4	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-70.8	-42.3	175.9	0	0	0	0	0	110.7	A157 Q160 G161 Q162 S167 L168	A157-A164 WeakPolarHBondContact O-CB 3.35Å; Q160-A164 HydrophobicContact CB-CB 3.54Å; G161-A164 WeakPolarHBondContact O-CB 3.37Å; G161-A164 PolarHBondContact O-N 2.9Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-A164 PolarHBondContact O-N 2.87Å; A164-S167 PolarHBondContact O-N 2.7Å; A164-L168 PolarHBondContact O-N 2.82Å
165	L	98.1	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-43.7	173.7	179.4	56.2	0	0	0	112.4	M59 W60 I154 A157 H158 G161 Q162 S167 L168 L169	M59-L165 HydrophobicContact CB-CD2 3.99Å; W60-L165 HydrophobicContact CB-CD2 4Å; I154-L165 HydrophobicContact CB-CD1 4.38Å; I154-L165 HydrophobicContact CG1-CD1 4.49Å; I154-L165 HydrophobicContact CG2-CD1 3.81Å; A157-L165 HydrophobicContact CB-CB 4.39Å; A157-L165 HydrophobicContact CB-CD1 4.31Å; H158-L165 HydrophobicContact CB-CD2 4.42Å; G161-L165 PolarHBondContact O-N 3.15Å; Q162-L165 PolarHBondContact O-N 3.3Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 2.81Å; L165-L168 PolarHBondContact O-N 2.88Å; L165-L169 HydrophobicContact CD1-CD1 3.89Å; L165-L169 HydrophobicContact CD1-CG 3.94Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 2.85Å; L165-L169 PolarHBondContact O-N 3.49Å; L165-L169 VanDerWaalsContact O-N 3.1Å
166	E	97.8	Very high	94.6	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-40.5	173.5	-175.1	174.4	150.4	0	0	111.4	R53 A56 Q162 L169 C170	R53-E166 WeakPolarHBondContact CD-OE1 3.08Å; R53-E166 HydrophobicContact CG-CG 4.19Å; R53-E166 WeakPolarHBondContact CG-OE1 3.49Å; R53-E166 IonicContact CZ-OE1 3.33Å; R53-E166 IonicContact NE-OE1 2.81Å; R53-E166 PolarHBondContact NE-OE1 3.19Å; A56-E166 HydrophobicContact CB-CB 4.2Å; Q162-E166 PolarHBondContact O-N 3.24Å; E166-L169 PolarHBondContact O-N 3.06Å; E166-C170 HydrophobicContact CG-CB 4.43Å; E166-C170 WeakPolarHBondContact O-CA 3.46Å; E166-C170 WeakPolarHBondContact O-CB 3.5Å; E166-C170 PolarHBondContact O-N 2.95Å; E166-C170 PolarHBondContact O-SG 2.83Å
167	S	96.8	Very high	94.4	Very high	80 Å²	80	49.3 Å²	49.3	56%	0.559	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-38.5	178.8	-60.8	0	0	0	0	112.7	G163 A164 L165 G171	G163-S167 VanDerWaalsContact O-CB 3.3Å; G163-S167 WeakPolarHBondContact O-CB 3.5Å; G163-S167 PolarHBondContact O-N 2.76Å; G163-S167 PolarHBondContact O-OG 3.03Å; A164-S167 PolarHBondContact O-N 2.7Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 2.81Å; S167-G171 VanDerWaalsContact O-CA 3.27Å; S167-G171 WeakPolarHBondContact O-CA 3.23Å; S167-G171 PolarHBondContact O-N 2.98Å
