A0A087X9F1_POEFO Loading...

Cytochrome c oxidase subunit 4

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation.

AlphaFold DB , UniProt , Accession A0A087X9F1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	41.2	Very low	235 Å²	235	159 Å²	159	100%	1.158	86%	0.863	S	S	*	*				0	141.5	0	-82	-171.4	170.4	0	0	108.6
2	L	42.2	Very low	41.3	Very low	158 Å²	158	159.8 Å²	159.8	83%	0.827	86%	0.864	S	S	*	*			trans	79.4	85.7	170.9	-59.5	157	0	0	0	115
3	R	35.8	Very low	41.5	Very low	228 Å²	228	160.8 Å²	160.8	86%	0.86	87%	0.867	S	S	*	*				83.8	93.7	82.5	-80.6	-170	178.3	-172.7	0.6	112.5
4	L	43.4	Very low	41.6	Very low	185 Å²	185	155.8 Å²	155.8	97%	0.969	86%	0.859	S	S	*	*			trans	-61.6	123	157.5	-83.7	142.8	0	0	0	109.5
5	T	47.5	Very low	41.6	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	85%	0.853	S	S	*	*			trans	-107.7	110.3	164.9	48.1	0	0	0	0	108.4	S7	T5-S7 PolarHBondContact O-N 3.44Å
6	S	40.4	Very low	41.6	Very low	114 Å²	114	155.8 Å²	155.8	80%	0.797	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-74.4	119.3	168.9	73.6	0	0	0	0	108.5
7	S	40.7	Very low	41.9	Very low	105 Å²	105	154.1 Å²	154.1	73%	0.734	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-91.4	121.7	168	73.4	0	0	0	0	109.1	T5	T5-S7 PolarHBondContact O-N 3.44Å
8	R	44.9	Very low	41.8	Very low	240 Å²	240	153.3 Å²	153.3	91%	0.906	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-81.2	121.3	167.7	-72.5	-178.8	174.3	-161.4	-1.9	107.3
9	L	44.2	Very low	41.8	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	85%	0.852	S	S	*	*			trans	-109.7	109.2	162.5	-81.9	165.8	0	0	0	108.1
10	G	37.9	Very low	41.7	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	85%	0.847	S	S	*	*			trans	-67.7	125	171.6	0	0	0	0	0	110
11	S	37.2	Very low	41.4	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	84%	0.844	S	S	*	*			trans	-86.8	108.3	172	179.2	0	0	0	0	109	L13	S11-L13 PolarHBondContact O-N 3.39Å
12	L	42.9	Very low	41.4	Very low	168 Å²	168	142.7 Å²	142.7	88%	0.88	83%	0.828	S	S	*	*			trans	-73.9	111	171.4	-70.2	167.7	0	0	0	109.2	A14	L12-A14 PolarHBondContact O-N 3.01Å; L12-A14 VanDerWaalsContact O-N 3.14Å
13	L	42.9	Very low	41	Very low	173 Å²	173	144 Å²	144	91%	0.906	83%	0.827	S	S	*	*			trans	-72	95.8	167	-78.9	166.3	0	0	0	109.2	S11 G15	S11-L13 PolarHBondContact O-N 3.39Å; L13-G15 PolarHBondContact O-N 3.41Å
14	A	43	Very low	41.2	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	82%	0.822	S	S	*	*			trans	-87.8	98.6	167.3	0	0	0	0	0	109.3	L12 R16	L12-A14 PolarHBondContact O-N 3.01Å; L12-A14 VanDerWaalsContact O-N 3.14Å; A14-R16 PolarHBondContact O-N 3.05Å
15	G	42.1	Very low	41	Very low	75 Å²	75	137 Å²	137	77%	0.773	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.6	169.6	0	0	0	0	0	110.7	L13	L13-G15 PolarHBondContact O-N 3.41Å
16	R	41.6	Very low	40.5	Very low	237 Å²	237	139.9 Å²	139.9	89%	0.894	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.3	120.8	171.3	-65.1	175	72.1	158.1	2	108.2	A14 T18	A14-R16 PolarHBondContact O-N 3.05Å; R16-T18 PolarHBondContact O-N 3.08Å
17	P	45.9	Very low	40.3	Very low	127 Å²	127	137.4 Å²	137.4	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.3	122.1	171.4	28.8	-30.1	0	0	0	109.7	A19	P17-A19 PolarHBondContact O-N 3.34Å
18	T	41.3	Very low	40.2	Very low	139 Å²	139	144.4 Å²	144.4	85%	0.853	82%	0.818	S	S	*	*			trans	-67.2	112.1	166.8	39.3	0	0	0	0	109.4	R16 A20	R16-T18 PolarHBondContact O-N 3.08Å; T18-A20 PolarHBondContact O-N 3.04Å
19	A	41.3	Very low	39.7	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	82%	0.816	S	S	*	*			trans	-72.2	108.1	169.9	0	0	0	0	0	109.3	P17 L21	P17-A19 PolarHBondContact O-N 3.34Å; A19-L21 PolarHBondContact O-N 3.27Å
20	A	39.2	Very low	39.4	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	81%	0.81	S	S	*	*			trans	-74.5	112.4	170.2	0	0	0	0	0	109.1	T18 T22	T18-A20 PolarHBondContact O-N 3.04Å; A20-T22 PolarHBondContact O-N 3.15Å
21	L	36.8	Very low	39.7	Very low	152 Å²	152	135.5 Å²	135.5	80%	0.796	81%	0.806	S	S	*	*			trans	-76.5	99	171.4	-80.6	161.5	0	0	0	109.2	A19	A19-L21 PolarHBondContact O-N 3.27Å
22	T	37.4	Very low	39.7	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	81%	0.814	S	S	*	*			trans	-84.8	108.4	167.2	39.4	0	0	0	0	109.4	A20 S24	A20-T22 PolarHBondContact O-N 3.15Å; T22-S24 PolarHBondContact O-N 3.33Å
23	F	34.2	Very low	39.3	Very low	185 Å²	185	140.4 Å²	140.4	81%	0.811	81%	0.813	S	S	*	*			trans	-73.4	106	168.5	-78.9	-87.2	0	0	0	109.2	I25	F23-I25 PolarHBondContact O-N 3.45Å
24	S	39.5	Very low	38.8	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	80%	0.802	S	S	*	*			trans	-80.4	101.7	172.4	-164.1	0	0	0	0	109.2	T22 K26	T22-S24 PolarHBondContact O-N 3.33Å; S24-K26 PolarHBondContact O-N 2.9Å; S24-K26 VanDerWaalsContact O-N 3.15Å
25	I	40.6	Very low	38.3	Very low	158 Å²	158	142 Å²	142	81%	0.81	81%	0.81	S	S	*	*			trans	-74.8	98.6	169.5	-60	173.8	0	0	0	107.1	F23 G27	F23-I25 PolarHBondContact O-N 3.45Å; I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.18Å
26	K	36.5	Very low	38.3	Very low	195 Å²	195	146.4 Å²	146.4	85%	0.848	81%	0.811	S	S	*	*			trans	-72.1	88.9	166	-80.5	-178.2	176.9	179.5	0	108.9	S24	S24-K26 PolarHBondContact O-N 2.9Å; S24-K26 VanDerWaalsContact O-N 3.15Å
27	G	36.5	Very low	38.4	Very low	62 Å²	62	141 Å²	141	64%	0.639	80%	0.804	S	S	*	*			trans	-62.8	138.7	160.5	0	0	0	0	0	110	I25 A29	I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.18Å; G27-A29 PolarHBondContact O-N 2.97Å
28	R	37.4	Very low	38.8	Very low	251 Å²	251	140.3 Å²	140.3	95%	0.947	80%	0.802	S	S	*	*			trans	-51.8	132.3	172.5	-89.4	175.5	172	168.5	-3.4	109.9	A30	R28-A30 PolarHBondContact O-N 2.99Å
29	A	35	Very low	40.1	Very low	103 Å²	103	142.1 Å²	142.1	85%	0.851	80%	0.801	S	S	*	*			trans	-61.1	104.4	170.3	0	0	0	0	0	109.3	G27	G27-A29 PolarHBondContact O-N 2.97Å
30	A	39.1	Very low	41.7	Very low	90 Å²	90	142.3 Å²	142.3	74%	0.744	80%	0.802	S	S	*	*			trans	-69.3	140.7	158.8	0	0	0	0	0	107.8	R28	R28-A30 PolarHBondContact O-N 2.99Å
31	S	43.3	Very low	43.3	Very low	102 Å²	102	143.7 Å²	143.7	71%	0.713	80%	0.796	S	S	*	*			trans	-31.4	140.2	176.9	51.1	0	0	0	0	114.7	Q33	S31-Q33 PolarHBondContact O-N 3.14Å
32	Q	36.8	Very low	45.5	Very low	198 Å²	198	140.2 Å²	140.2	93%	0.925	78%	0.779	S	S	*	*			trans	-34.2	102.1	166.5	-69.8	168.1	-46.4	0	0	111.6	S34	Q32-S34 PolarHBondContact O-N 2.71Å
33	Q	34.7	Very low	47.7	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	77%	0.774	S	S	*	*			trans	-81.9	102.5	167	-83.7	175.8	-41.3	0	0	107.1	S31	S31-Q33 PolarHBondContact O-N 3.14Å
34	S	32	Very low	50.3	Low	99 Å²	99	136.9 Å²	136.9	69%	0.692	77%	0.769	S	S	*	*			trans	-54.2	136.6	153.1	41.8	0	0	0	0	108.5	Q32 E36	Q32-S34 PolarHBondContact O-N 2.71Å; S34-E36 PolarHBondContact O-N 2.96Å
35	H	32.3	Very low	52.6	Low	197 Å²	197	140.1 Å²	140.1	91%	0.912	77%	0.765	S	S	*	*			trans	-72.9	64.5	-174.8	-144.1	-85.8	0	0	0	110.8
36	E	42.9	Very low	54.9	Low	169 Å²	169	136.5 Å²	136.5	79%	0.79	75%	0.752	S	S	*	*			trans	-91.4	114.1	172.4	-166.3	173.5	-178.8	0	0	107.8	S34 S38	S34-E36 PolarHBondContact O-N 2.96Å; E36-S38 PolarHBondContact O-N 3.2Å; E36-S38 VanDerWaalsContact O-N 3.13Å
37	V	43.9	Very low	57.4	Low	124 Å²	124	130 Å²	130	75%	0.752	73%	0.725	S	S	*	*			trans	-61.3	115.6	170.8	175.8	0	0	0	0	106.1	E39	V37-E39 PolarHBondContact O-N 3.44Å
38	S	54.4	Low	60	Low	111 Å²	111	128.8 Å²	128.8	78%	0.776	70%	0.701	S	S	*	*			trans	-62.1	112	175.2	28.3	0	0	0	0	108	E36 A40	E36-S38 PolarHBondContact O-N 3.2Å; E36-S38 VanDerWaalsContact O-N 3.13Å; S38-A40 PolarHBondContact O-N 3.42Å
39	E	68.8	Low	62.6	Low	178 Å²	178	122.8 Å²	122.8	83%	0.832	68%	0.68	S	S	*	*			trans	-54.1	139.9	171.2	-80.9	-172	146.4	0	0	109	V37 L41	V37-E39 PolarHBondContact O-N 3.44Å; E39-L41 PolarHBondContact O-N 3.19Å
40	A	75.3	Confident	65.4	Low	103 Å²	103	120.2 Å²	120.2	85%	0.851	65%	0.652	S	S	*	*			trans	-58.6	114.4	172.7	0	0	0	0	0	108.4	S38 D42	S38-A40 PolarHBondContact O-N 3.42Å; A40-D42 PolarHBondContact O-N 2.83Å
41	L	71.5	Confident	67.9	Low	118 Å²	118	122.2 Å²	122.2	62%	0.618	64%	0.64	S	S	*	*			trans	-61.5	125.4	-175.3	-70	163.4	0	0	0	110.3	E39 M43 M47	E39-L41 PolarHBondContact O-N 3.19Å; L41-M43 HydrophobicContact CB-CE 4.12Å; L41-M43 PolarHBondContact O-N 3.29Å; L41-M43 VanDerWaalsContact O-N 3.08Å; L41-M47 HydrophobicContact CD1-SD 3.95Å
42	D	82.9	Confident	70.3	Confident	80 Å²	80	120.2 Å²	120.2	43%	0.428	62%	0.623	S	S	.	*			trans	-69.7	100	172.4	178.3	7.8	0	0	0	109.9	A40 S44 R45	A40-D42 PolarHBondContact O-N 2.83Å; D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 2.95Å; D42-S44 VanDerWaalsContact O-N 3.17Å; D42-S44 WeakPolarHBondContact OD1-CB 3.16Å; D42-S44 PolarHBondContact OD1-N 3.03Å; D42-S44 PolarHBondContact OD1-OG 3.24Å; D42-S44 PolarHBondContact OD2-OG 3.39Å; D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD2-CD 3.45Å; D42-R45 WeakPolarHBondContact OD2-CG 3.49Å; D42-R45 IonicContact OD2-CZ 3.97Å; D42-R45 IonicContact OD2-NE 3.54Å; D42-R45 PolarHBondContact OD2-NE 3.08Å; D42-R45 IonicContact OD2-NH2 3.86Å
43	M	84.8	Confident	73.1	Confident	146 Å²	146	116.1 Å²	116.1	72%	0.719	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-7	-178.4	-59.4	-63.5	174.8	0	0	113.7	L41 R45 M47	L41-M43 HydrophobicContact CB-CE 4.12Å; L41-M43 PolarHBondContact O-N 3.29Å; L41-M43 VanDerWaalsContact O-N 3.08Å; M43-R45 VanDerWaalsContact C-N 3.3Å; M43-M47 HydrophobicContact SD-CE 4.21Å
44	S	89.3	Confident	75.9	Confident	100 Å²	100	110.9 Å²	110.9	70%	0.699	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-13.1	174.6	74.3	0	0	0	0	113.3	D42	D42-S44 VanDerWaalsContact CG-OG 3.24Å; D42-S44 PolarHBondContact O-N 2.95Å; D42-S44 VanDerWaalsContact O-N 3.17Å; D42-S44 WeakPolarHBondContact OD1-CB 3.16Å; D42-S44 PolarHBondContact OD1-N 3.03Å; D42-S44 PolarHBondContact OD1-OG 3.24Å; D42-S44 PolarHBondContact OD2-OG 3.39Å
45	R	87.3	Confident	78.9	Confident	176 Å²	176	109.5 Å²	109.5	66%	0.664	57%	0.573	S	S	*	*	S	Bend	trans	-101	153	179.8	-63	-179.3	-168.1	-159.2	-4.2	111.4	D42 M43 M47	D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD2-CD 3.45Å; D42-R45 WeakPolarHBondContact OD2-CG 3.49Å; D42-R45 IonicContact OD2-CZ 3.97Å; D42-R45 IonicContact OD2-NE 3.54Å; D42-R45 PolarHBondContact OD2-NE 3.08Å; D42-R45 IonicContact OD2-NH2 3.86Å; M43-R45 VanDerWaalsContact C-N 3.3Å; R45-M47 PolarHBondContact O-N 3.38Å
46	P	88.6	Confident	81.9	Confident	81 Å²	81	106 Å²	106	53%	0.526	56%	0.56	S	S	.	*			trans	-55.8	135.5	172.3	-23.6	33.4	0	0	0	111.4	D58 K59	P46-D58 HydrophobicContact CB-CB 4.03Å; P46-K59 VanDerWaalsContact O-CD 3.27Å; P46-K59 WeakPolarHBondContact O-CD 3.4Å
