A0A096NYQ3_PAPAN Loading...

Histone H3-like centromeric protein A

Histone H3-like nucleosomal protein that is specifically found in centromeric nucleosomes. Replaces conventional H3 in the nucleosome core of centromeric chromatin that serves as an assembly site for the inner kinetochore. The presence of CENPA subtly modifies the nucleosome structure and the way DNA is wrapped around the nucleosome and gives rise to protruding DNA ends that are less well-ordered and rigid compared to nucleosomes containing histone H3. May serve as an epigenetic mark that propagates centromere identity through replication and cell division. Required for recruitment and assembly of kinetochore proteins, and as a consequence required for progress through mitosis, chromosome segregation and cytokinesis.

AlphaFold DB , UniProt , Accession A0A096NYQ3, Species PAPAN (Papio anubis, Olive baboon), Gene CENPA, Length 138 aa.

						>A0A096NYQ3_PAPAN|A0A096NYQ3|CENPA
MGPRRRSRKPEAPRRRSPSPTPGPSRRGPSLGPSSRQHGRRRQAWLKEIRKLQKSTHLLIRKYPFSRLAREICVKFTRGVDFNWQAQALLALQEAAEAFLVHLFEDAYLLTLHAGRVTLFPKDVQLARRIRGIEAGLG
					

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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	43.5	Very low	39.3	Very low	244 Å²	244	181.4 Å²	181.4	100%	1.202	88%	0.876	S	S	*	*				0	117	0	-72.4	-65.5	-172.6	0	0	108.3
2	G	35.8	Very low	39.8	Very low	73 Å²	73	173.9 Å²	173.9	75%	0.753	87%	0.867	S	S	*	*			trans	-75.7	-163.1	-177	0	0	0	0	0	114.3
3	P	48.9	Very low	40.1	Very low	114 Å²	114	170.6 Å²	170.6	74%	0.74	87%	0.865	S	S	*	*				-135.8	-177	-96.3	41	-25.6	0	0	0	114.9
4	R	37.4	Very low	40.6	Very low	235 Å²	235	175.8 Å²	175.8	89%	0.887	87%	0.869	S	S	*	*			trans	76.7	126.1	153.9	-66.4	171.8	179.2	-122.9	-1	119.7
5	R	39.5	Very low	40.8	Very low	255 Å²	255	179.1 Å²	179.1	96%	0.962	87%	0.868	S	S	*	*				-164.1	136.5	100.2	-117	175.8	166.1	-145.7	-0.4	113.1
6	R	36.5	Very low	40.8	Very low	214 Å²	214	183.1 Å²	183.1	81%	0.808	87%	0.871	S	S	*	*			trans	-72.2	152	176.9	-78.2	170.2	161.3	-161.3	-7.6	112
7	S	35.1	Very low	41.2	Very low	122 Å²	122	178.1 Å²	178.1	85%	0.853	86%	0.86	S	S	*	*			trans	-133.8	122.2	147.2	58.3	0	0	0	0	110.5
8	R	35.9	Very low	41.5	Very low	214 Å²	214	174.5 Å²	174.5	81%	0.808	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-79	134.2	-173.5	-69.5	163.5	161.6	165.6	-6.6	110.4
9	K	40.3	Very low	41.8	Very low	203 Å²	203	171.3 Å²	171.3	88%	0.883	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-87.3	130.6	156.4	-73.9	-177.5	175.8	-179.3	0	107.7