168	L	97.3	Very high	94	Very high	53 Å²	53	50.8 Å²	50.8	28%	0.277	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-52.5	175	175.9	66.9	0	0	0	110.6	F149 Q153 I154 A157 A164 L165	F149-L168 HydrophobicContact CD1-CD1 3.76Å; F149-L168 HydrophobicContact CD1-CD2 4.43Å; F149-L168 HydrophobicContact CD1-CG 3.9Å; F149-L168 HydrophobicContact CE1-CD1 3.95Å; F149-L168 HydrophobicContact CE1-CG 4.13Å; F149-L168 VanDerWaalsContact CE1-O 3.28Å; F149-L168 WeakPolarHBondContact CE1-O 3.44Å; F149-L168 HydrophobicContact CG-CG 4.45Å; F149-L168 VanDerWaalsContact CZ-O 3.25Å; F149-L168 WeakPolarHBondContact CZ-O 3.43Å; Q153-L168 HydrophobicContact CB-CD2 4.43Å; I154-L168 HydrophobicContact CG1-CD2 4.36Å; A157-L168 HydrophobicContact CB-CB 4.16Å; A157-L168 HydrophobicContact CB-CD2 3.65Å; A164-L168 PolarHBondContact O-N 2.82Å; L165-L168 PolarHBondContact O-N 2.88Å
169	L	97.4	Very high	92.8	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-77.4	-37.4	-172.5	-61.8	-175.6	0	0	0	113.2	C52 A56 M59 Y145 F149 I154 L165 E166	C52-L169 PolarHBondContact SG-O 2.98Å; C52-L169 VanDerWaalsContact SG-O 3.36Å; A56-L169 HydrophobicContact CB-CD1 3.91Å; M59-L169 HydrophobicContact SD-CD1 3.88Å; Y145-L169 HydrophobicContact CG-CD2 4.4Å; F149-L169 HydrophobicContact CB-CD2 4.45Å; F149-L169 HydrophobicContact CD2-CD2 3.32Å; F149-L169 HydrophobicContact CE2-CD2 3.61Å; F149-L169 HydrophobicContact CG-CD2 3.91Å; F149-L169 HydrophobicContact CZ-CD2 4.38Å; I154-L169 HydrophobicContact CD1-CD2 4.32Å; I154-L169 HydrophobicContact CG1-CD2 4.16Å; L165-L169 HydrophobicContact CD1-CD1 3.89Å; L165-L169 HydrophobicContact CD1-CG 3.94Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 2.85Å; L165-L169 PolarHBondContact O-N 3.49Å; L165-L169 VanDerWaalsContact O-N 3.1Å; E166-L169 PolarHBondContact O-N 3.06Å
170	C	97.3	Very high	91.1	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.02	38%	0.379	C	S	.	.	H	α-helix	trans	-110.5	-20.7	-166.1	-48.4	0	0	0	0	113.7	C52 E166 G175 A176 C177	C52-C170 HydrophobicContact CB-CB 3.9Å; C52-C170 WeakPolarHBondContact CB-SG 3.09Å; C52-C170 WeakPolarHBondContact SG-CA 3.29Å; C52-C170 WeakPolarHBondContact SG-CB 3.26Å; C52-C170 PolarHBondContact SG-N 3.43Å; C52-C170 VanDerWaalsContact SG-N 3.4Å; C52-C170 CovalentContact SG-SG 2.03Å; C52-C170 PolarHBondContact SG-SG 2.87Å; E166-C170 HydrophobicContact CG-CB 4.43Å; E166-C170 WeakPolarHBondContact O-CA 3.46Å; E166-C170 WeakPolarHBondContact O-CB 3.5Å; E166-C170 PolarHBondContact O-N 2.95Å; E166-C170 PolarHBondContact O-SG 2.83Å; C170-G175 CarbonylContact O-C 3.57Å; C170-G175 WeakPolarHBondContact O-CA 3.48Å; C170-A176 PolarHBondContact O-N 3.13Å; C170-C177 HydrophobicContact CB-CB 4.23Å; C170-C177 WeakPolarHBondContact O-CB 3.26Å; C170-C177 PolarHBondContact O-N 3.41Å
171	G	93.4	Very high	89	Confident	31 Å²	31	63.5 Å²	63.5	32%	0.32	39%	0.388	S	S	.	.			trans	-89.3	-168.9	-174.8	0	0	0	0	0	114.1	S167 G175	S167-G171 VanDerWaalsContact O-CA 3.27Å; S167-G171 WeakPolarHBondContact O-CA 3.23Å; S167-G171 PolarHBondContact O-N 2.98Å; G171-G175 WeakPolarHBondContact O-CA 3.48Å; G171-G175 PolarHBondContact O-N 3.26Å