47	M	88.3	Confident	84.3	Confident	59 Å²	59	98.5 Å²	98.5	29%	0.291	53%	0.526	S	S	.	.			trans	-114.5	149.4	179	-175.5	151.3	67.8	0	0	110.3	L41 M43 R45 Y49	L41-M47 HydrophobicContact CD1-SD 3.95Å; M43-M47 HydrophobicContact SD-CE 4.21Å; R45-M47 PolarHBondContact O-N 3.38Å; M47-Y49 HydrophobicContact CB-CE2 3.76Å; M47-Y49 HydrophobicContact CE-CE1 3.81Å; M47-Y49 WeakPolarHBondContact CE-OH 3.34Å; M47-Y49 HydrophobicContact CG-CE1 4.33Å; M47-Y49 HydrophobicContact CG-CE2 4.3Å; M47-Y49 WeakPolarHBondContact O-CD2 3.28Å; M47-Y49 VanDerWaalsContact O-CE2 3.25Å; M47-Y49 WeakPolarHBondContact O-CE2 3.24Å
48	Y	91.5	Very high	86.5	Confident	36 Å²	36	98.6 Å²	98.6	14%	0.141	52%	0.522	C	S	.	.			trans	-72.3	136.8	175.6	-179	-90.2	0	0	0	110.7	D50 P57 K59 P60 Y61 K95 F96 C97	Y48-D50 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D50 VanDerWaalsContact CZ-OD1 3.29Å; Y48-D50 PolarHBondContact OH-OD1 2.94Å; Y48-P57 HydrophobicContact CD2-CB 4.25Å; Y48-P57 HydrophobicContact CD2-CG 3.93Å; Y48-P57 HydrophobicContact CE2-CB 4.27Å; Y48-P57 HydrophobicContact CE2-CG 3.52Å; Y48-K59 VanDerWaalsContact CD2-O 3.26Å; Y48-K59 WeakPolarHBondContact CD2-O 3.45Å; Y48-P60 VanDerWaalsContact CD2-C 3.49Å; Y48-Y61 HydrophobicContact CD1-CD2 4.03Å; Y48-Y61 HydrophobicContact CE1-CD2 4.1Å; Y48-Y61 HydrophobicContact CG-CD2 4.45Å; Y48-K95 WeakPolarHBondContact CE2-O 3.33Å; Y48-F96 WeakPolarHBondContact OH-CA 3.4Å; Y48-C97 HydrophobicContact CE1-CB 3.79Å; Y48-C97 PolarHBondContact OH-N 3.45Å
49	Y	91.5	Very high	88.3	Confident	126 Å²	126	96.4 Å²	96.4	49%	0.494	50%	0.499	S	S	.	.			trans	-142.9	138.4	172.3	-55.4	-81.7	0	0	0	111.2	M47 R51	M47-Y49 HydrophobicContact CB-CE2 3.76Å; M47-Y49 HydrophobicContact CE-CE1 3.81Å; M47-Y49 WeakPolarHBondContact CE-OH 3.34Å; M47-Y49 HydrophobicContact CG-CE1 4.33Å; M47-Y49 HydrophobicContact CG-CE2 4.3Å; M47-Y49 WeakPolarHBondContact O-CD2 3.28Å; M47-Y49 VanDerWaalsContact O-CE2 3.25Å; M47-Y49 WeakPolarHBondContact O-CE2 3.24Å; Y49-R51 PolarHBondContact O-N 3.17Å
50	D	93.7	Very high	89.5	Confident	49 Å²	49	90 Å²	90	26%	0.262	47%	0.472	S	S	.	.			trans	-88.6	100.7	167.9	-72.7	-44.4	0	0	0	109.5	Y48 C97 Q98 M103	Y48-D50 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D50 VanDerWaalsContact CZ-OD1 3.29Å; Y48-D50 PolarHBondContact OH-OD1 2.94Å; D50-C97 WeakPolarHBondContact OD2-CB 3.45Å; D50-Q98 WeakPolarHBondContact OD2-CG 3.41Å; D50-Q98 PolarHBondContact OD2-N 2.75Å; D50-M103 VanDerWaalsContact C-CE 3.48Å; D50-M103 HydrophobicContact CB-CE 4.12Å; D50-M103 HydrophobicContact CB-CG 4.05Å; D50-M103 HydrophobicContact CB-SD 3.91Å
51	R	93.2	Very high	90.3	Very high	131 Å²	131	90.4 Å²	90.4	49%	0.494	45%	0.453	S	S	.	.			trans	-130.4	134.8	-178.4	-78.9	-172.2	68	159.7	1.8	112.3	Y49 D53 M54	Y49-R51 PolarHBondContact O-N 3.17Å; R51-D53 VanDerWaalsContact C-N 3.29Å; R51-D53 WeakPolarHBondContact CB-OD1 3.4Å; R51-D53 IonicContact CZ-OD1 3.62Å; R51-D53 IonicContact CZ-OD2 3.64Å; R51-D53 IonicContact NE-OD1 3.34Å; R51-D53 PolarHBondContact NE-OD1 3.24Å; R51-D53 IonicContact NE-OD2 3.59Å; R51-D53 PolarHBondContact NE-OD2 3.46Å; R51-D53 IonicContact NH2-OD1 2.75Å; R51-D53 PolarHBondContact NH2-OD1 3.33Å; R51-D53 IonicContact NH2-OD2 2.67Å; R51-D53 PolarHBondContact NH2-OD2 3.19Å; R51-D53 PolarHBondContact O-N 2.66Å; R51-M54 HydrophobicContact CB-CB 4.19Å; R51-M54 CarbonylContact O-C 3.36Å; R51-M54 PolarHBondContact O-N 3.24Å
52	V	93.5	Very high	91.2	Very high	60 Å²	60	88.8 Å²	88.8	36%	0.364	44%	0.441	S	S	.	.	S	Bend	trans	-70.3	-29.7	-177.9	-179.1	0	0	0	0	111.5	Y100 M103 R104	V52-Y100 HydrophobicContact CG1-CE1 3.97Å; V52-Y100 PolarHBondContact O-OH 2.97Å; V52-M103 HydrophobicContact CG2-CE 3.74Å; V52-R104 HydrophobicContact CG2-CG 4.32Å
53	D	95.3	Very high	91.4	Very high	112 Å²	112	89.4 Å²	89.4	60%	0.599	44%	0.444	S	S	*	.	S	Bend	trans	-84.8	-20.6	178.8	60.5	-52.1	0	0	0	113.3	R51 P55	R51-D53 VanDerWaalsContact C-N 3.29Å; R51-D53 WeakPolarHBondContact CB-OD1 3.4Å; R51-D53 IonicContact CZ-OD1 3.62Å; R51-D53 IonicContact CZ-OD2 3.64Å; R51-D53 IonicContact NE-OD1 3.34Å; R51-D53 PolarHBondContact NE-OD1 3.24Å; R51-D53 IonicContact NE-OD2 3.59Å; R51-D53 PolarHBondContact NE-OD2 3.46Å; R51-D53 IonicContact NH2-OD1 2.75Å; R51-D53 PolarHBondContact NH2-OD1 3.33Å; R51-D53 IonicContact NH2-OD2 2.67Å; R51-D53 PolarHBondContact NH2-OD2 3.19Å; R51-D53 PolarHBondContact O-N 2.66Å; D53-P55 WeakPolarHBondContact O-CD 2.95Å
54	M	94.1	Very high	91.6	Very high	74 Å²	74	88.8 Å²	88.8	37%	0.365	45%	0.448	S	S	.	.			trans	-119.6	79.4	176	-169.7	175.7	-177.7	0	0	109.8	R51 L56 D58	R51-M54 HydrophobicContact CB-CB 4.19Å; R51-M54 CarbonylContact O-C 3.36Å; R51-M54 PolarHBondContact O-N 3.24Å; M54-L56 PolarHBondContact O-N 3.4Å; M54-L56 VanDerWaalsContact O-N 3.14Å; M54-D58 VanDerWaalsContact CE-OD1 3.29Å; M54-D58 WeakPolarHBondContact CE-OD1 3.36Å
55	P	93.7	Very high	91.8	Very high	69 Å²	69	86.2 Å²	86.2	45%	0.448	43%	0.426	S	S	.	.	S	Bend	trans	-59.7	-25.8	-175.9	19.6	-32	0	0	0	114.4	D53 F96 Y100	D53-P55 WeakPolarHBondContact O-CD 2.95Å; P55-F96 VanDerWaalsContact O-CE1 3.28Å; P55-F96 WeakPolarHBondContact O-CE1 3.44Å; P55-Y100 WeakPolarHBondContact CA-OH 3.43Å; P55-Y100 VanDerWaalsContact CB-OH 3.24Å; P55-Y100 WeakPolarHBondContact CB-OH 3.49Å
56	L	95.3	Very high	92.1	Very high	124 Å²	124	80.6 Å²	80.6	65%	0.649	41%	0.414	S	S	*	.	S	Bend	trans	-120.9	95.6	-175	-62.4	177.3	0	0	0	108.2	M54 F96	M54-L56 PolarHBondContact O-N 3.4Å; M54-L56 VanDerWaalsContact O-N 3.14Å; L56-F96 HydrophobicContact CD2-CZ 4.03Å
57	P	92.9	Very high	92.3	Very high	11 Å²	11	83.9 Å²	83.9	7%	0.071	42%	0.422	C	S	.	.			trans	-70.2	150.8	177.4	27.8	-30.4	0	0	0	110.7	Y48 K59 F96	Y48-P57 HydrophobicContact CD2-CB 4.25Å; Y48-P57 HydrophobicContact CD2-CG 3.93Å; Y48-P57 HydrophobicContact CE2-CB 4.27Å; Y48-P57 HydrophobicContact CE2-CG 3.52Å; P57-K59 PolarHBondContact O-N 3.45Å; P57-F96 HydrophobicContact CG-CD1 4.38Å; P57-F96 HydrophobicContact CG-CE1 4.23Å
58	D	91.4	Very high	92.5	Very high	126 Å²	126	84.4 Å²	84.4	67%	0.674	44%	0.436	S	S	*	.	S	Bend	trans	-62.2	-27.1	-176.7	-60.9	-33.1	0	0	0	112.8	P46 M54	P46-D58 HydrophobicContact CB-CB 4.03Å; M54-D58 VanDerWaalsContact CE-OD1 3.29Å; M54-D58 WeakPolarHBondContact CE-OD1 3.36Å
59	K	91.7	Very high	92.7	Very high	66 Å²	66	84.4 Å²	84.4	29%	0.287	44%	0.438	S	S	.	.	S	Bend	trans	-120.5	144.4	-177.8	-168.1	175.1	172	-176.4	0	109.9	P46 Y48 P57 D63	P46-K59 VanDerWaalsContact O-CD 3.27Å; P46-K59 WeakPolarHBondContact O-CD 3.4Å; Y48-K59 VanDerWaalsContact CD2-O 3.26Å; Y48-K59 WeakPolarHBondContact CD2-O 3.45Å; P57-K59 PolarHBondContact O-N 3.45Å; K59-D63 WeakPolarHBondContact CE-OD1 3.34Å; K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 IonicContact NZ-OD1 3.46Å; K59-D63 IonicContact NZ-OD2 2.66Å; K59-D63 PolarHBondContact NZ-OD2 2.94Å
60	P	93	Very high	92.8	Very high	42 Å²	42	83.3 Å²	83.3	27%	0.273	44%	0.437	S	S	.	.			trans	-68.5	161.1	169.1	30.8	-36.1	0	0	0	111.5	Y48 K95	Y48-P60 VanDerWaalsContact CD2-C 3.49Å; P60-K95 HydrophobicContact CB-CD 4.14Å
61	Y	92.6	Very high	92.9	Very high	112 Å²	112	87.9 Å²	87.9	44%	0.439	45%	0.454	S	S	.	.	S	Bend	trans	-63.9	-45.7	175.3	173.8	-123.2	0	0	0	112.5	Y48 K95 C97	Y48-Y61 HydrophobicContact CD1-CD2 4.03Å; Y48-Y61 HydrophobicContact CE1-CD2 4.1Å; Y48-Y61 HydrophobicContact CG-CD2 4.45Å; Y61-K95 PolarHBondContact N-O 3.46Å; Y61-C97 HydrophobicContact CD1-CB 4.06Å; Y61-C97 HydrophobicContact CD2-CB 3.5Å; Y61-C97 VanDerWaalsContact CD2-CB 3.5Å; Y61-C97 HydrophobicContact CE1-CB 4.19Å; Y61-C97 HydrophobicContact CE2-CB 3.63Å; Y61-C97 HydrophobicContact CG-CB 3.72Å
62	K	91.9	Very high	93	Very high	85 Å²	85	82.6 Å²	82.6	37%	0.37	44%	0.436	S	S	.	.			trans	-101.8	123.2	174.6	-72.3	-167.5	-177.1	-173.1	0	111.6	E69 L94	K62-E69 IonicContact NZ-OE1 3.47Å; K62-E69 PolarHBondContact NZ-OE1 3.23Å; K62-L94 HydrophobicContact CD-CD2 3.8Å; K62-L94 PolarHBondContact N-O 3.01Å
63	D	86.1	Confident	93.1	Very high	92 Å²	92	82.6 Å²	82.6	49%	0.492	43%	0.431	S	S	.	.	S	Bend	trans	-86.6	-47.1	172.8	-69.4	-32.8	0	0	0	112.8	K59	K59-D63 WeakPolarHBondContact CE-OD1 3.34Å; K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 IonicContact NZ-OD1 3.46Å; K59-D63 IonicContact NZ-OD2 2.66Å; K59-D63 PolarHBondContact NZ-OD2 2.94Å
64	V	89.9	Confident	93.1	Very high	133 Å²	133	83 Å²	83	81%	0.806	43%	0.429	S	S	*	.	S	Bend	trans	-94.5	116.4	-178.1	-175.4	0	0	0	0	108.3
65	L	92.1	Very high	93.1	Very high	47 Å²	47	85.2 Å²	85.2	25%	0.246	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-99.2	131.3	-179.3	-68.1	149.6	0	0	0	109.6	E69 Q70 K73 L94	L65-E69 HydrophobicContact CB-CB 4.18Å; L65-E69 HydrophobicContact CD2-CB 3.67Å; L65-Q70 HydrophobicContact CB-CG 3.67Å; L65-Q70 PolarHBondContact O-NE2 2.98Å; L65-K73 HydrophobicContact CD1-CG 4.19Å; L65-K73 HydrophobicContact CD2-CG 4.3Å; L65-L94 HydrophobicContact CD2-CD1 3.9Å; L65-L94 HydrophobicContact CD2-CD2 4.05Å; L65-L94 HydrophobicContact CD2-CG 4.45Å
66	S	93.8	Very high	93.2	Very high	58 Å²	58	84.6 Å²	84.6	41%	0.406	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-64.6	161.8	167.5	63.6	0	0	0	0	111.4	A68 E69 Q70	S66-A68 PolarHBondContact O-N 2.91Å; S66-E69 WeakPolarHBondContact CB-OE2 3.29Å; S66-E69 PolarHBondContact N-OE2 3.18Å; S66-E69 PolarHBondContact O-N 2.79Å; S66-E69 WeakPolarHBondContact OG-CG 3.37Å; S66-E69 PolarHBondContact OG-N 3.14Å; S66-E69 PolarHBondContact OG-OE2 3.31Å; S66-Q70 WeakPolarHBondContact O-CG 3.26Å; S66-Q70 PolarHBondContact O-N 3.3Å
67	E	94.1	Very high	93.2	Very high	149 Å²	149	86.5 Å²	86.5	70%	0.696	43%	0.431	S	S	*	.	H	α-helix	trans	-55.3	-37.2	179.4	-65.3	-176.5	-176.8	0	0	113.1	Q70 K71	E67-Q70 PolarHBondContact O-N 2.95Å; E67-K71 WeakPolarHBondContact O-CG 3.43Å; E67-K71 PolarHBondContact O-N 3.3Å
68	A	92.4	Very high	93.3	Very high	71 Å²	71	87.7 Å²	87.7	59%	0.587	45%	0.445	S	S	*	.	H	α-helix	trans	-66.6	-43.5	177	0	0	0	0	0	111.7	S66 Q70 K71 L72	S66-A68 PolarHBondContact O-N 2.91Å; A68-Q70 VanDerWaalsContact C-N 3.34Å; A68-K71 PolarHBondContact O-N 3.39Å; A68-L72 PolarHBondContact O-N 3.48Å
