A0A096N552_PAPAN Loading...

DNA polymerase delta 4, accessory subunit

AlphaFold DB (A0A2K6LNW3), UniProt , Accession A0A096N552, Species PAPAN (Papio anubis, Olive baboon), Gene POLD4, Length 107 aa.

						>A0A096N552_PAPAN|A0A096N552|POLD4
MGRKRLITDSYPVVKRREGPAGHSKGELAPELGEEPQPRDEEEAELELLRQFDLAWQYGPCTGITRLQRWCRAKQMGLEPPPEVWEVLKTHPGDPRFQCSLWHLYPL
					

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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	56.1	Low	76.6	Confident	247 Å²	247	152.9 Å²	152.9	100%	1.217	76%	0.757	S	S	*	*				0	110.4	0	-74.8	-179.7	174.3	0	0	108.4
2	G	69.4	Low	76.7	Confident	81 Å²	81	149.3 Å²	149.3	84%	0.835	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-80.1	137	-177.8	0	0	0	0	0	111.8	K4	G2-K4 PolarHBondContact O-N 2.91Å
3	R	74.6	Confident	76.4	Confident	250 Å²	250	149.1 Å²	149.1	94%	0.943	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.2	123.2	172.1	-70.4	175.5	123.9	176.3	-1.5	108.6
4	K	79.9	Confident	76.5	Confident	194 Å²	194	147.1 Å²	147.1	84%	0.843	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.1	174.5	27.9	176.5	173.1	177	0	109.1	G2	G2-K4 PolarHBondContact O-N 2.91Å
5	R	79.9	Confident	76.1	Confident	195 Å²	195	150.1 Å²	150.1	74%	0.736	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.7	132.8	178.4	-63.3	178.5	67.9	-159.6	-0.9	109.6	D9	R5-D9 WeakPolarHBondContact CA-OD2 3.19Å
6	L	81.9	Confident	75.6	Confident	115 Å²	115	155.1 Å²	155.1	60%	0.602	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-86.3	156.1	175.5	-63.9	174.8	0	0	0	109.6	T8 D9	L6-T8 WeakPolarHBondContact CB-OG1 3.45Å; L6-T8 PolarHBondContact O-N 2.97Å; L6-T8 VanDerWaalsContact O-N 3.09Å; L6-D9 PolarHBondContact N-OD2 3.49Å; L6-D9 WeakPolarHBondContact O-CB 3.28Å; L6-D9 PolarHBondContact O-N 3.45Å
7	I	78.7	Confident	74.7	Confident	150 Å²	150	160.4 Å²	160.4	77%	0.769	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-55.4	-29.8	176.2	-65	165.2	0	0	0	110.9	D9	I7-D9 VanDerWaalsContact C-N 3.3Å; I7-D9 PolarHBondContact O-N 2.96Å
8	T	79.4	Confident	73.8	Confident	99 Å²	99	162.4 Å²	162.4	61%	0.607	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-71.5	-17.4	178.3	52.9	0	0	0	0	114.3	L6 S10	L6-T8 WeakPolarHBondContact CB-OG1 3.45Å; L6-T8 PolarHBondContact O-N 2.97Å; L6-T8 VanDerWaalsContact O-N 3.09Å; T8-S10 PolarHBondContact O-N 3.35Å
9	D	80.8	Confident	73	Confident	91 Å²	91	157.2 Å²	157.2	49%	0.487	78%	0.782	S	S	.	*	G	3₁₀ helix	trans	-75.2	-7.9	-178.4	-64.5	-26.6	0	0	0	113	R5 L6 I7	R5-D9 WeakPolarHBondContact CA-OD2 3.19Å; L6-D9 PolarHBondContact N-OD2 3.49Å; L6-D9 WeakPolarHBondContact O-CB 3.28Å; L6-D9 PolarHBondContact O-N 3.45Å; I7-D9 VanDerWaalsContact C-N 3.3Å; I7-D9 PolarHBondContact O-N 2.96Å
10	S	82.5	Confident	71.7	Confident	88 Å²	88	156.1 Å²	156.1	62%	0.615	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-91.9	-9.1	-178	-59	0	0	0	0	113.7	T8	T8-S10 PolarHBondContact O-N 3.35Å
11	Y	79.5	Confident	70.6	Confident	172 Å²	172	153.7 Å²	153.7	68%	0.675	79%	0.791	S	S	*	*	S	Bend	trans	-97.7	134.6	-177.3	-67	-85.3	0	0	0	111.2	V13	Y11-V13 PolarHBondContact O-N 3.46Å
12	P	78	Confident	70	Confident	109 Å²	109	145.6 Å²	145.6	71%	0.708	77%	0.771	S	S	*	*			trans	-69.8	126.6	177.6	28.2	-32.8	0	0	0	110.4	V14	P12-V14 PolarHBondContact O-N 3.25Å
13	V	72.9	Confident	68.8	Low	147 Å²	147	150.8 Å²	150.8	89%	0.891	77%	0.773	S	S	*	*			trans	-74.3	108.1	172.6	175.8	0	0	0	0	108.7	Y11	Y11-V13 PolarHBondContact O-N 3.46Å
14	V	77.7	Confident	67.2	Low	122 Å²	122	144.5 Å²	144.5	74%	0.739	77%	0.767	S	S	*	*			trans	-91.6	116.1	174.4	-172	0	0	0	0	109	P12 R16	P12-V14 PolarHBondContact O-N 3.25Å; V14-R16 PolarHBondContact O-N 3.21Å
15	K	70.5	Confident	65.7	Low	191 Å²	191	145 Å²	145	83%	0.83	77%	0.769	S	S	*	*			trans	-71.9	111.8	175.5	-170.9	171.8	-179.7	172.5	0	109.3	R17	K15-R17 PolarHBondContact O-N 3.5Å
16	R	67.8	Low	63.8	Low	230 Å²	230	138.9 Å²	138.9	87%	0.868	77%	0.768	S	S	*	*			trans	-62.7	127.5	170.8	-61.3	-173.4	89.1	162.6	4.9	108.2	V14	V14-R16 PolarHBondContact O-N 3.21Å
17	R	60.4	Low	62.4	Low	245 Å²	245	142.4 Å²	142.4	93%	0.925	78%	0.781	S	S	*	*			trans	-78.8	117.1	169.1	-69.4	-175.8	179	-173.1	-0.7	107.5	K15 G19	K15-R17 PolarHBondContact O-N 3.5Å; R17-G19 PolarHBondContact O-N 2.86Å
18	E	57.6	Low	60.8	Low	197 Å²	197	143.1 Å²	143.1	92%	0.921	79%	0.785	S	S	*	*			trans	-71	111.4	168.7	-69.4	174.7	121.5	0	0	108.1
19	G	58.4	Low	59.5	Low	63 Å²	63	142.2 Å²	142.2	65%	0.649	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-85.4	155	169	0	0	0	0	0	110.8	R17	R17-G19 PolarHBondContact O-N 2.86Å
20	P	48.5	Very low	58.2	Low	136 Å²	136	144.1 Å²	144.1	88%	0.883	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.7	-173.7	30.2	-33.9	0	0	0	112.9
21	A	48.2	Very low	56.8	Low	105 Å²	105	147.6 Å²	147.6	87%	0.868	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60.7	140.2	179.4	0	0	0	0	0	113.5
22	G	44	Very low	55.2	Low	77 Å²	77	146.9 Å²	146.9	79%	0.794	82%	0.819	S	S	*	*			trans	-137	112.9	171.8	0	0	0	0	0	111.1
23	H	43.5	Very low	54.1	Low	190 Å²	190	145.8 Å²	145.8	88%	0.88	83%	0.828	S	S	*	*			trans	-61.8	143.6	168.4	-85.8	-123.1	0	0	0	111.5
24	S	41.1	Very low	53.2	Low	118 Å²	118	147.2 Å²	147.2	83%	0.825	83%	0.825	S	S	*	*				-175.8	127.8	115.4	28.7	0	0	0	0	112.9
25	K	49.3	Very low	52.4	Low	204 Å²	204	149.6 Å²	149.6	89%	0.887	83%	0.828	S	S	*	*			trans	-43	132.3	161.8	-176.5	178.1	-179.9	-179.9	0	112
26	G	39.8	Very low	51.7	Low	68 Å²	68	144.1 Å²	144.1	70%	0.701	81%	0.811	S	S	*	*			trans	-161.7	66.9	173.5	0	0	0	0	0	109.8	L28	G26-L28 PolarHBondContact O-N 2.79Å
27	E	50.8	Low	51.1	Low	188 Å²	188	139.2 Å²	139.2	88%	0.879	80%	0.799	S	S	*	*			trans	-67.6	113.4	163.8	-157.9	175.6	115.1	0	0	106.5
28	L	47.1	Very low	51.1	Low	165 Å²	165	132.2 Å²	132.2	86%	0.864	79%	0.785	S	S	*	*			trans	-120.1	108.6	169.8	-84.4	167.4	0	0	0	107.1	G26	G26-L28 PolarHBondContact O-N 2.79Å
29	A	51.8	Low	51.5	Low	80 Å²	80	132.6 Å²	132.6	66%	0.661	78%	0.778	S	S	*	*			trans	-60.7	141.9	171.3	0	0	0	0	0	110.7
30	P	52	Low	52.6	Low	132 Å²	132	134.2 Å²	134.2	86%	0.857	77%	0.771	S	S	*	*			trans	-92.5	101.1	154.9	27.3	-13.4	0	0	0	108.1
31	E	54.8	Low	54.5	Low	160 Å²	160	132.6 Å²	132.6	75%	0.748	75%	0.752	S	S	*	*			trans	-94.5	146.3	155.5	-70.9	-76.3	137.2	0	0	107.8
32	L	45.3	Very low	56.6	Low	157 Å²	157	130.5 Å²	130.5	82%	0.822	72%	0.724	S	S	*	*	S	Bend	trans	94	115.4	162.9	-63.1	130.6	0	0	0	116.5	E34	L32-E34 PolarHBondContact O-N 2.92Å
