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Succinate dehydrogenase assembly factor 2, mitochondrial

Plays an essential role in the assembly of succinate dehydrogenase (SDH), an enzyme complex (also referred to as respiratory complex II) that is a component of both the tricarboxylic acid (TCA) cycle and the mitochondrial electron transport chain, and which couples the oxidation of succinate to fumarate with the reduction of ubiquinone (coenzyme Q) to ubiquinol. Required for flavinylation (covalent attachment of FAD) of the flavoprotein subunit SDHA of the SDH catalytic dimer.

AlphaFold DB , UniProt , Accession A0A087XF05, Species POEFO (Poecilia formosa, Amazon molly), Gene SDHAF2, Length 163 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	48.6	Very low	44.3	Very low	239 Å²	239	160.5 Å²	160.5	100%	1.177	87%	0.866	S	S	*	*				0	119.8	0	-71	-153.8	172.3	0	0	108.1
2	L	39.1	Very low	44.4	Very low	184 Å²	184	157.6 Å²	157.6	96%	0.963	86%	0.858	S	S	*	*			trans	175.1	96.1	152	-93.6	155.5	0	0	0	106.6
3	S	33.5	Very low	44.4	Very low	112 Å²	112	150.5 Å²	150.5	78%	0.783	84%	0.844	S	S	*	*			trans	-77.6	128.1	179.1	178	0	0	0	0	109.5
4	S	40.8	Very low	44.7	Very low	105 Å²	105	152.6 Å²	152.6	73%	0.734	85%	0.847	S	S	*	*			trans	-99.4	117.9	170.9	173.9	0	0	0	0	109.1
5	L	45.7	Very low	45	Very low	169 Å²	169	150.9 Å²	150.9	89%	0.885	85%	0.848	S	S	*	*			trans	-86.4	113.8	173	-80.8	157.2	0	0	0	108.8
6	V	48.9	Very low	45.5	Very low	119 Å²	119	153 Å²	153	72%	0.721	85%	0.849	S	S	*	*			trans	-104.2	112.6	168	175.6	0	0	0	0	108.8
7	A	47.4	Very low	45.9	Very low	97 Å²	97	148.7 Å²	148.7	80%	0.802	84%	0.838	S	S	*	*			trans	-68.7	125	172.7	0	0	0	0	0	110.6
8	K	45.5	Very low	46.3	Very low	198 Å²	198	147.8 Å²	147.8	86%	0.861	84%	0.836	S	S	*	*			trans	-99.1	109.8	168.3	-69.6	-176.8	179.3	-177.9	0	108.7	L10	K8-L10 PolarHBondContact O-N 2.99Å
9	R	43.6	Very low	46.5	Very low	241 Å²	241	152.8 Å²	152.8	91%	0.909	84%	0.84	S	S	*	*			trans	-66.5	123.1	169.5	-84.2	179.4	166.3	-169.7	-4	109.4
10	L	45.8	Very low	46.7	Very low	165 Å²	165	156.5 Å²	156.5	86%	0.864	84%	0.841	S	S	*	*			trans	-74.2	118.1	167	-104.4	145.7	0	0	0	108.9	K8	K8-L10 PolarHBondContact O-N 2.99Å
11	V	48.7	Very low	47.1	Very low	136 Å²	136	155 Å²	155	82%	0.824	84%	0.84	S	S	*	*			trans	-91	115.2	169.1	-178.5	0	0	0	0	107.2
12	T	44.8	Very low	47.6	Very low	126 Å²	126	148 Å²	148	77%	0.773	82%	0.819	S	S	*	*			trans	-86.7	110.8	176.5	-46.6	0	0	0	0	107.6
13	G	44.9	Very low	48.3	Very low	65 Å²	65	148.5 Å²	148.5	67%	0.67	81%	0.814	S	S	*	*			trans	-77.7	119	176.1	0	0	0	0	0	111	C15	G13-C15 PolarHBondContact O-N 3.38Å
14	M	48.8	Very low	49.6	Very low	180 Å²	180	149.8 Å²	149.8	89%	0.887	82%	0.818	S	S	*	*			trans	-75.5	113.6	172.1	-64.3	176.6	70.5	0	0	109.4	Q16	M14-Q16 PolarHBondContact O-N 2.81Å
15	C	49.4	Very low	50.3	Low	128 Å²	128	146.3 Å²	146.3	87%	0.865	80%	0.798	S	S	*	*			trans	-77.8	106.7	170	-67.8	0	0	0	0	108.9	G13 A17	G13-C15 PolarHBondContact O-N 3.38Å; C15-A17 PolarHBondContact O-N 2.92Å
16	Q	52.2	Low	51.1	Low	184 Å²	184	145.1 Å²	145.1	86%	0.86	80%	0.799	S	S	*	*			trans	-75.6	104.3	168.4	-73.1	-172	-25	0	0	108.8	M14 V18	M14-Q16 PolarHBondContact O-N 2.81Å; Q16-V18 PolarHBondContact O-N 3.2Å
17	A	52.3	Low	51.6	Low	80 Å²	80	145.8 Å²	145.8	66%	0.661	80%	0.802	S	S	*	*			trans	-69.5	117	169.5	0	0	0	0	0	109	C15 W19	C15-A17 PolarHBondContact O-N 2.92Å; A17-W19 PolarHBondContact O-N 3.46Å
18	V	54.1	Low	52.2	Low	133 Å²	133	146.2 Å²	146.2	81%	0.806	80%	0.8	S	S	*	*			trans	-71	111.4	171.4	176.3	0	0	0	0	107.8	Q16 R20	Q16-V18 PolarHBondContact O-N 3.2Å; V18-R20 PolarHBondContact O-N 2.81Å; V18-R20 VanDerWaalsContact O-N 3.17Å
19	W	49.5	Very low	53	Low	243 Å²	243	142 Å²	142	92%	0.92	80%	0.795	S	S	*	*			trans	-69.4	108.2	173.7	-72.6	66.2	0	0	0	108.7	A17	A17-W19 PolarHBondContact O-N 3.46Å
20	R	50.8	Low	53.8	Low	225 Å²	225	142 Å²	142	85%	0.849	80%	0.795	S	S	*	*			trans	-78.4	131.6	164.2	-74.8	-175.4	-177.2	-93	0.9	108.2	V18 A22	V18-R20 PolarHBondContact O-N 2.81Å; V18-R20 VanDerWaalsContact O-N 3.17Å; R20-A22 PolarHBondContact O-N 2.98Å
21	P	54.1	Low	54.6	Low	126 Å²	126	137 Å²	137	82%	0.818	78%	0.783	S	S	*	*			trans	-65.9	132.3	172.4	26.3	-30	0	0	0	109.2	F23	P21-F23 PolarHBondContact O-N 3.46Å; P21-F23 VanDerWaalsContact O-N 3.13Å
22	A	60.8	Low	55.6	Low	91 Å²	91	139.6 Å²	139.6	75%	0.752	78%	0.78	S	S	*	*			trans	-71.9	103.2	172.7	0	0	0	0	0	108.7	R20 T24	R20-A22 PolarHBondContact O-N 2.98Å; A22-T24 PolarHBondContact O-N 3.15Å; A22-T24 VanDerWaalsContact O-N 3.14Å
23	F	52.1	Low	56.7	Low	195 Å²	195	141.2 Å²	141.2	86%	0.855	78%	0.776	S	S	*	*			trans	-72.6	100.7	166.1	-174.1	-101.7	0	0	0	107.7	P21 G25	P21-F23 PolarHBondContact O-N 3.46Å; P21-F23 VanDerWaalsContact O-N 3.13Å; F23-G25 VanDerWaalsContact CE1-CA 3.49Å; F23-G25 PolarHBondContact O-N 3.28Å
24	T	61.4	Low	57.6	Low	139 Å²	139	140.5 Å²	140.5	85%	0.853	77%	0.769	S	S	*	*			trans	-76.4	66.8	168.4	51.5	0	0	0	0	109.2	A22	A22-T24 PolarHBondContact O-N 3.15Å; A22-T24 VanDerWaalsContact O-N 3.14Å
25	G	56.6	Low	58.5	Low	32 Å²	32	138.9 Å²	138.9	33%	0.33	76%	0.759	S	S	.	*			trans	-82.1	127.9	164.4	0	0	0	0	0	108.9	F23 V27	F23-G25 VanDerWaalsContact CE1-CA 3.49Å; F23-G25 PolarHBondContact O-N 3.28Å; G25-V27 PolarHBondContact O-N 3.33Å
26	T	61.3	Low	59.4	Low	145 Å²	145	135.2 Å²	135.2	89%	0.89	74%	0.738	S	S	*	*			trans	-60.1	102.8	164.5	46.2	0	0	0	0	108	S28	T26-S28 PolarHBondContact O-N 2.9Å; T26-S28 VanDerWaalsContact O-N 3.1Å
27	V	59.5	Low	60.1	Low	132 Å²	132	131.9 Å²	131.9	80%	0.8	73%	0.732	S	S	*	*			trans	-65.9	110.7	165.5	177.5	0	0	0	0	105.4	G25 S29	G25-V27 PolarHBondContact O-N 3.33Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.06Å
28	S	59.5	Low	60.7	Low	107 Å²	107	134.7 Å²	134.7	75%	0.748	74%	0.736	S	S	*	*			trans	-60.4	99.3	166.7	175.1	0	0	0	0	106.8	T26 R30	T26-S28 PolarHBondContact O-N 2.9Å; T26-S28 VanDerWaalsContact O-N 3.1Å; S28-R30 PolarHBondContact O-N 2.93Å
29	S	61.9	Low	61.2	Low	108 Å²	108	136 Å²	136	76%	0.755	74%	0.739	S	S	*	*			trans	-63.1	94.5	164.3	43.9	0	0	0	0	106.2	V27 G31	V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.06Å; S29-G31 PolarHBondContact O-N 3.5Å
30	R	61.6	Low	61.7	Low	242 Å²	242	130.4 Å²	130.4	91%	0.913	73%	0.727	S	S	*	*			trans	-71.3	76	168.1	-158	175.5	-171.3	-169.7	1.1	106.3	S28 Y32	S28-R30 PolarHBondContact O-N 2.93Å; R30-Y32 PolarHBondContact O-N 2.91Å
31	G	62.5	Low	62.5	Low	60 Å²	60	127.6 Å²	127.6	62%	0.619	72%	0.721	S	S	*	*			trans	-65.6	119.2	173.1	0	0	0	0	0	107.7	S29 K33	S29-G31 PolarHBondContact O-N 3.5Å; G31-K33 PolarHBondContact O-N 3.17Å; G31-K33 VanDerWaalsContact O-N 3.07Å
32	Y	69.5	Low	62.9	Low	191 Å²	191	126 Å²	126	75%	0.749	72%	0.718	S	S	*	*			trans	-62.7	110.3	164.5	178.9	-102.4	0	0	0	107	R30 G34 A36	R30-Y32 PolarHBondContact O-N 2.91Å; Y32-G34 PolarHBondContact O-N 3.27Å; Y32-A36 WeakPolarHBondContact OH-CB 3.32Å
33	K	66.9	Low	63	Low	159 Å²	159	129 Å²	129	69%	0.691	72%	0.721	S	S	*	*			trans	-83.1	3.5	-171.3	-136	-142.7	176.9	-161.3	0	113.2	G31 E35	G31-K33 PolarHBondContact O-N 3.17Å; G31-K33 VanDerWaalsContact O-N 3.07Å; K33-E35 HydrophobicContact CD-CG 4.47Å; K33-E35 WeakPolarHBondContact CD-OE1 3.4Å; K33-E35 IonicContact NZ-OE1 2.79Å; K33-E35 PolarHBondContact NZ-OE1 3.08Å; K33-E35 IonicContact NZ-OE2 3.97Å; K33-E35 PolarHBondContact O-N 2.93Å; K33-E35 VanDerWaalsContact O-N 3.08Å
34	G	65.4	Low	63.8	Low	51 Å²	51	125.3 Å²	125.3	53%	0.526	71%	0.71	S	S	.	*	S	Bend	trans	70.2	-4.2	-178.4	0	0	0	0	0	115.1	Y32 A36	Y32-G34 PolarHBondContact O-N 3.27Å; G34-A36 PolarHBondContact O-N 3.26Å; G34-A36 VanDerWaalsContact O-N 3.09Å
35	E	66.2	Low	64.4	Low	146 Å²	146	126.4 Å²	126.4	68%	0.682	71%	0.71	S	S	*	*			trans	-86	52.7	177.3	-64	175.1	-161.7	0	0	110.3	K33	K33-E35 HydrophobicContact CD-CG 4.47Å; K33-E35 WeakPolarHBondContact CD-OE1 3.4Å; K33-E35 IonicContact NZ-OE1 2.79Å; K33-E35 PolarHBondContact NZ-OE1 3.08Å; K33-E35 IonicContact NZ-OE2 3.97Å; K33-E35 PolarHBondContact O-N 2.93Å; K33-E35 VanDerWaalsContact O-N 3.08Å
36	A	68.9	Low	65.1	Low	51 Å²	51	133.7 Å²	133.7	42%	0.421	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-70.4	131.2	161.5	0	0	0	0	0	107	Y32 G34	Y32-A36 WeakPolarHBondContact OH-CB 3.32Å; G34-A36 PolarHBondContact O-N 3.26Å; G34-A36 VanDerWaalsContact O-N 3.09Å
37	P	68.3	Low	66.2	Low	113 Å²	113	133.7 Å²	133.7	73%	0.734	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-54.4	144.2	170.8	22.9	-30.1	0	0	0	108.8	D39	P37-D39 PolarHBondContact O-N 3.49Å
38	D	64.1	Low	67.5	Low	140 Å²	140	133.1 Å²	133.1	75%	0.749	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-47.3	132.9	172.4	-79	-33.5	0	0	0	108.3	N40	D38-N40 PolarHBondContact O-N 2.69Å
39	D	64.1	Low	68.9	Low	161 Å²	161	133.5 Å²	133.5	86%	0.861	72%	0.72	S	S	*	*			trans	-66.3	58.6	176	-70.3	-32.8	0	0	0	109.8	P37 K41	P37-D39 PolarHBondContact O-N 3.49Å; D39-K41 VanDerWaalsContact C-N 3.27Å; D39-K41 PolarHBondContact O-N 3.41Å
40	N	61.3	Low	70.3	Confident	124 Å²	124	133.8 Å²	133.8	66%	0.663	72%	0.719	S	S	*	*			trans	-60.3	102	160.2	-71.1	-33.2	0	0	0	103.6	D38 A42	D38-N40 PolarHBondContact O-N 2.69Å; N40-A42 PolarHBondContact O-N 2.94Å
41	K	66.1	Low	71.7	Confident	167 Å²	167	127.4 Å²	127.4	73%	0.726	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-49.4	6.7	-179.9	-67.4	-177.1	179	179.2	0	115.7	D39 D43 L44	D39-K41 VanDerWaalsContact C-N 3.27Å; D39-K41 PolarHBondContact O-N 3.41Å; K41-D43 PolarHBondContact O-N 3.38Å; K41-L44 HydrophobicContact CB-CD1 3.74Å; K41-L44 HydrophobicContact CB-CG 4.24Å; K41-L44 HydrophobicContact CD-CD1 4.06Å; K41-L44 HydrophobicContact CG-CD1 3.74Å; K41-L44 WeakPolarHBondContact O-CB 3.43Å; K41-L44 PolarHBondContact O-N 2.86Å; K41-L44 VanDerWaalsContact O-N 3.07Å
42	A	63.4	Low	73.2	Confident	91 Å²	91	128 Å²	128	75%	0.752	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-54.4	-30.6	174	0	0	0	0	0	113.9	N40	N40-A42 PolarHBondContact O-N 2.94Å
43	D	62.5	Low	74.3	Confident	155 Å²	155	126.4 Å²	126.4	83%	0.829	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-89.6	0.8	177.9	-67.6	-18.3	0	0	0	113.4	K41 L45	K41-D43 PolarHBondContact O-N 3.38Å; D43-L45 PolarHBondContact O-N 3.02Å; D43-L45 VanDerWaalsContact O-N 3.08Å
44	L	69.3	Low	75.4	Confident	117 Å²	117	123.3 Å²	123.3	61%	0.613	68%	0.68	S	S	*	*			trans	-74.9	99.6	173.4	-65.8	179.7	0	0	0	109.5	K41 E46	K41-L44 HydrophobicContact CB-CD1 3.74Å; K41-L44 HydrophobicContact CB-CG 4.24Å; K41-L44 HydrophobicContact CD-CD1 4.06Å; K41-L44 HydrophobicContact CG-CD1 3.74Å; K41-L44 WeakPolarHBondContact O-CB 3.43Å; K41-L44 PolarHBondContact O-N 2.86Å; K41-L44 VanDerWaalsContact O-N 3.07Å; L44-E46 PolarHBondContact O-N 3.36Å; L44-E46 VanDerWaalsContact O-N 3.15Å
45	L	74.4	Confident	76.6	Confident	163 Å²	163	125.9 Å²	125.9	85%	0.853	68%	0.677	S	S	*	*			trans	-68.8	105.2	163.4	-68.8	168.1	0	0	0	108.5	D43 I47	D43-L45 PolarHBondContact O-N 3.02Å; D43-L45 VanDerWaalsContact O-N 3.08Å; L45-I47 PolarHBondContact O-N 3.35Å; L45-I47 VanDerWaalsContact O-N 3.13Å