69	E	93.8	Very high	93.5	Very high	36 Å²	36	85.2 Å²	85.2	17%	0.168	44%	0.436	C	S	.	.	H	α-helix	trans	-68.9	-34.4	177.4	-65	165	143.9	0	0	111.4	K62 L65 S66 L72 K73 L94	K62-E69 IonicContact NZ-OE1 3.47Å; K62-E69 PolarHBondContact NZ-OE1 3.23Å; L65-E69 HydrophobicContact CB-CB 4.18Å; L65-E69 HydrophobicContact CD2-CB 3.67Å; S66-E69 WeakPolarHBondContact CB-OE2 3.29Å; S66-E69 PolarHBondContact N-OE2 3.18Å; S66-E69 PolarHBondContact O-N 2.79Å; S66-E69 WeakPolarHBondContact OG-CG 3.37Å; S66-E69 PolarHBondContact OG-N 3.14Å; S66-E69 PolarHBondContact OG-OE2 3.31Å; E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 2.84Å; E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 WeakPolarHBondContact O-CG 3.29Å; E69-K73 PolarHBondContact O-N 3.43Å; E69-L94 HydrophobicContact CB-CD1 4.12Å; E69-L94 HydrophobicContact CB-CD2 4.21Å; E69-L94 HydrophobicContact CG-CD1 4.37Å; E69-L94 HydrophobicContact CG-CD2 3.8Å; E69-L94 WeakPolarHBondContact OE1-CD2 3.48Å
70	Q	94.8	Very high	93.8	Very high	103 Å²	103	89 Å²	89	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-43.6	171.8	-68.9	179.4	23.3	0	0	111.6	L65 S66 E67 A68 L72 K73 Q74	L65-Q70 HydrophobicContact CB-CG 3.67Å; L65-Q70 PolarHBondContact O-NE2 2.98Å; S66-Q70 WeakPolarHBondContact O-CG 3.26Å; S66-Q70 PolarHBondContact O-N 3.3Å; E67-Q70 PolarHBondContact O-N 2.95Å; A68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 2.95Å; Q70-K73 WeakPolarHBondContact O-CB 3.37Å; Q70-K73 PolarHBondContact O-N 3.07Å; Q70-Q74 WeakPolarHBondContact O-CG 3.38Å; Q70-Q74 PolarHBondContact O-N 3.25Å
71	K	95	Very high	93.9	Very high	144 Å²	144	92.6 Å²	92.6	63%	0.626	48%	0.475	S	S	*	.	H	α-helix	trans	-61.1	-40.1	173.1	-72.3	174.6	-170.6	175.8	0	111.4	E67 A68 Q74 K75	E67-K71 WeakPolarHBondContact O-CG 3.43Å; E67-K71 PolarHBondContact O-N 3.3Å; A68-K71 PolarHBondContact O-N 3.39Å; K71-Q74 PolarHBondContact O-N 3.04Å; K71-K75 PolarHBondContact O-N 2.99Å
72	L	95.3	Very high	94	Very high	21 Å²	21	94.7 Å²	94.7	11%	0.11	49%	0.489	C	S	.	.	H	α-helix	trans	-63.6	-40.6	174.8	-175	61.8	0	0	0	111.8	A68 E69 Q70 Q74 K75 E76 L83 E87 A90 L91 L94	A68-L72 PolarHBondContact O-N 3.48Å; E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 2.84Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 2.95Å; L72-Q74 VanDerWaalsContact C-N 3.3Å; L72-Q74 PolarHBondContact O-N 3.31Å; L72-K75 WeakPolarHBondContact O-CB 3.5Å; L72-K75 PolarHBondContact O-N 3.17Å; L72-E76 PolarHBondContact O-N 3.16Å; L72-L83 HydrophobicContact CD1-CD2 4.46Å; L72-E87 HydrophobicContact CD1-CB 3.82Å; L72-E87 HydrophobicContact CD1-CG 3.78Å; L72-A90 HydrophobicContact CD2-CB 3.77Å; L72-L91 HydrophobicContact CD1-CG 4.43Å; L72-L91 HydrophobicContact CD2-CD2 4.13Å; L72-L91 HydrophobicContact CD2-CG 4.05Å; L72-L91 HydrophobicContact CG-CD2 3.85Å; L72-L91 HydrophobicContact CG-CG 3.99Å; L72-L94 HydrophobicContact CD2-CD1 4.44Å
73	K	95.2	Very high	94.2	Very high	59 Å²	59	91.2 Å²	91.2	26%	0.257	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-31.2	172.1	-77.6	-56.8	-159.8	179.5	0	113.4	L65 E69 Q70 E76 L91	L65-K73 HydrophobicContact CD1-CG 4.19Å; L65-K73 HydrophobicContact CD2-CG 4.3Å; E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 WeakPolarHBondContact O-CG 3.29Å; E69-K73 PolarHBondContact O-N 3.43Å; Q70-K73 WeakPolarHBondContact O-CB 3.37Å; Q70-K73 PolarHBondContact O-N 3.07Å; K73-E76 WeakPolarHBondContact CD-OE2 3.21Å; K73-E76 WeakPolarHBondContact CE-OE2 3.36Å; K73-E76 IonicContact NZ-OE1 2.71Å; K73-E76 IonicContact NZ-OE2 2.9Å; K73-E76 PolarHBondContact NZ-OE2 3.42Å; K73-L91 HydrophobicContact CD-CD2 4.06Å
74	Q	95.4	Very high	94.7	Very high	120 Å²	120	90.4 Å²	90.4	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-72.4	-39.8	171.8	-62.1	-60.7	-10.8	0	0	111.6	Q70 K71 L72 E76 K77	Q70-Q74 WeakPolarHBondContact O-CG 3.38Å; Q70-Q74 PolarHBondContact O-N 3.25Å; K71-Q74 PolarHBondContact O-N 3.04Å; L72-Q74 VanDerWaalsContact C-N 3.3Å; L72-Q74 PolarHBondContact O-N 3.31Å; Q74-E76 VanDerWaalsContact C-N 3.3Å; Q74-E76 PolarHBondContact O-N 3.14Å; Q74-K77 WeakPolarHBondContact O-CB 3.21Å; Q74-K77 PolarHBondContact O-N 2.97Å
75	K	94.9	Very high	95	Very high	122 Å²	122	90.3 Å²	90.3	53%	0.53	47%	0.467	S	S	.	.	H	α-helix	trans	-62.2	-35.1	172.9	-78.1	-174.8	169.5	-167.4	0	112.7	K71 L72 K77 G78 L83 E87	K71-K75 PolarHBondContact O-N 2.99Å; L72-K75 WeakPolarHBondContact O-CB 3.5Å; L72-K75 PolarHBondContact O-N 3.17Å; K75-K77 PolarHBondContact O-N 3.46Å; K75-K77 VanDerWaalsContact O-N 3.15Å; K75-G78 PolarHBondContact O-N 2.81Å; K75-L83 HydrophobicContact CB-CD2 4.18Å; K75-E87 IonicContact NZ-OE1 2.63Å; K75-E87 PolarHBondContact NZ-OE1 3.35Å
76	E	95.2	Very high	95.2	Very high	56 Å²	56	95.8 Å²	95.8	26%	0.262	49%	0.492	S	S	.	.	H	α-helix	trans	-56.1	-28.4	177.8	-176.7	-178.7	-164.1	0	0	113.2	L72 K73 Q74 G78 W80 L91	L72-E76 PolarHBondContact O-N 3.16Å; K73-E76 WeakPolarHBondContact CD-OE2 3.21Å; K73-E76 WeakPolarHBondContact CE-OE2 3.36Å; K73-E76 IonicContact NZ-OE1 2.71Å; K73-E76 IonicContact NZ-OE2 2.9Å; K73-E76 PolarHBondContact NZ-OE2 3.42Å; Q74-E76 VanDerWaalsContact C-N 3.3Å; Q74-E76 PolarHBondContact O-N 3.14Å; E76-G78 PolarHBondContact O-N 3.4Å; E76-W80 HydrophobicContact CG-CZ2 4.11Å; E76-W80 PolarHBondContact O-NE1 3.49Å; E76-L91 HydrophobicContact CB-CD1 4.02Å; E76-L91 HydrophobicContact CB-CD2 4.06Å; E76-L91 HydrophobicContact CG-CD1 3.97Å; E76-L91 HydrophobicContact CG-CD2 4.23Å
77	K	95.8	Very high	95.4	Very high	163 Å²	163	94.9 Å²	94.9	71%	0.709	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-17.9	178	-62.3	177	-179.3	170.9	0	113.5	Q74 K75	Q74-K77 WeakPolarHBondContact O-CB 3.21Å; Q74-K77 PolarHBondContact O-N 2.97Å; K75-K77 PolarHBondContact O-N 3.46Å; K75-K77 VanDerWaalsContact O-N 3.15Å
78	G	95.2	Very high	95.5	Very high	36 Å²	36	91.4 Å²	91.4	37%	0.371	46%	0.464	S	S	.	.	S	Bend	trans	-86	-170.9	177.1	0	0	0	0	0	113.3	K75 E76 W80	K75-G78 PolarHBondContact O-N 2.81Å; E76-G78 PolarHBondContact O-N 3.4Å; G78-W80 PolarHBondContact O-N 3.34Å
79	P	96.3	Very high	95.7	Very high	74 Å²	74	92.3 Å²	92.3	48%	0.481	46%	0.462	S	S	.	.			trans	-71	125.9	178	28.2	-33.2	0	0	0	111.9	S81 Q82	P79-S81 PolarHBondContact O-N 2.91Å; P79-S81 VanDerWaalsContact O-N 3.08Å; P79-Q82 HydrophobicContact CG-CG 4.07Å; P79-Q82 PolarHBondContact O-N 2.5Å
80	W	96.6	Very high	95.8	Very high	146 Å²	146	92.6 Å²	92.6	55%	0.553	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-68.5	-9.5	-176.4	-74.5	26.8	0	0	0	114.7	E76 G78 Q82 L83 K88	E76-W80 HydrophobicContact CG-CZ2 4.11Å; E76-W80 PolarHBondContact O-NE1 3.49Å; G78-W80 PolarHBondContact O-N 3.34Å; W80-Q82 PolarHBondContact O-N 2.82Å; W80-L83 HydrophobicContact CB-CD1 4.22Å; W80-L83 HydrophobicContact CD2-CD1 4.28Å; W80-L83 HydrophobicContact CG-CD1 3.91Å; W80-L83 PolarHBondContact O-N 2.9Å; W80-K88 WeakPolarHBondContact O-CE 3.3Å; W80-K88 PolarHBondContact O-NZ 2.63Å
81	S	95.3	Very high	95.9	Very high	118 Å²	118	88.1 Å²	88.1	83%	0.825	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.8	170.5	-52.8	0	0	0	0	112.6	P79	P79-S81 PolarHBondContact O-N 2.91Å; P79-S81 VanDerWaalsContact O-N 3.08Å
82	Q	94.8	Very high	96	Very high	155 Å²	155	85 Å²	85	72%	0.724	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-88.2	-9.1	177.6	-64.3	176.9	-1.5	0	0	113.1	P79 W80	P79-Q82 HydrophobicContact CG-CG 4.07Å; P79-Q82 PolarHBondContact O-N 2.5Å; W80-Q82 PolarHBondContact O-N 2.82Å
83	L	95.8	Very high	96	Very high	13 Å²	13	88.5 Å²	88.5	7%	0.068	45%	0.446	C	S	.	.	S	Bend	trans	-82.5	135.2	177.6	-67.2	170.3	0	0	0	110.5	L72 K75 W80 E87 K88 L91	L72-L83 HydrophobicContact CD1-CD2 4.46Å; K75-L83 HydrophobicContact CB-CD2 4.18Å; W80-L83 HydrophobicContact CB-CD1 4.22Å; W80-L83 HydrophobicContact CD2-CD1 4.28Å; W80-L83 HydrophobicContact CG-CD1 3.91Å; W80-L83 PolarHBondContact O-N 2.9Å; L83-E87 WeakPolarHBondContact CA-OE2 3.33Å; L83-E87 HydrophobicContact CB-CB 4.4Å; L83-E87 HydrophobicContact CD2-CB 4.15Å; L83-K88 HydrophobicContact CB-CG 4Å; L83-K88 HydrophobicContact CD1-CG 4.42Å; L83-K88 WeakPolarHBondContact O-CE 3.38Å; L83-L91 HydrophobicContact CD1-CD1 3.9Å
84	T	96.9	Very high	96	Very high	75 Å²	75	86.1 Å²	86.1	46%	0.46	44%	0.436	S	S	.	.			trans	-68.9	161	170.7	72.4	0	0	0	0	110.8	E86 E87 K88	T84-E86 PolarHBondContact O-N 2.74Å; T84-E87 PolarHBondContact N-OE2 3.47Å; T84-E87 PolarHBondContact O-N 2.67Å; T84-E87 WeakPolarHBondContact OG1-CG 3.33Å; T84-E87 PolarHBondContact OG1-N 2.76Å; T84-E87 VanDerWaalsContact OG1-N 3.17Å; T84-K88 WeakPolarHBondContact O-CG 3.47Å; T84-K88 PolarHBondContact O-N 2.89Å; T84-K88 VanDerWaalsContact O-N 3.08Å
85	N	97.1	Very high	96	Very high	130 Å²	130	84 Å²	84	70%	0.695	43%	0.425	S	S	*	.	H	α-helix	trans	-60.9	-35.4	176.8	-70.9	-26.2	0	0	0	111.9	K88 V89	N85-K88 PolarHBondContact O-N 2.94Å; N85-V89 WeakPolarHBondContact O-CG2 3.36Å; N85-V89 PolarHBondContact O-N 2.79Å
86	E	96.7	Very high	96	Very high	163 Å²	163	79.9 Å²	79.9	76%	0.762	41%	0.407	S	S	*	.	H	α-helix	trans	-67.1	-42.1	176.4	-63.1	177.8	-175.2	0	0	111.8	T84 K88 V89 A90	T84-E86 PolarHBondContact O-N 2.74Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 2.95Å; E86-V89 PolarHBondContact O-N 2.72Å; E86-A90 WeakPolarHBondContact O-CB 3.27Å; E86-A90 PolarHBondContact O-N 3.49Å
87	E	96.4	Very high	96	Very high	38 Å²	38	78.8 Å²	78.8	18%	0.178	41%	0.406	C	S	.	.	H	α-helix	trans	-61.4	-37.9	175.3	-77.4	177.5	147.9	0	0	111.6	L72 K75 L83 T84 A90 L91	L72-E87 HydrophobicContact CD1-CB 3.82Å; L72-E87 HydrophobicContact CD1-CG 3.78Å; K75-E87 IonicContact NZ-OE1 2.63Å; K75-E87 PolarHBondContact NZ-OE1 3.35Å; L83-E87 WeakPolarHBondContact CA-OE2 3.33Å; L83-E87 HydrophobicContact CB-CB 4.4Å; L83-E87 HydrophobicContact CD2-CB 4.15Å; T84-E87 PolarHBondContact N-OE2 3.47Å; T84-E87 PolarHBondContact O-N 2.67Å; T84-E87 WeakPolarHBondContact OG1-CG 3.33Å; T84-E87 PolarHBondContact OG1-N 2.76Å; T84-E87 VanDerWaalsContact OG1-N 3.17Å; E87-A90 PolarHBondContact O-N 3.12Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.18Å
88	K	97	Very high	96	Very high	77 Å²	77	74.8 Å²	74.8	34%	0.335	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-43.9	174.5	-67.8	171.5	-173.2	171.3	0	112.2	W80 L83 T84 N85 E86 A90 L91 Y92	W80-K88 WeakPolarHBondContact O-CE 3.3Å; W80-K88 PolarHBondContact O-NZ 2.63Å; L83-K88 HydrophobicContact CB-CG 4Å; L83-K88 HydrophobicContact CD1-CG 4.42Å; L83-K88 WeakPolarHBondContact O-CE 3.38Å; T84-K88 WeakPolarHBondContact O-CG 3.47Å; T84-K88 PolarHBondContact O-N 2.89Å; T84-K88 VanDerWaalsContact O-N 3.08Å; N85-K88 PolarHBondContact O-N 2.94Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 2.95Å; K88-A90 VanDerWaalsContact C-N 3.33Å; K88-L91 PolarHBondContact O-N 3.47Å; K88-Y92 PolarHBondContact O-N 3.24Å