33	G	54.9	Low	59	Low	86 Å²	86	132.8 Å²	132.8	89%	0.887	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-58.4	121.7	-176.2	0	0	0	0	0	112.6
34	E	53.4	Low	61.5	Low	178 Å²	178	126.7 Å²	126.7	83%	0.832	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-90.9	116.4	161.3	-63	-179	125.7	0	0	106.2	L32	L32-E34 PolarHBondContact O-N 2.92Å
35	E	62.1	Low	64.1	Low	171 Å²	171	123.5 Å²	123.5	80%	0.799	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-55.6	127	158.6	-78.4	-79.8	103.9	0	0	106.8	Q37	E35-Q37 PolarHBondContact O-N 3.2Å
36	P	54.2	Low	66.3	Low	76 Å²	76	115.4 Å²	115.4	49%	0.494	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-57.6	118.8	-172.3	20.7	-30.1	0	0	0	109.3	E41	P36-E41 HydrophobicContact CB-CG 4.12Å
37	Q	56.1	Low	69.1	Low	128 Å²	128	115.9 Å²	115.9	60%	0.598	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-64.5	139.8	168.5	-68.3	-75.9	-52.8	0	0	106.8	E35 R39 D40	E35-Q37 PolarHBondContact O-N 3.2Å; Q37-R39 PolarHBondContact O-N 3.3Å; Q37-D40 PolarHBondContact O-N 3.05Å
38	P	60.6	Low	71.3	Confident	97 Å²	97	109.3 Å²	109.3	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-58.1	-15.4	-178.1	21.5	-33.1	0	0	0	113.7	E42	P38-E42 PolarHBondContact O-N 3.21Å
39	R	64.8	Low	73.7	Confident	206 Å²	206	101.5 Å²	101.5	78%	0.777	55%	0.549	S	S	*	.	H	α-helix	trans	-75.2	-32.4	176.1	-165.6	169.2	-165.5	-109.4	-3.7	113.4	Q37 E43	Q37-R39 PolarHBondContact O-N 3.3Å; R39-E43 PolarHBondContact O-N 3.44Å
40	D	82.6	Confident	75.9	Confident	96 Å²	96	103.7 Å²	103.7	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-77.8	-32.5	-178.3	-59.4	-43	0	0	0	110.9	Q37 A44	Q37-D40 PolarHBondContact O-N 3.05Å; D40-A44 WeakPolarHBondContact O-CB 3.31Å; D40-A44 PolarHBondContact O-N 2.97Å
41	E	88.4	Confident	78.1	Confident	103 Å²	103	102.7 Å²	102.7	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-47.4	174.3	-61.2	-178.7	164.4	0	0	111.4	P36 E43 A44 E45	P36-E41 HydrophobicContact CB-CG 4.12Å; E41-E43 VanDerWaalsContact C-N 3.33Å; E41-E43 PolarHBondContact O-N 2.91Å; E41-A44 WeakPolarHBondContact O-CB 3.47Å; E41-A44 PolarHBondContact O-N 3.27Å; E41-E45 WeakPolarHBondContact O-CG 3.06Å; E41-E45 PolarHBondContact O-N 2.95Å
42	E	92.1	Very high	80.1	Confident	61 Å²	61	95.4 Å²	95.4	29%	0.285	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-42.1	178	-165.9	-170.8	154.7	0	0	111.7	P38 A44 E45 L46 R96 F97	P38-E42 PolarHBondContact O-N 3.21Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-E45 PolarHBondContact O-N 3.3Å; E42-L46 VanDerWaalsContact O-CG 3.31Å; E42-L46 WeakPolarHBondContact O-CG 3.45Å; E42-L46 PolarHBondContact O-N 2.92Å; E42-R96 IonicContact OE1-CZ 2.71Å; E42-R96 IonicContact OE1-NH1 2.83Å; E42-R96 PolarHBondContact OE1-NH1 3.48Å; E42-R96 IonicContact OE1-NH2 3.48Å; E42-R96 PolarHBondContact OE1-NH2 3.32Å; E42-F97 HydrophobicContact CG-CE2 4.46Å; E42-F97 HydrophobicContact CG-CZ 3.83Å
43	E	94.1	Very high	82.6	Confident	124 Å²	124	88.1 Å²	88.1	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-40.5	177	-171.5	67.3	-149.7	0	0	111.4	R39 E41 L46 E47	R39-E43 PolarHBondContact O-N 3.44Å; E41-E43 VanDerWaalsContact C-N 3.33Å; E41-E43 PolarHBondContact O-N 2.91Å; E43-L46 PolarHBondContact O-N 3.2Å; E43-E47 WeakPolarHBondContact O-CB 3.39Å; E43-E47 PolarHBondContact O-N 3.31Å
44	A	95.6	Very high	84.6	Confident	62 Å²	62	88.7 Å²	88.7	51%	0.512	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.1	0	0	0	0	0	112.3	D40 E41 E42 E47 L48	D40-A44 WeakPolarHBondContact O-CB 3.31Å; D40-A44 PolarHBondContact O-N 2.97Å; E41-A44 WeakPolarHBondContact O-CB 3.47Å; E41-A44 PolarHBondContact O-N 3.27Å; E42-A44 VanDerWaalsContact C-N 3.35Å; A44-E47 PolarHBondContact O-N 3.39Å; A44-L48 PolarHBondContact O-N 3.47Å
45	E	96.4	Very high	86.7	Confident	52 Å²	52	81 Å²	81	24%	0.243	40%	0.401	C	S	.	.	H	α-helix	trans	-62.9	-43.4	174.1	-71.5	-175.6	161.7	0	0	111.9	E41 E42 E47 L48 L49 V87 H91 F97	E41-E45 WeakPolarHBondContact O-CG 3.06Å; E41-E45 PolarHBondContact O-N 2.95Å; E42-E45 PolarHBondContact O-N 3.3Å; E45-E47 VanDerWaalsContact C-N 3.33Å; E45-E47 PolarHBondContact O-N 2.95Å; E45-L48 WeakPolarHBondContact O-CB 3.34Å; E45-L48 PolarHBondContact O-N 2.77Å; E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 3.22Å; E45-V87 HydrophobicContact CB-CG1 3.91Å; E45-V87 HydrophobicContact CB-CG2 4.23Å; E45-V87 HydrophobicContact CG-CG1 4.21Å; E45-V87 HydrophobicContact CG-CG2 3.82Å; E45-H91 IonicContact OE2-CD2 3.15Å; E45-H91 IonicContact OE2-CE1 2.71Å; E45-H91 IonicContact OE2-NE2 3.11Å; E45-H91 PolarHBondContact OE2-NE2 2.95Å; E45-F97 HydrophobicContact CB-CE1 4.1Å
46	L	96.5	Very high	88.3	Confident	34 Å²	34	83.4 Å²	83.4	18%	0.178	40%	0.403	C	S	.	.	H	α-helix	trans	-64.2	-38.8	176.7	-71.4	173.3	0	0	0	111.8	E42 E43 L49 R50 R96 F97	E42-L46 VanDerWaalsContact O-CG 3.31Å; E42-L46 WeakPolarHBondContact O-CG 3.45Å; E42-L46 PolarHBondContact O-N 2.92Å; E43-L46 PolarHBondContact O-N 3.2Å; L46-L49 PolarHBondContact O-N 3.31Å; L46-R50 WeakPolarHBondContact O-CB 3.46Å; L46-R50 PolarHBondContact O-N 3.28Å; L46-R96 HydrophobicContact CD2-CB 4.16Å; L46-F97 HydrophobicContact CD2-CD1 4.28Å; L46-F97 HydrophobicContact CD2-CD2 4.17Å; L46-F97 HydrophobicContact CD2-CE1 3.98Å; L46-F97 HydrophobicContact CD2-CE2 3.88Å; L46-F97 HydrophobicContact CD2-CG 4.37Å; L46-F97 HydrophobicContact CD2-CZ 3.77Å; L46-F97 HydrophobicContact CG-CE1 4.33Å; L46-F97 HydrophobicContact CG-CE2 4.46Å; L46-F97 HydrophobicContact CG-CZ 4Å
47	E	97.3	Very high	90.3	Very high	78 Å²	78	84.1 Å²	84.1	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-67.2	-39.3	176	-174.4	53.8	-147.5	0	0	111.7	E43 A44 E45 L49 R50 Q51	E43-E47 WeakPolarHBondContact O-CB 3.39Å; E43-E47 PolarHBondContact O-N 3.31Å; A44-E47 PolarHBondContact O-N 3.39Å; E45-E47 VanDerWaalsContact C-N 3.33Å; E45-E47 PolarHBondContact O-N 2.95Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.02Å; E47-R50 WeakPolarHBondContact O-CB 3.5Å; E47-R50 PolarHBondContact O-N 3.07Å; E47-R50 VanDerWaalsContact OE2-CD 3.28Å; E47-R50 WeakPolarHBondContact OE2-CD 3.33Å; E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3Å; E47-Q51 PolarHBondContact OE1-NE2 3.27Å
48	L	97.4	Very high	92.3	Very high	50 Å²	50	79.3 Å²	79.3	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-47.5	170.9	176.9	72.6	0	0	0	111.3	A44 E45 R50 Q51 F52 E83 V84 V87	A44-L48 PolarHBondContact O-N 3.47Å; E45-L48 WeakPolarHBondContact O-CB 3.34Å; E45-L48 PolarHBondContact O-N 2.77Å; L48-R50 VanDerWaalsContact C-N 3.32Å; L48-R50 PolarHBondContact O-N 3.37Å; L48-Q51 PolarHBondContact O-N 3.24Å; L48-F52 PolarHBondContact O-N 3.29Å; L48-E83 HydrophobicContact CD2-CB 3.82Å; L48-V84 HydrophobicContact CD2-CG2 4.26Å; L48-V84 HydrophobicContact CG-CG2 4.13Å; L48-V87 HydrophobicContact CD2-CG2 4.26Å