46	E	70.6	Confident	77.6	Confident	185 Å²	185	123.6 Å²	123.6	86%	0.864	67%	0.673	S	S	*	*			trans	-71	103.5	172.1	-70.9	-177.5	-178	0	0	109.5	L44 P48	L44-E46 PolarHBondContact O-N 3.36Å; L44-E46 VanDerWaalsContact O-N 3.15Å; E46-P48 WeakPolarHBondContact O-CD 3.41Å
47	I	84.9	Confident	78.6	Confident	144 Å²	144	128.7 Å²	128.7	74%	0.738	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-78.7	117.4	171.6	-59.3	172.6	0	0	0	107.1	L45 L49	L45-I47 PolarHBondContact O-N 3.35Å; L45-I47 VanDerWaalsContact O-N 3.13Å; I47-L49 PolarHBondContact O-N 2.86Å
48	P	86.1	Confident	79.7	Confident	120 Å²	120	124.9 Å²	124.9	78%	0.779	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-67.7	122.9	-178.2	27.2	-33.3	0	0	0	110	E46	E46-P48 WeakPolarHBondContact O-CD 3.41Å
49	L	88	Confident	81.1	Confident	115 Å²	115	121.9 Å²	121.9	60%	0.602	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-77.6	153.2	170.8	-67.8	173.8	0	0	0	110	I47 S110	I47-L49 PolarHBondContact O-N 2.86Å; L49-S110 WeakPolarHBondContact CD1-OG 3.38Å
50	P	92	Very high	82.5	Confident	114 Å²	114	117.7 Å²	117.7	74%	0.74	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-58.5	138.5	173.7	25.9	-34.1	0	0	0	109.7
51	P	91.6	Very high	84	Confident	108 Å²	108	116.6 Å²	116.6	70%	0.701	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-62.4	142.8	176.5	27.7	-34	0	0	0	109.7
52	W	92.6	Very high	85.4	Confident	74 Å²	74	112.1 Å²	112.1	28%	0.28	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-67.5	135.4	172.7	176.4	90.7	0	0	0	109.9	E54 D103 R104 E108	W52-E54 HydrophobicContact CH2-CB 3.51Å; W52-E54 HydrophobicContact CH2-CG 3.79Å; W52-E54 HydrophobicContact CZ2-CB 4.39Å; W52-E54 HydrophobicContact CZ3-CB 3.64Å; W52-E54 HydrophobicContact CZ3-CG 4.34Å; W52-D103 HydrophobicContact CZ2-CB 4.45Å; W52-R104 HydrophobicContact CH2-CB 4.18Å; W52-R104 HydrophobicContact CH2-CG 4.5Å; W52-R104 HydrophobicContact CZ2-CB 4.43Å; W52-R104 HydrophobicContact CZ3-CG 4.41Å; W52-E108 HydrophobicContact CB-CB 4.21Å; W52-E108 HydrophobicContact CB-CG 4.05Å; W52-E108 HydrophobicContact CD2-CB 4.42Å; W52-E108 HydrophobicContact CG-CB 4.11Å; W52-E108 HydrophobicContact CG-CG 4.41Å
53	E	92.8	Very high	86.9	Confident	157 Å²	157	108 Å²	108	73%	0.734	57%	0.573	S	S	*	*			trans	-113.8	128.1	179.8	-67.1	-179.2	179.2	0	0	110.2
54	E	90.8	Very high	88.5	Confident	94 Å²	94	103.2 Å²	103.2	44%	0.439	54%	0.543	S	S	.	.			trans	-74.1	133.6	176.7	-172.6	170.7	-173.7	0	0	111.3	W52 T56 Q100	W52-E54 HydrophobicContact CH2-CB 3.51Å; W52-E54 HydrophobicContact CH2-CG 3.79Å; W52-E54 HydrophobicContact CZ2-CB 4.39Å; W52-E54 HydrophobicContact CZ3-CB 3.64Å; W52-E54 HydrophobicContact CZ3-CG 4.34Å; E54-T56 HydrophobicContact CG-CG2 4.44Å; E54-T56 PolarHBondContact O-N 3.49Å; E54-Q100 WeakPolarHBondContact OE1-CG 3.46Å
55	K	90.6	Very high	89.8	Confident	104 Å²	104	105.2 Å²	105.2	45%	0.452	54%	0.543	S	S	.	.			trans	-93.4	99.1	176.6	-66.4	177.2	-176.7	168	0	110.6	E58	K55-E58 HydrophobicContact CB-CG 4.43Å
56	T	87.4	Confident	90.8	Very high	98 Å²	98	99.1 Å²	99.1	60%	0.601	51%	0.508	S	S	*	.			trans	-84.9	-25.9	-178.9	53.3	0	0	0	0	114.2	E54	E54-T56 HydrophobicContact CG-CG2 4.44Å; E54-T56 PolarHBondContact O-N 3.49Å
57	D	88.9	Confident	92.1	Very high	158 Å²	158	90.3 Å²	90.3	85%	0.845	47%	0.467	S	S	*	.	S	Bend	trans	-95.3	5.4	-163.1	-56.3	-19.1	0	0	0	114.2
58	E	91.8	Very high	92.7	Very high	34 Å²	34	84 Å²	84	16%	0.159	44%	0.435	C	S	.	.	S	Bend	trans	-92.1	139.6	-179.4	60.5	177.6	-179.5	0	0	112.7	K55 I62 K63 R66	K55-E58 HydrophobicContact CB-CG 4.43Å; E58-I62 HydrophobicContact CB-CG2 4.35Å; E58-K63 HydrophobicContact CG-CB 3.96Å; E58-K63 WeakPolarHBondContact OE1-CA 3.41Å; E58-K63 WeakPolarHBondContact OE1-CB 3.23Å; E58-K63 VanDerWaalsContact OE1-CG 3.27Å; E58-K63 WeakPolarHBondContact OE1-CG 3.26Å; E58-R66 IonicContact OE1-CZ 2.71Å; E58-R66 IonicContact OE1-NE 2.9Å; E58-R66 PolarHBondContact OE1-NE 2.93Å; E58-R66 VanDerWaalsContact OE1-NE 3.09Å; E58-R66 IonicContact OE1-NH2 2.62Å; E58-R66 PolarHBondContact OE1-NH2 3.16Å; E58-R66 IonicContact OE2-NE 3.46Å; E58-R66 PolarHBondContact OE2-NE 2.97Å
59	P	94.6	Very high	93.2	Very high	76 Å²	76	85.5 Å²	85.5	49%	0.494	43%	0.426	S	S	.	.			trans	-66.1	150.4	173	29	-34.4	0	0	0	110.4	D61 I62 K63	P59-D61 PolarHBondContact O-N 2.87Å; P59-D61 VanDerWaalsContact O-N 3.11Å; P59-I62 HydrophobicContact CG-CB 3.88Å; P59-I62 HydrophobicContact CG-CD1 3.48Å; P59-I62 VanDerWaalsContact CG-CD1 3.48Å; P59-I62 HydrophobicContact CG-CG1 3.65Å; P59-I62 WeakPolarHBondContact O-CA 3.36Å; P59-I62 PolarHBondContact O-N 2.89Å; P59-K63 PolarHBondContact O-N 3.42Å
60	I	93.4	Very high	93.7	Very high	73 Å²	73	81.8 Å²	81.8	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-53.8	-39.3	-173.1	-59.8	174	0	0	0	111.9	I62 K63 R64 L99	I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.22Å; I60-K63 WeakPolarHBondContact O-CB 3.34Å; I60-K63 PolarHBondContact O-N 3.11Å; I60-R64 HydrophobicContact CG2-CG 4.46Å; I60-R64 VanDerWaalsContact CG2-CZ 3.46Å; I60-R64 WeakPolarHBondContact O-CB 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.4Å; I60-R64 PolarHBondContact O-N 3.41Å; I60-L99 HydrophobicContact CG2-CD1 3.8Å
61	D	92.9	Very high	93.9	Very high	101 Å²	101	76.3 Å²	76.3	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-29.5	-179.8	-59.1	-29.6	0	0	0	113.3	P59 R64 R65	P59-D61 PolarHBondContact O-N 2.87Å; P59-D61 VanDerWaalsContact O-N 3.11Å; D61-R64 IonicContact OD1-NH1 2.98Å; D61-R65 WeakPolarHBondContact O-CG 3.45Å; D61-R65 PolarHBondContact O-N 3Å; D61-R65 PolarHBondContact O-NE 3.2Å
62	I	94.8	Very high	94.2	Very high	73 Å²	73	74 Å²	74	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-74.1	-45.4	172.7	-69.5	-179.6	0	0	0	109.3	E58 P59 I60 R64 R65 R66	E58-I62 HydrophobicContact CB-CG2 4.35Å; P59-I62 HydrophobicContact CG-CB 3.88Å; P59-I62 HydrophobicContact CG-CD1 3.48Å; P59-I62 VanDerWaalsContact CG-CD1 3.48Å; P59-I62 HydrophobicContact CG-CG1 3.65Å; P59-I62 WeakPolarHBondContact O-CA 3.36Å; P59-I62 PolarHBondContact O-N 2.89Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.22Å; I62-R64 VanDerWaalsContact C-N 3.31Å; I62-R64 PolarHBondContact O-N 3.32Å; I62-R65 PolarHBondContact O-N 3.33Å; I62-R65 VanDerWaalsContact O-N 3.16Å; I62-R66 WeakPolarHBondContact O-CB 3.42Å; I62-R66 PolarHBondContact O-N 3.11Å
63	K	95.5	Very high	94.4	Very high	5 Å²	5	77.2 Å²	77.2	2%	0.022	36%	0.364	C	S	.	.	H	α-helix	trans	-53.2	-48.8	174.9	-175.1	174.5	-65.5	178.8	0	111.1	E58 P59 I60 R65 R66 L67 D96 L99	E58-K63 HydrophobicContact CG-CB 3.96Å; E58-K63 WeakPolarHBondContact OE1-CA 3.41Å; E58-K63 WeakPolarHBondContact OE1-CB 3.23Å; E58-K63 VanDerWaalsContact OE1-CG 3.27Å; E58-K63 WeakPolarHBondContact OE1-CG 3.26Å; P59-K63 PolarHBondContact O-N 3.42Å; I60-K63 WeakPolarHBondContact O-CB 3.34Å; I60-K63 PolarHBondContact O-N 3.11Å; K63-R65 PolarHBondContact O-N 2.91Å; K63-R66 PolarHBondContact O-N 2.91Å; K63-L67 HydrophobicContact CG-CD1 3.81Å; K63-L67 HydrophobicContact CG-CG 4.38Å; K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 VanDerWaalsContact O-CG 3.26Å; K63-L67 WeakPolarHBondContact O-CG 3.45Å; K63-L67 PolarHBondContact O-N 3.08Å; K63-D96 IonicContact NZ-OD1 2.87Å; K63-D96 PolarHBondContact NZ-OD1 2.87Å; K63-L99 HydrophobicContact CD-CB 3.9Å; K63-L99 HydrophobicContact CD-CD1 4.37Å
64	R	95.9	Very high	94.5	Very high	54 Å²	54	71.6 Å²	71.6	20%	0.204	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-49.3	176.3	-78.7	-175.9	-177.8	128.3	1.4	112.7	I60 D61 I62 R66 L67 L68 L91 M94 L99	I60-R64 HydrophobicContact CG2-CG 4.46Å; I60-R64 VanDerWaalsContact CG2-CZ 3.46Å; I60-R64 WeakPolarHBondContact O-CB 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.4Å; I60-R64 PolarHBondContact O-N 3.41Å; D61-R64 IonicContact OD1-NH1 2.98Å; I62-R64 VanDerWaalsContact C-N 3.31Å; I62-R64 PolarHBondContact O-N 3.32Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.98Å; R64-L67 PolarHBondContact O-N 2.62Å; R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 PolarHBondContact O-N 3.44Å; R64-L91 HydrophobicContact CB-CD2 3.47Å; R64-L91 VanDerWaalsContact CB-CD2 3.47Å; R64-L91 WeakPolarHBondContact CD-O 3.4Å; R64-L91 HydrophobicContact CG-CD2 3.66Å; R64-L91 HydrophobicContact CG-CG 4.44Å; R64-L91 PolarHBondContact NE-O 2.87Å; R64-L91 VanDerWaalsContact NE-O 3.08Å; R64-L91 WeakPolarHBondContact O-CD2 3.46Å; R64-M94 PolarHBondContact NH2-O 3.26Å; R64-L99 HydrophobicContact CG-CD1 3.86Å; R64-L99 HydrophobicContact CG-CD2 4.18Å
65	R	95.4	Very high	94.7	Very high	160 Å²	160	70.7 Å²	70.7	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-62.7	-40.3	178.9	-77.6	178.3	-76.1	147.7	-14.9	112.4	D61 I62 K63 Y69	D61-R65 WeakPolarHBondContact O-CG 3.45Å; D61-R65 PolarHBondContact O-N 3Å; D61-R65 PolarHBondContact O-NE 3.2Å; I62-R65 PolarHBondContact O-N 3.33Å; I62-R65 VanDerWaalsContact O-N 3.16Å; K63-R65 PolarHBondContact O-N 2.91Å; R65-Y69 PolarHBondContact O-N 3.44Å; R65-Y69 VanDerWaalsContact O-N 3.09Å
66	R	96.8	Very high	94.9	Very high	34 Å²	34	66.6 Å²	66.6	13%	0.128	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-52.8	175	178.7	178.3	67.4	83.7	-4.3	111.1	E58 I62 K63 R64 L68 Y69 E70 D103	E58-R66 IonicContact OE1-CZ 2.71Å; E58-R66 IonicContact OE1-NE 2.9Å; E58-R66 PolarHBondContact OE1-NE 2.93Å; E58-R66 VanDerWaalsContact OE1-NE 3.09Å; E58-R66 IonicContact OE1-NH2 2.62Å; E58-R66 PolarHBondContact OE1-NH2 3.16Å; E58-R66 IonicContact OE2-NE 3.46Å; E58-R66 PolarHBondContact OE2-NE 2.97Å; I62-R66 WeakPolarHBondContact O-CB 3.42Å; I62-R66 PolarHBondContact O-N 3.11Å; K63-R66 PolarHBondContact O-N 2.91Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.98Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.41Å; R66-Y69 WeakPolarHBondContact O-CA 3.38Å; R66-Y69 WeakPolarHBondContact O-CB 3.49Å; R66-Y69 PolarHBondContact O-N 2.94Å; R66-E70 WeakPolarHBondContact CD-OE1 3.03Å; R66-E70 HydrophobicContact CG-CG 4.44Å; R66-E70 WeakPolarHBondContact CG-OE1 3.04Å; R66-E70 IonicContact CZ-OE1 3.58Å; R66-E70 IonicContact CZ-OE2 3.55Å; R66-E70 IonicContact NH1-OE1 3.65Å; R66-E70 PolarHBondContact NH1-OE1 3.03Å; R66-E70 IonicContact NH1-OE2 3.44Å; R66-E70 PolarHBondContact NH1-OE2 3.02Å; R66-E70 WeakPolarHBondContact O-CG 3.37Å; R66-E70 PolarHBondContact O-N 3.28Å; R66-D103 IonicContact CZ-OD1 3.09Å; R66-D103 IonicContact CZ-OD2 3.96Å; R66-D103 IonicContact NH1-OD1 3.3Å; R66-D103 PolarHBondContact NH1-OD1 3.45Å; R66-D103 IonicContact NH1-OD2 3.37Å; R66-D103 VanDerWaalsContact NH2-CG 3.31Å; R66-D103 IonicContact NH2-OD1 3.93Å; R66-D103 PolarHBondContact NH2-OD1 3.28Å; R66-D103 IonicContact NH2-OD2 3.02Å; R66-D103 PolarHBondContact NH2-OD2 2.93Å