89	V	96.8	Very high	96	Very high	89 Å²	89	74.1 Å²	74.1	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-38.9	176	173	0	0	0	0	110.9	N85 E86 Y92 R93	N85-V89 WeakPolarHBondContact O-CG2 3.36Å; N85-V89 PolarHBondContact O-N 2.79Å; E86-V89 PolarHBondContact O-N 2.72Å; V89-Y92 WeakPolarHBondContact O-CB 2.79Å; V89-Y92 PolarHBondContact O-N 3.17Å; V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 3.08Å
90	A	95.8	Very high	95.9	Very high	42 Å²	42	74.7 Å²	74.7	35%	0.347	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-49	174.8	0	0	0	0	0	110.9	L72 E86 E87 K88 Y92 R93 L94	L72-A90 HydrophobicContact CD2-CB 3.77Å; E86-A90 WeakPolarHBondContact O-CB 3.27Å; E86-A90 PolarHBondContact O-N 3.49Å; E87-A90 PolarHBondContact O-N 3.12Å; K88-A90 VanDerWaalsContact C-N 3.33Å; A90-Y92 VanDerWaalsContact C-N 3.26Å; A90-Y92 PolarHBondContact O-N 3.05Å; A90-R93 CarbonylContact O-C 3.31Å; A90-R93 PolarHBondContact O-N 2.87Å; A90-R93 VanDerWaalsContact O-N 3.07Å; A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.21Å
91	L	96.5	Very high	95.8	Very high	10 Å²	10	72 Å²	72	5%	0.052	38%	0.376	C	S	.	.	H	α-helix	trans	-55.7	-40.7	173.9	-76	172.3	0	0	0	112.4	L72 K73 E76 L83 E87 K88 L94 K95	L72-L91 HydrophobicContact CD1-CG 4.43Å; L72-L91 HydrophobicContact CD2-CD2 4.13Å; L72-L91 HydrophobicContact CD2-CG 4.05Å; L72-L91 HydrophobicContact CG-CD2 3.85Å; L72-L91 HydrophobicContact CG-CG 3.99Å; K73-L91 HydrophobicContact CD-CD2 4.06Å; E76-L91 HydrophobicContact CB-CD1 4.02Å; E76-L91 HydrophobicContact CB-CD2 4.06Å; E76-L91 HydrophobicContact CG-CD1 3.97Å; E76-L91 HydrophobicContact CG-CD2 4.23Å; L83-L91 HydrophobicContact CD1-CD1 3.9Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.18Å; K88-L91 PolarHBondContact O-N 3.47Å; L91-L94 HydrophobicContact CD2-CD1 4.31Å; L91-L94 WeakPolarHBondContact O-CB 3.25Å; L91-L94 PolarHBondContact O-N 2.6Å; L91-K95 PolarHBondContact O-N 3.34Å
92	Y	96.6	Very high	95.8	Very high	77 Å²	77	70.2 Å²	70.2	30%	0.302	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-48.5	174.4	-175.9	-95.4	0	0	0	111.6	K88 V89 A90 L94 K95 F96 Q98 S99	K88-Y92 PolarHBondContact O-N 3.24Å; V89-Y92 WeakPolarHBondContact O-CB 2.79Å; V89-Y92 PolarHBondContact O-N 3.17Å; A90-Y92 VanDerWaalsContact C-N 3.26Å; A90-Y92 PolarHBondContact O-N 3.05Å; Y92-L94 VanDerWaalsContact C-N 3.25Å; Y92-L94 PolarHBondContact O-N 3.3Å; Y92-K95 PolarHBondContact O-N 3.24Å; Y92-K95 VanDerWaalsContact O-N 3.14Å; Y92-F96 AromaticContact CD2-CD2 3.7Å; Y92-F96 HydrophobicContact CD2-CD2 3.7Å; Y92-F96 HydrophobicContact CD2-CE2 4.27Å; Y92-F96 HydrophobicContact CE1-CB 4.1Å; Y92-F96 HydrophobicContact CE2-CB 4.37Å; Y92-F96 AromaticContact CE2-CD2 3.44Å; Y92-F96 HydrophobicContact CE2-CD2 3.44Å; Y92-F96 VanDerWaalsContact CE2-CD2 3.44Å; Y92-F96 HydrophobicContact CE2-CE2 4Å; Y92-F96 HydrophobicContact CE2-CG 4.14Å; Y92-F96 HydrophobicContact CG-CD2 4.37Å; Y92-F96 AromaticContact CZ-CD2 3.94Å; Y92-F96 PolarHBondContact O-N 3.02Å; Y92-Q98 PolarHBondContact OH-O 2.8Å; Y92-S99 WeakPolarHBondContact OH-CA 2.77Å
93	R	95.8	Very high	95.8	Very high	95 Å²	95	64.8 Å²	64.8	36%	0.358	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-16.4	178.9	-66.2	-65.7	-173.8	177.5	-0.1	114.3	V89 A90 F96 C97 E102	V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 3.08Å; A90-R93 CarbonylContact O-C 3.31Å; A90-R93 PolarHBondContact O-N 2.87Å; A90-R93 VanDerWaalsContact O-N 3.07Å; R93-F96 CarbonylContact C-O 3.59Å; R93-F96 VanDerWaalsContact CA-O 3.29Å; R93-F96 WeakPolarHBondContact CA-O 3.19Å; R93-C97 PolarHBondContact NH1-O 3.13Å; R93-E102 IonicContact CZ-OE1 3.49Å; R93-E102 IonicContact CZ-OE2 2.79Å; R93-E102 IonicContact NH1-OE1 3.74Å; R93-E102 PolarHBondContact NH1-OE1 2.89Å; R93-E102 IonicContact NH1-OE2 2.72Å; R93-E102 PolarHBondContact NH1-OE2 2.99Å; R93-E102 IonicContact NH2-OE1 2.87Å; R93-E102 PolarHBondContact NH2-OE1 3.42Å; R93-E102 IonicContact NH2-OE2 3.58Å; R93-E102 PolarHBondContact NH2-OE2 3.49Å
94	L	95.4	Very high	95.7	Very high	9 Å²	9	72 Å²	72	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-74.8	-41.2	169.1	-65.4	-178.8	0	0	0	111.5	K62 L65 E69 L72 A90 L91 Y92	K62-L94 HydrophobicContact CD-CD2 3.8Å; K62-L94 PolarHBondContact N-O 3.01Å; L65-L94 HydrophobicContact CD2-CD1 3.9Å; L65-L94 HydrophobicContact CD2-CD2 4.05Å; L65-L94 HydrophobicContact CD2-CG 4.45Å; E69-L94 HydrophobicContact CB-CD1 4.12Å; E69-L94 HydrophobicContact CB-CD2 4.21Å; E69-L94 HydrophobicContact CG-CD1 4.37Å; E69-L94 HydrophobicContact CG-CD2 3.8Å; E69-L94 WeakPolarHBondContact OE1-CD2 3.48Å; L72-L94 HydrophobicContact CD2-CD1 4.44Å; A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.21Å; L91-L94 HydrophobicContact CD2-CD1 4.31Å; L91-L94 WeakPolarHBondContact O-CB 3.25Å; L91-L94 PolarHBondContact O-N 2.6Å; Y92-L94 VanDerWaalsContact C-N 3.25Å; Y92-L94 PolarHBondContact O-N 3.3Å
95	K	94.8	Very high	95.7	Very high	75 Å²	75	71.4 Å²	71.4	33%	0.326	36%	0.358	S	S	.	.	H	α-helix	trans	-81.9	-40.8	-177.9	-174.7	70.4	-176.8	175.2	0	111.7	Y48 P60 Y61 L91 Y92	Y48-K95 WeakPolarHBondContact CE2-O 3.33Å; P60-K95 HydrophobicContact CB-CD 4.14Å; Y61-K95 PolarHBondContact N-O 3.46Å; L91-K95 PolarHBondContact O-N 3.34Å; Y92-K95 PolarHBondContact O-N 3.24Å; Y92-K95 VanDerWaalsContact O-N 3.14Å
96	F	96.3	Very high	95.5	Very high	36 Å²	36	71.4 Å²	71.4	16%	0.158	37%	0.365	C	S	.	.			trans	-125	139.8	-173.9	-56.3	-78.2	0	0	0	112.1	Y48 P55 L56 P57 Y92 R93	Y48-F96 WeakPolarHBondContact OH-CA 3.4Å; P55-F96 VanDerWaalsContact O-CE1 3.28Å; P55-F96 WeakPolarHBondContact O-CE1 3.44Å; L56-F96 HydrophobicContact CD2-CZ 4.03Å; P57-F96 HydrophobicContact CG-CD1 4.38Å; P57-F96 HydrophobicContact CG-CE1 4.23Å; Y92-F96 AromaticContact CD2-CD2 3.7Å; Y92-F96 HydrophobicContact CD2-CD2 3.7Å; Y92-F96 HydrophobicContact CD2-CE2 4.27Å; Y92-F96 HydrophobicContact CE1-CB 4.1Å; Y92-F96 HydrophobicContact CE2-CB 4.37Å; Y92-F96 AromaticContact CE2-CD2 3.44Å; Y92-F96 HydrophobicContact CE2-CD2 3.44Å; Y92-F96 VanDerWaalsContact CE2-CD2 3.44Å; Y92-F96 HydrophobicContact CE2-CE2 4Å; Y92-F96 HydrophobicContact CE2-CG 4.14Å; Y92-F96 HydrophobicContact CG-CD2 4.37Å; Y92-F96 AromaticContact CZ-CD2 3.94Å; Y92-F96 PolarHBondContact O-N 3.02Å; R93-F96 CarbonylContact C-O 3.59Å; R93-F96 VanDerWaalsContact CA-O 3.29Å; R93-F96 WeakPolarHBondContact CA-O 3.19Å
97	C	94.3	Very high	95.4	Very high	34 Å²	34	66.9 Å²	66.9	23%	0.23	35%	0.352	C	S	.	.	S	Bend	trans	-76.3	-54.9	174.5	-176.5	0	0	0	0	110.8	Y48 D50 Y61 R93	Y48-C97 HydrophobicContact CE1-CB 3.79Å; Y48-C97 PolarHBondContact OH-N 3.45Å; D50-C97 WeakPolarHBondContact OD2-CB 3.45Å; Y61-C97 HydrophobicContact CD1-CB 4.06Å; Y61-C97 HydrophobicContact CD2-CB 3.5Å; Y61-C97 VanDerWaalsContact CD2-CB 3.5Å; Y61-C97 HydrophobicContact CE1-CB 4.19Å; Y61-C97 HydrophobicContact CE2-CB 3.63Å; Y61-C97 HydrophobicContact CG-CB 3.72Å; R93-C97 PolarHBondContact NH1-O 3.13Å
98	Q	94.9	Very high	95.4	Very high	79 Å²	79	67.9 Å²	67.9	37%	0.369	37%	0.367	S	S	.	.	S	Bend	trans	-112.3	150.1	-176.9	-63.3	-175.2	-2.1	0	0	112.6	D50 Y92 E102 M103	D50-Q98 WeakPolarHBondContact OD2-CG 3.41Å; D50-Q98 PolarHBondContact OD2-N 2.75Å; Y92-Q98 PolarHBondContact OH-O 2.8Å; Q98-E102 WeakPolarHBondContact CA-OE2 3.36Å; Q98-E102 HydrophobicContact CB-CB 4.17Å; Q98-M103 HydrophobicContact CB-CG 3.65Å; Q98-M103 HydrophobicContact CB-SD 4.46Å
99	S	95.8	Very high	95.4	Very high	21 Å²	21	70.6 Å²	70.6	15%	0.147	38%	0.381	C	S	.	.			trans	-82.6	160.5	167.5	65.4	0	0	0	0	112.2	Y92 S101 E102 M103	Y92-S99 WeakPolarHBondContact OH-CA 2.77Å; S99-S101 PolarHBondContact O-N 3.12Å; S99-S101 VanDerWaalsContact O-N 3.14Å; S99-S101 PolarHBondContact OG-OG 3.35Å; S99-E102 PolarHBondContact N-OE2 2.83Å; S99-E102 WeakPolarHBondContact O-CA 3.5Å; S99-E102 WeakPolarHBondContact O-CB 3.32Å; S99-E102 PolarHBondContact O-N 3.08Å; S99-E102 WeakPolarHBondContact OG-CG 3.2Å; S99-E102 PolarHBondContact OG-N 2.9Å; S99-E102 PolarHBondContact OG-OE2 3.5Å; S99-M103 WeakPolarHBondContact O-CG 3.41Å; S99-M103 PolarHBondContact O-N 3.35Å
100	Y	95.1	Very high	95.4	Very high	86 Å²	86	74 Å²	74	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-55.4	-33.3	176.1	-95.3	-101.8	0	0	0	113.5	V52 P55 R104	V52-Y100 HydrophobicContact CG1-CE1 3.97Å; V52-Y100 PolarHBondContact O-OH 2.97Å; P55-Y100 WeakPolarHBondContact CA-OH 3.43Å; P55-Y100 VanDerWaalsContact CB-OH 3.24Å; P55-Y100 WeakPolarHBondContact CB-OH 3.49Å; Y100-R104 WeakPolarHBondContact O-CB 3.48Å; Y100-R104 VanDerWaalsContact O-CG 3.3Å; Y100-R104 WeakPolarHBondContact O-CG 3.06Å; Y100-R104 PolarHBondContact O-N 2.98Å; Y100-R104 VanDerWaalsContact O-N 3.16Å
101	S	94.8	Very high	95.5	Very high	91 Å²	91	78 Å²	78	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-70.7	-36.4	174.7	42.2	0	0	0	0	112.9	S99 A105	S99-S101 PolarHBondContact O-N 3.12Å; S99-S101 VanDerWaalsContact O-N 3.14Å; S99-S101 PolarHBondContact OG-OG 3.35Å; S101-A105 PolarHBondContact O-N 3.13Å
102	E	95.4	Very high	95.5	Very high	79 Å²	79	82.8 Å²	82.8	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-71.5	-43.6	177.1	-71.6	164.9	-179.4	0	0	110.8	R93 Q98 S99 R104 A105	R93-E102 IonicContact CZ-OE1 3.49Å; R93-E102 IonicContact CZ-OE2 2.79Å; R93-E102 IonicContact NH1-OE1 3.74Å; R93-E102 PolarHBondContact NH1-OE1 2.89Å; R93-E102 IonicContact NH1-OE2 2.72Å; R93-E102 PolarHBondContact NH1-OE2 2.99Å; R93-E102 IonicContact NH2-OE1 2.87Å; R93-E102 PolarHBondContact NH2-OE1 3.42Å; R93-E102 IonicContact NH2-OE2 3.58Å; R93-E102 PolarHBondContact NH2-OE2 3.49Å; Q98-E102 WeakPolarHBondContact CA-OE2 3.36Å; Q98-E102 HydrophobicContact CB-CB 4.17Å; S99-E102 PolarHBondContact N-OE2 2.83Å; S99-E102 WeakPolarHBondContact O-CA 3.5Å; S99-E102 WeakPolarHBondContact O-CB 3.32Å; S99-E102 PolarHBondContact O-N 3.08Å; S99-E102 WeakPolarHBondContact OG-CG 3.2Å; S99-E102 PolarHBondContact OG-N 2.9Å; S99-E102 PolarHBondContact OG-OE2 3.5Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-A105 WeakPolarHBondContact O-CB 3.42Å; E102-A105 PolarHBondContact O-N 3.48Å; E102-A105 VanDerWaalsContact O-N 3.12Å
103	M	93.9	Very high	95.6	Very high	41 Å²	41	83.7 Å²	83.7	20%	0.202	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-33.9	177.3	-66.4	165.9	55.2	0	0	112.7	D50 V52 Q98 S99	D50-M103 VanDerWaalsContact C-CE 3.48Å; D50-M103 HydrophobicContact CB-CE 4.12Å; D50-M103 HydrophobicContact CB-CG 4.05Å; D50-M103 HydrophobicContact CB-SD 3.91Å; V52-M103 HydrophobicContact CG2-CE 3.74Å; Q98-M103 HydrophobicContact CB-CG 3.65Å; Q98-M103 HydrophobicContact CB-SD 4.46Å; S99-M103 WeakPolarHBondContact O-CG 3.41Å; S99-M103 PolarHBondContact O-N 3.35Å