49	L	97.9	Very high	93.9	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-34.4	178.6	-65.5	178.4	0	0	0	112.4	E45 L46 E47 F52 D53 R66 V84 V87 L88 F97	E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 3.22Å; L46-L49 PolarHBondContact O-N 3.31Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.02Å; L49-F52 WeakPolarHBondContact O-CB 3.45Å; L49-F52 PolarHBondContact O-N 3.44Å; L49-D53 PolarHBondContact O-N 3.04Å; L49-R66 VanDerWaalsContact CD1-NH1 3.34Å; L49-V84 HydrophobicContact CD2-CB 4.47Å; L49-V84 HydrophobicContact CD2-CG1 3.82Å; L49-V87 HydrophobicContact CD1-CG1 3.86Å; L49-V87 HydrophobicContact CD2-CG1 4.35Å; L49-V87 HydrophobicContact CG-CG1 4.19Å; L49-L88 HydrophobicContact CD1-CD2 4.46Å; L49-L88 HydrophobicContact CD2-CD2 4.23Å; L49-L88 HydrophobicContact CD2-CG 4.21Å; L49-F97 HydrophobicContact CD1-CB 4.19Å; L49-F97 HydrophobicContact CD1-CD1 3.58Å; L49-F97 HydrophobicContact CD1-CE1 4.34Å; L49-F97 HydrophobicContact CD1-CG 4.22Å
50	R	97.6	Very high	95.3	Very high	126 Å²	126	70.2 Å²	70.2	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-46.7	173.5	-176	-176.2	-167.6	120.4	2.1	111.2	L46 E47 L48 F52 D53 L54 L101	L46-R50 WeakPolarHBondContact O-CB 3.46Å; L46-R50 PolarHBondContact O-N 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.5Å; E47-R50 PolarHBondContact O-N 3.07Å; E47-R50 VanDerWaalsContact OE2-CD 3.28Å; E47-R50 WeakPolarHBondContact OE2-CD 3.33Å; L48-R50 VanDerWaalsContact C-N 3.32Å; L48-R50 PolarHBondContact O-N 3.37Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 2.81Å; R50-D53 PolarHBondContact O-N 3.48Å; R50-L54 HydrophobicContact CG-CD1 4.37Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.39Å; R50-L54 VanDerWaalsContact O-N 3.11Å; R50-L101 HydrophobicContact CB-CD1 4.47Å; R50-L101 HydrophobicContact CB-CD2 4.28Å; R50-L101 HydrophobicContact CG-CD1 3.72Å; R50-L101 HydrophobicContact CG-CD2 3.88Å; R50-L101 HydrophobicContact CG-CG 4.36Å
51	Q	97.9	Very high	95.9	Very high	112 Å²	112	65.8 Å²	65.8	52%	0.523	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-41.6	176.5	-70.8	171.8	15.9	0	0	111.3	E47 L48 D53 L54 A55	E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3Å; E47-Q51 PolarHBondContact OE1-NE2 3.27Å; L48-Q51 PolarHBondContact O-N 3.24Å; Q51-D53 PolarHBondContact O-N 2.92Å; Q51-L54 PolarHBondContact O-N 3.22Å; Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 3.11Å
52	F	98	Very high	96.1	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-51	172.8	178.3	-112	0	0	0	110.8	L48 L49 R50 L54 A55 Y58 R69 W70 P80 V84	L48-F52 PolarHBondContact O-N 3.29Å; L49-F52 WeakPolarHBondContact O-CB 3.45Å; L49-F52 PolarHBondContact O-N 3.44Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 2.81Å; F52-L54 VanDerWaalsContact C-N 3.26Å; F52-L54 PolarHBondContact O-N 2.95Å; F52-A55 VanDerWaalsContact O-CB 3.29Å; F52-A55 WeakPolarHBondContact O-CB 3.3Å; F52-A55 PolarHBondContact O-N 3.21Å; F52-Y58 AromaticContact CD2-CD2 3.64Å; F52-Y58 HydrophobicContact CD2-CD2 3.64Å; F52-Y58 AromaticContact CD2-CE2 3.9Å; F52-Y58 HydrophobicContact CD2-CE2 3.9Å; F52-Y58 AromaticContact CE2-CD2 3.41Å; F52-Y58 HydrophobicContact CE2-CD2 3.41Å; F52-Y58 VanDerWaalsContact CE2-CD2 3.41Å; F52-Y58 AromaticContact CE2-CE2 3.95Å; F52-Y58 HydrophobicContact CE2-CE2 3.95Å; F52-Y58 AromaticContact CE2-CG 3.91Å; F52-Y58 HydrophobicContact CE2-CG 3.91Å; F52-Y58 HydrophobicContact CZ-CD2 4.48Å; F52-R69 HydrophobicContact CE1-CB 4.35Å; F52-R69 HydrophobicContact CE1-CG 4.25Å; F52-R69 HydrophobicContact CZ-CB 4.49Å; F52-R69 HydrophobicContact CZ-CG 4.14Å; F52-R69 PolarHBondContact O-NH1 3.46Å; F52-R69 PolarHBondContact O-NH2 3.25Å; F52-W70 HydrophobicContact CZ-CB 4.16Å; F52-P80 HydrophobicContact CE2-CB 4.26Å; F52-V84 HydrophobicContact CB-CG2 4Å; F52-V84 HydrophobicContact CD1-CG1 3.96Å; F52-V84 HydrophobicContact CD2-CG1 4.45Å; F52-V84 HydrophobicContact CD2-CG2 4.27Å; F52-V84 HydrophobicContact CE1-CG1 4.21Å; F52-V84 HydrophobicContact CG-CG1 4.08Å; F52-V84 HydrophobicContact CG-CG2 4.12Å
53	D	97.4	Very high	96.1	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-55.9	-35.7	178.8	-78	-17.9	0	0	0	113.9	L49 R50 Q51 R66 R69 S100 L101	L49-D53 PolarHBondContact O-N 3.04Å; R50-D53 PolarHBondContact O-N 3.48Å; Q51-D53 PolarHBondContact O-N 2.92Å; D53-R66 IonicContact OD1-NE 2.83Å; D53-R66 PolarHBondContact OD1-NE 3.37Å; D53-R66 IonicContact OD2-CZ 2.75Å; D53-R66 VanDerWaalsContact OD2-CZ 3.3Å; D53-R66 IonicContact OD2-NE 3.54Å; D53-R66 PolarHBondContact OD2-NE 3.06Å; D53-R66 IonicContact OD2-NH2 3.78Å; D53-R66 PolarHBondContact OD2-NH2 2.97Å; D53-R69 IonicContact OD1-NH1 2.91Å; D53-S100 WeakPolarHBondContact OD2-CA 3.36Å; D53-L101 HydrophobicContact CB-CD1 3.69Å; D53-L101 HydrophobicContact CB-CG 3.91Å; D53-L101 PolarHBondContact OD2-N 3.4Å
54	L	96.9	Very high	96.2	Very high	98 Å²	98	60.7 Å²	60.7	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-82.5	-16.6	178.6	-63.8	174.3	0	0	0	114	R50 Q51 F52 W56 L101 W102	R50-L54 HydrophobicContact CG-CD1 4.37Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 3.39Å; R50-L54 VanDerWaalsContact O-N 3.11Å; Q51-L54 PolarHBondContact O-N 3.22Å; F52-L54 VanDerWaalsContact C-N 3.26Å; F52-L54 PolarHBondContact O-N 2.95Å; L54-W56 PolarHBondContact O-N 3.45Å; L54-L101 HydrophobicContact CD2-CD1 4.17Å; L54-L101 HydrophobicContact CG-CD1 4.1Å; L54-W102 HydrophobicContact CD2-CH2 3.96Å; L54-W102 HydrophobicContact CD2-CZ2 3.93Å
55	A	96.9	Very high	96.2	Very high	18 Å²	18	60.2 Å²	60.2	15%	0.149	32%	0.317	C	S	.	.			trans	-70.5	101.1	-179.8	0	0	0	0	0	111.1	Q51 F52 Q57 Y58 R69	Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 3.11Å; F52-A55 VanDerWaalsContact O-CB 3.29Å; F52-A55 WeakPolarHBondContact O-CB 3.3Å; F52-A55 PolarHBondContact O-N 3.21Å; A55-Q57 PolarHBondContact O-N 3.1Å; A55-Y58 HydrophobicContact CB-CD2 3.77Å; A55-Y58 HydrophobicContact CB-CE2 3.87Å; A55-Y58 PolarHBondContact O-N 2.99Å; A55-R69 PolarHBondContact O-NH2 3.1Å
56	W	95.3	Very high	96.3	Very high	220 Å²	220	58.2 Å²	58.2	83%	0.833	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.5	-175.3	60.3	-91.5	0	0	0	113.6	L54 Y58 G59	L54-W56 PolarHBondContact O-N 3.45Å; W56-Y58 PolarHBondContact O-N 2.91Å; W56-G59 PolarHBondContact O-N 3.29Å