67	L	97.4	Very high	95.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-36.6	179.9	-70.3	173.7	0	0	0	112.2	K63 R64 E70 S71 L91 L99 Y102 D103 I106	K63-L67 HydrophobicContact CG-CD1 3.81Å; K63-L67 HydrophobicContact CG-CG 4.38Å; K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 VanDerWaalsContact O-CG 3.26Å; K63-L67 WeakPolarHBondContact O-CG 3.45Å; K63-L67 PolarHBondContact O-N 3.08Å; R64-L67 PolarHBondContact O-N 2.62Å; L67-E70 PolarHBondContact O-N 2.97Å; L67-S71 VanDerWaalsContact O-CB 3.27Å; L67-S71 WeakPolarHBondContact O-CB 3.24Å; L67-S71 PolarHBondContact O-N 2.86Å; L67-S71 PolarHBondContact O-OG 3.27Å; L67-L91 HydrophobicContact CB-CD1 3.87Å; L67-L99 HydrophobicContact CD1-CB 4.16Å; L67-L99 HydrophobicContact CD1-CD2 3.97Å; L67-Y102 HydrophobicContact CB-CD1 4.35Å; L67-Y102 HydrophobicContact CB-CE1 4.39Å; L67-Y102 HydrophobicContact CD1-CD1 4.24Å; L67-Y102 HydrophobicContact CD2-CD1 4.38Å; L67-D103 HydrophobicContact CD1-CB 4.42Å; L67-D103 HydrophobicContact CD2-CB 3.61Å; L67-D103 WeakPolarHBondContact CD2-OD1 3.48Å; L67-I106 HydrophobicContact CD2-CD1 3.99Å
68	L	97.4	Very high	95.7	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-43.9	173.1	177.4	63.4	0	0	0	111.7	R64 R66 S71 R72 A87 L91 L155 Y157 L158	R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 PolarHBondContact O-N 3.44Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.41Å; L68-S71 PolarHBondContact O-N 3.41Å; L68-R72 HydrophobicContact CD1-CG 4.41Å; L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.06Å; L68-R72 PolarHBondContact O-N 3.23Å; L68-A87 HydrophobicContact CD1-CB 3.87Å; L68-L91 HydrophobicContact CB-CD1 4.34Å; L68-L155 HydrophobicContact CD2-CD2 4.22Å; L68-Y157 WeakPolarHBondContact CD1-OH 3.3Å; L68-L158 HydrophobicContact CD2-CD1 3.62Å; L68-L158 HydrophobicContact CD2-CD2 4.27Å; L68-L158 HydrophobicContact CD2-CG 4.49Å
69	Y	97.3	Very high	95.9	Very high	151 Å²	151	62.7 Å²	62.7	59%	0.592	31%	0.307	S	S	*	.	H	α-helix	trans	-61.7	-50.3	176.6	175.8	-92.3	0	0	0	111.2	R65 R66 S71 R72 K73	R65-Y69 PolarHBondContact O-N 3.44Å; R65-Y69 VanDerWaalsContact O-N 3.09Å; R66-Y69 WeakPolarHBondContact O-CA 3.38Å; R66-Y69 WeakPolarHBondContact O-CB 3.49Å; R66-Y69 PolarHBondContact O-N 2.94Å; Y69-S71 VanDerWaalsContact C-N 3.29Å; Y69-S71 PolarHBondContact O-N 3.04Å; Y69-R72 PolarHBondContact O-N 3.48Å; Y69-K73 HydrophobicContact CD1-CG 4.41Å; Y69-K73 HydrophobicContact CD2-CG 4.23Å; Y69-K73 HydrophobicContact CE1-CB 4.42Å; Y69-K73 HydrophobicContact CE1-CG 4.04Å; Y69-K73 HydrophobicContact CE2-CG 3.87Å; Y69-K73 HydrophobicContact CG-CG 4.5Å; Y69-K73 WeakPolarHBondContact O-CG 3.14Å; Y69-K73 PolarHBondContact O-N 3.46Å; Y69-K73 VanDerWaalsContact O-N 3.11Å
70	E	97.1	Very high	96	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-35.9	179.4	-69.6	165.6	177.5	0	0	111.6	R66 L67 R72 K73 R74 I106 N107	R66-E70 WeakPolarHBondContact CD-OE1 3.03Å; R66-E70 HydrophobicContact CG-CG 4.44Å; R66-E70 WeakPolarHBondContact CG-OE1 3.04Å; R66-E70 IonicContact CZ-OE1 3.58Å; R66-E70 IonicContact CZ-OE2 3.55Å; R66-E70 IonicContact NH1-OE1 3.65Å; R66-E70 PolarHBondContact NH1-OE1 3.03Å; R66-E70 IonicContact NH1-OE2 3.44Å; R66-E70 PolarHBondContact NH1-OE2 3.02Å; R66-E70 WeakPolarHBondContact O-CG 3.37Å; R66-E70 PolarHBondContact O-N 3.28Å; L67-E70 PolarHBondContact O-N 2.97Å; E70-R72 VanDerWaalsContact C-N 3.29Å; E70-R72 PolarHBondContact O-N 3.44Å; E70-K73 PolarHBondContact O-N 3.28Å; E70-R74 VanDerWaalsContact O-CZ 3.3Å; E70-R74 PolarHBondContact O-NE 3.39Å; E70-R74 PolarHBondContact O-NH2 2.71Å; E70-R74 VanDerWaalsContact O-NH2 3.1Å; E70-I106 HydrophobicContact CB-CD1 4.39Å; E70-N107 PolarHBondContact OE2-ND2 2.75Å
71	S	97.4	Very high	96.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-33.6	174.6	-59.5	0	0	0	0	112.7	L67 L68 Y69 R74 Y102	L67-S71 VanDerWaalsContact O-CB 3.27Å; L67-S71 WeakPolarHBondContact O-CB 3.24Å; L67-S71 PolarHBondContact O-N 2.86Å; L67-S71 PolarHBondContact O-OG 3.27Å; L68-S71 PolarHBondContact O-N 3.41Å; Y69-S71 VanDerWaalsContact C-N 3.29Å; Y69-S71 PolarHBondContact O-N 3.04Å; S71-R74 WeakPolarHBondContact O-CG 3.43Å; S71-Y102 WeakPolarHBondContact OG-CE1 3.24Å; S71-Y102 PolarHBondContact OG-OH 3.14Å
72	R	97.2	Very high	96.4	Very high	60 Å²	60	53.6 Å²	53.6	23%	0.226	26%	0.256	C	S	.	.	H	α-helix	trans	-87.6	-17.1	-177.3	-67.8	177.3	76.2	104.4	4.8	113.8	L68 Y69 E70 P153 L155	L68-R72 HydrophobicContact CD1-CG 4.41Å; L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.06Å; L68-R72 PolarHBondContact O-N 3.23Å; Y69-R72 PolarHBondContact O-N 3.48Å; E70-R72 VanDerWaalsContact C-N 3.29Å; E70-R72 PolarHBondContact O-N 3.44Å; R72-P153 VanDerWaalsContact CZ-O 3.3Å; R72-P153 PolarHBondContact NH1-O 3.13Å; R72-P153 PolarHBondContact NH2-O 3.43Å; R72-L155 VanDerWaalsContact NH1-CD2 3.35Å
73	K	96.1	Very high	96.5	Very high	141 Å²	141	50.1 Å²	50.1	61%	0.613	24%	0.238	S	C	*	.	S	Bend	trans	-112.2	68.3	-173.8	-64.5	-60.5	-175.3	-178.6	0	110.9	Y69 E70	Y69-K73 HydrophobicContact CD1-CG 4.41Å; Y69-K73 HydrophobicContact CD2-CG 4.23Å; Y69-K73 HydrophobicContact CE1-CB 4.42Å; Y69-K73 HydrophobicContact CE1-CG 4.04Å; Y69-K73 HydrophobicContact CE2-CG 3.87Å; Y69-K73 HydrophobicContact CG-CG 4.5Å; Y69-K73 WeakPolarHBondContact O-CG 3.14Å; Y69-K73 PolarHBondContact O-N 3.46Å; Y69-K73 VanDerWaalsContact O-N 3.11Å; E70-K73 PolarHBondContact O-N 3.28Å
74	R	96.4	Very high	96.6	Very high	39 Å²	39	49.9 Å²	49.9	15%	0.147	24%	0.237	C	C	.	.			trans	-102.2	161.8	-179.1	-57.1	-77.9	156.2	-176	-7.1	111.8	E70 S71 M76 N79 C80 L83 I106 N107 D112	E70-R74 VanDerWaalsContact O-CZ 3.3Å; E70-R74 PolarHBondContact O-NE 3.39Å; E70-R74 PolarHBondContact O-NH2 2.71Å; E70-R74 VanDerWaalsContact O-NH2 3.1Å; S71-R74 WeakPolarHBondContact O-CG 3.43Å; R74-M76 VanDerWaalsContact C-N 3.3Å; R74-M76 PolarHBondContact O-N 3.46Å; R74-N79 HydrophobicContact CB-CB 4.09Å; R74-N79 HydrophobicContact CG-CB 4.06Å; R74-C80 VanDerWaalsContact CB-SG 3.57Å; R74-C80 PolarHBondContact N-SG 3.03Å; R74-L83 HydrophobicContact CG-CD1 4.2Å; R74-I106 PolarHBondContact NH1-O 2.68Å; R74-I106 VanDerWaalsContact NH2-CB 3.26Å; R74-I106 VanDerWaalsContact NH2-CG1 3.27Å; R74-I106 PolarHBondContact NH2-O 3.26Å; R74-N107 PolarHBondContact NH2-OD1 2.77Å; R74-D112 VanDerWaalsContact CD-OD1 3.25Å; R74-D112 WeakPolarHBondContact CD-OD1 3.47Å; R74-D112 IonicContact NH1-OD1 3.58Å
75	G	93.6	Very high	96.7	Very high	74 Å²	74	48.9 Å²	48.9	76%	0.763	24%	0.236	S	C	*	.	S	Bend	trans	-71.9	-21.8	177.2	0	0	0	0	0	114.1	D112	G75-D112 PolarHBondContact N-OD2 2.86Å
76	M	95.6	Very high	96.8	Very high	19 Å²	19	41.3 Å²	41.3	9%	0.094	21%	0.208	C	C	.	.	S	Bend	trans	-122.7	150.3	-179.6	67.9	174.2	57.8	0	0	112.6	R74 E78 N79 C80 D112 W113	R74-M76 VanDerWaalsContact C-N 3.3Å; R74-M76 PolarHBondContact O-N 3.46Å; M76-E78 HydrophobicContact SD-CB 4.18Å; M76-N79 HydrophobicContact CG-CB 3.65Å; M76-N79 HydrophobicContact SD-CB 4.05Å; M76-C80 PolarHBondContact O-N 2.9Å; M76-C80 VanDerWaalsContact O-N 3.12Å; M76-C80 PolarHBondContact O-SG 2.74Å; M76-D112 HydrophobicContact CE-CB 3.64Å; M76-D112 HydrophobicContact CG-CB 4.21Å; M76-D112 HydrophobicContact SD-CB 4.29Å; M76-W113 HydrophobicContact CE-CB 4.13Å; M76-W113 HydrophobicContact CE-CD2 3.26Å; M76-W113 HydrophobicContact CE-CE3 3.73Å; M76-W113 HydrophobicContact CE-CG 3.44Å; M76-W113 VanDerWaalsContact CE-CG 3.44Å; M76-W113 HydrophobicContact CE-CH2 4.31Å; M76-W113 HydrophobicContact CE-CZ2 3.93Å; M76-W113 HydrophobicContact CE-CZ3 4.22Å; M76-W113 HydrophobicContact SD-CD2 4.4Å; M76-W113 HydrophobicContact SD-CE3 4.31Å; M76-W113 HydrophobicContact SD-CZ3 4.44Å
77	L	96.3	Very high	96.8	Very high	121 Å²	121	39.8 Å²	39.8	63%	0.634	20%	0.202	S	C	*	.	H	α-helix	trans	-70.7	-34.9	-177.3	-177.5	61.1	0	0	0	111.7	C80 I81	L77-C80 WeakPolarHBondContact O-CB 3.2Å; L77-C80 PolarHBondContact O-N 2.74Å; L77-I81 HydrophobicContact CD1-CD1 3.9Å; L77-I81 HydrophobicContact CD1-CG1 4.07Å; L77-I81 HydrophobicContact CD2-CD1 4.35Å; L77-I81 HydrophobicContact CG-CD1 3.76Å; L77-I81 HydrophobicContact CG-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.02Å
78	E	95.9	Very high	96.7	Very high	86 Å²	86	43.9 Å²	43.9	40%	0.402	22%	0.22	S	C	.	.	H	α-helix	trans	-56.7	-53.8	179.4	-65.3	81.2	174.7	0	0	110.7	M76 I81 L82 Y116	M76-E78 HydrophobicContact SD-CB 4.18Å; E78-I81 PolarHBondContact O-N 3.3Å; E78-L82 VanDerWaalsContact O-CB 3.23Å; E78-L82 WeakPolarHBondContact O-CB 3.38Å; E78-L82 PolarHBondContact O-N 3.23Å; E78-Y116 HydrophobicContact CB-CD2 4.07Å; E78-Y116 HydrophobicContact CB-CE2 3.88Å; E78-Y116 HydrophobicContact CG-CE2 4.46Å
79	N	96.8	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-37.4	175.2	-75.1	-3.9	0	0	0	112.2	R74 M76 I81 L82 L83 D112 Y116	R74-N79 HydrophobicContact CB-CB 4.09Å; R74-N79 HydrophobicContact CG-CB 4.06Å; M76-N79 HydrophobicContact CG-CB 3.65Å; M76-N79 HydrophobicContact SD-CB 4.05Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.09Å; N79-L82 PolarHBondContact O-N 3.5Å; N79-L83 HydrophobicContact CB-CD1 4.23Å; N79-L83 VanDerWaalsContact O-CB 3.24Å; N79-L83 WeakPolarHBondContact O-CB 3.47Å; N79-L83 WeakPolarHBondContact O-CG 3.44Å; N79-L83 PolarHBondContact O-N 3.22Å; N79-D112 PolarHBondContact ND2-O 3.37Å; N79-D112 PolarHBondContact ND2-OD1 3.46Å; N79-Y116 WeakPolarHBondContact OD1-CB 3.24Å
80	C	96.9	Very high	96.5	Very high	22 Å²	22	44 Å²	44	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-48.2	176.1	-76	0	0	0	0	111.1	R74 M76 L77 S84	R74-C80 VanDerWaalsContact CB-SG 3.57Å; R74-C80 PolarHBondContact N-SG 3.03Å; M76-C80 PolarHBondContact O-N 2.9Å; M76-C80 VanDerWaalsContact O-N 3.12Å; M76-C80 PolarHBondContact O-SG 2.74Å; L77-C80 WeakPolarHBondContact O-CB 3.2Å; L77-C80 PolarHBondContact O-N 2.74Å; C80-S84 WeakPolarHBondContact O-CB 3.45Å; C80-S84 PolarHBondContact O-N 2.87Å; C80-S84 VanDerWaalsContact O-N 3.15Å; C80-S84 PolarHBondContact O-OG 2.97Å
81	I	97.1	Very high	96.4	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	21%	0.212	C	C	.	.	H	α-helix	trans	-70.9	-48.8	-179.4	-63.9	165.2	0	0	0	110.1	L77 E78 N79 S84 L85 R149 L150	L77-I81 HydrophobicContact CD1-CD1 3.9Å; L77-I81 HydrophobicContact CD1-CG1 4.07Å; L77-I81 HydrophobicContact CD2-CD1 4.35Å; L77-I81 HydrophobicContact CG-CD1 3.76Å; L77-I81 HydrophobicContact CG-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.02Å; E78-I81 PolarHBondContact O-N 3.3Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.09Å; I81-S84 PolarHBondContact O-OG 2.83Å; I81-S84 VanDerWaalsContact O-OG 3.08Å; I81-L85 HydrophobicContact CG2-CD1 3.78Å; I81-L85 WeakPolarHBondContact O-CB 3.27Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.3Å; I81-L85 VanDerWaalsContact O-N 3.13Å; I81-R149 HydrophobicContact CG2-CB 4.15Å; I81-L150 WeakPolarHBondContact CD1-O 3.33Å
82	L	97.3	Very high	96.1	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-53.4	-176.5	-177.1	64.8	0	0	0	112	E78 N79 L85 F86 Y116 A119 L137 F140	E78-L82 VanDerWaalsContact O-CB 3.23Å; E78-L82 WeakPolarHBondContact O-CB 3.38Å; E78-L82 PolarHBondContact O-N 3.23Å; N79-L82 PolarHBondContact O-N 3.5Å; L82-L85 PolarHBondContact O-N 2.91Å; L82-F86 WeakPolarHBondContact O-CB 2.93Å; L82-F86 PolarHBondContact O-N 3.35Å; L82-Y116 HydrophobicContact CD2-CD2 4.46Å; L82-A119 HydrophobicContact CD2-CB 4.22Å; L82-L137 HydrophobicContact CG-CD1 4.49Å; L82-F140 HydrophobicContact CD1-CD1 3.9Å; L82-F140 HydrophobicContact CD1-CE1 4Å