172	G	87.7	Confident	86.8	Confident	50 Å²	50	66.3 Å²	66.3	52%	0.515	40%	0.403	S	S	.	.	S	Bend	trans	81.1	171.3	-178.5	0	0	0	0	0	114	Q174 G175 S178	G172-Q174 PolarHBondContact O-N 3.48Å; G172-G175 PolarHBondContact O-N 3.32Å; G172-S178 WeakPolarHBondContact O-CB 3.2Å; G172-S178 PolarHBondContact O-OG 3.2Å
173	P	84.1	Confident	84.5	Confident	100 Å²	100	67.8 Å²	67.8	65%	0.649	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.7	-171.6	-24.8	34.8	0	0	0	114.6	S178	P173-S178 PolarHBondContact O-OG 3.06Å
174	Q	83.8	Confident	82	Confident	170 Å²	170	71 Å²	71	79%	0.794	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	6.3	-179.5	-56.9	-61.9	-14.3	0	0	112.8	G172	G172-Q174 PolarHBondContact O-N 3.48Å
175	G	89.4	Confident	79.5	Confident	18 Å²	18	79.5 Å²	79.5	19%	0.186	46%	0.464	C	S	.	.	S	Bend	trans	-66.1	154.7	-179.8	0	0	0	0	0	112.4	C170 G171 G172 C177 S178	C170-G175 CarbonylContact O-C 3.57Å; C170-G175 WeakPolarHBondContact O-CA 3.48Å; G171-G175 WeakPolarHBondContact O-CA 3.48Å; G171-G175 PolarHBondContact O-N 3.26Å; G172-G175 PolarHBondContact O-N 3.32Å; G175-C177 PolarHBondContact O-N 2.87Å; G175-C177 VanDerWaalsContact O-N 3.1Å; G175-S178 WeakPolarHBondContact O-CB 3.22Å; G175-S178 PolarHBondContact O-N 3.29Å
176	A	92.9	Very high	77	Confident	38 Å²	38	87.8 Å²	87.8	31%	0.314	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.7	179.7	0	0	0	0	0	113.4	R48 C49 C52 C170	R48-A176 HydrophobicContact CB-CB 4.12Å; C49-A176 WeakPolarHBondContact CB-O 3.35Å; C52-A176 HydrophobicContact CB-CB 4.04Å; C170-A176 PolarHBondContact O-N 3.13Å
177	C	94.3	Very high	74.5	Confident	39 Å²	39	92.4 Å²	92.4	26%	0.264	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.6	176.8	-62.6	0	0	0	0	113.4	C49 C170 G175 E179	C49-C177 WeakPolarHBondContact CA-SG 2.9Å; C49-C177 HydrophobicContact CB-CB 4.01Å; C49-C177 WeakPolarHBondContact CB-SG 3.26Å; C49-C177 VanDerWaalsContact SG-CA 3.56Å; C49-C177 WeakPolarHBondContact SG-CB 3.46Å; C49-C177 CovalentContact SG-SG 2.04Å; C49-C177 PolarHBondContact SG-SG 3.3Å; C170-C177 HydrophobicContact CB-CB 4.23Å; C170-C177 WeakPolarHBondContact O-CB 3.26Å; C170-C177 PolarHBondContact O-N 3.41Å; G175-C177 PolarHBondContact O-N 2.87Å; G175-C177 VanDerWaalsContact O-N 3.1Å; C177-E179 PolarHBondContact O-N 3.16Å
178	S	89.1	Confident	71.6	Confident	40 Å²	40	100.3 Å²	100.3	28%	0.28	56%	0.559	S	S	.	*			trans	-63.7	124.2	175.6	-174.7	0	0	0	0	110.5	G172 P173 G175 K180	G172-S178 WeakPolarHBondContact O-CB 3.2Å; G172-S178 PolarHBondContact O-OG 3.2Å; P173-S178 PolarHBondContact O-OG 3.06Å; G175-S178 WeakPolarHBondContact O-CB 3.22Å; G175-S178 PolarHBondContact O-N 3.29Å; S178-K180 PolarHBondContact O-N 3.23Å; S178-K180 PolarHBondContact OG-N 2.87Å