57	Q	96.9	Very high	96.3	Very high	91 Å²	91	58.9 Å²	58.9	43%	0.425	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.9	-28.4	-177.7	64.3	-94.5	45.1	0	0	113.3	A55 G59 L78	A55-Q57 PolarHBondContact O-N 3.1Å; Q57-G59 VanDerWaalsContact C-N 3.26Å; Q57-G59 PolarHBondContact O-N 3.23Å; Q57-L78 VanDerWaalsContact O-CD1 3.31Å; Q57-L78 WeakPolarHBondContact O-CD1 3.21Å
58	Y	97.2	Very high	96.3	Very high	27 Å²	27	60.4 Å²	60.4	11%	0.106	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-87.6	7.3	179.7	-51.9	-51.2	0	0	0	113.5	F52 A55 W56 R72 A73 L78 P80	F52-Y58 AromaticContact CD2-CD2 3.64Å; F52-Y58 HydrophobicContact CD2-CD2 3.64Å; F52-Y58 AromaticContact CD2-CE2 3.9Å; F52-Y58 HydrophobicContact CD2-CE2 3.9Å; F52-Y58 AromaticContact CE2-CD2 3.41Å; F52-Y58 HydrophobicContact CE2-CD2 3.41Å; F52-Y58 VanDerWaalsContact CE2-CD2 3.41Å; F52-Y58 AromaticContact CE2-CE2 3.95Å; F52-Y58 HydrophobicContact CE2-CE2 3.95Å; F52-Y58 AromaticContact CE2-CG 3.91Å; F52-Y58 HydrophobicContact CE2-CG 3.91Å; F52-Y58 HydrophobicContact CZ-CD2 4.48Å; A55-Y58 HydrophobicContact CB-CD2 3.77Å; A55-Y58 HydrophobicContact CB-CE2 3.87Å; A55-Y58 PolarHBondContact O-N 2.99Å; W56-Y58 PolarHBondContact O-N 2.91Å; Y58-R72 PolarHBondContact O-NH2 3.42Å; Y58-A73 HydrophobicContact CD1-CB 3.87Å; Y58-A73 HydrophobicContact CG-CB 4.22Å; Y58-L78 HydrophobicContact CD1-CB 4.01Å; Y58-L78 HydrophobicContact CE1-CB 4.28Å; Y58-L78 WeakPolarHBondContact CE1-O 3.45Å; Y58-P80 HydrophobicContact CD1-CB 4.33Å; Y58-P80 HydrophobicContact CE1-CB 4.18Å
59	G	94.6	Very high	96.4	Very high	26 Å²	26	58.2 Å²	58.2	27%	0.268	31%	0.306	S	S	.	.			trans	76.7	-176	-178.8	0	0	0	0	0	113.6	W56 Q57 R69	W56-G59 PolarHBondContact O-N 3.29Å; Q57-G59 VanDerWaalsContact C-N 3.26Å; Q57-G59 PolarHBondContact O-N 3.23Å; G59-R69 VanDerWaalsContact O-CZ 3.31Å; G59-R69 PolarHBondContact O-NE 2.75Å; G59-R69 PolarHBondContact O-NH2 3.35Å
60	P	95.3	Very high	96.4	Very high	86 Å²	86	59.7 Å²	59.7	56%	0.558	31%	0.312	S	S	*	.			trans	-65.6	138.8	-172.7	26.4	-34.6	0	0	0	112.2	R72	P60-R72 PolarHBondContact O-NH2 3.05Å
61	C	94.7	Very high	96.4	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.027	30%	0.302	C	S	.	.			trans	-102.6	-5.3	176.2	73.3	0	0	0	0	114.4	S100 W102	C61-S100 VanDerWaalsContact O-CB 3.23Å; C61-S100 WeakPolarHBondContact O-CB 3.34Å; C61-S100 PolarHBondContact O-OG 3.33Å; C61-W102 WeakPolarHBondContact SG-CZ3 3.14Å
62	T	93.1	Very high	96.4	Very high	59 Å²	59	54 Å²	54	36%	0.362	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	143.5	177	49.8	0	0	0	0	111	I64 W102 L107	T62-I64 VanDerWaalsContact C-N 3.25Å; T62-I64 PolarHBondContact O-N 3.02Å; T62-W102 HydrophobicContact CG2-CB 4.27Å; T62-W102 HydrophobicContact CG2-CD2 4.36Å; T62-W102 HydrophobicContact CG2-CE3 3.63Å; T62-W102 HydrophobicContact CG2-CZ3 4.38Å; T62-L107 HydrophobicContact CG2-CD1 4.37Å; T62-L107 HydrophobicContact CG2-CD2 4.33Å
63	G	92.2	Very high	96.4	Very high	73 Å²	73	53.8 Å²	53.8	75%	0.753	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	3.7	176.3	0	0	0	0	0	116.1
64	I	95.2	Very high	96.4	Very high	48 Å²	48	59 Å²	59	25%	0.246	31%	0.313	C	S	.	.	S	Bend	trans	-137.1	158.2	176.2	60.7	175.8	0	0	0	110.6	T62 Q68 R69	T62-I64 VanDerWaalsContact C-N 3.25Å; T62-I64 PolarHBondContact O-N 3.02Å; I64-Q68 HydrophobicContact CB-CB 4.26Å; I64-R69 HydrophobicContact CD1-CB 3.67Å; I64-R69 HydrophobicContact CD1-CG 4.15Å; I64-R69 HydrophobicContact CG1-CB 4.3Å
65	T	96.5	Very high	96.5	Very high	53 Å²	53	62.1 Å²	62.1	33%	0.325	33%	0.325	S	S	.	.			trans	-70.6	156.3	171.8	61.4	0	0	0	0	111.3	L67 Q68 R69	T65-L67 PolarHBondContact O-N 3.3Å; T65-Q68 PolarHBondContact O-N 3.25Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.35Å; T65-Q68 VanDerWaalsContact OG1-CD 3.27Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.23Å; T65-Q68 PolarHBondContact OG1-N 3.01Å; T65-Q68 PolarHBondContact OG1-OE1 2.81Å; T65-R69 PolarHBondContact O-N 2.85Å
66	R	97.4	Very high	96.5	Very high	10 Å²	10	67.2 Å²	67.2	4%	0.038	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-37.9	175.1	-68.5	-161.6	-178.6	125.6	-5.6	111.9	L49 D53 R69 W70 L88 R96 F97 Q98 C99	L49-R66 VanDerWaalsContact CD1-NH1 3.34Å; D53-R66 IonicContact OD1-NE 2.83Å; D53-R66 PolarHBondContact OD1-NE 3.37Å; D53-R66 IonicContact OD2-CZ 2.75Å; D53-R66 VanDerWaalsContact OD2-CZ 3.3Å; D53-R66 IonicContact OD2-NE 3.54Å; D53-R66 PolarHBondContact OD2-NE 3.06Å; D53-R66 IonicContact OD2-NH2 3.78Å; D53-R66 PolarHBondContact OD2-NH2 2.97Å; R66-R69 WeakPolarHBondContact O-CB 3.04Å; R66-R69 PolarHBondContact O-N 3.09Å; R66-W70 WeakPolarHBondContact O-CB 3.38Å; R66-W70 PolarHBondContact O-N 2.98Å; R66-L88 HydrophobicContact CB-CD1 3.86Å; R66-L88 HydrophobicContact CB-CD2 3.82Å; R66-L88 HydrophobicContact CB-CG 4.48Å; R66-R96 PolarHBondContact NH1-O 3.36Å; R66-F97 WeakPolarHBondContact CD-O 3.39Å; R66-F97 PolarHBondContact NH1-O 2.92Å; R66-Q98 PolarHBondContact N-O 3.43Å; R66-C99 PolarHBondContact NE-O 2.81Å; R66-C99 PolarHBondContact NH1-O 3.39Å; R66-C99 PolarHBondContact NH2-O 3.38Å
67	L	97.3	Very high	96.5	Very high	47 Å²	47	59.4 Å²	59.4	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177	-165.1	74	0	0	0	112.3	T65 R69 W70 C71 W85 L88	T65-L67 PolarHBondContact O-N 3.3Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.33Å; L67-W70 PolarHBondContact O-N 3.35Å; L67-C71 PolarHBondContact O-N 3.1Å; L67-C71 PolarHBondContact O-SG 3.43Å; L67-W85 HydrophobicContact CD1-CD2 4.29Å; L67-W85 HydrophobicContact CD1-CE3 3.42Å; L67-W85 VanDerWaalsContact CD1-CE3 3.42Å; L67-W85 HydrophobicContact CD1-CH2 3.85Å; L67-W85 HydrophobicContact CD1-CZ3 3.16Å; L67-W85 HydrophobicContact CG-CE3 4.49Å; L67-W85 HydrophobicContact CG-CH2 4.47Å; L67-W85 HydrophobicContact CG-CZ3 3.87Å; L67-L88 HydrophobicContact CB-CD1 4.39Å; L67-L88 HydrophobicContact CD1-CB 4.23Å; L67-L88 HydrophobicContact CD1-CD1 4.17Å
68	Q	97.3	Very high	96.5	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.2	-77	166	-37.3	0	0	111.4	I64 T65 C71 R72	I64-Q68 HydrophobicContact CB-CB 4.26Å; T65-Q68 PolarHBondContact O-N 3.25Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.35Å; T65-Q68 VanDerWaalsContact OG1-CD 3.27Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.23Å; T65-Q68 PolarHBondContact OG1-N 3.01Å; T65-Q68 PolarHBondContact OG1-OE1 2.81Å; Q68-C71 PolarHBondContact O-N 2.66Å; Q68-R72 WeakPolarHBondContact O-CB 3.33Å; Q68-R72 PolarHBondContact O-N 3Å