83	L	97.9	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.6	-32.9	-176.6	-61.7	178.5	0	0	0	112.2	R74 N79 F86 A87 I106 L137	R74-L83 HydrophobicContact CG-CD1 4.2Å; N79-L83 HydrophobicContact CB-CD1 4.23Å; N79-L83 VanDerWaalsContact O-CB 3.24Å; N79-L83 WeakPolarHBondContact O-CB 3.47Å; N79-L83 WeakPolarHBondContact O-CG 3.44Å; N79-L83 PolarHBondContact O-N 3.22Å; L83-F86 PolarHBondContact O-N 3.39Å; L83-A87 WeakPolarHBondContact O-CB 3.18Å; L83-A87 PolarHBondContact O-N 3.36Å; L83-I106 HydrophobicContact CD1-CG2 4.37Å; L83-L137 HydrophobicContact CD2-CD1 4.09Å; L83-L137 HydrophobicContact CD2-CD2 4.41Å
84	S	97.3	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-37	176.5	66	0	0	0	0	112.9	C80 I81 K88 A152 P153	C80-S84 WeakPolarHBondContact O-CB 3.45Å; C80-S84 PolarHBondContact O-N 2.87Å; C80-S84 VanDerWaalsContact O-N 3.15Å; C80-S84 PolarHBondContact O-OG 2.97Å; I81-S84 PolarHBondContact O-OG 2.83Å; I81-S84 VanDerWaalsContact O-OG 3.08Å; S84-K88 WeakPolarHBondContact O-CB 3.39Å; S84-K88 PolarHBondContact O-N 3.46Å; S84-K88 VanDerWaalsContact O-N 3.08Å; S84-A152 WeakPolarHBondContact OG-CB 3.43Å; S84-P153 WeakPolarHBondContact OG-CD 3.41Å
85	L	97.1	Very high	95.9	Very high	34 Å²	34	42.4 Å²	42.4	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-72.7	-39.7	174.1	-68	169.7	0	0	0	111.6	I81 L82 K88 R89 F140 R149 P153	I81-L85 HydrophobicContact CG2-CD1 3.78Å; I81-L85 WeakPolarHBondContact O-CB 3.27Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 3.3Å; I81-L85 VanDerWaalsContact O-N 3.13Å; L82-L85 PolarHBondContact O-N 2.91Å; L85-K88 PolarHBondContact O-N 2.88Å; L85-R89 PolarHBondContact O-N 3.44Å; L85-F140 HydrophobicContact CB-CE1 4.1Å; L85-F140 HydrophobicContact CB-CZ 3.75Å; L85-R149 HydrophobicContact CD1-CB 3.83Å; L85-R149 HydrophobicContact CD1-CG 3.66Å; L85-P153 HydrophobicContact CD2-CB 4.24Å; L85-P153 HydrophobicContact CD2-CG 4Å
86	F	97.4	Very high	95.9	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-50.1	173.7	179.6	-95.2	0	0	0	111.1	L82 L83 K88 R89 Y90 M94 Y102 V133 M136 L137 F140	L82-F86 WeakPolarHBondContact O-CB 2.93Å; L82-F86 PolarHBondContact O-N 3.35Å; L83-F86 PolarHBondContact O-N 3.39Å; F86-K88 VanDerWaalsContact C-N 3.35Å; F86-K88 PolarHBondContact O-N 3.16Å; F86-R89 PolarHBondContact O-N 3.2Å; F86-R89 VanDerWaalsContact O-N 3.08Å; F86-Y90 HydrophobicContact CD1-CD2 4.49Å; F86-Y90 AromaticContact CD2-CD2 3.44Å; F86-Y90 HydrophobicContact CD2-CD2 3.44Å; F86-Y90 VanDerWaalsContact CD2-CD2 3.44Å; F86-Y90 AromaticContact CD2-CE2 3.67Å; F86-Y90 HydrophobicContact CD2-CE2 3.67Å; F86-Y90 HydrophobicContact CE1-CD2 4.43Å; F86-Y90 AromaticContact CE2-CD2 3.37Å; F86-Y90 HydrophobicContact CE2-CD2 3.37Å; F86-Y90 AromaticContact CE2-CE2 3.66Å; F86-Y90 HydrophobicContact CE2-CE2 3.66Å; F86-Y90 HydrophobicContact CE2-CG 4.28Å; F86-Y90 HydrophobicContact CG-CD2 4.03Å; F86-Y90 AromaticContact CZ-CD2 3.91Å; F86-Y90 HydrophobicContact CZ-CD2 3.91Å; F86-Y90 HydrophobicContact CZ-CG 4.45Å; F86-Y90 WeakPolarHBondContact O-CD2 3.39Å; F86-Y90 PolarHBondContact O-N 3.43Å; F86-M94 HydrophobicContact CE1-CE 3.58Å; F86-M94 HydrophobicContact CZ-CE 3.61Å; F86-Y102 HydrophobicContact CD1-CD2 4.42Å; F86-Y102 AromaticContact CD1-CE2 3.65Å; F86-Y102 HydrophobicContact CD1-CE2 3.65Å; F86-Y102 AromaticContact CD1-CZ 3.98Å; F86-Y102 AromaticContact CE1-CD2 3.82Å; F86-Y102 HydrophobicContact CE1-CD2 3.82Å; F86-Y102 AromaticContact CE1-CE2 3.5Å; F86-Y102 HydrophobicContact CE1-CE2 3.5Å; F86-V133 HydrophobicContact CZ-CG1 4.36Å; F86-M136 HydrophobicContact CE2-CB 4.06Å; F86-M136 HydrophobicContact CZ-CB 4.23Å; F86-L137 HydrophobicContact CB-CD1 4.49Å; F86-L137 HydrophobicContact CD2-CD1 3.94Å; F86-L137 HydrophobicContact CE2-CB 4.21Å; F86-L137 HydrophobicContact CE2-CD1 4.33Å; F86-L137 HydrophobicContact CG-CD1 4.11Å; F86-L137 HydrophobicContact CZ-CB 4.49Å; F86-F140 HydrophobicContact CB-CD1 3.98Å; F86-F140 HydrophobicContact CB-CE1 3.94Å; F86-F140 HydrophobicContact CD2-CB 3.95Å; F86-F140 AromaticContact CD2-CD1 3.99Å; F86-F140 HydrophobicContact CD2-CD1 3.99Å; F86-F140 AromaticContact CD2-CG 3.9Å; F86-F140 HydrophobicContact CD2-CG 3.9Å; F86-F140 HydrophobicContact CE2-CB 4.41Å
87	A	97.1	Very high	95.8	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-46	177.5	0	0	0	0	0	111.6	L68 L83 R89 Y90 L91	L68-A87 HydrophobicContact CD1-CB 3.87Å; L83-A87 WeakPolarHBondContact O-CB 3.18Å; L83-A87 PolarHBondContact O-N 3.36Å; A87-R89 PolarHBondContact O-N 3.41Å; A87-R89 VanDerWaalsContact O-N 3.15Å; A87-Y90 PolarHBondContact O-N 3.14Å; A87-L91 HydrophobicContact CB-CB 4.34Å; A87-L91 HydrophobicContact CB-CD1 3.91Å; A87-L91 WeakPolarHBondContact O-CB 3.26Å; A87-L91 PolarHBondContact O-N 3.33Å
88	K	95.4	Very high	95.8	Very high	85 Å²	85	39.1 Å²	39.1	37%	0.37	20%	0.203	S	C	.	.	H	α-helix	trans	-54.8	-35.6	176.5	172	172.7	177.2	-175.9	0	113	S84 L85 F86 P153 Y157	S84-K88 WeakPolarHBondContact O-CB 3.39Å; S84-K88 PolarHBondContact O-N 3.46Å; S84-K88 VanDerWaalsContact O-N 3.08Å; L85-K88 PolarHBondContact O-N 2.88Å; F86-K88 VanDerWaalsContact C-N 3.35Å; F86-K88 PolarHBondContact O-N 3.16Å; K88-P153 HydrophobicContact CB-CG 4.06Å; K88-P153 HydrophobicContact CD-CB 3.47Å; K88-P153 VanDerWaalsContact CD-CB 3.47Å; K88-P153 HydrophobicContact CD-CG 3.69Å; K88-P153 HydrophobicContact CG-CG 4.5Å; K88-Y157 HydrophobicContact CB-CE1 4.17Å; K88-Y157 HydrophobicContact CB-CE2 4.12Å; K88-Y157 HydrophobicContact CD-CD1 3.83Å; K88-Y157 HydrophobicContact CD-CE1 3.87Å; K88-Y157 HydrophobicContact CD-CG 4.23Å; K88-Y157 HydrophobicContact CG-CD1 4.06Å; K88-Y157 HydrophobicContact CG-CD2 4.01Å; K88-Y157 HydrophobicContact CG-CE1 3.89Å; K88-Y157 HydrophobicContact CG-CE2 3.83Å; K88-Y157 HydrophobicContact CG-CG 4.13Å
89	R	94.3	Very high	95.9	Very high	121 Å²	121	35 Å²	35	46%	0.457	18%	0.184	S	C	.	.	H	α-helix	trans	-86.7	-36.7	-174.5	-172.7	169.2	-179.2	150.4	-1.1	113.5	L85 F86 A87 E147	L85-R89 PolarHBondContact O-N 3.44Å; F86-R89 PolarHBondContact O-N 3.2Å; F86-R89 VanDerWaalsContact O-N 3.08Å; A87-R89 PolarHBondContact O-N 3.41Å; A87-R89 VanDerWaalsContact O-N 3.15Å; R89-E147 IonicContact NH1-OE1 3.19Å; R89-E147 PolarHBondContact NH1-OE1 2.94Å; R89-E147 IonicContact NH1-OE2 3.92Å
90	Y	95.9	Very high	95.8	Very high	46 Å²	46	38 Å²	38	18%	0.18	20%	0.198	C	C	.	.	H	α-helix	trans	-115.8	-24.6	-167.4	-61	-68.3	0	0	0	114.5	F86 A87 N92 T93 M94 M136 F140	F86-Y90 HydrophobicContact CD1-CD2 4.49Å; F86-Y90 AromaticContact CD2-CD2 3.44Å; F86-Y90 HydrophobicContact CD2-CD2 3.44Å; F86-Y90 VanDerWaalsContact CD2-CD2 3.44Å; F86-Y90 AromaticContact CD2-CE2 3.67Å; F86-Y90 HydrophobicContact CD2-CE2 3.67Å; F86-Y90 HydrophobicContact CE1-CD2 4.43Å; F86-Y90 AromaticContact CE2-CD2 3.37Å; F86-Y90 HydrophobicContact CE2-CD2 3.37Å; F86-Y90 AromaticContact CE2-CE2 3.66Å; F86-Y90 HydrophobicContact CE2-CE2 3.66Å; F86-Y90 HydrophobicContact CE2-CG 4.28Å; F86-Y90 HydrophobicContact CG-CD2 4.03Å; F86-Y90 AromaticContact CZ-CD2 3.91Å; F86-Y90 HydrophobicContact CZ-CD2 3.91Å; F86-Y90 HydrophobicContact CZ-CG 4.45Å; F86-Y90 WeakPolarHBondContact O-CD2 3.39Å; F86-Y90 PolarHBondContact O-N 3.43Å; A87-Y90 PolarHBondContact O-N 3.14Å; Y90-N92 VanDerWaalsContact C-N 3.25Å; Y90-N92 PolarHBondContact O-N 3.44Å; Y90-N92 VanDerWaalsContact O-N 3.16Å; Y90-T93 PolarHBondContact O-N 2.88Å; Y90-T93 PolarHBondContact O-OG1 3.44Å; Y90-M94 VanDerWaalsContact O-CG 3.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.5Å; Y90-M94 PolarHBondContact O-N 2.89Å; Y90-M136 HydrophobicContact CD1-CE 3.21Å; Y90-M136 HydrophobicContact CD2-CE 4.24Å; Y90-M136 HydrophobicContact CE1-CE 3.6Å; Y90-M136 HydrophobicContact CG-CE 3.58Å; Y90-F140 HydrophobicContact CE2-CB 4.4Å; Y90-F140 AromaticContact CE2-CD2 3.83Å; Y90-F140 HydrophobicContact CE2-CD2 3.83Å; Y90-F140 HydrophobicContact CE2-CE2 4.48Å; Y90-F140 HydrophobicContact CE2-CG 4.31Å
91	L	94.8	Very high	95.7	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.1	-168.3	-167	141.1	0	0	0	113.2	R64 L67 L68 A87 L99 Y102	R64-L91 HydrophobicContact CB-CD2 3.47Å; R64-L91 VanDerWaalsContact CB-CD2 3.47Å; R64-L91 WeakPolarHBondContact CD-O 3.4Å; R64-L91 HydrophobicContact CG-CD2 3.66Å; R64-L91 HydrophobicContact CG-CG 4.44Å; R64-L91 PolarHBondContact NE-O 2.87Å; R64-L91 VanDerWaalsContact NE-O 3.08Å; R64-L91 WeakPolarHBondContact O-CD2 3.46Å; L67-L91 HydrophobicContact CB-CD1 3.87Å; L68-L91 HydrophobicContact CB-CD1 4.34Å; A87-L91 HydrophobicContact CB-CB 4.34Å; A87-L91 HydrophobicContact CB-CD1 3.91Å; A87-L91 WeakPolarHBondContact O-CB 3.26Å; A87-L91 PolarHBondContact O-N 3.33Å; L91-L99 HydrophobicContact CG-CD2 4.3Å; L91-Y102 HydrophobicContact CD1-CE1 4.15Å
92	N	92.3	Very high	95.7	Very high	49 Å²	49	39.4 Å²	39.4	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-26.6	176.3	-63.2	-18.9	0	0	0	112.9	Y90 E161	Y90-N92 VanDerWaalsContact C-N 3.25Å; Y90-N92 PolarHBondContact O-N 3.44Å; Y90-N92 VanDerWaalsContact O-N 3.16Å; N92-E161 VanDerWaalsContact ND2-CD 3.29Å; N92-E161 PolarHBondContact ND2-OE1 2.75Å; N92-E161 PolarHBondContact ND2-OE2 2.82Å
93	T	93.2	Very high	95.7	Very high	107 Å²	107	38.9 Å²	38.9	66%	0.656	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-15	-179.3	56.2	0	0	0	0	113.3	Y90	Y90-T93 PolarHBondContact O-N 2.88Å; Y90-T93 PolarHBondContact O-OG1 3.44Å
94	M	95	Very high	95.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	22%	0.215	C	C	.	.			trans	-64.2	141.1	178.9	-81.7	173.5	173.3	0	0	113.1	R64 F86 Y90 Q98 L99 V133 M136	R64-M94 PolarHBondContact NH2-O 3.26Å; F86-M94 HydrophobicContact CE1-CE 3.58Å; F86-M94 HydrophobicContact CZ-CE 3.61Å; Y90-M94 VanDerWaalsContact O-CG 3.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.5Å; Y90-M94 PolarHBondContact O-N 2.89Å; M94-Q98 VanDerWaalsContact CA-OE1 3.29Å; M94-Q98 HydrophobicContact CB-CB 4Å; M94-Q98 HydrophobicContact CG-CB 3.93Å; M94-Q98 HydrophobicContact SD-CB 4.49Å; M94-L99 HydrophobicContact CB-CD2 3.84Å; M94-L99 HydrophobicContact CB-CG 4.01Å; M94-L99 HydrophobicContact SD-CD2 4.16Å; M94-V133 HydrophobicContact CE-CG1 4.19Å; M94-V133 HydrophobicContact CE-CG2 4.27Å; M94-M136 HydrophobicContact CE-CE 4.29Å
95	T	96.2	Very high	95.6	Very high	79 Å²	79	43.6 Å²	43.6	49%	0.485	22%	0.217	S	C	.	.			trans	-75.7	165.1	169.5	66.6	0	0	0	0	111.3	S97 Q98 L99	T95-S97 VanDerWaalsContact C-N 3.31Å; T95-S97 PolarHBondContact O-N 3.26Å; T95-Q98 PolarHBondContact O-N 3.03Å; T95-Q98 VanDerWaalsContact O-N 3.15Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.38Å; T95-Q98 PolarHBondContact OG1-N 3.15Å; T95-Q98 PolarHBondContact OG1-OE1 3.21Å; T95-L99 WeakPolarHBondContact O-CG 3.2Å; T95-L99 PolarHBondContact O-N 2.93Å