10	P	40.9	Very low	42.1	Very low	134 Å²	134	168.7 Å²	168.7	87%	0.87	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-83.9	127.6	172.8	22.8	-14	0	0	0	110.8
11	E	38.5	Very low	42.5	Very low	187 Å²	187	166.9 Å²	166.9	87%	0.874	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-79.8	133.7	175.1	-172.6	170.8	169.1	0	0	109.8
12	A	45.4	Very low	42.7	Very low	92 Å²	92	161.4 Å²	161.4	76%	0.76	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76	126.1	-179.3	0	0	0	0	0	110.9
13	P	44.1	Very low	43.3	Very low	131 Å²	131	160.6 Å²	160.6	85%	0.851	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.8	136.9	-177.4	26.4	-22.3	0	0	0	112.9
14	R	46.8	Very low	43.4	Very low	243 Å²	243	161.6 Å²	161.6	92%	0.917	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-55.2	144.5	177.9	-79.6	171.1	161.2	-147.5	-1.8	115.1
15	R	44.1	Very low	44	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	82%	0.818	S	S	*	*			trans	-7.9	128.1	150.3	-136.2	173.3	-170.5	-112.1	4	117.1
16	R	40.6	Very low	44.6	Very low	243 Å²	243	155 Å²	155	92%	0.917	82%	0.817	S	S	*	*			trans	-134	124	153.9	-76	-174.3	-178.5	-148.2	-0.2	109.2
17	S	46.4	Very low	45.2	Very low	98 Å²	98	156.2 Å²	156.2	69%	0.685	82%	0.821	S	S	*	*			trans	-94.6	138.7	161.1	-46.5	0	0	0	0	108
18	P	47	Very low	46.3	Very low	113 Å²	113	153 Å²	153	73%	0.734	81%	0.808	S	S	*	*				-145.8	133.1	125.1	31.8	-13.2	0	0	0	114.2
19	S	46.8	Very low	47	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	81%	0.808	S	S	*	*				89.1	150.9	120	73.1	0	0	0	0	117.1
20	P	49.1	Very low	47.5	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	80%	0.804	S	S	*	*			trans	-90.8	157.2	-148.1	35.7	-34.1	0	0	0	115.2
21	T	49.8	Very low	48.3	Very low	130 Å²	130	146.4 Å²	146.4	80%	0.798	81%	0.806	S	S	*	*			trans	-36.4	139.1	174.6	25.7	0	0	0	0	117.4
22	P	47.3	Very low	49	Very low	130 Å²	130	139.8 Å²	139.8	84%	0.844	79%	0.787	S	S	*	*			trans	-84.4	109.4	148.7	8.3	9.9	0	0	0	109.3
23	G	49.8	Very low	49.5	Very low	56 Å²	56	140.8 Å²	140.8	58%	0.577	79%	0.786	S	S	*	*			trans	-65.8	162.8	168.6	0	0	0	0	0	112.1	S25	G23-S25 PolarHBondContact O-N 2.89Å; G23-S25 VanDerWaalsContact O-N 3.08Å
24	P	49.2	Very low	50.1	Low	134 Å²	134	139.2 Å²	139.2	87%	0.87	78%	0.778	S	S	*	*			trans	-62.6	115.4	176.3	26.3	-32.1	0	0	0	109.2	R26	P24-R26 PolarHBondContact O-N 2.98Å
25	S	50.3	Low	50.6	Low	108 Å²	108	132.5 Å²	132.5	76%	0.755	77%	0.768	S	S	*	*			trans	-54.3	109.7	174.5	-177.8	0	0	0	0	109.4	G23 R27	G23-S25 PolarHBondContact O-N 2.89Å; G23-S25 VanDerWaalsContact O-N 3.08Å; S25-R27 VanDerWaalsContact C-N 3.32Å; S25-R27 PolarHBondContact O-N 3.08Å