69	R	97.9	Very high	96.5	Very high	3 Å²	3	64.4 Å²	64.4	1%	0.011	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-44.7	176.8	-172.1	-178.8	-177.6	-136.3	2.5	112.1	F52 D53 A55 G59 I64 T65 R66 L67 R72 A73	F52-R69 HydrophobicContact CE1-CB 4.35Å; F52-R69 HydrophobicContact CE1-CG 4.25Å; F52-R69 HydrophobicContact CZ-CB 4.49Å; F52-R69 HydrophobicContact CZ-CG 4.14Å; F52-R69 PolarHBondContact O-NH1 3.46Å; F52-R69 PolarHBondContact O-NH2 3.25Å; D53-R69 IonicContact OD1-NH1 2.91Å; A55-R69 PolarHBondContact O-NH2 3.1Å; G59-R69 VanDerWaalsContact O-CZ 3.31Å; G59-R69 PolarHBondContact O-NE 2.75Å; G59-R69 PolarHBondContact O-NH2 3.35Å; I64-R69 HydrophobicContact CD1-CB 3.67Å; I64-R69 HydrophobicContact CD1-CG 4.15Å; I64-R69 HydrophobicContact CG1-CB 4.3Å; T65-R69 PolarHBondContact O-N 2.85Å; R66-R69 WeakPolarHBondContact O-CB 3.04Å; R66-R69 PolarHBondContact O-N 3.09Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.33Å; R69-R72 PolarHBondContact O-N 3.04Å; R69-A73 PolarHBondContact O-N 2.71Å
70	W	98.3	Very high	96.6	Very high	31 Å²	31	63.5 Å²	63.5	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-49.8	177.3	-169.4	101	0	0	0	111.2	F52 R66 L67 R72 A73 K74 P80 P81 W85	F52-W70 HydrophobicContact CZ-CB 4.16Å; R66-W70 WeakPolarHBondContact O-CB 3.38Å; R66-W70 PolarHBondContact O-N 2.98Å; L67-W70 PolarHBondContact O-N 3.35Å; W70-R72 VanDerWaalsContact C-N 3.28Å; W70-R72 PolarHBondContact O-N 2.95Å; W70-A73 PolarHBondContact O-N 3.28Å; W70-K74 HydrophobicContact CE3-CB 4.26Å; W70-K74 HydrophobicContact CH2-CB 4.37Å; W70-K74 HydrophobicContact CH2-CD 4.3Å; W70-K74 HydrophobicContact CH2-CG 4.19Å; W70-K74 HydrophobicContact CZ3-CB 3.97Å; W70-K74 HydrophobicContact CZ3-CG 4.1Å; W70-K74 PolarHBondContact O-N 3.41Å; W70-P80 HydrophobicContact CD2-CB 4.49Å; W70-P80 HydrophobicContact CD2-CG 3.98Å; W70-P80 HydrophobicContact CG-CB 4.28Å; W70-P80 HydrophobicContact CG-CG 4.21Å; W70-P80 HydrophobicContact CZ2-CG 4.09Å; W70-P81 PolarHBondContact NE1-O 3.03Å; W70-W85 HydrophobicContact CD2-CB 4.18Å; W70-W85 HydrophobicContact CD2-CD2 4.49Å; W70-W85 AromaticContact CD2-CE3 3.78Å; W70-W85 HydrophobicContact CD2-CE3 3.78Å; W70-W85 HydrophobicContact CE3-CD2 4.15Å; W70-W85 AromaticContact CE3-CE3 3.34Å; W70-W85 HydrophobicContact CE3-CE3 3.34Å; W70-W85 AromaticContact CE3-CZ3 3.78Å; W70-W85 HydrophobicContact CE3-CZ3 3.78Å; W70-W85 HydrophobicContact CG-CE3 4.4Å; W70-W85 HydrophobicContact CH2-CB 4.32Å; W70-W85 HydrophobicContact CH2-CD2 4.4Å; W70-W85 HydrophobicContact CH2-CE3 4.35Å; W70-W85 HydrophobicContact CH2-CG 4.4Å; W70-W85 HydrophobicContact CZ2-CB 3.82Å; W70-W85 HydrophobicContact CZ2-CG 4.38Å; W70-W85 HydrophobicContact CZ3-CD2 4.11Å; W70-W85 AromaticContact CZ3-CE3 3.67Å; W70-W85 HydrophobicContact CZ3-CE3 3.67Å; W70-W85 HydrophobicContact CZ3-CZ3 4.08Å
71	C	97.9	Very high	96.7	Very high	42 Å²	42	61.1 Å²	61.1	28%	0.284	34%	0.335	S	S	.	.	H	α-helix	trans	-57.7	-41	176.1	-76.4	0	0	0	0	112.2	L67 Q68 K74 Q75 W85	L67-C71 PolarHBondContact O-N 3.1Å; L67-C71 PolarHBondContact O-SG 3.43Å; Q68-C71 PolarHBondContact O-N 2.66Å; C71-K74 PolarHBondContact O-N 3.41Å; C71-Q75 WeakPolarHBondContact O-CB 3.42Å; C71-Q75 VanDerWaalsContact O-CG 3.28Å; C71-Q75 WeakPolarHBondContact O-CG 3.48Å; C71-Q75 PolarHBondContact O-N 2.83Å; C71-Q75 PolarHBondContact O-NE2 3.15Å; C71-W85 VanDerWaalsContact SG-CZ3 3.58Å
72	R	97.9	Very high	96.9	Very high	78 Å²	78	64.3 Å²	64.3	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-48	177.5	-175.2	-176.8	68.4	-162.1	-3.2	111.1	Y58 P60 Q68 R69 W70 K74 Q75 M76	Y58-R72 PolarHBondContact O-NH2 3.42Å; P60-R72 PolarHBondContact O-NH2 3.05Å; Q68-R72 WeakPolarHBondContact O-CB 3.33Å; Q68-R72 PolarHBondContact O-N 3Å; R69-R72 PolarHBondContact O-N 3.04Å; W70-R72 VanDerWaalsContact C-N 3.28Å; W70-R72 PolarHBondContact O-N 2.95Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.83Å; R72-Q75 PolarHBondContact O-N 3.19Å; R72-M76 HydrophobicContact CG-SD 4.13Å; R72-M76 WeakPolarHBondContact O-CG 3.17Å; R72-M76 PolarHBondContact O-N 3.5Å
73	A	98	Very high	97.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-41	177.3	0	0	0	0	0	111.9	Y58 R69 W70 M76 G77 L78 P80	Y58-A73 HydrophobicContact CD1-CB 3.87Å; Y58-A73 HydrophobicContact CG-CB 4.22Å; R69-A73 PolarHBondContact O-N 2.71Å; W70-A73 PolarHBondContact O-N 3.28Å; A73-M76 PolarHBondContact O-N 2.72Å; A73-G77 PolarHBondContact O-N 2.91Å; A73-L78 HydrophobicContact CB-CB 4.37Å; A73-L78 HydrophobicContact CB-CD1 4.39Å; A73-L78 WeakPolarHBondContact O-CB 3.12Å; A73-L78 PolarHBondContact O-N 2.88Å; A73-P80 HydrophobicContact CB-CB 4.05Å; A73-P80 HydrophobicContact CB-CG 3.96Å
74	K	97.9	Very high	97.3	Very high	113 Å²	113	62.5 Å²	62.5	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-43.7	175.9	-170.4	64.6	176.9	-178.3	0	112.3	W70 C71 R72 M76 G77 P80	W70-K74 HydrophobicContact CE3-CB 4.26Å; W70-K74 HydrophobicContact CH2-CB 4.37Å; W70-K74 HydrophobicContact CH2-CD 4.3Å; W70-K74 HydrophobicContact CH2-CG 4.19Å; W70-K74 HydrophobicContact CZ3-CB 3.97Å; W70-K74 HydrophobicContact CZ3-CG 4.1Å; W70-K74 PolarHBondContact O-N 3.41Å; C71-K74 PolarHBondContact O-N 3.41Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.83Å; K74-M76 PolarHBondContact O-N 2.75Å; K74-G77 PolarHBondContact O-N 2.83Å; K74-P80 HydrophobicContact CB-CG 4.02Å; K74-P80 HydrophobicContact CD-CG 4.44Å
75	Q	97.9	Very high	97.4	Very high	164 Å²	164	64 Å²	64	77%	0.766	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-32.2	175.2	-77.1	168.5	82.6	0	0	112.6	C71 R72 G77	C71-Q75 WeakPolarHBondContact O-CB 3.42Å; C71-Q75 VanDerWaalsContact O-CG 3.28Å; C71-Q75 WeakPolarHBondContact O-CG 3.48Å; C71-Q75 PolarHBondContact O-N 2.83Å; C71-Q75 PolarHBondContact O-NE2 3.15Å; R72-Q75 PolarHBondContact O-N 3.19Å; Q75-G77 PolarHBondContact O-N 2.71Å
76	M	96.7	Very high	97.5	Very high	125 Å²	125	67.2 Å²	67.2	62%	0.616	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.5	175.9	-66.9	177.6	69.2	0	0	113.6	R72 A73 K74 L78	R72-M76 HydrophobicContact CG-SD 4.13Å; R72-M76 WeakPolarHBondContact O-CG 3.17Å; R72-M76 PolarHBondContact O-N 3.5Å; A73-M76 PolarHBondContact O-N 2.72Å; K74-M76 PolarHBondContact O-N 2.75Å; M76-L78 VanDerWaalsContact C-N 3.29Å; M76-L78 HydrophobicContact CB-CD1 3.99Å; M76-L78 HydrophobicContact CB-CG 3.94Å; M76-L78 HydrophobicContact CE-CD1 4.36Å; M76-L78 PolarHBondContact O-N 3.22Å; M76-L78 HydrophobicContact SD-CD1 4.36Å