96	D	94.2	Very high	95.5	Very high	59 Å²	59	42 Å²	42	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-38.3	-179.6	-175.2	62.2	0	0	0	112.8	K63 Q98 L99 Q100	K63-D96 IonicContact NZ-OD1 2.87Å; K63-D96 PolarHBondContact NZ-OD1 2.87Å; D96-Q98 PolarHBondContact O-N 3.28Å; D96-L99 PolarHBondContact O-N 2.75Å; D96-Q100 VanDerWaalsContact O-CG 3.32Å; D96-Q100 WeakPolarHBondContact O-CG 3.44Å; D96-Q100 PolarHBondContact O-N 2.88Å; D96-Q100 PolarHBondContact OD2-NE2 3.04Å
97	S	94.5	Very high	95.4	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-38.8	175.8	178.9	0	0	0	0	112.2	T95 Q100 Q101	T95-S97 VanDerWaalsContact C-N 3.31Å; T95-S97 PolarHBondContact O-N 3.26Å; S97-Q100 PolarHBondContact O-N 3.4Å; S97-Q101 WeakPolarHBondContact O-CG 3.4Å; S97-Q101 PolarHBondContact O-N 3.44Å
98	Q	96.4	Very high	95.3	Very high	23 Å²	23	46.7 Å²	46.7	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-37.9	174	-70.9	165.8	-22.5	0	0	111.5	M94 T95 D96 Q100 Q101 Y102 E132 V133	M94-Q98 VanDerWaalsContact CA-OE1 3.29Å; M94-Q98 HydrophobicContact CB-CB 4Å; M94-Q98 HydrophobicContact CG-CB 3.93Å; M94-Q98 HydrophobicContact SD-CB 4.49Å; T95-Q98 PolarHBondContact O-N 3.03Å; T95-Q98 VanDerWaalsContact O-N 3.15Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.38Å; T95-Q98 PolarHBondContact OG1-N 3.15Å; T95-Q98 PolarHBondContact OG1-OE1 3.21Å; D96-Q98 PolarHBondContact O-N 3.28Å; Q98-Q100 VanDerWaalsContact C-N 3.33Å; Q98-Q100 PolarHBondContact O-N 3.08Å; Q98-Q101 PolarHBondContact O-N 3.43Å; Q98-Y102 WeakPolarHBondContact O-CB 3.35Å; Q98-Y102 PolarHBondContact O-N 3.19Å; Q98-E132 PolarHBondContact NE2-OE1 3.08Å; Q98-E132 PolarHBondContact NE2-OE2 2.84Å; Q98-V133 HydrophobicContact CB-CG2 3.95Å; Q98-V133 HydrophobicContact CG-CG2 4.27Å; Q98-V133 WeakPolarHBondContact O-CG2 3.12Å
99	L	96.3	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-38.6	174.7	-68.1	173.9	0	0	0	111.7	I60 K63 R64 L67 L91 M94 T95 D96 Y102 D103	I60-L99 HydrophobicContact CG2-CD1 3.8Å; K63-L99 HydrophobicContact CD-CB 3.9Å; K63-L99 HydrophobicContact CD-CD1 4.37Å; R64-L99 HydrophobicContact CG-CD1 3.86Å; R64-L99 HydrophobicContact CG-CD2 4.18Å; L67-L99 HydrophobicContact CD1-CB 4.16Å; L67-L99 HydrophobicContact CD1-CD2 3.97Å; L91-L99 HydrophobicContact CG-CD2 4.3Å; M94-L99 HydrophobicContact CB-CD2 3.84Å; M94-L99 HydrophobicContact CB-CG 4.01Å; M94-L99 HydrophobicContact SD-CD2 4.16Å; T95-L99 WeakPolarHBondContact O-CG 3.2Å; T95-L99 PolarHBondContact O-N 2.93Å; D96-L99 PolarHBondContact O-N 2.75Å; L99-Y102 PolarHBondContact O-N 3.27Å; L99-D103 WeakPolarHBondContact O-CB 2.97Å; L99-D103 PolarHBondContact O-N 3.41Å
100	Q	95.1	Very high	95	Very high	63 Å²	63	42.4 Å²	42.4	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-45.8	174	-69.3	170.6	4.7	0	0	111.6	E54 D96 S97 Q98 Y102 D103 R104	E54-Q100 WeakPolarHBondContact OE1-CG 3.46Å; D96-Q100 VanDerWaalsContact O-CG 3.32Å; D96-Q100 WeakPolarHBondContact O-CG 3.44Å; D96-Q100 PolarHBondContact O-N 2.88Å; D96-Q100 PolarHBondContact OD2-NE2 3.04Å; S97-Q100 PolarHBondContact O-N 3.4Å; Q98-Q100 VanDerWaalsContact C-N 3.33Å; Q98-Q100 PolarHBondContact O-N 3.08Å; Q100-Y102 VanDerWaalsContact C-N 3.3Å; Q100-Y102 PolarHBondContact O-N 3.38Å; Q100-D103 PolarHBondContact O-N 3.2Å; Q100-R104 WeakPolarHBondContact O-CB 3.31Å; Q100-R104 PolarHBondContact O-N 2.68Å
101	Q	95.8	Very high	94.8	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-41.4	174.5	-73.5	179.9	6.7	0	0	111.9	S97 Q98 L105 V133	S97-Q101 WeakPolarHBondContact O-CG 3.4Å; S97-Q101 PolarHBondContact O-N 3.44Å; Q98-Q101 PolarHBondContact O-N 3.43Å; Q101-L105 VanDerWaalsContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CB 3.37Å; Q101-L105 PolarHBondContact O-N 2.99Å; Q101-V133 HydrophobicContact CB-CB 4.24Å; Q101-V133 HydrophobicContact CB-CG2 3.8Å
102	Y	97.4	Very high	94.7	Very high	1 Å²	1	45 Å²	45	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-44.1	178	-173.1	-118.3	0	0	0	112.1	L67 S71 F86 L91 Q98 L99 Q100 R104 L105 I106 V133	L67-Y102 HydrophobicContact CB-CD1 4.35Å; L67-Y102 HydrophobicContact CB-CE1 4.39Å; L67-Y102 HydrophobicContact CD1-CD1 4.24Å; L67-Y102 HydrophobicContact CD2-CD1 4.38Å; S71-Y102 WeakPolarHBondContact OG-CE1 3.24Å; S71-Y102 PolarHBondContact OG-OH 3.14Å; F86-Y102 HydrophobicContact CD1-CD2 4.42Å; F86-Y102 AromaticContact CD1-CE2 3.65Å; F86-Y102 HydrophobicContact CD1-CE2 3.65Å; F86-Y102 AromaticContact CD1-CZ 3.98Å; F86-Y102 AromaticContact CE1-CD2 3.82Å; F86-Y102 HydrophobicContact CE1-CD2 3.82Å; F86-Y102 AromaticContact CE1-CE2 3.5Å; F86-Y102 HydrophobicContact CE1-CE2 3.5Å; L91-Y102 HydrophobicContact CD1-CE1 4.15Å; Q98-Y102 WeakPolarHBondContact O-CB 3.35Å; Q98-Y102 PolarHBondContact O-N 3.19Å; L99-Y102 PolarHBondContact O-N 3.27Å; Q100-Y102 VanDerWaalsContact C-N 3.3Å; Q100-Y102 PolarHBondContact O-N 3.38Å; Y102-R104 VanDerWaalsContact C-N 3.34Å; Y102-R104 PolarHBondContact O-N 3.42Å; Y102-L105 PolarHBondContact O-N 3.36Å; Y102-I106 HydrophobicContact CD1-CD1 4.09Å; Y102-I106 HydrophobicContact CD2-CG2 3.94Å; Y102-I106 HydrophobicContact CE1-CD1 3.66Å; Y102-I106 HydrophobicContact CE1-CG2 4.42Å; Y102-I106 HydrophobicContact CE2-CG2 3.53Å; Y102-I106 WeakPolarHBondContact O-CG1 3.39Å; Y102-I106 WeakPolarHBondContact O-CG2 3.47Å; Y102-I106 PolarHBondContact O-N 3.21Å; Y102-V133 HydrophobicContact CD2-CG1 3.7Å; Y102-V133 HydrophobicContact CG-CG1 4.27Å
103	D	96.4	Very high	94.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-50.3	175.8	-169.1	17.5	0	0	0	111.1	W52 R66 L67 L99 Q100 I106 N107	W52-D103 HydrophobicContact CZ2-CB 4.45Å; R66-D103 IonicContact CZ-OD1 3.09Å; R66-D103 IonicContact CZ-OD2 3.96Å; R66-D103 IonicContact NH1-OD1 3.3Å; R66-D103 PolarHBondContact NH1-OD1 3.45Å; R66-D103 IonicContact NH1-OD2 3.37Å; R66-D103 VanDerWaalsContact NH2-CG 3.31Å; R66-D103 IonicContact NH2-OD1 3.93Å; R66-D103 PolarHBondContact NH2-OD1 3.28Å; R66-D103 IonicContact NH2-OD2 3.02Å; R66-D103 PolarHBondContact NH2-OD2 2.93Å; L67-D103 HydrophobicContact CD1-CB 4.42Å; L67-D103 HydrophobicContact CD2-CB 3.61Å; L67-D103 WeakPolarHBondContact CD2-OD1 3.48Å; L99-D103 WeakPolarHBondContact O-CB 2.97Å; L99-D103 PolarHBondContact O-N 3.41Å; Q100-D103 PolarHBondContact O-N 3.2Å; D103-I106 PolarHBondContact O-N 3.49Å; D103-N107 VanDerWaalsContact O-CB 3.31Å; D103-N107 WeakPolarHBondContact O-CB 3.29Å; D103-N107 PolarHBondContact O-N 3.38Å; D103-N107 PolarHBondContact O-ND2 3.06Å; D103-N107 PolarHBondContact OD1-ND2 3.16Å
104	R	95.6	Very high	95	Very high	95 Å²	95	44.8 Å²	44.8	36%	0.358	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-50	176.6	-172.5	176.8	-174.1	168.7	15.2	111.5	W52 Q100 Y102 I106 N107 E108 Y129	W52-R104 HydrophobicContact CH2-CB 4.18Å; W52-R104 HydrophobicContact CH2-CG 4.5Å; W52-R104 HydrophobicContact CZ2-CB 4.43Å; W52-R104 HydrophobicContact CZ3-CG 4.41Å; Q100-R104 WeakPolarHBondContact O-CB 3.31Å; Q100-R104 PolarHBondContact O-N 2.68Å; Y102-R104 VanDerWaalsContact C-N 3.34Å; Y102-R104 PolarHBondContact O-N 3.42Å; R104-I106 VanDerWaalsContact C-N 3.29Å; R104-I106 PolarHBondContact O-N 2.92Å; R104-N107 PolarHBondContact O-N 3.14Å; R104-E108 WeakPolarHBondContact CD-OE2 3.19Å; R104-E108 HydrophobicContact CG-CB 4.2Å; R104-E108 WeakPolarHBondContact CG-OE2 3.41Å; R104-E108 IonicContact CZ-OE1 2.97Å; R104-E108 IonicContact CZ-OE2 3.53Å; R104-E108 IonicContact NE-OE1 2.74Å; R104-E108 PolarHBondContact NE-OE1 3.36Å; R104-E108 IonicContact NE-OE2 2.69Å; R104-E108 PolarHBondContact NE-OE2 2.96Å; R104-E108 IonicContact NH2-OE1 2.93Å; R104-E108 PolarHBondContact NH2-OE1 3.46Å; R104-E108 IonicContact NH2-OE2 3.5Å; R104-E108 PolarHBondContact NH2-OE2 3.36Å; R104-E108 WeakPolarHBondContact O-CB 3.44Å; R104-E108 PolarHBondContact O-N 3.34Å; R104-Y129 HydrophobicContact CG-CE1 4.4Å
105	L	96.4	Very high	95	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-41.9	-178.6	172.2	59	0	0	0	113	Q101 Y102 P109 W118 Y129 V133 M134 L137	Q101-L105 VanDerWaalsContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CB 3.37Å; Q101-L105 PolarHBondContact O-N 2.99Å; Y102-L105 PolarHBondContact O-N 3.36Å; L105-P109 VanDerWaalsContact O-CD 3.24Å; L105-P109 WeakPolarHBondContact O-CD 3.47Å; L105-P109 VanDerWaalsContact O-CG 3.29Å; L105-P109 WeakPolarHBondContact O-CG 3.46Å; L105-W118 HydrophobicContact CD1-CE3 4.25Å; L105-W118 HydrophobicContact CD1-CZ3 4.38Å; L105-Y129 HydrophobicContact CD1-CD1 4.27Å; L105-Y129 HydrophobicContact CD1-CG 4.38Å; L105-V133 HydrophobicContact CD2-CG1 4.19Å; L105-M134 HydrophobicContact CD1-CE 3.18Å; L105-M134 HydrophobicContact CD2-CE 3.88Å; L105-M134 HydrophobicContact CG-CE 4.17Å; L105-L137 HydrophobicContact CD2-CD2 3.96Å
106	I	96.3	Very high	95	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-92.8	-18.1	-172.4	75.3	-179.1	0	0	0	113.3	L67 E70 R74 L83 Y102 D103 R104	L67-I106 HydrophobicContact CD2-CD1 3.99Å; E70-I106 HydrophobicContact CB-CD1 4.39Å; R74-I106 PolarHBondContact NH1-O 2.68Å; R74-I106 VanDerWaalsContact NH2-CB 3.26Å; R74-I106 VanDerWaalsContact NH2-CG1 3.27Å; R74-I106 PolarHBondContact NH2-O 3.26Å; L83-I106 HydrophobicContact CD1-CG2 4.37Å; Y102-I106 HydrophobicContact CD1-CD1 4.09Å; Y102-I106 HydrophobicContact CD2-CG2 3.94Å; Y102-I106 HydrophobicContact CE1-CD1 3.66Å; Y102-I106 HydrophobicContact CE1-CG2 4.42Å; Y102-I106 HydrophobicContact CE2-CG2 3.53Å; Y102-I106 WeakPolarHBondContact O-CG1 3.39Å; Y102-I106 WeakPolarHBondContact O-CG2 3.47Å; Y102-I106 PolarHBondContact O-N 3.21Å; D103-I106 PolarHBondContact O-N 3.49Å; R104-I106 VanDerWaalsContact C-N 3.29Å; R104-I106 PolarHBondContact O-N 2.92Å
107	N	95.6	Very high	95.2	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-118.4	-19.5	-172.8	-64.5	-41.2	0	0	0	114.7	E70 R74 D103 R104	E70-N107 PolarHBondContact OE2-ND2 2.75Å; R74-N107 PolarHBondContact NH2-OD1 2.77Å; D103-N107 VanDerWaalsContact O-CB 3.31Å; D103-N107 WeakPolarHBondContact O-CB 3.29Å; D103-N107 PolarHBondContact O-N 3.38Å; D103-N107 PolarHBondContact O-ND2 3.06Å; D103-N107 PolarHBondContact OD1-ND2 3.16Å; R104-N107 PolarHBondContact O-N 3.14Å
108	E	94.3	Very high	95.3	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	21%	0.206	S	C	.	.	S	Bend	trans	-75.9	-42.3	175.9	-171	-177.1	-152.9	0	0	112.8	W52 R104 S110 Y129	W52-E108 HydrophobicContact CB-CB 4.21Å; W52-E108 HydrophobicContact CB-CG 4.05Å; W52-E108 HydrophobicContact CD2-CB 4.42Å; W52-E108 HydrophobicContact CG-CB 4.11Å; W52-E108 HydrophobicContact CG-CG 4.41Å; R104-E108 WeakPolarHBondContact CD-OE2 3.19Å; R104-E108 HydrophobicContact CG-CB 4.2Å; R104-E108 WeakPolarHBondContact CG-OE2 3.41Å; R104-E108 IonicContact CZ-OE1 2.97Å; R104-E108 IonicContact CZ-OE2 3.53Å; R104-E108 IonicContact NE-OE1 2.74Å; R104-E108 PolarHBondContact NE-OE1 3.36Å; R104-E108 IonicContact NE-OE2 2.69Å; R104-E108 PolarHBondContact NE-OE2 2.96Å; R104-E108 IonicContact NH2-OE1 2.93Å; R104-E108 PolarHBondContact NH2-OE1 3.46Å; R104-E108 IonicContact NH2-OE2 3.5Å; R104-E108 PolarHBondContact NH2-OE2 3.36Å; R104-E108 WeakPolarHBondContact O-CB 3.44Å; R104-E108 PolarHBondContact O-N 3.34Å; E108-S110 PolarHBondContact O-N 2.94Å; E108-Y129 HydrophobicContact CB-CE1 4.09Å; E108-Y129 HydrophobicContact CG-CE1 4.38Å; E108-Y129 WeakPolarHBondContact CG-OH 3.49Å; E108-Y129 WeakPolarHBondContact OE2-CE1 3.11Å; E108-Y129 PolarHBondContact OE2-OH 3.28Å