26	R	51.9	Low	51.1	Low	244 Å²	244	131.9 Å²	131.9	92%	0.921	77%	0.766	S	S	*	*			trans	-57.9	96.5	165.1	-105.1	178.7	164	-165.5	-2.9	107.3	P24 G28	P24-R26 PolarHBondContact O-N 2.98Å; R26-G28 PolarHBondContact O-N 2.98Å
27	R	50.9	Low	51.9	Low	239 Å²	239	127.9 Å²	127.9	90%	0.902	76%	0.758	S	S	*	*			trans	-65	102.1	161.7	-67.2	-175.7	-167.9	-163	3.1	106.5	S25	S25-R27 VanDerWaalsContact C-N 3.32Å; S25-R27 PolarHBondContact O-N 3.08Å
28	G	56.4	Low	52.5	Low	56 Å²	56	130.4 Å²	130.4	58%	0.577	76%	0.759	S	S	*	*			trans	-55.7	150	165.5	0	0	0	0	0	109.6	R26 S30	R26-G28 PolarHBondContact O-N 2.98Å; G28-S30 PolarHBondContact O-N 3.01Å
29	P	50.7	Low	53	Low	125 Å²	125	126.6 Å²	126.6	81%	0.812	74%	0.739	S	S	*	*			trans	-60	113	177.7	24.7	-31.8	0	0	0	108.7	L31	P29-L31 PolarHBondContact O-N 2.84Å
30	S	51.5	Low	53.6	Low	114 Å²	114	131 Å²	131	80%	0.797	74%	0.739	S	S	*	*			trans	-61.7	103.1	168.3	56.9	0	0	0	0	107.5	G28 G32	G28-S30 PolarHBondContact O-N 3.01Å; S30-G32 VanDerWaalsContact C-N 3.25Å; S30-G32 PolarHBondContact O-N 2.94Å
31	L	58.4	Low	54.1	Low	173 Å²	173	135.4 Å²	135.4	91%	0.906	74%	0.74	S	S	*	*			trans	-61.6	93.1	166.5	-73.6	164.3	0	0	0	107.4	P29	P29-L31 PolarHBondContact O-N 2.84Å
32	G	53.2	Low	54.5	Low	47 Å²	47	137.5 Å²	137.5	49%	0.485	73%	0.733	S	S	.	*			trans	-61.9	156.3	176.8	0	0	0	0	0	111.7	S30 S34	S30-G32 VanDerWaalsContact C-N 3.25Å; S30-G32 PolarHBondContact O-N 2.94Å; G32-S34 PolarHBondContact O-N 3.3Å
33	P	54.9	Low	55.4	Low	113 Å²	113	136.3 Å²	136.3	73%	0.734	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	14.5	-175.9	30.2	-35.1	0	0	0	114.9	S35 R36	P33-S35 VanDerWaalsContact C-N 3.31Å; P33-S35 PolarHBondContact O-N 3.29Å; P33-R36 PolarHBondContact O-N 2.9Å
34	S	56.4	Low	57.1	Low	98 Å²	98	136.4 Å²	136.4	69%	0.685	71%	0.711	S	S	*	*	H	α-helix	trans	-65	-28.4	-172.9	179.4	0	0	0	0	114.1	G32 R36	G32-S34 PolarHBondContact O-N 3.3Å; S34-R36 PolarHBondContact O-N 3.38Å
35	S	57.7	Low	59.1	Low	102 Å²	102	136 Å²	136	71%	0.713	69%	0.693	S	S	*	*	H	α-helix	trans	-66.1	-32.5	-178	171.8	0	0	0	0	114.1	P33 Q37 H38 G39	P33-S35 VanDerWaalsContact C-N 3.31Å; P33-S35 PolarHBondContact O-N 3.29Å; S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact O-N 2.71Å; S35-H38 PolarHBondContact O-N 3.35Å; S35-G39 PolarHBondContact O-N 3.1Å
36	R	54.8	Low	61.1	Low	213 Å²	213	133.8 Å²	133.8	80%	0.804	67%	0.672	S	S	*	*	H	α-helix	trans	-68.9	-31.8	-174.7	-71.4	-178.7	-177.1	168.2	1.3	113.2	P33 S34 R40	P33-R36 PolarHBondContact O-N 2.9Å; S34-R36 PolarHBondContact O-N 3.38Å; R36-R40 PolarHBondContact O-N 2.76Å