104	R	94.4	Very high	95.7	Very high	165 Å²	165	83.3 Å²	83.3	62%	0.623	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	4	178.3	-67.9	-178.4	176.7	-176.5	0.1	113.1	V52 Y100 E102	V52-R104 HydrophobicContact CG2-CG 4.32Å; Y100-R104 WeakPolarHBondContact O-CB 3.48Å; Y100-R104 VanDerWaalsContact O-CG 3.3Å; Y100-R104 WeakPolarHBondContact O-CG 3.06Å; Y100-R104 PolarHBondContact O-N 2.98Å; Y100-R104 VanDerWaalsContact O-N 3.16Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 3.37Å
105	A	95.2	Very high	95.9	Very high	62 Å²	62	84.8 Å²	84.8	51%	0.512	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.3	126	-179.8	0	0	0	0	0	109.6	S101 E102	S101-A105 PolarHBondContact O-N 3.13Å; E102-A105 WeakPolarHBondContact O-CB 3.42Å; E102-A105 PolarHBondContact O-N 3.48Å; E102-A105 VanDerWaalsContact O-N 3.12Å
106	P	94.6	Very high	96	Very high	130 Å²	130	82.5 Å²	82.5	84%	0.844	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-69.1	137.6	-177.3	27.6	-34.2	0	0	0	110.9
107	S	94.7	Very high	96.1	Very high	69 Å²	69	84.5 Å²	84.5	48%	0.483	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-93.6	151.2	172.5	81	0	0	0	0	111.4	E109	S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 PolarHBondContact OG-OE2 3.21Å
108	A	96.5	Very high	96.3	Very high	58 Å²	58	88 Å²	88	48%	0.479	49%	0.487	S	S	.	.	S	Bend	trans	-91.6	12.9	175.7	0	0	0	0	0	113	W110 K111	A108-W110 PolarHBondContact O-N 3.24Å; A108-K111 HydrophobicContact CB-CD 4.44Å; A108-K111 WeakPolarHBondContact O-CB 3.36Å; A108-K111 PolarHBondContact O-N 2.83Å; A108-K111 VanDerWaalsContact O-N 3.08Å
109	E	96.2	Very high	96.5	Very high	135 Å²	135	90.4 Å²	90.4	63%	0.631	50%	0.497	S	S	*	.	H	α-helix	trans	-61.9	-30.9	-173	-67.4	174	165.8	0	0	112.9	S107 K111 T112 V113	S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 PolarHBondContact OG-OE2 3.21Å; E109-K111 PolarHBondContact O-N 3.17Å; E109-K111 VanDerWaalsContact O-N 3.12Å; E109-T112 WeakPolarHBondContact O-CA 3.27Å; E109-T112 WeakPolarHBondContact O-CB 3.3Å; E109-T112 PolarHBondContact O-N 3Å; E109-V113 PolarHBondContact O-N 3.5Å
110	W	96.8	Very high	96.6	Very high	159 Å²	159	95.7 Å²	95.7	60%	0.602	52%	0.517	S	S	*	.	H	α-helix	trans	-55.9	-30.8	176.2	75.2	-94.6	0	0	0	112.7	A108 V113 L114	A108-W110 PolarHBondContact O-N 3.24Å; W110-V113 PolarHBondContact O-N 3.21Å; W110-L114 HydrophobicContact CE3-CD2 4.35Å; W110-L114 HydrophobicContact CZ3-CD2 3.92Å; W110-L114 VanDerWaalsContact O-CB 3.27Å; W110-L114 WeakPolarHBondContact O-CB 3.5Å; W110-L114 PolarHBondContact O-N 2.78Å
111	K	96.8	Very high	96.8	Very high	126 Å²	126	97 Å²	97	55%	0.548	53%	0.529	S	S	.	.	H	α-helix	trans	-68	-41.3	176.8	-61.3	-178.5	-179.2	177	0	111	A108 E109 G115	A108-K111 HydrophobicContact CB-CD 4.44Å; A108-K111 WeakPolarHBondContact O-CB 3.36Å; A108-K111 PolarHBondContact O-N 2.83Å; A108-K111 VanDerWaalsContact O-N 3.08Å; E109-K111 PolarHBondContact O-N 3.17Å; E109-K111 VanDerWaalsContact O-N 3.12Å; K111-G115 PolarHBondContact O-N 3.04Å
112	T	97.9	Very high	96.9	Very high	112 Å²	112	94.7 Å²	94.7	69%	0.687	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-44.1	176.3	-53.1	0	0	0	0	110.7	E109 G115 G116	E109-T112 WeakPolarHBondContact O-CA 3.27Å; E109-T112 WeakPolarHBondContact O-CB 3.3Å; E109-T112 PolarHBondContact O-N 3Å; T112-G115 PolarHBondContact O-N 3.48Å; T112-G116 PolarHBondContact O-N 2.93Å
113	V	98.1	Very high	97.1	Very high	96 Å²	96	96.2 Å²	96.2	58%	0.582	53%	0.526	S	S	*	.	H	α-helix	trans	-59.7	-51.3	176.5	175.6	0	0	0	0	110.4	E109 W110 G115 G116 V117	E109-V113 PolarHBondContact O-N 3.5Å; W110-V113 PolarHBondContact O-N 3.21Å; V113-G115 PolarHBondContact O-N 3.39Å; V113-G116 PolarHBondContact O-N 3.49Å; V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 3.23Å
114	L	98.3	Very high	97.3	Very high	87 Å²	87	98.1 Å²	98.1	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-42.9	-179.8	-174.9	62.6	0	0	0	112	W110 G116 V117 L118	W110-L114 HydrophobicContact CE3-CD2 4.35Å; W110-L114 HydrophobicContact CZ3-CD2 3.92Å; W110-L114 VanDerWaalsContact O-CB 3.27Å; W110-L114 WeakPolarHBondContact O-CB 3.5Å; W110-L114 PolarHBondContact O-N 2.78Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 3.48Å; L114-V117 PolarHBondContact O-N 2.88Å; L114-L118 HydrophobicContact CD1-CD1 4.43Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.26Å; L114-L118 PolarHBondContact O-N 3.44Å
115	G	98.3	Very high	97.4	Very high	39 Å²	39	92.2 Å²	92.2	40%	0.402	53%	0.53	S	S	.	.	H	α-helix	trans	-60.2	-43.8	175.2	0	0	0	0	0	112.4	K111 T112 V113 L118 F119	K111-G115 PolarHBondContact O-N 3.04Å; T112-G115 PolarHBondContact O-N 3.48Å; V113-G115 PolarHBondContact O-N 3.39Å; G115-L118 PolarHBondContact O-N 3.42Å; G115-F119 VanDerWaalsContact O-CB 3.3Å; G115-F119 WeakPolarHBondContact O-CB 3.4Å; G115-F119 PolarHBondContact O-N 2.97Å
116	G	98.4	Very high	97.5	Very high	28 Å²	28	94.5 Å²	94.5	29%	0.289	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-47.1	176.2	0	0	0	0	0	112.5	T112 V113 L114 L118 F119 F120	T112-G116 PolarHBondContact O-N 2.93Å; V113-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 3.48Å; G116-L118 PolarHBondContact O-N 2.89Å; G116-F119 PolarHBondContact O-N 3Å; G116-F120 WeakPolarHBondContact O-CD2 3.43Å; G116-F120 PolarHBondContact O-N 3Å
117	V	98.6	Very high	97.7	Very high	78 Å²	78	91 Å²	91	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-58.7	-49.6	177.7	171.8	0	0	0	0	110.8	V113 L114 F119 F120 L121	V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 3.23Å; L114-V117 PolarHBondContact O-N 2.88Å; V117-F119 VanDerWaalsContact C-N 3.33Å; V117-F119 PolarHBondContact O-N 3.29Å; V117-F120 PolarHBondContact O-N 3.33Å; V117-L121 HydrophobicContact CG1-CD1 3.92Å; V117-L121 HydrophobicContact CG1-CG 4.45Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 WeakPolarHBondContact O-CG 3.28Å; V117-L121 PolarHBondContact O-N 3.28Å
118	L	98.4	Very high	97.8	Very high	106 Å²	106	91.2 Å²	91.2	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-36.7	-179.6	-68.6	174.8	0	0	0	112.5	L114 G115 G116 L121 G122	L114-L118 HydrophobicContact CD1-CD1 4.43Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.26Å; L114-L118 PolarHBondContact O-N 3.44Å; G115-L118 PolarHBondContact O-N 3.42Å; G116-L118 PolarHBondContact O-N 2.89Å; L118-L121 HydrophobicContact CD2-CD1 4.5Å; L118-L121 PolarHBondContact O-N 3.02Å; L118-G122 PolarHBondContact O-N 3.26Å
119	F	98.4	Very high	97.9	Very high	131 Å²	131	96 Å²	96	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-60.9	-49.6	175.1	174.5	-97.5	0	0	0	111.5	G115 G116 V117 G122 F123	G115-F119 VanDerWaalsContact O-CB 3.3Å; G115-F119 WeakPolarHBondContact O-CB 3.4Å; G115-F119 PolarHBondContact O-N 2.97Å; G116-F119 PolarHBondContact O-N 3Å; V117-F119 VanDerWaalsContact C-N 3.33Å; V117-F119 PolarHBondContact O-N 3.29Å; F119-G122 PolarHBondContact O-N 3.47Å; F119-F123 WeakPolarHBondContact O-CB 3.29Å; F119-F123 PolarHBondContact O-N 3Å
120	F	98.3	Very high	98	Very high	132 Å²	132	96 Å²	96	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-68.6	-36.5	179.7	-74.9	-66	0	0	0	112.5	G116 V117 F123 T124	G116-F120 WeakPolarHBondContact O-CD2 3.43Å; G116-F120 PolarHBondContact O-N 3Å; V117-F120 PolarHBondContact O-N 3.33Å; F120-F123 PolarHBondContact O-N 2.78Å; F120-T124 WeakPolarHBondContact O-CB 3.44Å; F120-T124 PolarHBondContact O-N 3.3Å; F120-T124 PolarHBondContact O-OG1 3.49Å
121	L	98.4	Very high	98	Very high	112 Å²	112	91.5 Å²	91.5	59%	0.586	49%	0.493	S	S	*	.	H	α-helix	trans	-60.2	-45.5	171.8	-75.4	172.7	0	0	0	111.9	V117 L118 T124 G125	V117-L121 HydrophobicContact CG1-CD1 3.92Å; V117-L121 HydrophobicContact CG1-CG 4.45Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 WeakPolarHBondContact O-CG 3.28Å; V117-L121 PolarHBondContact O-N 3.28Å; L118-L121 HydrophobicContact CD2-CD1 4.5Å; L118-L121 PolarHBondContact O-N 3.02Å; L121-T124 PolarHBondContact O-N 3.49Å; L121-G125 PolarHBondContact O-N 3.31Å
122	G	97.9	Very high	97.9	Very high	44 Å²	44	91.2 Å²	91.2	45%	0.454	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-44.4	175.1	0	0	0	0	0	112	L118 F119 G125 L126	L118-G122 PolarHBondContact O-N 3.26Å; F119-G122 PolarHBondContact O-N 3.47Å; G122-G125 PolarHBondContact O-N 2.95Å; G122-G125 VanDerWaalsContact O-N 3.16Å; G122-L126 PolarHBondContact O-N 2.73Å; G122-L126 VanDerWaalsContact O-N 3.16Å
123	F	98.2	Very high	97.8	Very high	111 Å²	111	90 Å²	90	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-43.1	177	-176.3	-102.9	0	0	0	112.4	F119 F120 G125 L126 V127	F119-F123 WeakPolarHBondContact O-CB 3.29Å; F119-F123 PolarHBondContact O-N 3Å; F120-F123 PolarHBondContact O-N 2.78Å; F123-G125 VanDerWaalsContact C-N 3.27Å; F123-G125 PolarHBondContact O-N 3.35Å; F123-L126 WeakPolarHBondContact O-CB 3.24Å; F123-L126 PolarHBondContact O-N 3.07Å; F123-L126 VanDerWaalsContact O-N 3.11Å; F123-V127 HydrophobicContact CD1-CG2 4.39Å; F123-V127 HydrophobicContact CE1-CG2 4.02Å; F123-V127 HydrophobicContact CZ-CG2 4.32Å; F123-V127 PolarHBondContact O-N 2.87Å; F123-V127 VanDerWaalsContact O-N 3.11Å
124	T	98.3	Very high	97.7	Very high	80 Å²	80	93 Å²	93	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-39.2	173.4	-57.5	0	0	0	0	111.5	F120 L121 L126 V127 V128	F120-T124 WeakPolarHBondContact O-CB 3.44Å; F120-T124 PolarHBondContact O-N 3.3Å; F120-T124 PolarHBondContact O-OG1 3.49Å; L121-T124 PolarHBondContact O-N 3.49Å; T124-L126 VanDerWaalsContact C-N 3.31Å; T124-L126 PolarHBondContact O-N 3.31Å; T124-V127 PolarHBondContact O-N 2.93Å; T124-V128 WeakPolarHBondContact O-CG2 3.4Å; T124-V128 PolarHBondContact O-N 3.04Å
125	G	97.9	Very high	97.6	Very high	41 Å²	41	92.9 Å²	92.9	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-57.5	-41.2	173.4	0	0	0	0	0	113.2	L121 G122 F123 V128 W129	L121-G125 PolarHBondContact O-N 3.31Å; G122-G125 PolarHBondContact O-N 2.95Å; G122-G125 VanDerWaalsContact O-N 3.16Å; F123-G125 VanDerWaalsContact C-N 3.27Å; F123-G125 PolarHBondContact O-N 3.35Å; G125-V128 PolarHBondContact O-N 3.31Å; G125-W129 WeakPolarHBondContact O-CB 3.36Å; G125-W129 PolarHBondContact O-N 3.42Å
126	L	97.6	Very high	97.5	Very high	110 Å²	110	97 Å²	97	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-65.1	-39.7	175.6	-63.4	175.9	0	0	0	112.2	G122 F123 T124 W129 W130	G122-L126 PolarHBondContact O-N 2.73Å; G122-L126 VanDerWaalsContact O-N 3.16Å; F123-L126 WeakPolarHBondContact O-CB 3.24Å; F123-L126 PolarHBondContact O-N 3.07Å; F123-L126 VanDerWaalsContact O-N 3.11Å; T124-L126 VanDerWaalsContact C-N 3.31Å; T124-L126 PolarHBondContact O-N 3.31Å; L126-W129 PolarHBondContact O-N 2.84Å; L126-W130 PolarHBondContact O-N 3.02Å