77	G	97	Very high	97.5	Very high	57 Å²	57	67.3 Å²	67.3	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	22.4	-179	0	0	0	0	0	114	A73 K74 Q75 E79	A73-G77 PolarHBondContact O-N 2.91Å; K74-G77 PolarHBondContact O-N 2.83Å; Q75-G77 PolarHBondContact O-N 2.71Å; G77-E79 VanDerWaalsContact C-N 3.25Å; G77-E79 PolarHBondContact O-N 3.46Å
78	L	96.6	Very high	97.4	Very high	68 Å²	68	65.2 Å²	65.2	36%	0.356	33%	0.329	S	S	.	.			trans	-83.8	2.3	-178.2	-62.7	171.7	0	0	0	113.8	Q57 Y58 A73 M76	Q57-L78 VanDerWaalsContact O-CD1 3.31Å; Q57-L78 WeakPolarHBondContact O-CD1 3.21Å; Y58-L78 HydrophobicContact CD1-CB 4.01Å; Y58-L78 HydrophobicContact CE1-CB 4.28Å; Y58-L78 WeakPolarHBondContact CE1-O 3.45Å; A73-L78 HydrophobicContact CB-CB 4.37Å; A73-L78 HydrophobicContact CB-CD1 4.39Å; A73-L78 WeakPolarHBondContact O-CB 3.12Å; A73-L78 PolarHBondContact O-N 2.88Å; M76-L78 VanDerWaalsContact C-N 3.29Å; M76-L78 HydrophobicContact CB-CD1 3.99Å; M76-L78 HydrophobicContact CB-CG 3.94Å; M76-L78 HydrophobicContact CE-CD1 4.36Å; M76-L78 PolarHBondContact O-N 3.22Å; M76-L78 HydrophobicContact SD-CD1 4.36Å
79	E	96.8	Very high	97.3	Very high	155 Å²	155	65.5 Å²	65.5	72%	0.724	33%	0.328	S	S	*	.			trans	49.9	58.5	177.4	-55.9	-168.3	113.8	0	0	114	G77	G77-E79 VanDerWaalsContact C-N 3.25Å; G77-E79 PolarHBondContact O-N 3.46Å
80	P	97.3	Very high	97.2	Very high	6 Å²	6	69.8 Å²	69.8	4%	0.039	36%	0.355	C	S	.	.			trans	-62.4	151.1	176.4	30.5	-37.2	0	0	0	111.3	F52 Y58 W70 A73 K74	F52-P80 HydrophobicContact CE2-CB 4.26Å; Y58-P80 HydrophobicContact CD1-CB 4.33Å; Y58-P80 HydrophobicContact CE1-CB 4.18Å; W70-P80 HydrophobicContact CD2-CB 4.49Å; W70-P80 HydrophobicContact CD2-CG 3.98Å; W70-P80 HydrophobicContact CG-CB 4.28Å; W70-P80 HydrophobicContact CG-CG 4.21Å; W70-P80 HydrophobicContact CZ2-CG 4.09Å; A73-P80 HydrophobicContact CB-CB 4.05Å; A73-P80 HydrophobicContact CB-CG 3.96Å; K74-P80 HydrophobicContact CB-CG 4.02Å; K74-P80 HydrophobicContact CD-CG 4.44Å
81	P	97.6	Very high	97	Very high	37 Å²	37	70.5 Å²	70.5	24%	0.24	36%	0.359	C	S	.	.			trans	-61.6	130.7	-174.9	-20.1	31.7	0	0	0	111.7	W70 E83 V84	W70-P81 PolarHBondContact NE1-O 3.03Å; P81-E83 VanDerWaalsContact C-N 3.27Å; P81-E83 VanDerWaalsContact CB-OE2 3.3Å; P81-E83 WeakPolarHBondContact CB-OE2 3.31Å; P81-E83 PolarHBondContact O-N 3.32Å; P81-V84 HydrophobicContact CB-CG2 4.16Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 PolarHBondContact O-N 3.02Å
82	P	97.3	Very high	96.7	Very high	70 Å²	70	73.7 Å²	73.7	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-28.8	179.6	26.5	-34.1	0	0	0	113	V84 W85 E86	P82-V84 PolarHBondContact O-N 2.97Å; P82-W85 WeakPolarHBondContact O-CA 3.4Å; P82-W85 VanDerWaalsContact O-CB 3.31Å; P82-W85 WeakPolarHBondContact O-CB 3.46Å; P82-W85 PolarHBondContact O-N 3.41Å; P82-E86 PolarHBondContact O-N 3.33Å; P82-E86 VanDerWaalsContact O-N 3.1Å
83	E	97.4	Very high	96.3	Very high	94 Å²	94	73.1 Å²	73.1	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-37.3	180	-57.2	75.8	-164.7	0	0	110.8	L48 P81 W85 E86 V87	L48-E83 HydrophobicContact CD2-CB 3.82Å; P81-E83 VanDerWaalsContact C-N 3.27Å; P81-E83 VanDerWaalsContact CB-OE2 3.3Å; P81-E83 WeakPolarHBondContact CB-OE2 3.31Å; P81-E83 PolarHBondContact O-N 3.32Å; E83-W85 VanDerWaalsContact C-N 3.27Å; E83-W85 PolarHBondContact O-N 3.44Å; E83-E86 PolarHBondContact O-N 2.96Å; E83-V87 WeakPolarHBondContact O-CG2 3.29Å; E83-V87 PolarHBondContact O-N 3.28Å
84	V	97.4	Very high	96.2	Very high	1 Å²	1	75 Å²	75	1%	0.006	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-41	174.5	171.1	0	0	0	0	110.9	L48 L49 F52 P81 P82 L88	L48-V84 HydrophobicContact CD2-CG2 4.26Å; L48-V84 HydrophobicContact CG-CG2 4.13Å; L49-V84 HydrophobicContact CD2-CB 4.47Å; L49-V84 HydrophobicContact CD2-CG1 3.82Å; F52-V84 HydrophobicContact CB-CG2 4Å; F52-V84 HydrophobicContact CD1-CG1 3.96Å; F52-V84 HydrophobicContact CD2-CG1 4.45Å; F52-V84 HydrophobicContact CD2-CG2 4.27Å; F52-V84 HydrophobicContact CE1-CG1 4.21Å; F52-V84 HydrophobicContact CG-CG1 4.08Å; F52-V84 HydrophobicContact CG-CG2 4.12Å; P81-V84 HydrophobicContact CB-CG2 4.16Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 PolarHBondContact O-N 3.02Å; P82-V84 PolarHBondContact O-N 2.97Å; V84-L88 HydrophobicContact CG1-CD1 3.94Å; V84-L88 HydrophobicContact CG1-CG 4.5Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CD1 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3.21Å; V84-L88 VanDerWaalsContact O-N 3.1Å
85	W	97.4	Very high	96	Very high	79 Å²	79	73 Å²	73	30%	0.299	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-42.2	178.8	175.5	-92.6	0	0	0	111.8	L67 W70 C71 P82 E83 L88 K89	L67-W85 HydrophobicContact CD1-CD2 4.29Å; L67-W85 HydrophobicContact CD1-CE3 3.42Å; L67-W85 VanDerWaalsContact CD1-CE3 3.42Å; L67-W85 HydrophobicContact CD1-CH2 3.85Å; L67-W85 HydrophobicContact CD1-CZ3 3.16Å; L67-W85 HydrophobicContact CG-CE3 4.49Å; L67-W85 HydrophobicContact CG-CH2 4.47Å; L67-W85 HydrophobicContact CG-CZ3 3.87Å; W70-W85 HydrophobicContact CD2-CB 4.18Å; W70-W85 HydrophobicContact CD2-CD2 4.49Å; W70-W85 AromaticContact CD2-CE3 3.78Å; W70-W85 HydrophobicContact CD2-CE3 3.78Å; W70-W85 HydrophobicContact CE3-CD2 4.15Å; W70-W85 AromaticContact CE3-CE3 3.34Å; W70-W85 HydrophobicContact CE3-CE3 3.34Å; W70-W85 AromaticContact CE3-CZ3 3.78Å; W70-W85 HydrophobicContact CE3-CZ3 3.78Å; W70-W85 HydrophobicContact CG-CE3 4.4Å; W70-W85 HydrophobicContact CH2-CB 4.32Å; W70-W85 HydrophobicContact CH2-CD2 4.4Å; W70-W85 HydrophobicContact CH2-CE3 4.35Å; W70-W85 HydrophobicContact CH2-CG 4.4Å; W70-W85 HydrophobicContact CZ2-CB 3.82Å; W70-W85 HydrophobicContact CZ2-CG 4.38Å; W70-W85 HydrophobicContact CZ3-CD2 4.11Å; W70-W85 AromaticContact CZ3-CE3 3.67Å; W70-W85 HydrophobicContact CZ3-CE3 3.67Å; W70-W85 HydrophobicContact CZ3-CZ3 4.08Å; C71-W85 VanDerWaalsContact SG-CZ3 3.58Å; P82-W85 WeakPolarHBondContact O-CA 3.4Å; P82-W85 VanDerWaalsContact O-CB 3.31Å; P82-W85 WeakPolarHBondContact O-CB 3.46Å; P82-W85 PolarHBondContact O-N 3.41Å; E83-W85 VanDerWaalsContact C-N 3.27Å; E83-W85 PolarHBondContact O-N 3.44Å; W85-L88 PolarHBondContact O-N 3.05Å; W85-K89 VanDerWaalsContact CE2-CE 3.49Å; W85-K89 HydrophobicContact CZ2-CD 4.49Å; W85-K89 WeakPolarHBondContact O-CG 3.29Å; W85-K89 PolarHBondContact O-N 3.47Å