37	Q	57.9	Low	63.1	Low	160 Å²	160	128.4 Å²	128.4	75%	0.748	66%	0.655	S	S	*	*	H	α-helix	trans	-72.1	-36	-177.9	-162.7	170.7	5.9	0	0	111.6	S35 R41	S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact O-N 2.71Å; Q37-R41 PolarHBondContact O-N 3.12Å
38	H	58.1	Low	65.1	Low	151 Å²	151	122.8 Å²	122.8	70%	0.699	64%	0.639	S	S	*	*	H	α-helix	trans	-71	-38.8	179.9	-148.4	89.2	0	0	0	112.3	S35 R40 R42	S35-H38 PolarHBondContact O-N 3.35Å; H38-R40 PolarHBondContact O-N 2.92Å; H38-R42 PolarHBondContact O-N 3.27Å
39	G	57.7	Low	67	Low	32 Å²	32	123.5 Å²	123.5	33%	0.33	63%	0.629	S	S	.	*	H	α-helix	trans	-63.8	-38.3	174.8	0	0	0	0	0	113.5	S35 R41 Q43	S35-G39 PolarHBondContact O-N 3.1Å; G39-R41 PolarHBondContact O-N 3.26Å; G39-Q43 WeakPolarHBondContact O-CG 3.42Å; G39-Q43 PolarHBondContact O-N 3.38Å
40	R	60.6	Low	69.1	Low	208 Å²	208	125.7 Å²	125.7	79%	0.785	62%	0.621	S	S	*	*	H	α-helix	trans	-67.2	-36.5	-177.7	-158.4	175.5	-176.4	-178.2	0.9	112.7	R36 H38	R36-R40 PolarHBondContact O-N 2.76Å; H38-R40 PolarHBondContact O-N 2.92Å
41	R	59.3	Low	71.2	Confident	211 Å²	211	127.5 Å²	127.5	80%	0.796	62%	0.615	S	S	*	*	H	α-helix	trans	-73	-42.2	178.4	-132.8	179.8	-165	174.4	4	112.1	Q37 G39 Q43 A44	Q37-R41 PolarHBondContact O-N 3.12Å; G39-R41 PolarHBondContact O-N 3.26Å; R41-Q43 PolarHBondContact O-N 2.88Å; R41-A44 WeakPolarHBondContact O-CB 3.25Å; R41-A44 PolarHBondContact O-N 3.43Å; R41-A44 VanDerWaalsContact O-N 3.08Å
42	R	57.6	Low	73	Confident	173 Å²	173	122.4 Å²	122.4	65%	0.653	59%	0.588	S	S	*	*	H	α-helix	trans	-64.2	-28.2	176.6	-155.9	178.4	-168.7	-145.2	3.3	112.4	H38 W45	H38-R42 PolarHBondContact O-N 3.27Å; R42-W45 HydrophobicContact CG-CZ2 4.29Å; R42-W45 PolarHBondContact O-NE1 3.33Å
43	Q	67.1	Low	75.1	Confident	106 Å²	106	127.1 Å²	127.1	50%	0.495	60%	0.597	S	S	.	*	H	α-helix	trans	-75.3	-20.2	174.4	-73.1	173.7	16.5	0	0	114	G39 R41 K47	G39-Q43 WeakPolarHBondContact O-CG 3.42Å; G39-Q43 PolarHBondContact O-N 3.38Å; R41-Q43 PolarHBondContact O-N 2.88Å; Q43-K47 VanDerWaalsContact O-CD 3.29Å; Q43-K47 WeakPolarHBondContact O-CD 3.31Å; Q43-K47 WeakPolarHBondContact O-CG 3.41Å; Q43-K47 PolarHBondContact O-N 2.96Å
44	A	85.4	Confident	77.1	Confident	57 Å²	57	130.9 Å²	130.9	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-75.9	-52.8	-173.8	0	0	0	0	0	112.2	R41 L46 K47 E48	R41-A44 WeakPolarHBondContact O-CB 3.25Å; R41-A44 PolarHBondContact O-N 3.43Å; R41-A44 VanDerWaalsContact O-N 3.08Å; A44-L46 PolarHBondContact O-N 3.49Å; A44-K47 PolarHBondContact O-N 3.38Å; A44-E48 PolarHBondContact O-N 3.47Å; A44-E48 VanDerWaalsContact O-N 3.08Å