179	E	72	Confident	70.3	Confident	196 Å²	196	102.7 Å²	102.7	92%	0.916	57%	0.573	S	S	*	*			trans	-76	-6.7	173.3	-61.7	-175.6	164.9	0	0	112.3	C177 V181	C177-E179 PolarHBondContact O-N 3.16Å; E179-V181 PolarHBondContact O-N 2.82Å
180	K	59.2	Low	68.9	Low	166 Å²	166	107.8 Å²	107.8	72%	0.722	60%	0.602	S	S	*	*	S	Bend	trans	-82.5	106.7	179.8	-133.5	177	-174.5	-178.8	0	108.6	S178 S182	S178-K180 PolarHBondContact O-N 3.23Å; S178-K180 PolarHBondContact OG-N 2.87Å; K180-S182 PolarHBondContact O-N 2.73Å
181	V	52.8	Low	67.3	Low	134 Å²	134	113.7 Å²	113.7	81%	0.812	63%	0.634	S	S	*	*			trans	-54.1	112	165.7	179.9	0	0	0	0	106.7	E179 A183	E179-V181 PolarHBondContact O-N 2.82Å; V181-A183 PolarHBondContact O-N 2.87Å
182	S	50.3	Low	65.8	Low	86 Å²	86	118.5 Å²	118.5	60%	0.601	65%	0.652	S	S	*	*			trans	-58.2	113	173.1	50.3	0	0	0	0	106.5	K180 T184	K180-S182 PolarHBondContact O-N 2.73Å; S182-T184 PolarHBondContact O-N 3.05Å
183	A	46.6	Very low	64.4	Low	97 Å²	97	122.8 Å²	122.8	80%	0.802	66%	0.661	S	S	*	*			trans	-52.5	120.9	175.1	0	0	0	0	0	107	V181 R185	V181-A183 PolarHBondContact O-N 2.87Å; A183-R185 PolarHBondContact O-N 2.83Å
184	T	43.9	Very low	63.1	Low	114 Å²	114	124.3 Å²	124.3	70%	0.699	66%	0.662	S	S	*	*			trans	-37.1	125	-174.2	-37.6	0	0	0	0	110.5	S182 E186	S182-T184 PolarHBondContact O-N 3.05Å; T184-E186 PolarHBondContact O-N 2.98Å
185	R	46.2	Very low	61.6	Low	205 Å²	205	121.1 Å²	121.1	77%	0.774	65%	0.652	S	S	*	*			trans	-67	81.9	162.9	-159.6	173	89	-167.2	6	106.3	A183 E187	A183-R185 PolarHBondContact O-N 2.83Å; R185-E187 VanDerWaalsContact C-N 3.27Å; R185-E187 HydrophobicContact CG-CG 4.2Å; R185-E187 IonicContact CZ-OE1 3.63Å; R185-E187 IonicContact NE-OE1 3.62Å; R185-E187 PolarHBondContact NE-OE1 2.96Å; R185-E187 IonicContact NH2-OE1 2.76Å; R185-E187 PolarHBondContact NH2-OE1 3.27Å; R185-E187 PolarHBondContact O-N 2.96Å
186	E	44.6	Very low	59.5	Low	173 Å²	173	129 Å²	129	81%	0.808	69%	0.688	S	S	*	*			trans	-62.1	95.8	163.1	-75.1	176.8	154.8	0	0	105.9	T184 L188	T184-E186 PolarHBondContact O-N 2.98Å; E186-L188 PolarHBondContact O-N 3.09Å
187	E	44.5	Very low	56.7	Low	144 Å²	144	136.6 Å²	136.6	67%	0.673	72%	0.719	S	S	*	*			trans	-75.9	117.7	165.6	-63.6	-147.3	163.4	0	0	108.1	R185	R185-E187 VanDerWaalsContact C-N 3.27Å; R185-E187 HydrophobicContact CG-CG 4.2Å; R185-E187 IonicContact CZ-OE1 3.63Å; R185-E187 IonicContact NE-OE1 3.62Å; R185-E187 PolarHBondContact NE-OE1 2.96Å; R185-E187 IonicContact NH2-OE1 2.76Å; R185-E187 PolarHBondContact NH2-OE1 3.27Å; R185-E187 PolarHBondContact O-N 2.96Å
188	L	37.2	Very low	53.3	Low	245 Å²	245	145.5 Å²	145.5	100%	1.283	76%	0.761	S	S	*	*			trans	-69.4	0	165.6	-83.5	151.7	0	0	0	111.1	E186	E186-L188 PolarHBondContact O-N 3.09Å

Retrieved 188 of 188 residues in 85.8 ms (Link to these results)

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