127	V	97.6	Very high	97.2	Very high	58 Å²	58	100.4 Å²	100.4	35%	0.352	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.1	175.4	0	0	0	0	110.9	F123 T124 W129 W130 Q131	F123-V127 HydrophobicContact CD1-CG2 4.39Å; F123-V127 HydrophobicContact CE1-CG2 4.02Å; F123-V127 HydrophobicContact CZ-CG2 4.32Å; F123-V127 PolarHBondContact O-N 2.87Å; F123-V127 VanDerWaalsContact O-N 3.11Å; T124-V127 PolarHBondContact O-N 2.93Å; V127-W129 VanDerWaalsContact C-N 3.33Å; V127-W129 PolarHBondContact O-N 2.88Å; V127-W130 PolarHBondContact O-N 3.44Å; V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 3.31Å
128	V	97.5	Very high	96.9	Very high	73 Å²	73	102.4 Å²	102.4	44%	0.442	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-40.4	177.5	172.6	0	0	0	0	111.2	T124 G125 Q131 R132	T124-V128 WeakPolarHBondContact O-CG2 3.4Å; T124-V128 PolarHBondContact O-N 3.04Å; G125-V128 PolarHBondContact O-N 3.31Å; V128-Q131 PolarHBondContact O-N 3.15Å; V128-R132 WeakPolarHBondContact O-CB 3.46Å; V128-R132 PolarHBondContact O-N 2.96Å
129	W	97.6	Very high	96.6	Very high	158 Å²	158	105.5 Å²	105.5	60%	0.598	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-44.8	174.8	176	79.7	0	0	0	112	G125 L126 V127 R132 I133	G125-W129 WeakPolarHBondContact O-CB 3.36Å; G125-W129 PolarHBondContact O-N 3.42Å; L126-W129 PolarHBondContact O-N 2.84Å; V127-W129 VanDerWaalsContact C-N 3.33Å; V127-W129 PolarHBondContact O-N 2.88Å; W129-R132 WeakPolarHBondContact O-CB 3.33Å; W129-R132 PolarHBondContact O-N 3.29Å; W129-I133 HydrophobicContact CD2-CD1 3.93Å; W129-I133 HydrophobicContact CE3-CD1 4.43Å; W129-I133 HydrophobicContact CH2-CD1 3.85Å; W129-I133 HydrophobicContact CZ2-CD1 3.25Å; W129-I133 HydrophobicContact CZ3-CD1 4.39Å; W129-I133 PolarHBondContact O-N 3.48Å
130	W	97.9	Very high	96.4	Very high	135 Å²	135	102.9 Å²	102.9	51%	0.511	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175.6	176.1	84.8	0	0	0	111.9	L126 V127 R132 I133 Y134 V135	L126-W130 PolarHBondContact O-N 3.02Å; V127-W130 PolarHBondContact O-N 3.44Å; W130-R132 PolarHBondContact O-N 2.95Å; W130-I133 PolarHBondContact O-N 2.95Å; W130-Y134 AromaticContact CD1-CD2 3.37Å; W130-Y134 AromaticContact CD1-CE2 3.73Å; W130-Y134 HydrophobicContact CD2-CD2 4.5Å; W130-Y134 HydrophobicContact CG-CD2 4.05Å; W130-Y134 AromaticContact NE1-CD2 3.42Å; W130-Y134 AromaticContact NE1-CE2 3.97Å; W130-Y134 WeakPolarHBondContact O-CD2 3.5Å; W130-Y134 PolarHBondContact O-N 3.08Å; W130-V135 HydrophobicContact CE3-CG2 4.25Å; W130-V135 HydrophobicContact CH2-CG2 3.82Å; W130-V135 HydrophobicContact CZ3-CG2 3.62Å
131	Q	97.5	Very high	96.2	Very high	64 Å²	64	104.2 Å²	104.2	30%	0.299	52%	0.519	S	S	.	.	H	α-helix	trans	-57.4	-39.6	174.8	-72.3	176.2	-31.6	0	0	111.6	V127 V128 I133 V135 Y136	V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 3.31Å; V128-Q131 PolarHBondContact O-N 3.15Å; Q131-I133 VanDerWaalsContact C-N 3.28Å; Q131-I133 PolarHBondContact O-N 2.86Å; Q131-V135 HydrophobicContact CB-CB 4.41Å; Q131-V135 HydrophobicContact CG-CG2 4.47Å; Q131-V135 WeakPolarHBondContact O-CA 3.34Å; Q131-V135 WeakPolarHBondContact O-CB 3.44Å; Q131-V135 PolarHBondContact O-N 3.13Å; Q131-Y136 HydrophobicContact CB-CE2 4.3Å; Q131-Y136 PolarHBondContact O-N 2.88Å
132	R	95.3	Very high	96.1	Very high	121 Å²	121	101.9 Å²	101.9	46%	0.457	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-29.7	-178.9	-177.4	61.8	-177.9	89.7	0.1	114.1	V128 W129 W130 Y136	V128-R132 WeakPolarHBondContact O-CB 3.46Å; V128-R132 PolarHBondContact O-N 2.96Å; W129-R132 WeakPolarHBondContact O-CB 3.33Å; W129-R132 PolarHBondContact O-N 3.29Å; W130-R132 PolarHBondContact O-N 2.95Å; R132-Y136 HydrophobicContact CB-CD2 4.41Å
133	I	95.4	Very high	95.9	Very high	86 Å²	86	103.7 Å²	103.7	44%	0.441	51%	0.509	S	S	.	.	H	α-helix	trans	-90.3	-44.3	-179.2	-66	174.6	0	0	0	111.4	W129 W130 Q131	W129-I133 HydrophobicContact CD2-CD1 3.93Å; W129-I133 HydrophobicContact CE3-CD1 4.43Å; W129-I133 HydrophobicContact CH2-CD1 3.85Å; W129-I133 HydrophobicContact CZ2-CD1 3.25Å; W129-I133 HydrophobicContact CZ3-CD1 4.39Å; W129-I133 PolarHBondContact O-N 3.48Å; W130-I133 PolarHBondContact O-N 2.95Å; Q131-I133 VanDerWaalsContact C-N 3.28Å; Q131-I133 PolarHBondContact O-N 2.86Å
134	Y	95.9	Very high	95.8	Very high	160 Å²	160	103.3 Å²	103.3	63%	0.627	51%	0.509	S	S	*	.	H	α-helix	trans	-106.8	-20.9	-166.8	-63.8	-75.1	0	0	0	114.8	W130	W130-Y134 AromaticContact CD1-CD2 3.37Å; W130-Y134 AromaticContact CD1-CE2 3.73Å; W130-Y134 HydrophobicContact CD2-CD2 4.5Å; W130-Y134 HydrophobicContact CG-CD2 4.05Å; W130-Y134 AromaticContact NE1-CD2 3.42Å; W130-Y134 AromaticContact NE1-CE2 3.97Å; W130-Y134 WeakPolarHBondContact O-CD2 3.5Å; W130-Y134 PolarHBondContact O-N 3.08Å
135	V	96.9	Very high	95.6	Very high	83 Å²	83	105.2 Å²	105.2	50%	0.503	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-43.1	-172.3	-177.4	0	0	0	0	111.8	W130 Q131	W130-V135 HydrophobicContact CE3-CG2 4.25Å; W130-V135 HydrophobicContact CH2-CG2 3.82Å; W130-V135 HydrophobicContact CZ3-CG2 3.62Å; Q131-V135 HydrophobicContact CB-CB 4.41Å; Q131-V135 HydrophobicContact CG-CG2 4.47Å; Q131-V135 WeakPolarHBondContact O-CA 3.34Å; Q131-V135 WeakPolarHBondContact O-CB 3.44Å; Q131-V135 PolarHBondContact O-N 3.13Å
136	Y	94.6	Very high	95.6	Very high	126 Å²	126	109.3 Å²	109.3	49%	0.494	53%	0.528	S	S	.	.	S	Bend	trans	-75.3	135.5	-174.4	-69.5	-35.6	0	0	0	113.1	Q131 R132	Q131-Y136 HydrophobicContact CB-CE2 4.3Å; Q131-Y136 PolarHBondContact O-N 2.88Å; R132-Y136 HydrophobicContact CB-CD2 4.41Å
137	P	93.3	Very high	95.5	Very high	99 Å²	99	108.4 Å²	108.4	64%	0.643	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-65.6	164.4	176.7	29.1	-35.2	0	0	0	111.4
138	P	92.8	Very high	95.5	Very high	121 Å²	121	109.6 Å²	109.6	79%	0.786	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.1	144.9	171.7	25.2	-34.7	0	0	0	110.5
139	R	91.5	Very high	95.4	Very high	171 Å²	171	108.8 Å²	108.8	65%	0.645	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-60.8	141	177.3	-66.7	-177.7	-67.9	-174.6	0.9	109.2
140	P	94.8	Very high	95.3	Very high	76 Å²	76	106.8 Å²	106.8	49%	0.494	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-60.8	148.4	176.4	26.4	-35.5	0	0	0	110.7	T142 L143	P140-T142 PolarHBondContact O-N 2.96Å; P140-L143 HydrophobicContact CG-CD1 3.97Å; P140-L143 HydrophobicContact CG-CG 4.09Å; P140-L143 PolarHBondContact O-N 3.18Å
141	R	93.9	Very high	95.3	Very high	159 Å²	159	104.7 Å²	104.7	60%	0.6	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-51.1	-30.5	177.8	-176.2	-173.1	140.3	129.2	-0.3	113.2	L143 E144	R141-L143 PolarHBondContact O-N 3.4Å; R141-L143 VanDerWaalsContact O-N 3.11Å; R141-E144 WeakPolarHBondContact CG-OE1 3.27Å; R141-E144 WeakPolarHBondContact CG-OE2 3.21Å; R141-E144 VanDerWaalsContact O-CB 3.26Å; R141-E144 WeakPolarHBondContact O-CB 3.3Å; R141-E144 WeakPolarHBondContact O-CG 3.4Å; R141-E144 PolarHBondContact O-N 3.39Å
142	T	94.9	Very high	95.2	Very high	64 Å²	64	104.5 Å²	104.5	39%	0.393	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-64	-15.5	178.5	55.6	0	0	0	0	114.1	P140 W147	P140-T142 PolarHBondContact O-N 2.96Å; T142-W147 VanDerWaalsContact CA-CD1 3.42Å; T142-W147 HydrophobicContact CG2-CZ2 4.37Å; T142-W147 VanDerWaalsContact O-CD1 3.22Å
143	L	95.1	Very high	95.3	Very high	82 Å²	82	103.2 Å²	103.2	43%	0.429	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-99.3	9.6	175.1	-61.9	179.5	0	0	0	113.2	P140 R141 K148	P140-L143 HydrophobicContact CG-CD1 3.97Å; P140-L143 HydrophobicContact CG-CG 4.09Å; P140-L143 PolarHBondContact O-N 3.18Å; R141-L143 PolarHBondContact O-N 3.4Å; R141-L143 VanDerWaalsContact O-N 3.11Å; L143-K148 WeakPolarHBondContact O-CE 3.4Å; L143-K148 PolarHBondContact O-NZ 2.97Å
144	E	95.2	Very high	95.4	Very high	103 Å²	103	107 Å²	107	48%	0.481	52%	0.522	S	S	.	.	S	Bend	trans	-69.4	149.5	165.1	-68.1	168.4	-170.9	0	0	110	R141 D146 W147 K148	R141-E144 WeakPolarHBondContact CG-OE1 3.27Å; R141-E144 WeakPolarHBondContact CG-OE2 3.21Å; R141-E144 VanDerWaalsContact O-CB 3.26Å; R141-E144 WeakPolarHBondContact O-CB 3.3Å; R141-E144 WeakPolarHBondContact O-CG 3.4Å; R141-E144 PolarHBondContact O-N 3.39Å; E144-D146 PolarHBondContact O-N 2.83Å; E144-W147 PolarHBondContact O-N 3.3Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 3.37Å
145	D	95.6	Very high	95.4	Very high	120 Å²	120	101.9 Å²	101.9	64%	0.642	50%	0.504	S	S	*	.	H	α-helix	trans	-68.9	-35.6	-169.4	-62.9	-32.5	0	0	0	112.4	K148 A149	D145-K148 PolarHBondContact O-N 3.16Å; D145-K148 IonicContact OD1-NZ 3.34Å; D145-K148 PolarHBondContact OD1-NZ 3.11Å; D145-A149 WeakPolarHBondContact O-CB 3.13Å; D145-A149 PolarHBondContact O-N 3.11Å
146	D	96.1	Very high	95.4	Very high	126 Å²	126	98 Å²	98	67%	0.674	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-42.5	173.5	-63.8	-16.9	0	0	0	111.8	E144 A149 M150	E144-D146 PolarHBondContact O-N 2.83Å; D146-A149 PolarHBondContact O-N 3.16Å; D146-M150 HydrophobicContact CB-CE 4.46Å; D146-M150 WeakPolarHBondContact O-CE 3.15Å; D146-M150 WeakPolarHBondContact O-CG 3.35Å; D146-M150 PolarHBondContact O-N 3.29Å
147	W	96.6	Very high	95.5	Very high	91 Å²	91	96.8 Å²	96.8	35%	0.345	48%	0.483	S	S	.	.	H	α-helix	trans	-66.5	-41.8	177.2	-170.1	-78.8	0	0	0	111.4	T142 E144 A149 M150 Q151	T142-W147 VanDerWaalsContact CA-CD1 3.42Å; T142-W147 HydrophobicContact CG2-CZ2 4.37Å; T142-W147 VanDerWaalsContact O-CD1 3.22Å; E144-W147 PolarHBondContact O-N 3.3Å; W147-A149 VanDerWaalsContact C-N 3.3Å; W147-A149 PolarHBondContact O-N 3.19Å; W147-M150 HydrophobicContact CE3-CE 4.31Å; W147-M150 PolarHBondContact O-N 2.97Å; W147-Q151 WeakPolarHBondContact O-CB 3.2Å; W147-Q151 PolarHBondContact O-N 3.45Å
148	K	96.6	Very high	95.6	Very high	83 Å²	83	97 Å²	97	36%	0.361	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-42.6	173.4	-71.5	175	-165.5	143	0	111.4	L143 E144 D145 Q151 L152	L143-K148 WeakPolarHBondContact O-CE 3.4Å; L143-K148 PolarHBondContact O-NZ 2.97Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 3.37Å; D145-K148 PolarHBondContact O-N 3.16Å; D145-K148 IonicContact OD1-NZ 3.34Å; D145-K148 PolarHBondContact OD1-NZ 3.11Å; K148-Q151 PolarHBondContact O-N 3.32Å; K148-L152 WeakPolarHBondContact O-CB 3.13Å; K148-L152 PolarHBondContact O-N 3.46Å
149	A	95.9	Very high	95.7	Very high	57 Å²	57	97.2 Å²	97.2	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-47	178.8	0	0	0	0	0	111.6	D145 D146 W147 Q151 L152 Q153	D145-A149 WeakPolarHBondContact O-CB 3.13Å; D145-A149 PolarHBondContact O-N 3.11Å; D146-A149 PolarHBondContact O-N 3.16Å; W147-A149 VanDerWaalsContact C-N 3.3Å; W147-A149 PolarHBondContact O-N 3.19Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 2.79Å; A149-L152 PolarHBondContact O-N 3.44Å; A149-Q153 WeakPolarHBondContact O-CB 3.39Å; A149-Q153 PolarHBondContact O-N 2.8Å