109	P	92.8	Very high	95.3	Very high	19 Å²	19	42.1 Å²	42.1	12%	0.123	20%	0.202	C	C	.	.			trans	-66.7	132.7	176.6	-17.8	30.6	0	0	0	111.9	L105 N111 I115 W118 Y129	L105-P109 VanDerWaalsContact O-CD 3.24Å; L105-P109 WeakPolarHBondContact O-CD 3.47Å; L105-P109 VanDerWaalsContact O-CG 3.29Å; L105-P109 WeakPolarHBondContact O-CG 3.46Å; P109-N111 VanDerWaalsContact C-N 3.35Å; P109-I115 HydrophobicContact CB-CD1 4.47Å; P109-I115 HydrophobicContact CB-CG1 4.23Å; P109-I115 HydrophobicContact CG-CD1 4.36Å; P109-I115 HydrophobicContact CG-CG1 4.09Å; P109-W118 HydrophobicContact CB-CH2 3.9Å; P109-W118 HydrophobicContact CB-CZ3 4.11Å; P109-W118 HydrophobicContact CG-CH2 3.73Å; P109-W118 HydrophobicContact CG-CZ3 3.55Å; P109-Y129 HydrophobicContact CG-CE1 3.98Å; P109-Y129 HydrophobicContact CG-CE2 4.27Å
110	S	90.1	Very high	95.4	Very high	98 Å²	98	44.4 Å²	44.4	69%	0.685	22%	0.216	S	C	*	.	S	Bend	trans	-77.2	-21.7	-179.7	-44.4	0	0	0	0	113.6	L49 E108	L49-S110 WeakPolarHBondContact CD1-OG 3.38Å; E108-S110 PolarHBondContact O-N 2.94Å
111	N	92.1	Very high	95.4	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.353	23%	0.225	S	C	.	.			trans	-115.2	119.6	-175.9	-179.8	17.7	0	0	0	111.1	P109 W113 D114	P109-N111 VanDerWaalsContact C-N 3.35Å; N111-W113 PolarHBondContact O-N 2.68Å; N111-W113 PolarHBondContact OD1-N 2.64Å; N111-W113 VanDerWaalsContact OD1-N 3.12Å; N111-D114 PolarHBondContact ND2-OD1 3.33Å; N111-D114 WeakPolarHBondContact O-CB 3.49Å; N111-D114 PolarHBondContact O-N 3.1Å; N111-D114 VanDerWaalsContact O-N 3.17Å
112	D	93.6	Very high	95.5	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-30	177.1	-87.7	-55.9	0	0	0	112.5	R74 G75 M76 N79 D114 I115 Y116	R74-D112 VanDerWaalsContact CD-OD1 3.25Å; R74-D112 WeakPolarHBondContact CD-OD1 3.47Å; R74-D112 IonicContact NH1-OD1 3.58Å; G75-D112 PolarHBondContact N-OD2 2.86Å; M76-D112 HydrophobicContact CE-CB 3.64Å; M76-D112 HydrophobicContact CG-CB 4.21Å; M76-D112 HydrophobicContact SD-CB 4.29Å; N79-D112 PolarHBondContact ND2-O 3.37Å; N79-D112 PolarHBondContact ND2-OD1 3.46Å; D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 3.49Å; D112-I115 PolarHBondContact O-N 3.08Å; D112-Y116 PolarHBondContact O-N 3.49Å
113	W	94.8	Very high	95.4	Very high	104 Å²	104	50.5 Å²	50.5	39%	0.394	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-33.1	178.4	-75.2	105.3	0	0	0	112.8	M76 N111 I115 Y116 Y117	M76-W113 HydrophobicContact CE-CB 4.13Å; M76-W113 HydrophobicContact CE-CD2 3.26Å; M76-W113 HydrophobicContact CE-CE3 3.73Å; M76-W113 HydrophobicContact CE-CG 3.44Å; M76-W113 VanDerWaalsContact CE-CG 3.44Å; M76-W113 HydrophobicContact CE-CH2 4.31Å; M76-W113 HydrophobicContact CE-CZ2 3.93Å; M76-W113 HydrophobicContact CE-CZ3 4.22Å; M76-W113 HydrophobicContact SD-CD2 4.4Å; M76-W113 HydrophobicContact SD-CE3 4.31Å; M76-W113 HydrophobicContact SD-CZ3 4.44Å; N111-W113 PolarHBondContact O-N 2.68Å; N111-W113 PolarHBondContact OD1-N 2.64Å; N111-W113 VanDerWaalsContact OD1-N 3.12Å; W113-I115 VanDerWaalsContact C-N 3.33Å; W113-I115 PolarHBondContact O-N 2.86Å; W113-Y116 HydrophobicContact CE3-CD1 4.34Å; W113-Y116 HydrophobicContact CZ3-CD1 4.29Å; W113-Y116 WeakPolarHBondContact O-CB 3.27Å; W113-Y116 PolarHBondContact O-N 3.15Å; W113-Y117 HydrophobicContact CB-CD2 4.3Å; W113-Y117 HydrophobicContact CB-CE2 3.83Å; W113-Y117 HydrophobicContact CE3-CE1 4.23Å; W113-Y117 AromaticContact CE3-CZ 3.97Å; W113-Y117 WeakPolarHBondContact O-CD2 3.18Å; W113-Y117 VanDerWaalsContact O-CG 3.28Å; W113-Y117 PolarHBondContact O-N 3.09Å
114	D	95.4	Very high	95.3	Very high	49 Å²	49	56 Å²	56	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-44	-179.1	-60.7	-13	0	0	0	109.8	N111 D112 Y116 Y117 W118	N111-D114 PolarHBondContact ND2-OD1 3.33Å; N111-D114 WeakPolarHBondContact O-CB 3.49Å; N111-D114 PolarHBondContact O-N 3.1Å; N111-D114 VanDerWaalsContact O-N 3.17Å; D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 3.49Å; D114-Y116 VanDerWaalsContact C-N 3.3Å; D114-Y116 PolarHBondContact O-N 2.92Å; D114-Y117 PolarHBondContact O-N 3.03Å; D114-W118 HydrophobicContact CB-CD2 4.48Å; D114-W118 HydrophobicContact CB-CH2 3.87Å; D114-W118 HydrophobicContact CB-CZ2 3.52Å; D114-W118 HydrophobicContact CB-CZ3 4.49Å; D114-W118 PolarHBondContact O-N 3.13Å
115	I	95.9	Very high	95.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-45.8	174.6	-59	170.7	0	0	0	110.5	P109 D112 W113 W118 A119	P109-I115 HydrophobicContact CB-CD1 4.47Å; P109-I115 HydrophobicContact CB-CG1 4.23Å; P109-I115 HydrophobicContact CG-CD1 4.36Å; P109-I115 HydrophobicContact CG-CG1 4.09Å; D112-I115 PolarHBondContact O-N 3.08Å; W113-I115 VanDerWaalsContact C-N 3.33Å; W113-I115 PolarHBondContact O-N 2.86Å; I115-W118 HydrophobicContact CG1-CE3 4.48Å; I115-W118 HydrophobicContact CG1-CZ3 4.23Å; I115-W118 PolarHBondContact O-N 2.88Å; I115-A119 VanDerWaalsContact O-CB 3.31Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 2.98Å
116	Y	96.8	Very high	95.3	Very high	73 Å²	73	54.1 Å²	54.1	29%	0.286	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-43.4	179.4	-173.2	-101.5	0	0	0	112.1	E78 N79 L82 D112 W113 D114 A119 T120	E78-Y116 HydrophobicContact CB-CD2 4.07Å; E78-Y116 HydrophobicContact CB-CE2 3.88Å; E78-Y116 HydrophobicContact CG-CE2 4.46Å; N79-Y116 WeakPolarHBondContact OD1-CB 3.24Å; L82-Y116 HydrophobicContact CD2-CD2 4.46Å; D112-Y116 PolarHBondContact O-N 3.49Å; W113-Y116 HydrophobicContact CE3-CD1 4.34Å; W113-Y116 HydrophobicContact CZ3-CD1 4.29Å; W113-Y116 WeakPolarHBondContact O-CB 3.27Å; W113-Y116 PolarHBondContact O-N 3.15Å; D114-Y116 VanDerWaalsContact C-N 3.3Å; D114-Y116 PolarHBondContact O-N 2.92Å; Y116-A119 PolarHBondContact O-N 3.43Å; Y116-T120 HydrophobicContact CD1-CG2 4.26Å; Y116-T120 HydrophobicContact CD2-CG2 4.48Å; Y116-T120 HydrophobicContact CE1-CG2 3.83Å; Y116-T120 HydrophobicContact CE2-CG2 4.07Å; Y116-T120 WeakPolarHBondContact O-CB 3.29Å; Y116-T120 WeakPolarHBondContact O-CG2 3.29Å; Y116-T120 PolarHBondContact O-N 3.4Å; Y116-T120 PolarHBondContact O-OG1 2.98Å
117	Y	97.3	Very high	95.2	Very high	79 Å²	79	62 Å²	62	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-36.5	178.7	-65.1	-39	0	0	0	112.8	W113 D114 T120 E121 A122 Q123	W113-Y117 HydrophobicContact CB-CD2 4.3Å; W113-Y117 HydrophobicContact CB-CE2 3.83Å; W113-Y117 HydrophobicContact CE3-CE1 4.23Å; W113-Y117 AromaticContact CE3-CZ 3.97Å; W113-Y117 WeakPolarHBondContact O-CD2 3.18Å; W113-Y117 VanDerWaalsContact O-CG 3.28Å; W113-Y117 PolarHBondContact O-N 3.09Å; D114-Y117 PolarHBondContact O-N 3.03Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.23Å; Y117-T120 PolarHBondContact O-OG1 3.22Å; Y117-E121 PolarHBondContact O-N 3.38Å; Y117-E121 VanDerWaalsContact O-N 3.14Å; Y117-A122 HydrophobicContact CD1-CB 4.1Å; Y117-A122 PolarHBondContact O-N 3.03Å; Y117-Q123 HydrophobicContact CG-CG 4.4Å; Y117-Q123 PolarHBondContact O-N 3.02Å
118	W	97.2	Very high	95.1	Very high	15 Å²	15	63.5 Å²	63.5	6%	0.057	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-42.5	174.3	-55.6	-25.1	0	0	0	111.6	L105 P109 D114 I115 T120 E121 T125 P126 Y129 M134 K138	L105-W118 HydrophobicContact CD1-CE3 4.25Å; L105-W118 HydrophobicContact CD1-CZ3 4.38Å; P109-W118 HydrophobicContact CB-CH2 3.9Å; P109-W118 HydrophobicContact CB-CZ3 4.11Å; P109-W118 HydrophobicContact CG-CH2 3.73Å; P109-W118 HydrophobicContact CG-CZ3 3.55Å; D114-W118 HydrophobicContact CB-CD2 4.48Å; D114-W118 HydrophobicContact CB-CH2 3.87Å; D114-W118 HydrophobicContact CB-CZ2 3.52Å; D114-W118 HydrophobicContact CB-CZ3 4.49Å; D114-W118 PolarHBondContact O-N 3.13Å; I115-W118 HydrophobicContact CG1-CE3 4.48Å; I115-W118 HydrophobicContact CG1-CZ3 4.23Å; I115-W118 PolarHBondContact O-N 2.88Å; W118-T120 VanDerWaalsContact C-N 3.35Å; W118-T120 PolarHBondContact O-N 2.92Å; W118-E121 PolarHBondContact O-N 3.44Å; W118-T125 HydrophobicContact CB-CG2 4.39Å; W118-T125 HydrophobicContact CG-CG2 4.38Å; W118-P126 VanDerWaalsContact CE2-CD 3.47Å; W118-P126 HydrophobicContact CH2-CG 4.42Å; W118-P126 HydrophobicContact CZ2-CG 3.75Å; W118-Y129 HydrophobicContact CE3-CD2 4.37Å; W118-Y129 AromaticContact CH2-CD2 3.63Å; W118-Y129 HydrophobicContact CH2-CD2 3.63Å; W118-Y129 AromaticContact CH2-CE2 3.5Å; W118-Y129 HydrophobicContact CH2-CE2 3.5Å; W118-Y129 VanDerWaalsContact CH2-CE2 3.5Å; W118-Y129 HydrophobicContact CZ2-CD2 4.29Å; W118-Y129 HydrophobicContact CZ2-CE2 4.31Å; W118-Y129 AromaticContact CZ3-CD2 3.66Å; W118-Y129 HydrophobicContact CZ3-CD2 3.66Å; W118-Y129 AromaticContact CZ3-CE2 3.87Å; W118-Y129 HydrophobicContact CZ3-CE2 3.87Å; W118-Y129 HydrophobicContact CZ3-CG 4.12Å; W118-M134 HydrophobicContact CB-CE 4.05Å; W118-M134 HydrophobicContact CB-SD 4.23Å; W118-M134 HydrophobicContact CE3-CE 4.23Å; W118-K138 WeakPolarHBondContact O-CE 3.45Å
119	A	96.9	Very high	95.1	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-37.2	178.9	0	0	0	0	0	112.7	L82 I115 Y116 E121 L137 T141	L82-A119 HydrophobicContact CD2-CB 4.22Å; I115-A119 VanDerWaalsContact O-CB 3.31Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 2.98Å; Y116-A119 PolarHBondContact O-N 3.43Å; A119-E121 VanDerWaalsContact C-N 3.3Å; A119-L137 HydrophobicContact CB-CD2 3.92Å; A119-L137 HydrophobicContact CB-CG 3.91Å; A119-T141 WeakPolarHBondContact O-CB 3.44Å
120	T	96.6	Very high	95.1	Very high	49 Å²	49	67.5 Å²	67.5	30%	0.301	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.9	177	53.6	0	0	0	0	113.8	Y116 Y117 W118 A122 T141	Y116-T120 HydrophobicContact CD1-CG2 4.26Å; Y116-T120 HydrophobicContact CD2-CG2 4.48Å; Y116-T120 HydrophobicContact CE1-CG2 3.83Å; Y116-T120 HydrophobicContact CE2-CG2 4.07Å; Y116-T120 WeakPolarHBondContact O-CB 3.29Å; Y116-T120 WeakPolarHBondContact O-CG2 3.29Å; Y116-T120 PolarHBondContact O-N 3.4Å; Y116-T120 PolarHBondContact O-OG1 2.98Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.23Å; Y117-T120 PolarHBondContact O-OG1 3.22Å; W118-T120 VanDerWaalsContact C-N 3.35Å; W118-T120 PolarHBondContact O-N 2.92Å; T120-A122 PolarHBondContact O-N 3.24Å; T120-A122 VanDerWaalsContact O-N 3.16Å; T120-T141 HydrophobicContact CG2-CG2 3.82Å
121	E	96.7	Very high	95.3	Very high	104 Å²	104	63.9 Å²	63.9	49%	0.486	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.7	-175.3	-51.4	-177.9	114.6	0	0	113.4	Y117 W118 A119 Q123 K138 K142	Y117-E121 PolarHBondContact O-N 3.38Å; Y117-E121 VanDerWaalsContact O-N 3.14Å; W118-E121 PolarHBondContact O-N 3.44Å; A119-E121 VanDerWaalsContact C-N 3.3Å; E121-Q123 VanDerWaalsContact C-N 3.29Å; E121-K138 HydrophobicContact CG-CD 3.95Å; E121-K138 HydrophobicContact CG-CG 4.07Å; E121-K142 IonicContact OE1-NZ 3.71Å; E121-K142 WeakPolarHBondContact OE2-CE 3.47Å; E121-K142 IonicContact OE2-NZ 2.83Å; E121-K142 PolarHBondContact OE2-NZ 3.22Å