45	W	89.6	Confident	79	Confident	126 Å²	126	128.1 Å²	128.1	48%	0.477	58%	0.583	S	S	.	*	H	α-helix	trans	-66.9	-35.5	-178.7	65.3	-95	0	0	0	112.5	R42 K47 E48 I49	R42-W45 HydrophobicContact CG-CZ2 4.29Å; R42-W45 PolarHBondContact O-NE1 3.33Å; W45-K47 VanDerWaalsContact C-N 3.33Å; W45-K47 PolarHBondContact O-N 3.41Å; W45-E48 WeakPolarHBondContact O-CB 3.39Å; W45-E48 PolarHBondContact O-N 3.49Å; W45-I49 HydrophobicContact CE3-CD1 3.48Å; W45-I49 VanDerWaalsContact CE3-CD1 3.48Å; W45-I49 HydrophobicContact CE3-CG1 4.44Å; W45-I49 HydrophobicContact CZ3-CD1 3.66Å; W45-I49 WeakPolarHBondContact O-CG1 3.08Å; W45-I49 PolarHBondContact O-N 3.31Å
46	L	93	Very high	80.9	Confident	62 Å²	62	130.3 Å²	130.3	33%	0.325	59%	0.592	S	S	.	*	H	α-helix	trans	-63.9	-37.6	175	-79.1	171.8	0	0	0	112.5	A44 E48 R50	A44-L46 PolarHBondContact O-N 3.49Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-R50 VanDerWaalsContact O-CG 3.31Å; L46-R50 WeakPolarHBondContact O-CG 3.06Å; L46-R50 PolarHBondContact O-N 3.16Å
47	K	93.3	Very high	82.8	Confident	131 Å²	131	125.2 Å²	125.2	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-68	-39.5	175.2	-74.2	171.6	-172.5	-179.7	0	110.8	Q43 A44 W45 K51	Q43-K47 VanDerWaalsContact O-CD 3.29Å; Q43-K47 WeakPolarHBondContact O-CD 3.31Å; Q43-K47 WeakPolarHBondContact O-CG 3.41Å; Q43-K47 PolarHBondContact O-N 2.96Å; A44-K47 PolarHBondContact O-N 3.38Å; W45-K47 VanDerWaalsContact C-N 3.33Å; W45-K47 PolarHBondContact O-N 3.41Å; K47-K51 VanDerWaalsContact O-CB 3.31Å; K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 PolarHBondContact O-N 3.45Å
48	E	94.6	Very high	84.7	Confident	120 Å²	120	119.9 Å²	119.9	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-48.2	177.8	-173.1	167.8	-158.9	0	0	111.9	A44 W45 L46 R50 K51 L52	A44-E48 PolarHBondContact O-N 3.47Å; A44-E48 VanDerWaalsContact O-N 3.08Å; W45-E48 WeakPolarHBondContact O-CB 3.39Å; W45-E48 PolarHBondContact O-N 3.49Å; L46-E48 VanDerWaalsContact C-N 3.35Å; E48-R50 PolarHBondContact O-N 3.29Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 VanDerWaalsContact O-N 3.15Å; E48-L52 HydrophobicContact CG-CD1 3.84Å; E48-L52 HydrophobicContact CG-CG 4.33Å; E48-L52 WeakPolarHBondContact O-CB 3.24Å; E48-L52 WeakPolarHBondContact O-CG 3.44Å; E48-L52 PolarHBondContact O-N 2.91Å
49	I	94.9	Very high	86.5	Confident	72 Å²	72	117.3 Å²	117.3	37%	0.369	55%	0.545	S	S	.	.	H	α-helix	trans	-54.5	-52.2	175.2	-70	176.4	0	0	0	110.7	W45 K51 L52 Q53	W45-I49 HydrophobicContact CE3-CD1 3.48Å; W45-I49 VanDerWaalsContact CE3-CD1 3.48Å; W45-I49 HydrophobicContact CE3-CG1 4.44Å; W45-I49 HydrophobicContact CZ3-CD1 3.66Å; W45-I49 WeakPolarHBondContact O-CG1 3.08Å; W45-I49 PolarHBondContact O-N 3.31Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 2.97Å; I49-L52 PolarHBondContact O-N 3.31Å; I49-Q53 HydrophobicContact CG2-CG 4.29Å; I49-Q53 WeakPolarHBondContact O-CB 3.38Å; I49-Q53 WeakPolarHBondContact O-CG 3.31Å; I49-Q53 PolarHBondContact O-N 2.96Å