86	E	97.4	Very high	95.9	Very high	120 Å²	120	71.1 Å²	71.1	56%	0.561	39%	0.393	S	S	*	.	H	α-helix	trans	-61.2	-50.8	178.7	-68.4	173.8	-179.6	0	0	111	P82 E83 L88 K89 T90	P82-E86 PolarHBondContact O-N 3.33Å; P82-E86 VanDerWaalsContact O-N 3.1Å; E83-E86 PolarHBondContact O-N 2.96Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.24Å; E86-K89 WeakPolarHBondContact O-CA 3.42Å; E86-K89 WeakPolarHBondContact O-CB 3.49Å; E86-K89 PolarHBondContact O-N 3.05Å; E86-T90 PolarHBondContact O-N 3.25Å; E86-T90 PolarHBondContact O-OG1 3.4Å; E86-T90 VanDerWaalsContact O-OG1 3.09Å
87	V	97.1	Very high	95.9	Very high	12 Å²	12	65.2 Å²	65.2	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-56.4	-45.2	176	172.1	0	0	0	0	111.2	E45 L48 L49 E83 K89 T90 H91 F97	E45-V87 HydrophobicContact CB-CG1 3.91Å; E45-V87 HydrophobicContact CB-CG2 4.23Å; E45-V87 HydrophobicContact CG-CG1 4.21Å; E45-V87 HydrophobicContact CG-CG2 3.82Å; L48-V87 HydrophobicContact CD2-CG2 4.26Å; L49-V87 HydrophobicContact CD1-CG1 3.86Å; L49-V87 HydrophobicContact CD2-CG1 4.35Å; L49-V87 HydrophobicContact CG-CG1 4.19Å; E83-V87 WeakPolarHBondContact O-CG2 3.29Å; E83-V87 PolarHBondContact O-N 3.28Å; V87-K89 PolarHBondContact O-N 3.11Å; V87-T90 PolarHBondContact O-N 3.5Å; V87-H91 PolarHBondContact O-CD2 3.49Å; V87-H91 VanDerWaalsContact O-CD2 3.3Å; V87-H91 PolarHBondContact O-N 3.32Å; V87-F97 HydrophobicContact CG1-CD1 3.71Å; V87-F97 HydrophobicContact CG1-CE1 3.9Å
88	L	96.7	Very high	95.9	Very high	4 Å²	4	64 Å²	64	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-25.6	178.1	-70.7	172.5	0	0	0	113.5	L49 R66 L67 V84 W85 E86 F97 Q98	L49-L88 HydrophobicContact CD1-CD2 4.46Å; L49-L88 HydrophobicContact CD2-CD2 4.23Å; L49-L88 HydrophobicContact CD2-CG 4.21Å; R66-L88 HydrophobicContact CB-CD1 3.86Å; R66-L88 HydrophobicContact CB-CD2 3.82Å; R66-L88 HydrophobicContact CB-CG 4.48Å; L67-L88 HydrophobicContact CB-CD1 4.39Å; L67-L88 HydrophobicContact CD1-CB 4.23Å; L67-L88 HydrophobicContact CD1-CD1 4.17Å; V84-L88 HydrophobicContact CG1-CD1 3.94Å; V84-L88 HydrophobicContact CG1-CG 4.5Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CD1 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3.21Å; V84-L88 VanDerWaalsContact O-N 3.1Å; W85-L88 PolarHBondContact O-N 3.05Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.24Å; L88-F97 WeakPolarHBondContact CD2-O 3.33Å; L88-Q98 PolarHBondContact O-NE2 3.4Å
89	K	95.8	Very high	95.9	Very high	117 Å²	117	62.6 Å²	62.6	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-81.5	-33.1	176.1	-73.3	-67.4	-178.7	-175.2	0	112.7	W85 E86 V87 H91	W85-K89 VanDerWaalsContact CE2-CE 3.49Å; W85-K89 HydrophobicContact CZ2-CD 4.49Å; W85-K89 WeakPolarHBondContact O-CG 3.29Å; W85-K89 PolarHBondContact O-N 3.47Å; E86-K89 WeakPolarHBondContact O-CA 3.42Å; E86-K89 WeakPolarHBondContact O-CB 3.49Å; E86-K89 PolarHBondContact O-N 3.05Å; V87-K89 PolarHBondContact O-N 3.11Å; K89-H91 VanDerWaalsContact C-N 3.29Å; K89-H91 PolarHBondContact O-N 3.07Å
90	T	95.6	Very high	95.8	Very high	93 Å²	93	55.5 Å²	55.5	57%	0.571	31%	0.305	S	S	*	.	H	α-helix	trans	-68.3	-29.6	177.7	-53.9	0	0	0	0	112.3	E86 V87 P92	E86-T90 PolarHBondContact O-N 3.25Å; E86-T90 PolarHBondContact O-OG1 3.4Å; E86-T90 VanDerWaalsContact O-OG1 3.09Å; V87-T90 PolarHBondContact O-N 3.5Å; T90-P92 WeakPolarHBondContact O-CD 3.49Å
91	H	93.5	Very high	95.7	Very high	46 Å²	46	57.7 Å²	57.7	21%	0.213	32%	0.316	C	S	.	.	S	Bend	trans	-114.1	63.2	-176	-60.8	-77.1	0	0	0	113.7	E45 V87 K89 G93 F97 Q98	E45-H91 IonicContact OE2-CD2 3.15Å; E45-H91 IonicContact OE2-CE1 2.71Å; E45-H91 IonicContact OE2-NE2 3.11Å; E45-H91 PolarHBondContact OE2-NE2 2.95Å; V87-H91 PolarHBondContact O-CD2 3.49Å; V87-H91 VanDerWaalsContact O-CD2 3.3Å; V87-H91 PolarHBondContact O-N 3.32Å; K89-H91 VanDerWaalsContact C-N 3.29Å; K89-H91 PolarHBondContact O-N 3.07Å; H91-G93 PolarHBondContact O-N 3.19Å; H91-F97 HydrophobicContact CB-CB 3.86Å; H91-F97 HydrophobicContact CB-CD1 3.91Å; H91-F97 HydrophobicContact CB-CD2 3.98Å; H91-F97 HydrophobicContact CB-CE1 4.49Å; H91-F97 HydrophobicContact CB-CG 3.63Å; H91-F97 AromaticContact CD2-CD1 3.37Å; H91-F97 WeakPolarHBondContact CD2-CD1 3.49Å; H91-F97 AromaticContact CD2-CE1 3.29Å; H91-F97 WeakPolarHBondContact CD2-CE1 3.3Å; H91-F97 AromaticContact CD2-CG 3.99Å; H91-F97 AromaticContact CD2-CZ 3.82Å; H91-F97 AromaticContact CE1-CZ 3.84Å; H91-F97 AromaticContact CG-CD1 3.71Å; H91-F97 AromaticContact CG-CE1 3.82Å; H91-F97 AromaticContact CG-CG 3.83Å; H91-F97 AromaticContact NE2-CE1 3.46Å; H91-F97 WeakPolarHBondContact NE2-CE1 3.43Å; H91-F97 AromaticContact NE2-CZ 3.69Å; H91-Q98 PolarHBondContact O-NE2 2.95Å
92	P	90.8	Very high	95.5	Very high	108 Å²	108	60.9 Å²	60.9	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	120.2	179.7	29.4	-33.6	0	0	0	110.5	T90	T90-P92 WeakPolarHBondContact O-CD 3.49Å
93	G	89.5	Confident	95.3	Very high	67 Å²	67	61.7 Å²	61.7	69%	0.691	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-4.5	171.3	0	0	0	0	0	116.6	H91 P95	H91-G93 PolarHBondContact O-N 3.19Å; G93-P95 VanDerWaalsContact O-CD 3.3Å; G93-P95 WeakPolarHBondContact O-CD 3.4Å
94	D	95.5	Very high	95	Very high	40 Å²	40	64 Å²	64	21%	0.214	34%	0.336	C	S	.	.			trans	-77.5	117.2	170.2	-172.2	-25.4	0	0	0	110	R96 F97 Q98	D94-R96 PolarHBondContact O-N 3.04Å; D94-R96 VanDerWaalsContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CG 3.46Å; D94-R96 PolarHBondContact OD1-N 2.92Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 2.98Å; D94-R96 IonicContact OD2-CZ 3.43Å; D94-R96 IonicContact OD2-NE 3.41Å; D94-R96 PolarHBondContact OD2-NE 3.37Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 3.8Å; D94-R96 PolarHBondContact OD2-NH2 2.94Å; D94-F97 HydrophobicContact CB-CD2 3.83Å; D94-F97 PolarHBondContact O-N 2.91Å; D94-F97 VanDerWaalsContact O-N 3.11Å; D94-Q98 WeakPolarHBondContact O-CB 3.28Å; D94-Q98 VanDerWaalsContact O-CG 3.31Å; D94-Q98 WeakPolarHBondContact O-CG 3.33Å; D94-Q98 PolarHBondContact O-N 3.33Å
95	P	95.1	Very high	94.6	Very high	71 Å²	71	71.3 Å²	71.3	46%	0.461	36%	0.364	S	S	.	.	H	α-helix	trans	-57.3	-32	178	-24.3	35.3	0	0	0	113.7	G93 F97 Q98 C99	G93-P95 VanDerWaalsContact O-CD 3.3Å; G93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-F97 PolarHBondContact O-N 2.86Å; P95-Q98 PolarHBondContact O-N 3.03Å; P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 3.09Å