122	A	96.4	Very high	95.5	Very high	70 Å²	70	65.5 Å²	65.5	58%	0.579	34%	0.339	S	S	*	.	S	Bend	trans	-70.7	-28.2	175	0	0	0	0	0	112.1	Y117 T120	Y117-A122 HydrophobicContact CD1-CB 4.1Å; Y117-A122 PolarHBondContact O-N 3.03Å; T120-A122 PolarHBondContact O-N 3.24Å; T120-A122 VanDerWaalsContact O-N 3.16Å
123	Q	95.7	Very high	95.7	Very high	89 Å²	89	63.8 Å²	63.8	42%	0.416	33%	0.33	S	S	.	.	S	Bend	trans	-131.3	150.5	172.5	-68.9	-172.9	-2.9	0	0	110.7	Y117 E121 T125	Y117-Q123 HydrophobicContact CG-CG 4.4Å; Y117-Q123 PolarHBondContact O-N 3.02Å; E121-Q123 VanDerWaalsContact C-N 3.29Å; Q123-T125 PolarHBondContact O-N 3.17Å
124	P	95.5	Very high	95.8	Very high	118 Å²	118	59.1 Å²	59.1	77%	0.766	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-64.1	136.8	176.5	28.1	-34.6	0	0	0	110.4
125	T	95.4	Very high	95.9	Very high	8 Å²	8	63.2 Å²	63.2	5%	0.049	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.9	128.4	174.6	-48.9	0	0	0	0	109.9	W118 Q123 Q130 M134 K138	W118-T125 HydrophobicContact CB-CG2 4.39Å; W118-T125 HydrophobicContact CG-CG2 4.38Å; Q123-T125 PolarHBondContact O-N 3.17Å; T125-Q130 HydrophobicContact CG2-CG 4.26Å; T125-Q130 PolarHBondContact O-NE2 2.95Å; T125-M134 HydrophobicContact CG2-CE 3.71Å; T125-M134 HydrophobicContact CG2-CG 3.96Å; T125-M134 HydrophobicContact CG2-SD 4.15Å; T125-K138 WeakPolarHBondContact OG1-CE 3.46Å; T125-K138 PolarHBondContact OG1-NZ 2.63Å
126	P	96	Very high	95.9	Very high	53 Å²	53	65.1 Å²	65.1	34%	0.344	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-57.1	145.5	172.1	-22.5	31.9	0	0	0	111.9	W118 V128 Y129 Q130	W118-P126 VanDerWaalsContact CE2-CD 3.47Å; W118-P126 HydrophobicContact CH2-CG 4.42Å; W118-P126 HydrophobicContact CZ2-CG 3.75Å; P126-V128 PolarHBondContact O-N 3.24Å; P126-V128 VanDerWaalsContact O-N 3.08Å; P126-Y129 HydrophobicContact CB-CD2 3.89Å; P126-Y129 HydrophobicContact CB-CE2 4.39Å; P126-Y129 HydrophobicContact CG-CD2 3.89Å; P126-Y129 HydrophobicContact CG-CE2 4.3Å; P126-Y129 PolarHBondContact O-N 2.88Å; P126-Q130 PolarHBondContact O-N 3.37Å
127	E	94.4	Very high	96	Very high	167 Å²	167	61.7 Å²	61.7	78%	0.78	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-53.7	-33.8	-177.2	-65	178.9	-178.6	0	0	113.1	Y129 Q130	E127-Y129 PolarHBondContact O-N 3.18Å; E127-Q130 PolarHBondContact O-N 2.78Å
128	V	93.1	Very high	96	Very high	78 Å²	78	59.9 Å²	59.9	47%	0.473	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60	-32.1	178.2	-176.5	0	0	0	0	112.9	P126	P126-V128 PolarHBondContact O-N 3.24Å; P126-V128 VanDerWaalsContact O-N 3.08Å
129	Y	94.8	Very high	96	Very high	37 Å²	37	63.1 Å²	63.1	15%	0.145	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-104.7	4.1	-178.5	-54.7	-64.4	0	0	0	112.7	R104 L105 E108 P109 W118 P126 E127 M134	R104-Y129 HydrophobicContact CG-CE1 4.4Å; L105-Y129 HydrophobicContact CD1-CD1 4.27Å; L105-Y129 HydrophobicContact CD1-CG 4.38Å; E108-Y129 HydrophobicContact CB-CE1 4.09Å; E108-Y129 HydrophobicContact CG-CE1 4.38Å; E108-Y129 WeakPolarHBondContact CG-OH 3.49Å; E108-Y129 WeakPolarHBondContact OE2-CE1 3.11Å; E108-Y129 PolarHBondContact OE2-OH 3.28Å; P109-Y129 HydrophobicContact CG-CE1 3.98Å; P109-Y129 HydrophobicContact CG-CE2 4.27Å; W118-Y129 HydrophobicContact CE3-CD2 4.37Å; W118-Y129 AromaticContact CH2-CD2 3.63Å; W118-Y129 HydrophobicContact CH2-CD2 3.63Å; W118-Y129 AromaticContact CH2-CE2 3.5Å; W118-Y129 HydrophobicContact CH2-CE2 3.5Å; W118-Y129 VanDerWaalsContact CH2-CE2 3.5Å; W118-Y129 HydrophobicContact CZ2-CD2 4.29Å; W118-Y129 HydrophobicContact CZ2-CE2 4.31Å; W118-Y129 AromaticContact CZ3-CD2 3.66Å; W118-Y129 HydrophobicContact CZ3-CD2 3.66Å; W118-Y129 AromaticContact CZ3-CE2 3.87Å; W118-Y129 HydrophobicContact CZ3-CE2 3.87Å; W118-Y129 HydrophobicContact CZ3-CG 4.12Å; P126-Y129 HydrophobicContact CB-CD2 3.89Å; P126-Y129 HydrophobicContact CB-CE2 4.39Å; P126-Y129 HydrophobicContact CG-CD2 3.89Å; P126-Y129 HydrophobicContact CG-CE2 4.3Å; P126-Y129 PolarHBondContact O-N 2.88Å; E127-Y129 PolarHBondContact O-N 3.18Å; Y129-M134 VanDerWaalsContact O-CB 3.23Å; Y129-M134 WeakPolarHBondContact O-CB 3.5Å
130	Q	93	Very high	96	Very high	119 Å²	119	63.5 Å²	63.5	56%	0.556	34%	0.337	S	S	*	.			trans	-75.5	133.5	172.6	-69.4	175.9	16	0	0	109.2	T125 P126 E127	T125-Q130 HydrophobicContact CG2-CG 4.26Å; T125-Q130 PolarHBondContact O-NE2 2.95Å; P126-Q130 PolarHBondContact O-N 3.37Å; E127-Q130 PolarHBondContact O-N 2.78Å
131	G	94.5	Very high	96	Very high	22 Å²	22	62.5 Å²	62.5	23%	0.227	33%	0.331	C	S	.	.	S	Bend	trans	166.3	179	-177.6	0	0	0	0	0	111.8	V133 M134 E135	G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 3.47Å; G131-M134 PolarHBondContact O-N 3.39Å; G131-E135 PolarHBondContact O-N 3.06Å; G131-E135 VanDerWaalsContact O-N 3.11Å
132	E	96.1	Very high	96	Very high	100 Å²	100	62.7 Å²	62.7	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-43.3	-176	-171.8	-176	-176.1	0	0	111.8	Q98 M134 E135 M136	Q98-E132 PolarHBondContact NE2-OE1 3.08Å; Q98-E132 PolarHBondContact NE2-OE2 2.84Å; E132-M134 VanDerWaalsContact C-N 3.35Å; E132-M134 PolarHBondContact O-N 3.48Å; E132-E135 PolarHBondContact O-N 3.43Å; E132-M136 HydrophobicContact CG-SD 4.3Å; E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.04Å; E132-M136 PolarHBondContact O-N 3.45Å
133	V	97.2	Very high	95.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-38.6	-178.9	176.1	0	0	0	0	112.3	F86 M94 Q98 Q101 Y102 L105 G131 M136 L137	F86-V133 HydrophobicContact CZ-CG1 4.36Å; M94-V133 HydrophobicContact CE-CG1 4.19Å; M94-V133 HydrophobicContact CE-CG2 4.27Å; Q98-V133 HydrophobicContact CB-CG2 3.95Å; Q98-V133 HydrophobicContact CG-CG2 4.27Å; Q98-V133 WeakPolarHBondContact O-CG2 3.12Å; Q101-V133 HydrophobicContact CB-CB 4.24Å; Q101-V133 HydrophobicContact CB-CG2 3.8Å; Y102-V133 HydrophobicContact CD2-CG1 3.7Å; Y102-V133 HydrophobicContact CG-CG1 4.27Å; L105-V133 HydrophobicContact CD2-CG1 4.19Å; G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 3.47Å; V133-M136 PolarHBondContact O-N 2.92Å; V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 PolarHBondContact O-N 3.49Å
134	M	97.1	Very high	95.9	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-40.4	176.2	173.5	60.7	63.7	0	0	111.2	L105 W118 T125 Y129 G131 E132 L137 K138	L105-M134 HydrophobicContact CD1-CE 3.18Å; L105-M134 HydrophobicContact CD2-CE 3.88Å; L105-M134 HydrophobicContact CG-CE 4.17Å; W118-M134 HydrophobicContact CB-CE 4.05Å; W118-M134 HydrophobicContact CB-SD 4.23Å; W118-M134 HydrophobicContact CE3-CE 4.23Å; T125-M134 HydrophobicContact CG2-CE 3.71Å; T125-M134 HydrophobicContact CG2-CG 3.96Å; T125-M134 HydrophobicContact CG2-SD 4.15Å; Y129-M134 VanDerWaalsContact O-CB 3.23Å; Y129-M134 WeakPolarHBondContact O-CB 3.5Å; G131-M134 PolarHBondContact O-N 3.39Å; E132-M134 VanDerWaalsContact C-N 3.35Å; E132-M134 PolarHBondContact O-N 3.48Å; M134-L137 PolarHBondContact O-N 3.11Å; M134-K138 HydrophobicContact CG-CD 4.29Å; M134-K138 WeakPolarHBondContact O-CG 3.25Å; M134-K138 PolarHBondContact O-N 2.66Å; M134-K138 HydrophobicContact SD-CD 4.35Å; M134-K138 HydrophobicContact SD-CG 4.16Å
135	E	97.2	Very high	95.8	Very high	136 Å²	136	62.7 Å²	62.7	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-62.3	-43.9	174.8	-69.4	178.4	178.2	0	0	111.4	G131 E132 L137 K138 E139	G131-E135 PolarHBondContact O-N 3.06Å; G131-E135 VanDerWaalsContact O-N 3.11Å; E132-E135 PolarHBondContact O-N 3.43Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.94Å; E135-K138 PolarHBondContact O-N 3.08Å; E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 3.39Å
136	M	97	Very high	95.7	Very high	42 Å²	42	70.4 Å²	70.4	21%	0.207	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-40.9	173.1	-69.7	174.9	68.3	0	0	111.9	F86 Y90 M94 E132 V133 F140	F86-M136 HydrophobicContact CE2-CB 4.06Å; F86-M136 HydrophobicContact CZ-CB 4.23Å; Y90-M136 HydrophobicContact CD1-CE 3.21Å; Y90-M136 HydrophobicContact CD2-CE 4.24Å; Y90-M136 HydrophobicContact CE1-CE 3.6Å; Y90-M136 HydrophobicContact CG-CE 3.58Å; M94-M136 HydrophobicContact CE-CE 4.29Å; E132-M136 HydrophobicContact CG-SD 4.3Å; E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.04Å; E132-M136 PolarHBondContact O-N 3.45Å; V133-M136 PolarHBondContact O-N 2.92Å; M136-F140 WeakPolarHBondContact O-CB 3.45Å; M136-F140 PolarHBondContact O-N 3.07Å
137	L	97.6	Very high	95.6	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-43.6	178.8	-178.8	61.6	0	0	0	112	L82 L83 F86 L105 A119 V133 M134 E135 F140 T141	L82-L137 HydrophobicContact CG-CD1 4.49Å; L83-L137 HydrophobicContact CD2-CD1 4.09Å; L83-L137 HydrophobicContact CD2-CD2 4.41Å; F86-L137 HydrophobicContact CB-CD1 4.49Å; F86-L137 HydrophobicContact CD2-CD1 3.94Å; F86-L137 HydrophobicContact CE2-CB 4.21Å; F86-L137 HydrophobicContact CE2-CD1 4.33Å; F86-L137 HydrophobicContact CG-CD1 4.11Å; F86-L137 HydrophobicContact CZ-CB 4.49Å; L105-L137 HydrophobicContact CD2-CD2 3.96Å; A119-L137 HydrophobicContact CB-CD2 3.92Å; A119-L137 HydrophobicContact CB-CG 3.91Å; V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 PolarHBondContact O-N 3.49Å; M134-L137 PolarHBondContact O-N 3.11Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.94Å; L137-F140 PolarHBondContact O-N 2.9Å; L137-T141 WeakPolarHBondContact O-CB 3.15Å; L137-T141 PolarHBondContact O-N 3.13Å; L137-T141 PolarHBondContact O-OG1 3.19Å
138	K	97.6	Very high	95.5	Very high	41 Å²	41	71.2 Å²	71.2	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-47.5	175.2	-73.4	173.3	177.6	179	0	111.5	W118 E121 T125 M134 E135 F140 T141 K142	W118-K138 WeakPolarHBondContact O-CE 3.45Å; E121-K138 HydrophobicContact CG-CD 3.95Å; E121-K138 HydrophobicContact CG-CG 4.07Å; T125-K138 WeakPolarHBondContact OG1-CE 3.46Å; T125-K138 PolarHBondContact OG1-NZ 2.63Å; M134-K138 HydrophobicContact CG-CD 4.29Å; M134-K138 WeakPolarHBondContact O-CG 3.25Å; M134-K138 PolarHBondContact O-N 2.66Å; M134-K138 HydrophobicContact SD-CD 4.35Å; M134-K138 HydrophobicContact SD-CG 4.16Å; E135-K138 PolarHBondContact O-N 3.08Å; K138-F140 VanDerWaalsContact C-N 3.32Å; K138-F140 PolarHBondContact O-N 2.88Å; K138-T141 WeakPolarHBondContact O-CB 3.48Å; K138-T141 PolarHBondContact O-N 2.78Å; K138-T141 VanDerWaalsContact O-N 3.14Å; K138-K142 PolarHBondContact O-N 3.17Å
139	E	97.4	Very high	95.6	Very high	83 Å²	83	70 Å²	70	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-40.1	177.1	-180	57.6	-159.4	0	0	111.5	E135 T141 K142 K144	E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 3.39Å; E139-T141 VanDerWaalsContact C-N 3.31Å; E139-T141 PolarHBondContact O-N 3.12Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-K144 VanDerWaalsContact OE1-CD 3.3Å; E139-K144 WeakPolarHBondContact OE1-CD 3.03Å; E139-K144 WeakPolarHBondContact OE1-CE 3.34Å; E139-K144 IonicContact OE1-NZ 3.59Å; E139-K144 PolarHBondContact OE1-NZ 3.07Å; E139-K144 IonicContact OE2-NZ 3.63Å; E139-K144 PolarHBondContact OE2-NZ 3.29Å