150	M	96.7	Very high	96	Very high	115 Å²	115	91.5 Å²	91.5	57%	0.567	44%	0.443	S	S	*	.	H	α-helix	trans	-62	-41.8	175	-72.1	-174.4	-75.7	0	0	112.1	D146 W147 Q153 R154	D146-M150 HydrophobicContact CB-CE 4.46Å; D146-M150 WeakPolarHBondContact O-CE 3.15Å; D146-M150 WeakPolarHBondContact O-CG 3.35Å; D146-M150 PolarHBondContact O-N 3.29Å; W147-M150 HydrophobicContact CE3-CE 4.31Å; W147-M150 PolarHBondContact O-N 2.97Å; M150-Q153 PolarHBondContact O-N 2.93Å; M150-R154 WeakPolarHBondContact O-CB 3.48Å; M150-R154 PolarHBondContact O-N 3.39Å
151	Q	96.8	Very high	96	Very high	91 Å²	91	93 Å²	93	43%	0.425	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-45.2	177	-177.5	171.1	-35.8	0	0	110.7	W147 K148 A149 R154 M155	W147-Q151 WeakPolarHBondContact O-CB 3.2Å; W147-Q151 PolarHBondContact O-N 3.45Å; K148-Q151 PolarHBondContact O-N 3.32Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 2.79Å; Q151-R154 PolarHBondContact O-N 3.43Å; Q151-M155 HydrophobicContact CG-CG 4.45Å; Q151-M155 HydrophobicContact CG-SD 4.27Å; Q151-M155 WeakPolarHBondContact O-CG 3.26Å; Q151-M155 PolarHBondContact O-N 2.93Å
152	L	96.5	Very high	96.1	Very high	60 Å²	60	89.1 Å²	89.1	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-47.1	176.2	176.2	63.1	0	0	0	111.4	K148 A149 R154 M155 L156 L166 W177	K148-L152 WeakPolarHBondContact O-CB 3.13Å; K148-L152 PolarHBondContact O-N 3.46Å; A149-L152 PolarHBondContact O-N 3.44Å; L152-R154 PolarHBondContact O-N 3.3Å; L152-M155 WeakPolarHBondContact O-CB 3.42Å; L152-M155 PolarHBondContact O-N 3.36Å; L152-M155 VanDerWaalsContact O-N 3.13Å; L152-L156 HydrophobicContact CD1-CG 4.49Å; L152-L156 HydrophobicContact CG-CD1 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.94Å; L152-L166 HydrophobicContact CD1-CD1 4.28Å; L152-L166 HydrophobicContact CD1-CD2 4.05Å; L152-W177 HydrophobicContact CD1-CH2 4Å; L152-W177 HydrophobicContact CD1-CZ2 3.97Å; L152-W177 HydrophobicContact CD2-CZ2 3.92Å; L152-W177 HydrophobicContact CG-CZ2 4.38Å
153	Q	95.6	Very high	96	Very high	94 Å²	94	92.1 Å²	92.1	44%	0.439	46%	0.46	S	S	.	.	H	α-helix	trans	-56.9	-50.2	175.5	-175.5	62.5	34.1	0	0	110.8	A149 M150 M155 L156 D157	A149-Q153 WeakPolarHBondContact O-CB 3.39Å; A149-Q153 PolarHBondContact O-N 2.8Å; M150-Q153 PolarHBondContact O-N 2.93Å; Q153-M155 VanDerWaalsContact C-N 3.28Å; Q153-M155 PolarHBondContact O-N 2.91Å; Q153-L156 WeakPolarHBondContact O-CB 3.4Å; Q153-L156 PolarHBondContact O-N 3.38Å; Q153-L156 VanDerWaalsContact O-N 3.08Å; Q153-D157 PolarHBondContact NE2-OD1 3.46Å; Q153-D157 PolarHBondContact O-N 2.94Å
154	R	97.3	Very high	96	Very high	165 Å²	165	96.4 Å²	96.4	62%	0.623	48%	0.478	S	S	*	.	H	α-helix	trans	-57.8	-40.3	176.1	-176.3	-173	169.1	-175	-1.2	112.1	M150 Q151 L152 L156 D157 M158	M150-R154 WeakPolarHBondContact O-CB 3.48Å; M150-R154 PolarHBondContact O-N 3.39Å; Q151-R154 PolarHBondContact O-N 3.43Å; L152-R154 PolarHBondContact O-N 3.3Å; R154-L156 VanDerWaalsContact C-N 3.33Å; R154-D157 PolarHBondContact O-N 3.26Å; R154-M158 HydrophobicContact CG-CE 3.92Å; R154-M158 HydrophobicContact CG-CG 4.47Å; R154-M158 HydrophobicContact CG-SD 4.09Å; R154-M158 WeakPolarHBondContact O-CB 3.46Å; R154-M158 VanDerWaalsContact O-CG 3.26Å; R154-M158 WeakPolarHBondContact O-CG 3.38Å; R154-M158 PolarHBondContact O-N 2.8Å
155	M	96.9	Very high	95.9	Very high	53 Å²	53	92.6 Å²	92.6	26%	0.261	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-37.8	177.6	-69.7	179.6	71.4	0	0	112	Q151 L152 Q153 R159 I160 L166	Q151-M155 HydrophobicContact CG-CG 4.45Å; Q151-M155 HydrophobicContact CG-SD 4.27Å; Q151-M155 WeakPolarHBondContact O-CG 3.26Å; Q151-M155 PolarHBondContact O-N 2.93Å; L152-M155 WeakPolarHBondContact O-CB 3.42Å; L152-M155 PolarHBondContact O-N 3.36Å; L152-M155 VanDerWaalsContact O-N 3.13Å; Q153-M155 VanDerWaalsContact C-N 3.28Å; Q153-M155 PolarHBondContact O-N 2.91Å; M155-R159 PolarHBondContact O-N 2.95Å; M155-I160 HydrophobicContact CB-CB 4.48Å; M155-I160 HydrophobicContact CB-CD1 3.72Å; M155-I160 HydrophobicContact CB-CG1 4.33Å; M155-I160 HydrophobicContact CE-CD1 3.75Å; M155-I160 HydrophobicContact CE-CG2 4.12Å; M155-I160 HydrophobicContact CG-CD1 3.55Å; M155-I160 PolarHBondContact O-N 3.04Å; M155-I160 HydrophobicContact SD-CD1 4.47Å; M155-L166 HydrophobicContact CB-CD2 4.02Å; M155-L166 HydrophobicContact CE-CD2 3.6Å; M155-L166 HydrophobicContact SD-CD2 4.23Å
156	L	96.5	Very high	95.9	Very high	3 Å²	3	89.4 Å²	89.4	2%	0.016	45%	0.449	C	S	.	.	H	α-helix	trans	-70.3	-41.5	175	-67.5	174.1	0	0	0	111.8	L152 Q153 R154 M158 R159 L166 W170 Y172 W177	L152-L156 HydrophobicContact CD1-CG 4.49Å; L152-L156 HydrophobicContact CG-CD1 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.94Å; Q153-L156 WeakPolarHBondContact O-CB 3.4Å; Q153-L156 PolarHBondContact O-N 3.38Å; Q153-L156 VanDerWaalsContact O-N 3.08Å; R154-L156 VanDerWaalsContact C-N 3.33Å; L156-M158 VanDerWaalsContact C-N 3.32Å; L156-M158 PolarHBondContact O-N 3.41Å; L156-R159 PolarHBondContact O-N 3.39Å; L156-L166 HydrophobicContact CD2-CG 4.48Å; L156-W170 HydrophobicContact CD1-CB 4.49Å; L156-W170 HydrophobicContact CD1-CD2 3.65Å; L156-W170 HydrophobicContact CD1-CE3 3.96Å; L156-W170 HydrophobicContact CD1-CG 3.88Å; L156-W170 HydrophobicContact CD1-CZ2 4.37Å; L156-W170 HydrophobicContact CD1-CZ3 4.46Å; L156-W170 HydrophobicContact CD2-CB 3.58Å; L156-W170 HydrophobicContact CD2-CD2 4.39Å; L156-W170 HydrophobicContact CD2-CG 3.81Å; L156-W170 HydrophobicContact CG-CG 4.39Å; L156-Y172 HydrophobicContact CB-CE1 4.44Å; L156-Y172 WeakPolarHBondContact O-CE1 3.18Å; L156-Y172 PolarHBondContact O-OH 3.24Å; L156-W177 HydrophobicContact CD2-CH2 4.34Å
157	D	96.1	Very high	95.9	Very high	100 Å²	100	83.5 Å²	83.5	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.2	-63.7	-22.2	0	0	0	111	Q153 R154 R159	Q153-D157 PolarHBondContact NE2-OD1 3.46Å; Q153-D157 PolarHBondContact O-N 2.94Å; R154-D157 PolarHBondContact O-N 3.26Å; D157-R159 PolarHBondContact O-N 2.95Å
158	M	96.9	Very high	95.9	Very high	102 Å²	102	80 Å²	80	50%	0.502	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	2.4	174.6	-64.3	-175.8	-46.2	0	0	113.6	R154 L156 I160	R154-M158 HydrophobicContact CG-CE 3.92Å; R154-M158 HydrophobicContact CG-CG 4.47Å; R154-M158 HydrophobicContact CG-SD 4.09Å; R154-M158 WeakPolarHBondContact O-CB 3.46Å; R154-M158 VanDerWaalsContact O-CG 3.26Å; R154-M158 WeakPolarHBondContact O-CG 3.38Å; R154-M158 PolarHBondContact O-N 2.8Å; L156-M158 VanDerWaalsContact C-N 3.32Å; L156-M158 PolarHBondContact O-N 3.41Å; M158-I160 VanDerWaalsContact C-N 3.33Å; M158-I160 HydrophobicContact CB-CG1 4.41Å; M158-I160 HydrophobicContact CE-CD1 3.97Å; M158-I160 HydrophobicContact CE-CG1 4.45Å; M158-I160 PolarHBondContact O-N 3.23Å
159	R	94.6	Very high	95.9	Very high	126 Å²	126	82.2 Å²	82.2	48%	0.475	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.2	179	-56.3	-65.2	-176.8	146.4	-4.1	113.4	M155 L156 D157 N161 P162 S167 Y172	M155-R159 PolarHBondContact O-N 2.95Å; L156-R159 PolarHBondContact O-N 3.39Å; D157-R159 PolarHBondContact O-N 2.95Å; R159-N161 PolarHBondContact O-N 3.23Å; R159-P162 HydrophobicContact CB-CB 4.4Å; R159-P162 VanDerWaalsContact O-CD 3.26Å; R159-P162 WeakPolarHBondContact O-CD 3.41Å; R159-S167 WeakPolarHBondContact CA-OG 3.15Å; R159-Y172 VanDerWaalsContact CD-CZ 3.5Å; R159-Y172 VanDerWaalsContact CD-OH 3.27Å; R159-Y172 WeakPolarHBondContact CD-OH 3.49Å; R159-Y172 VanDerWaalsContact CZ-CG 3.48Å; R159-Y172 VanDerWaalsContact CZ-CZ 3.45Å
160	I	96.8	Very high	95.9	Very high	51 Å²	51	81.3 Å²	81.3	26%	0.262	40%	0.402	S	S	.	.			trans	-61.3	126.6	178.5	-68.4	-177.2	0	0	0	111.3	M155 M158 S167	M155-I160 HydrophobicContact CB-CB 4.48Å; M155-I160 HydrophobicContact CB-CD1 3.72Å; M155-I160 HydrophobicContact CB-CG1 4.33Å; M155-I160 HydrophobicContact CE-CD1 3.75Å; M155-I160 HydrophobicContact CE-CG2 4.12Å; M155-I160 HydrophobicContact CG-CD1 3.55Å; M155-I160 PolarHBondContact O-N 3.04Å; M155-I160 HydrophobicContact SD-CD1 4.47Å; M158-I160 VanDerWaalsContact C-N 3.33Å; M158-I160 HydrophobicContact CB-CG1 4.41Å; M158-I160 HydrophobicContact CE-CD1 3.97Å; M158-I160 HydrophobicContact CE-CG1 4.45Å; M158-I160 PolarHBondContact O-N 3.23Å; I160-S167 PolarHBondContact N-OG 3.43Å; I160-S167 WeakPolarHBondContact O-CB 3.47Å; I160-S167 PolarHBondContact O-N 3.11Å; I160-S167 VanDerWaalsContact O-N 3.07Å; I160-S167 PolarHBondContact O-OG 3.3Å
161	N	95.5	Very high	95.9	Very high	108 Å²	108	77 Å²	77	58%	0.578	38%	0.382	S	S	*	.	S	Bend	trans	48.5	66.8	-179.2	-61.4	-26.2	0	0	0	112.9	R159 V163 G165	R159-N161 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact O-N 3Å; N161-G165 CarbonylContact O-C 3.49Å; N161-G165 VanDerWaalsContact O-C 3.31Å; N161-G165 VanDerWaalsContact O-CA 3.28Å; N161-G165 WeakPolarHBondContact O-CA 3.44Å; N161-G165 PolarHBondContact O-N 2.86Å; N161-G165 VanDerWaalsContact O-N 3.13Å
162	P	94.9	Very high	95.8	Very high	77 Å²	77	75.8 Å²	75.8	50%	0.5	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-12.6	-167.5	32.6	-33	0	0	0	115	R159 A168	R159-P162 HydrophobicContact CB-CB 4.4Å; R159-P162 VanDerWaalsContact O-CD 3.26Å; R159-P162 WeakPolarHBondContact O-CD 3.41Å; P162-A168 WeakPolarHBondContact O-CA 3.5Å; P162-A168 VanDerWaalsContact O-CB 3.29Å; P162-A168 WeakPolarHBondContact O-CB 3.42Å
163	V	93.4	Very high	95.8	Very high	127 Å²	127	80.7 Å²	80.7	77%	0.77	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-53.1	-177.8	-171.4	0	0	0	0	111.7	N161 A168	N161-V163 PolarHBondContact O-N 3Å; V163-A168 VanDerWaalsContact O-CB 3.3Å; V163-A168 WeakPolarHBondContact O-CB 3.17Å
164	E	95.1	Very high	95.7	Very high	173 Å²	173	83.2 Å²	83.2	81%	0.808	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-13.5	-174.9	-63.3	178.3	175.3	0	0	113.6
165	G	93.9	Very high	95.6	Very high	22 Å²	22	77.6 Å²	77.6	23%	0.227	40%	0.403	C	S	.	.	S	Bend	trans	-98.4	-143.5	-168.3	0	0	0	0	0	114.2	N161 A168	N161-G165 CarbonylContact O-C 3.49Å; N161-G165 VanDerWaalsContact O-C 3.31Å; N161-G165 VanDerWaalsContact O-CA 3.28Å; N161-G165 WeakPolarHBondContact O-CA 3.44Å; N161-G165 PolarHBondContact O-N 2.86Å; N161-G165 VanDerWaalsContact O-N 3.13Å; G165-A168 WeakPolarHBondContact O-CB 3.37Å; G165-A168 PolarHBondContact O-N 3.18Å