96	R	95	Very high	94	Very high	124 Å²	124	73.7 Å²	73.7	47%	0.468	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-30.6	179.6	-61.9	-178.8	-62.6	149.8	3.3	112.2	E42 L46 R66 D94	E42-R96 IonicContact OE1-CZ 2.71Å; E42-R96 IonicContact OE1-NH1 2.83Å; E42-R96 PolarHBondContact OE1-NH1 3.48Å; E42-R96 IonicContact OE1-NH2 3.48Å; E42-R96 PolarHBondContact OE1-NH2 3.32Å; L46-R96 HydrophobicContact CD2-CB 4.16Å; R66-R96 PolarHBondContact NH1-O 3.36Å; D94-R96 PolarHBondContact O-N 3.04Å; D94-R96 VanDerWaalsContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CG 3.46Å; D94-R96 PolarHBondContact OD1-N 2.92Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 2.98Å; D94-R96 IonicContact OD2-CZ 3.43Å; D94-R96 IonicContact OD2-NE 3.41Å; D94-R96 PolarHBondContact OD2-NE 3.37Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 3.8Å; D94-R96 PolarHBondContact OD2-NH2 2.94Å
97	F	96.8	Very high	92.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-92.1	-43.5	178	-70.4	-96.7	0	0	0	111.3	E42 E45 L46 L49 R66 V87 L88 H91 D94 P95	E42-F97 HydrophobicContact CG-CE2 4.46Å; E42-F97 HydrophobicContact CG-CZ 3.83Å; E45-F97 HydrophobicContact CB-CE1 4.1Å; L46-F97 HydrophobicContact CD2-CD1 4.28Å; L46-F97 HydrophobicContact CD2-CD2 4.17Å; L46-F97 HydrophobicContact CD2-CE1 3.98Å; L46-F97 HydrophobicContact CD2-CE2 3.88Å; L46-F97 HydrophobicContact CD2-CG 4.37Å; L46-F97 HydrophobicContact CD2-CZ 3.77Å; L46-F97 HydrophobicContact CG-CE1 4.33Å; L46-F97 HydrophobicContact CG-CE2 4.46Å; L46-F97 HydrophobicContact CG-CZ 4Å; L49-F97 HydrophobicContact CD1-CB 4.19Å; L49-F97 HydrophobicContact CD1-CD1 3.58Å; L49-F97 HydrophobicContact CD1-CE1 4.34Å; L49-F97 HydrophobicContact CD1-CG 4.22Å; R66-F97 WeakPolarHBondContact CD-O 3.39Å; R66-F97 PolarHBondContact NH1-O 2.92Å; V87-F97 HydrophobicContact CG1-CD1 3.71Å; V87-F97 HydrophobicContact CG1-CE1 3.9Å; L88-F97 WeakPolarHBondContact CD2-O 3.33Å; H91-F97 HydrophobicContact CB-CB 3.86Å; H91-F97 HydrophobicContact CB-CD1 3.91Å; H91-F97 HydrophobicContact CB-CD2 3.98Å; H91-F97 HydrophobicContact CB-CE1 4.49Å; H91-F97 HydrophobicContact CB-CG 3.63Å; H91-F97 AromaticContact CD2-CD1 3.37Å; H91-F97 WeakPolarHBondContact CD2-CD1 3.49Å; H91-F97 AromaticContact CD2-CE1 3.29Å; H91-F97 WeakPolarHBondContact CD2-CE1 3.3Å; H91-F97 AromaticContact CD2-CG 3.99Å; H91-F97 AromaticContact CD2-CZ 3.82Å; H91-F97 AromaticContact CE1-CZ 3.84Å; H91-F97 AromaticContact CG-CD1 3.71Å; H91-F97 AromaticContact CG-CE1 3.82Å; H91-F97 AromaticContact CG-CG 3.83Å; H91-F97 AromaticContact NE2-CE1 3.46Å; H91-F97 WeakPolarHBondContact NE2-CE1 3.43Å; H91-F97 AromaticContact NE2-CZ 3.69Å; D94-F97 HydrophobicContact CB-CD2 3.83Å; D94-F97 PolarHBondContact O-N 2.91Å; D94-F97 VanDerWaalsContact O-N 3.11Å; P95-F97 PolarHBondContact O-N 2.86Å
98	Q	96.8	Very high	92.6	Very high	32 Å²	32	80.1 Å²	80.1	15%	0.15	43%	0.426	C	S	.	.	H	α-helix	trans	-82	-29	-170.2	-61.8	-60.3	-29.5	0	0	114.3	R66 L88 H91 D94 P95	R66-Q98 PolarHBondContact N-O 3.43Å; L88-Q98 PolarHBondContact O-NE2 3.4Å; H91-Q98 PolarHBondContact O-NE2 2.95Å; D94-Q98 WeakPolarHBondContact O-CB 3.28Å; D94-Q98 VanDerWaalsContact O-CG 3.31Å; D94-Q98 WeakPolarHBondContact O-CG 3.33Å; D94-Q98 PolarHBondContact O-N 3.33Å; P95-Q98 PolarHBondContact O-N 3.03Å
99	C	96.5	Very high	92.4	Very high	39 Å²	39	84.1 Å²	84.1	26%	0.264	45%	0.448	S	S	.	.	S	Bend	trans	-99.7	154.8	-175.2	-61.1	0	0	0	0	111.9	R66 P95 H103	R66-C99 PolarHBondContact NE-O 2.81Å; R66-C99 PolarHBondContact NH1-O 3.39Å; R66-C99 PolarHBondContact NH2-O 3.38Å; P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 3.09Å; C99-H103 HydrophobicContact CB-CB 3.74Å; C99-H103 WeakPolarHBondContact CB-CD2 3.45Å
100	S	95.4	Very high	92.2	Very high	5 Å²	5	82.2 Å²	82.2	4%	0.035	44%	0.444	C	S	.	.			trans	-74	160	177.2	59.6	0	0	0	0	112.7	D53 C61 W102 H103	D53-S100 WeakPolarHBondContact OD2-CA 3.36Å; C61-S100 VanDerWaalsContact O-CB 3.23Å; C61-S100 WeakPolarHBondContact O-CB 3.34Å; C61-S100 PolarHBondContact O-OG 3.33Å; S100-W102 PolarHBondContact O-N 3.28Å; S100-H103 WeakPolarHBondContact O-CB 3.46Å; S100-H103 PolarHBondContact O-CD2 3.28Å; S100-H103 PolarHBondContact O-N 3.21Å
101	L	94.5	Very high	92	Very high	53 Å²	53	81.6 Å²	81.6	28%	0.277	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-28.7	179.1	-71.9	169.8	0	0	0	115.1	R50 D53 L54	R50-L101 HydrophobicContact CB-CD1 4.47Å; R50-L101 HydrophobicContact CB-CD2 4.28Å; R50-L101 HydrophobicContact CG-CD1 3.72Å; R50-L101 HydrophobicContact CG-CD2 3.88Å; R50-L101 HydrophobicContact CG-CG 4.36Å; D53-L101 HydrophobicContact CB-CD1 3.69Å; D53-L101 HydrophobicContact CB-CG 3.91Å; D53-L101 PolarHBondContact OD2-N 3.4Å; L54-L101 HydrophobicContact CD2-CD1 4.17Å; L54-L101 HydrophobicContact CG-CD1 4.1Å
102	W	93.4	Very high	91.9	Very high	103 Å²	103	83.8 Å²	83.8	39%	0.39	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	12	-174.6	-55.5	-66.8	0	0	0	114.1	L54 C61 T62 S100 L104 Y105	L54-W102 HydrophobicContact CD2-CH2 3.96Å; L54-W102 HydrophobicContact CD2-CZ2 3.93Å; C61-W102 WeakPolarHBondContact SG-CZ3 3.14Å; T62-W102 HydrophobicContact CG2-CB 4.27Å; T62-W102 HydrophobicContact CG2-CD2 4.36Å; T62-W102 HydrophobicContact CG2-CE3 3.63Å; T62-W102 HydrophobicContact CG2-CZ3 4.38Å; S100-W102 PolarHBondContact O-N 3.28Å; W102-L104 PolarHBondContact O-N 3.31Å; W102-Y105 HydrophobicContact CB-CD2 4.45Å; W102-Y105 PolarHBondContact O-N 3.37Å
103	H	92.6	Very high	92	Very high	88 Å²	88	82.2 Å²	82.2	41%	0.407	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	-175	77.5	66.7	0	0	0	114.6	C99 S100	C99-H103 HydrophobicContact CB-CB 3.74Å; C99-H103 WeakPolarHBondContact CB-CD2 3.45Å; S100-H103 WeakPolarHBondContact O-CB 3.46Å; S100-H103 PolarHBondContact O-CD2 3.28Å; S100-H103 PolarHBondContact O-N 3.21Å
104	L	92.1	Very high	92.2	Very high	141 Å²	141	83.3 Å²	83.3	74%	0.738	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.9	177.9	-66.5	177	0	0	0	113.5	W102	W102-L104 PolarHBondContact O-N 3.31Å
105	Y	89.9	Confident	91.9	Very high	156 Å²	156	86.6 Å²	86.6	61%	0.612	43%	0.431	S	S	*	.	S	Bend	trans	-94	133.7	-175.5	-65.8	-89.5	0	0	0	109.8	W102 L107	W102-Y105 HydrophobicContact CB-CD2 4.45Å; W102-Y105 PolarHBondContact O-N 3.37Å; Y105-L107 PolarHBondContact O-N 3.35Å
106	P	83.8	Confident	91.7	Very high	128 Å²	128	87.9 Å²	87.9	83%	0.831	43%	0.429	S	S	*	.			trans	-63.8	130.1	170.5	27.1	-31.5	0	0	0	109
107	L	73.3	Confident	91.4	Very high	186 Å²	186	84.6 Å²	84.6	97%	0.974	43%	0.425	S	S	*	.			trans	-98.1	0	176.5	-63.7	174.1	0	0	0	110.9	T62 Y105	T62-L107 HydrophobicContact CG2-CD1 4.37Å; T62-L107 HydrophobicContact CG2-CD2 4.33Å; Y105-L107 PolarHBondContact O-N 3.35Å

Retrieved 107 of 107 residues in 302.6 ms (Link to these results)

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