140	F	96.8	Very high	95.6	Very high	10 Å²	10	73.4 Å²	73.4	4%	0.044	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-38.3	173.7	-175	-103	0	0	0	112.1	L82 L85 F86 Y90 M136 L137 K138 K142 N143 R149	L82-F140 HydrophobicContact CD1-CD1 3.9Å; L82-F140 HydrophobicContact CD1-CE1 4Å; L85-F140 HydrophobicContact CB-CE1 4.1Å; L85-F140 HydrophobicContact CB-CZ 3.75Å; F86-F140 HydrophobicContact CB-CD1 3.98Å; F86-F140 HydrophobicContact CB-CE1 3.94Å; F86-F140 HydrophobicContact CD2-CB 3.95Å; F86-F140 AromaticContact CD2-CD1 3.99Å; F86-F140 HydrophobicContact CD2-CD1 3.99Å; F86-F140 AromaticContact CD2-CG 3.9Å; F86-F140 HydrophobicContact CD2-CG 3.9Å; F86-F140 HydrophobicContact CE2-CB 4.41Å; Y90-F140 HydrophobicContact CE2-CB 4.4Å; Y90-F140 AromaticContact CE2-CD2 3.83Å; Y90-F140 HydrophobicContact CE2-CD2 3.83Å; Y90-F140 HydrophobicContact CE2-CE2 4.48Å; Y90-F140 HydrophobicContact CE2-CG 4.31Å; M136-F140 WeakPolarHBondContact O-CB 3.45Å; M136-F140 PolarHBondContact O-N 3.07Å; L137-F140 PolarHBondContact O-N 2.9Å; K138-F140 VanDerWaalsContact C-N 3.32Å; K138-F140 PolarHBondContact O-N 2.88Å; F140-K142 VanDerWaalsContact C-N 3.32Å; F140-K142 PolarHBondContact O-N 2.65Å; F140-N143 PolarHBondContact O-N 3.24Å; F140-R149 VanDerWaalsContact O-CZ 3.26Å; F140-R149 PolarHBondContact O-NH1 3.08Å; F140-R149 PolarHBondContact O-NH2 3.15Å
141	T	96.4	Very high	95.6	Very high	29 Å²	29	73.8 Å²	73.8	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-66.3	-33.5	-178.6	-58.5	0	0	0	0	112.2	A119 T120 L137 K138 E139 N143	A119-T141 WeakPolarHBondContact O-CB 3.44Å; T120-T141 HydrophobicContact CG2-CG2 3.82Å; L137-T141 WeakPolarHBondContact O-CB 3.15Å; L137-T141 PolarHBondContact O-N 3.13Å; L137-T141 PolarHBondContact O-OG1 3.19Å; K138-T141 WeakPolarHBondContact O-CB 3.48Å; K138-T141 PolarHBondContact O-N 2.78Å; K138-T141 VanDerWaalsContact O-N 3.14Å; E139-T141 VanDerWaalsContact C-N 3.31Å; E139-T141 PolarHBondContact O-N 3.12Å; T141-N143 PolarHBondContact O-N 3.12Å; T141-N143 VanDerWaalsContact O-N 3.08Å
142	K	96.1	Very high	95.6	Very high	107 Å²	107	74.7 Å²	74.7	47%	0.465	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.1	176.9	-70.9	172.5	-177.7	172.3	0	114.3	E121 K138 E139 F140 K144	E121-K142 IonicContact OE1-NZ 3.71Å; E121-K142 WeakPolarHBondContact OE2-CE 3.47Å; E121-K142 IonicContact OE2-NZ 2.83Å; E121-K142 PolarHBondContact OE2-NZ 3.22Å; K138-K142 PolarHBondContact O-N 3.17Å; E139-K142 PolarHBondContact O-N 3.49Å; F140-K142 VanDerWaalsContact C-N 3.32Å; F140-K142 PolarHBondContact O-N 2.65Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 HydrophobicContact CB-CG 4.44Å; K142-K144 PolarHBondContact O-N 3.35Å
143	N	95.5	Very high	95.6	Very high	37 Å²	37	70.6 Å²	70.6	20%	0.198	35%	0.346	C	S	.	.			trans	46.7	49.5	175.2	-165.3	22	0	0	0	113.9	F140 T141 N145 H146 E147 R149	F140-N143 PolarHBondContact O-N 3.24Å; T141-N143 PolarHBondContact O-N 3.12Å; T141-N143 VanDerWaalsContact O-N 3.08Å; N143-N145 PolarHBondContact O-N 3.3Å; N143-H146 PolarHBondContact O-N 2.77Å; N143-E147 PolarHBondContact ND2-N 3.08Å; N143-E147 PolarHBondContact ND2-O 3.09Å; N143-E147 WeakPolarHBondContact OD1-CB 3.42Å; N143-E147 PolarHBondContact OD1-N 2.84Å; N143-R149 PolarHBondContact OD1-NH2 3.14Å
144	K	94.4	Very high	95.5	Very high	133 Å²	133	73.8 Å²	73.8	58%	0.578	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.5	-176.8	-66.6	-179.1	-179.2	164.2	0	113.9	E139 K142 H146	E139-K144 VanDerWaalsContact OE1-CD 3.3Å; E139-K144 WeakPolarHBondContact OE1-CD 3.03Å; E139-K144 WeakPolarHBondContact OE1-CE 3.34Å; E139-K144 IonicContact OE1-NZ 3.59Å; E139-K144 PolarHBondContact OE1-NZ 3.07Å; E139-K144 IonicContact OE2-NZ 3.63Å; E139-K144 PolarHBondContact OE2-NZ 3.29Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 HydrophobicContact CB-CG 4.44Å; K142-K144 PolarHBondContact O-N 3.35Å; K144-H146 VanDerWaalsContact C-N 3.3Å; K144-H146 PolarHBondContact O-CD2 2.79Å
145	N	94.2	Very high	95.3	Very high	108 Å²	108	77.6 Å²	77.6	58%	0.578	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.9	179.1	-62	-19.9	0	0	0	113.5	N143 E147	N143-N145 PolarHBondContact O-N 3.3Å; N145-E147 HydrophobicContact CB-CG 3.84Å; N145-E147 PolarHBondContact ND2-OE1 2.91Å; N145-E147 PolarHBondContact O-N 3.1Å
146	H	92.6	Very high	95	Very high	169 Å²	169	76.5 Å²	76.5	78%	0.782	38%	0.383	S	S	*	.			trans	51.4	38.9	-174.4	-59.3	-86.2	0	0	0	112.9	N143 K144	N143-H146 PolarHBondContact O-N 2.77Å; K144-H146 VanDerWaalsContact C-N 3.3Å; K144-H146 PolarHBondContact O-CD2 2.79Å
147	E	93.8	Very high	94.6	Very high	74 Å²	74	75.7 Å²	75.7	35%	0.346	38%	0.378	S	S	.	.			trans	-63.5	141	177.2	-68.8	165.2	-158.3	0	0	109.5	R89 N143 N145 R149	R89-E147 IonicContact NH1-OE1 3.19Å; R89-E147 PolarHBondContact NH1-OE1 2.94Å; R89-E147 IonicContact NH1-OE2 3.92Å; N143-E147 PolarHBondContact ND2-N 3.08Å; N143-E147 PolarHBondContact ND2-O 3.09Å; N143-E147 WeakPolarHBondContact OD1-CB 3.42Å; N143-E147 PolarHBondContact OD1-N 2.84Å; N145-E147 HydrophobicContact CB-CG 3.84Å; N145-E147 PolarHBondContact ND2-OE1 2.91Å; N145-E147 PolarHBondContact O-N 3.1Å; E147-R149 PolarHBondContact O-N 2.85Å
148	Q	93.8	Very high	94.1	Very high	163 Å²	163	78.3 Å²	78.3	76%	0.762	39%	0.391	S	S	*	.			trans	-74.1	120.1	176.9	-177.2	173.2	39	0	0	109.9	L150	Q148-L150 HydrophobicContact CG-CD1 3.95Å; Q148-L150 HydrophobicContact CG-CG 3.67Å
149	R	94.8	Very high	93.5	Very high	54 Å²	54	83.2 Å²	83.2	20%	0.204	42%	0.415	C	S	.	.			trans	-120.4	68.6	-178.2	-57	-172.4	-179.6	172.4	-1.8	110.7	I81 L85 F140 N143 E147	I81-R149 HydrophobicContact CG2-CB 4.15Å; L85-R149 HydrophobicContact CD1-CB 3.83Å; L85-R149 HydrophobicContact CD1-CG 3.66Å; F140-R149 VanDerWaalsContact O-CZ 3.26Å; F140-R149 PolarHBondContact O-NH1 3.08Å; F140-R149 PolarHBondContact O-NH2 3.15Å; N143-R149 PolarHBondContact OD1-NH2 3.14Å; E147-R149 PolarHBondContact O-N 2.85Å
150	L	94	Very high	92.2	Very high	108 Å²	108	86.6 Å²	86.6	57%	0.565	43%	0.428	S	S	*	.	S	Bend	trans	-90.9	-43.1	-179.6	-64.5	-177.9	0	0	0	112.4	I81 Q148	I81-L150 WeakPolarHBondContact CD1-O 3.33Å; Q148-L150 HydrophobicContact CG-CD1 3.95Å; Q148-L150 HydrophobicContact CG-CG 3.67Å
151	D	94.8	Very high	90.5	Very high	126 Å²	126	91.6 Å²	91.6	67%	0.674	45%	0.452	S	S	*	.	S	Bend	trans	-134.8	158.9	-171.1	-60.7	-49.2	0	0	0	111.1
152	A	94.4	Very high	88.8	Confident	42 Å²	42	96.2 Å²	96.2	35%	0.347	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-64.4	140.7	169.3	0	0	0	0	0	110.3	S84	S84-A152 WeakPolarHBondContact OG-CB 3.43Å
153	P	94.6	Very high	86.3	Confident	14 Å²	14	102.3 Å²	102.3	9%	0.091	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-67.1	150.8	-176.3	27.7	-33.4	0	0	0	111.9	R72 S84 L85 K88	R72-P153 VanDerWaalsContact CZ-O 3.3Å; R72-P153 PolarHBondContact NH1-O 3.13Å; R72-P153 PolarHBondContact NH2-O 3.43Å; S84-P153 WeakPolarHBondContact OG-CD 3.41Å; L85-P153 HydrophobicContact CD2-CB 4.24Å; L85-P153 HydrophobicContact CD2-CG 4Å; K88-P153 HydrophobicContact CB-CG 4.06Å; K88-P153 HydrophobicContact CD-CB 3.47Å; K88-P153 VanDerWaalsContact CD-CB 3.47Å; K88-P153 HydrophobicContact CD-CG 3.69Å; K88-P153 HydrophobicContact CG-CG 4.5Å
154	S	94.8	Very high	85.9	Confident	68 Å²	68	105.6 Å²	105.6	48%	0.476	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-60.7	158.9	167.9	66.7	0	0	0	0	110.9	Y157	S154-Y157 WeakPolarHBondContact O-CD1 3.2Å; S154-Y157 WeakPolarHBondContact O-CE1 3.44Å
155	L	93.8	Very high	85.4	Confident	86 Å²	86	104.2 Å²	104.2	45%	0.45	52%	0.523	S	S	.	.	S	Bend	trans	-87.7	-4	-177.9	-66.9	174.3	0	0	0	114.1	L68 R72 Y157 L158	L68-L155 HydrophobicContact CD2-CD2 4.22Å; R72-L155 VanDerWaalsContact NH1-CD2 3.35Å; L155-Y157 PolarHBondContact O-N 3.17Å; L155-L158 HydrophobicContact CB-CD1 4.5Å; L155-L158 HydrophobicContact CD2-CD1 4.08Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.25Å
156	E	91.9	Very high	84.9	Confident	113 Å²	113	103.9 Å²	103.9	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-58.7	-21.2	-176.5	-63	175.3	-170.6	0	0	114.2	L158 E159	E156-L158 PolarHBondContact O-N 3.33Å; E156-E159 PolarHBondContact O-N 3.33Å
157	Y	87.6	Confident	84.5	Confident	25 Å²	25	100.1 Å²	100.1	10%	0.098	51%	0.505	C	S	.	.	H	α-helix	trans	-66.9	-26.3	177.9	68.7	-87.1	0	0	0	112.6	L68 K88 S154 L155 E159	L68-Y157 WeakPolarHBondContact CD1-OH 3.3Å; K88-Y157 HydrophobicContact CB-CE1 4.17Å; K88-Y157 HydrophobicContact CB-CE2 4.12Å; K88-Y157 HydrophobicContact CD-CD1 3.83Å; K88-Y157 HydrophobicContact CD-CE1 3.87Å; K88-Y157 HydrophobicContact CD-CG 4.23Å; K88-Y157 HydrophobicContact CG-CD1 4.06Å; K88-Y157 HydrophobicContact CG-CD2 4.01Å; K88-Y157 HydrophobicContact CG-CE1 3.89Å; K88-Y157 HydrophobicContact CG-CE2 3.83Å; K88-Y157 HydrophobicContact CG-CG 4.13Å; S154-Y157 WeakPolarHBondContact O-CD1 3.2Å; S154-Y157 WeakPolarHBondContact O-CE1 3.44Å; L155-Y157 PolarHBondContact O-N 3.17Å; Y157-E159 VanDerWaalsContact C-N 3.34Å
158	L	87.4	Confident	83.9	Confident	55 Å²	55	101.8 Å²	101.8	29%	0.288	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-33.2	178.7	-61.7	172.6	0	0	0	112.1	L68 L155 E156 T162	L68-L158 HydrophobicContact CD2-CD1 3.62Å; L68-L158 HydrophobicContact CD2-CD2 4.27Å; L68-L158 HydrophobicContact CD2-CG 4.49Å; L155-L158 HydrophobicContact CB-CD1 4.5Å; L155-L158 HydrophobicContact CD2-CD1 4.08Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.25Å; E156-L158 PolarHBondContact O-N 3.33Å; L158-T162 PolarHBondContact O-OG1 3.22Å
159	E	83.7	Confident	83.2	Confident	144 Å²	144	97.7 Å²	97.7	67%	0.673	50%	0.498	S	S	*	.	H	α-helix	trans	-70.4	-40.1	-179.9	-62	176	-179.1	0	0	110.9	E156 Y157 E161 T162	E156-E159 PolarHBondContact O-N 3.33Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.41Å; E159-T162 PolarHBondContact O-N 3.48Å
160	K	70.3	Confident	82.4	Confident	154 Å²	154	100.8 Å²	100.8	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-66.5	-22.6	-177.4	-67	179.2	-175.7	176.2	0	114.2
161	E	62.1	Low	81.5	Confident	114 Å²	114	100.2 Å²	100.2	53%	0.533	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.6	179.9	-68.6	179.2	-159.1	0	0	113.1	N92 E159 Q163	N92-E161 VanDerWaalsContact ND2-CD 3.29Å; N92-E161 PolarHBondContact ND2-OE1 2.75Å; N92-E161 PolarHBondContact ND2-OE2 2.82Å; E159-E161 PolarHBondContact O-N 3.41Å; E161-Q163 VanDerWaalsContact C-N 3.31Å
162	T	59.8	Low	80.4	Confident	127 Å²	127	98.1 Å²	98.1	78%	0.779	50%	0.503	S	S	*	.			trans	-86.8	-7.2	-179.5	-41.9	0	0	0	0	112	L158 E159	L158-T162 PolarHBondContact O-OG1 3.22Å; E159-T162 PolarHBondContact O-N 3.48Å
163	Q	44.6	Very low	79.1	Confident	235 Å²	235	103.2 Å²	103.2	100%	1.098	52%	0.517	S	S	*	.			trans	-104.2	0	-173.7	-162.5	115.8	29.5	0	0	111.6	E161	E161-Q163 VanDerWaalsContact C-N 3.31Å

Retrieved 163 of 163 residues in 96.2 ms (Link to these results)

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