166	L	95.6	Very high	95.5	Very high	53 Å²	53	80 Å²	80	28%	0.277	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-55.8	-171.3	-174.4	69.7	0	0	0	112.5	L152 M155 L156 A168 K169 W177	L152-L166 HydrophobicContact CD1-CD1 4.28Å; L152-L166 HydrophobicContact CD1-CD2 4.05Å; M155-L166 HydrophobicContact CB-CD2 4.02Å; M155-L166 HydrophobicContact CE-CD2 3.6Å; M155-L166 HydrophobicContact SD-CD2 4.23Å; L156-L166 HydrophobicContact CD2-CG 4.48Å; L166-A168 VanDerWaalsContact C-N 3.28Å; L166-A168 PolarHBondContact O-N 2.94Å; L166-K169 PolarHBondContact O-N 3.34Å; L166-W177 HydrophobicContact CD1-CH2 3.65Å; L166-W177 HydrophobicContact CD1-CZ3 4.13Å; L166-W177 HydrophobicContact CG-CH2 4.28Å
167	S	95.9	Very high	95.5	Very high	3 Å²	3	85.5 Å²	85.5	2%	0.021	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-69.4	-26.4	-176.7	-62.2	0	0	0	0	112.7	R159 I160 K169 W170 Y172	R159-S167 WeakPolarHBondContact CA-OG 3.15Å; I160-S167 PolarHBondContact N-OG 3.43Å; I160-S167 WeakPolarHBondContact O-CB 3.47Å; I160-S167 PolarHBondContact O-N 3.11Å; I160-S167 VanDerWaalsContact O-N 3.07Å; I160-S167 PolarHBondContact O-OG 3.3Å; S167-K169 PolarHBondContact O-N 2.94Å; S167-W170 PolarHBondContact O-N 2.96Å; S167-Y172 WeakPolarHBondContact CB-OH 3.4Å; S167-Y172 WeakPolarHBondContact O-CE2 2.97Å; S167-Y172 PolarHBondContact OG-OH 3.32Å
168	A	96.3	Very high	95.3	Very high	18 Å²	18	89.6 Å²	89.6	15%	0.149	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.9	174.5	0	0	0	0	0	112.2	P162 V163 G165 L166 K178	P162-A168 WeakPolarHBondContact O-CA 3.5Å; P162-A168 VanDerWaalsContact O-CB 3.29Å; P162-A168 WeakPolarHBondContact O-CB 3.42Å; V163-A168 VanDerWaalsContact O-CB 3.3Å; V163-A168 WeakPolarHBondContact O-CB 3.17Å; G165-A168 WeakPolarHBondContact O-CB 3.37Å; G165-A168 PolarHBondContact O-N 3.18Å; L166-A168 VanDerWaalsContact C-N 3.28Å; L166-A168 PolarHBondContact O-N 2.94Å; A168-K178 WeakPolarHBondContact O-CD 3.41Å; A168-K178 WeakPolarHBondContact O-CE 3.38Å; A168-K178 PolarHBondContact O-NZ 3.46Å
169	K	96.7	Very high	95.3	Very high	129 Å²	129	89 Å²	89	56%	0.561	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-89	-0.1	-177.8	-62	175.4	-176.7	-177.4	0	113.9	L166 S167 W177 K178	L166-K169 PolarHBondContact O-N 3.34Å; S167-K169 PolarHBondContact O-N 2.94Å; K169-W177 HydrophobicContact CB-CE3 4.21Å; K169-W177 HydrophobicContact CB-CZ3 4.26Å; K169-K178 WeakPolarHBondContact O-CB 3.39Å; K169-K178 PolarHBondContact O-N 3.01Å
170	W	96.9	Very high	95.3	Very high	37 Å²	37	87.1 Å²	87.1	14%	0.14	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.9	177.1	-177.4	-102.1	0	0	0	110.8	L156 S167 Y172 G175 Q176 W177 K178	L156-W170 HydrophobicContact CD1-CB 4.49Å; L156-W170 HydrophobicContact CD1-CD2 3.65Å; L156-W170 HydrophobicContact CD1-CE3 3.96Å; L156-W170 HydrophobicContact CD1-CG 3.88Å; L156-W170 HydrophobicContact CD1-CZ2 4.37Å; L156-W170 HydrophobicContact CD1-CZ3 4.46Å; L156-W170 HydrophobicContact CD2-CB 3.58Å; L156-W170 HydrophobicContact CD2-CD2 4.39Å; L156-W170 HydrophobicContact CD2-CG 3.81Å; L156-W170 HydrophobicContact CG-CG 4.39Å; S167-W170 PolarHBondContact O-N 2.96Å; W170-Y172 HydrophobicContact CB-CE2 4.04Å; W170-Y172 AromaticContact CD1-CD1 3.63Å; W170-Y172 AromaticContact CD1-CD2 3.68Å; W170-Y172 AromaticContact CD1-CE1 3.62Å; W170-Y172 AromaticContact CD1-CE2 3.66Å; W170-Y172 AromaticContact CD1-CG 3.68Å; W170-Y172 AromaticContact CD1-CZ 3.64Å; W170-Y172 HydrophobicContact CG-CE2 4.28Å; W170-Y172 VanDerWaalsContact O-CD2 3.29Å; W170-Y172 WeakPolarHBondContact O-CD2 3.38Å; W170-Y172 PolarHBondContact O-N 3.37Å; W170-G175 WeakPolarHBondContact CH2-O 3.43Å; W170-G175 WeakPolarHBondContact CZ2-O 3.45Å; W170-Q176 VanDerWaalsContact CH2-CA 3.47Å; W170-W177 HydrophobicContact CB-CE3 4.38Å; W170-W177 HydrophobicContact CB-CZ3 4.26Å; W170-W177 HydrophobicContact CE3-CB 4.46Å; W170-W177 AromaticContact CE3-CD2 3.59Å; W170-W177 HydrophobicContact CE3-CD2 3.59Å; W170-W177 AromaticContact CE3-CE2 3.8Å; W170-W177 AromaticContact CE3-CE3 3.89Å; W170-W177 HydrophobicContact CE3-CE3 3.89Å; W170-W177 AromaticContact CE3-CG 3.87Å; W170-W177 HydrophobicContact CE3-CG 3.87Å; W170-W177 HydrophobicContact CE3-CH2 4.48Å; W170-W177 HydrophobicContact CE3-CZ2 4.28Å; W170-W177 HydrophobicContact CE3-CZ3 4.31Å; W170-W177 AromaticContact CZ3-CD1 3.79Å; W170-W177 AromaticContact CZ3-CD2 3.99Å; W170-W177 HydrophobicContact CZ3-CD2 3.99Å; W170-W177 AromaticContact CZ3-CE2 3.91Å; W170-W177 AromaticContact CZ3-CG 3.92Å; W170-W177 HydrophobicContact CZ3-CG 3.92Å; W170-W177 VanDerWaalsContact CZ3-N 3.32Å; W170-W177 AromaticContact CZ3-NE1 3.79Å; W170-K178 VanDerWaalsContact O-CE 3.24Å; W170-K178 WeakPolarHBondContact O-CE 3.49Å
171	D	96.3	Very high	95.2	Very high	25 Å²	25	89.1 Å²	89.1	13%	0.134	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	103.8	173.5	-169.2	-24	0	0	0	108.1	D173 K174 G175 Q176 K178	D171-D173 VanDerWaalsContact C-N 3.29Å; D171-D173 PolarHBondContact O-N 3.43Å; D171-D173 WeakPolarHBondContact OD1-CB 3.26Å; D171-D173 PolarHBondContact OD1-N 3.43Å; D171-K174 HydrophobicContact CB-CB 4.36Å; D171-K174 PolarHBondContact OD1-N 3.28Å; D171-K174 WeakPolarHBondContact OD2-CD 3.37Å; D171-K174 IonicContact OD2-NZ 2.8Å; D171-G175 WeakPolarHBondContact O-CA 3.33Å; D171-G175 PolarHBondContact O-N 3.47Å; D171-Q176 WeakPolarHBondContact CA-O 3.46Å; D171-Q176 HydrophobicContact CB-CG 4.44Å; D171-Q176 WeakPolarHBondContact CB-O 3.43Å; D171-Q176 PolarHBondContact N-O 3.2Å; D171-Q176 PolarHBondContact O-N 3.14Å; D171-K178 HydrophobicContact CB-CG 3.77Å
172	Y	94.8	Very high	95.2	Very high	66 Å²	66	87.9 Å²	87.9	26%	0.259	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.4	-178.4	-70.6	-93.1	0	0	0	112.9	L156 R159 S167 W170	L156-Y172 HydrophobicContact CB-CE1 4.44Å; L156-Y172 WeakPolarHBondContact O-CE1 3.18Å; L156-Y172 PolarHBondContact O-OH 3.24Å; R159-Y172 VanDerWaalsContact CD-CZ 3.5Å; R159-Y172 VanDerWaalsContact CD-OH 3.27Å; R159-Y172 WeakPolarHBondContact CD-OH 3.49Å; R159-Y172 VanDerWaalsContact CZ-CG 3.48Å; R159-Y172 VanDerWaalsContact CZ-CZ 3.45Å; S167-Y172 WeakPolarHBondContact CB-OH 3.4Å; S167-Y172 WeakPolarHBondContact O-CE2 2.97Å; S167-Y172 PolarHBondContact OG-OH 3.32Å; W170-Y172 HydrophobicContact CB-CE2 4.04Å; W170-Y172 AromaticContact CD1-CD1 3.63Å; W170-Y172 AromaticContact CD1-CD2 3.68Å; W170-Y172 AromaticContact CD1-CE1 3.62Å; W170-Y172 AromaticContact CD1-CE2 3.66Å; W170-Y172 AromaticContact CD1-CG 3.68Å; W170-Y172 AromaticContact CD1-CZ 3.64Å; W170-Y172 HydrophobicContact CG-CE2 4.28Å; W170-Y172 VanDerWaalsContact O-CD2 3.29Å; W170-Y172 WeakPolarHBondContact O-CD2 3.38Å; W170-Y172 PolarHBondContact O-N 3.37Å
173	D	95.3	Very high	95.2	Very high	162 Å²	162	88.6 Å²	88.6	87%	0.866	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-35.6	179	-60.9	-27.2	0	0	0	110.2	D171	D171-D173 VanDerWaalsContact C-N 3.29Å; D171-D173 PolarHBondContact O-N 3.43Å; D171-D173 WeakPolarHBondContact OD1-CB 3.26Å; D171-D173 PolarHBondContact OD1-N 3.43Å
174	K	95.1	Very high	95.3	Very high	147 Å²	147	86.1 Å²	86.1	64%	0.639	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-11.1	-178.9	-62.5	-179.2	-168.4	160.8	0	114.4	D171 Q176	D171-K174 HydrophobicContact CB-CB 4.36Å; D171-K174 PolarHBondContact OD1-N 3.28Å; D171-K174 WeakPolarHBondContact OD2-CD 3.37Å; D171-K174 IonicContact OD2-NZ 2.8Å; K174-Q176 VanDerWaalsContact C-N 3.34Å; K174-Q176 HydrophobicContact CB-CG 3.81Å; K174-Q176 PolarHBondContact O-N 3.36Å
175	G	93.4	Very high	95.3	Very high	47 Å²	47	79.9 Å²	79.9	49%	0.485	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	37.8	-177.7	0	0	0	0	0	113.2	W170 D171	W170-G175 WeakPolarHBondContact CH2-O 3.43Å; W170-G175 WeakPolarHBondContact CZ2-O 3.45Å; D171-G175 WeakPolarHBondContact O-CA 3.33Å; D171-G175 PolarHBondContact O-N 3.47Å
176	Q	95.3	Very high	95.5	Very high	103 Å²	103	84.3 Å²	84.3	48%	0.481	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	166.2	-179.9	64.2	179.3	31.7	0	0	111.4	W170 D171 K174	W170-Q176 VanDerWaalsContact CH2-CA 3.47Å; D171-Q176 WeakPolarHBondContact CA-O 3.46Å; D171-Q176 HydrophobicContact CB-CG 4.44Å; D171-Q176 WeakPolarHBondContact CB-O 3.43Å; D171-Q176 PolarHBondContact N-O 3.2Å; D171-Q176 PolarHBondContact O-N 3.14Å; K174-Q176 VanDerWaalsContact C-N 3.34Å; K174-Q176 HydrophobicContact CB-CG 3.81Å; K174-Q176 PolarHBondContact O-N 3.36Å
177	W	96.3	Very high	95.4	Very high	119 Å²	119	86.9 Å²	86.9	45%	0.451	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.8	170.1	-66	104.6	0	0	0	110	L152 L156 L166 K169 W170	L152-W177 HydrophobicContact CD1-CH2 4Å; L152-W177 HydrophobicContact CD1-CZ2 3.97Å; L152-W177 HydrophobicContact CD2-CZ2 3.92Å; L152-W177 HydrophobicContact CG-CZ2 4.38Å; L156-W177 HydrophobicContact CD2-CH2 4.34Å; L166-W177 HydrophobicContact CD1-CH2 3.65Å; L166-W177 HydrophobicContact CD1-CZ3 4.13Å; L166-W177 HydrophobicContact CG-CH2 4.28Å; K169-W177 HydrophobicContact CB-CE3 4.21Å; K169-W177 HydrophobicContact CB-CZ3 4.26Å; W170-W177 HydrophobicContact CB-CE3 4.38Å; W170-W177 HydrophobicContact CB-CZ3 4.26Å; W170-W177 HydrophobicContact CE3-CB 4.46Å; W170-W177 AromaticContact CE3-CD2 3.59Å; W170-W177 HydrophobicContact CE3-CD2 3.59Å; W170-W177 AromaticContact CE3-CE2 3.8Å; W170-W177 AromaticContact CE3-CE3 3.89Å; W170-W177 HydrophobicContact CE3-CE3 3.89Å; W170-W177 AromaticContact CE3-CG 3.87Å; W170-W177 HydrophobicContact CE3-CG 3.87Å; W170-W177 HydrophobicContact CE3-CH2 4.48Å; W170-W177 HydrophobicContact CE3-CZ2 4.28Å; W170-W177 HydrophobicContact CE3-CZ3 4.31Å; W170-W177 AromaticContact CZ3-CD1 3.79Å; W170-W177 AromaticContact CZ3-CD2 3.99Å; W170-W177 HydrophobicContact CZ3-CD2 3.99Å; W170-W177 AromaticContact CZ3-CE2 3.91Å; W170-W177 AromaticContact CZ3-CG 3.92Å; W170-W177 HydrophobicContact CZ3-CG 3.92Å; W170-W177 VanDerWaalsContact CZ3-N 3.32Å; W170-W177 AromaticContact CZ3-NE1 3.79Å
178	K	93.3	Very high	95.4	Very high	187 Å²	187	94.5 Å²	94.5	81%	0.813	45%	0.452	S	S	*	.			trans	-65.1	0	175.7	-72.6	-179.4	-176.4	167.2	0	111.9	A168 K169 W170 D171	A168-K178 WeakPolarHBondContact O-CD 3.41Å; A168-K178 WeakPolarHBondContact O-CE 3.38Å; A168-K178 PolarHBondContact O-NZ 3.46Å; K169-K178 WeakPolarHBondContact O-CB 3.39Å; K169-K178 PolarHBondContact O-N 3.01Å; W170-K178 VanDerWaalsContact O-CE 3.24Å; W170-K178 WeakPolarHBondContact O-CE 3.49Å; D171-K178 HydrophobicContact CB-CG 3.77Å

Retrieved 178 of 178 residues in 70 ms (Link to these results)

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