50	R	95.6	Very high	88.4	Confident	170 Å²	170	119.1 Å²	119.1	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-61.2	-38.4	180	-68.5	179	-148.3	-178.1	1.7	112.5	L46 E48 K54	L46-R50 VanDerWaalsContact O-CG 3.31Å; L46-R50 WeakPolarHBondContact O-CG 3.06Å; L46-R50 PolarHBondContact O-N 3.16Å; E48-R50 PolarHBondContact O-N 3.29Å; R50-K54 WeakPolarHBondContact O-CB 3.32Å; R50-K54 PolarHBondContact O-N 2.91Å
51	K	95.8	Very high	90.2	Very high	152 Å²	152	118.9 Å²	118.9	66%	0.661	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-48.5	178.1	-179.5	-174.1	173.2	-171.7	0	110.8	K47 E48 I49 K54 S55	K47-K51 VanDerWaalsContact O-CB 3.31Å; K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 PolarHBondContact O-N 3.45Å; E48-K51 PolarHBondContact O-N 3.2Å; E48-K51 VanDerWaalsContact O-N 3.15Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 3.02Å; K51-S55 PolarHBondContact O-N 3.5Å; K51-S55 PolarHBondContact O-OG 3.39Å
52	L	96.6	Very high	91.9	Very high	66 Å²	66	114.9 Å²	114.9	35%	0.346	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-45.4	-177.5	-70.6	173.5	0	0	0	111.3	E48 I49 K54 S55 L59	E48-L52 HydrophobicContact CG-CD1 3.84Å; E48-L52 HydrophobicContact CG-CG 4.33Å; E48-L52 WeakPolarHBondContact O-CB 3.24Å; E48-L52 WeakPolarHBondContact O-CG 3.44Å; E48-L52 PolarHBondContact O-N 2.91Å; I49-L52 PolarHBondContact O-N 3.31Å; L52-K54 PolarHBondContact O-N 3.43Å; L52-S55 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-OG 2.93Å; L52-L59 HydrophobicContact CD2-CD2 3.84Å
53	Q	96.6	Very high	93.8	Very high	146 Å²	146	114.4 Å²	114.4	68%	0.682	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-27.3	177.1	-72.4	178.6	-30.7	0	0	113.7	I49	I49-Q53 HydrophobicContact CG2-CG 4.29Å; I49-Q53 WeakPolarHBondContact O-CB 3.38Å; I49-Q53 WeakPolarHBondContact O-CG 3.31Å; I49-Q53 PolarHBondContact O-N 2.96Å
54	K	97.3	Very high	95.2	Very high	192 Å²	192	112.9 Å²	112.9	84%	0.835	53%	0.532	S	S	*	.	H	α-helix	trans	-79.4	-21.2	175.6	-177	171.2	179.9	178.5	0	112.8	R50 K51 L52	R50-K54 WeakPolarHBondContact O-CB 3.32Å; R50-K54 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 3.02Å; L52-K54 PolarHBondContact O-N 3.43Å
55	S	96.4	Very high	95.8	Very high	41 Å²	41	111.4 Å²	111.4	29%	0.287	52%	0.515	S	S	.	.			trans	-102	156.9	-173.3	72.2	0	0	0	0	111.8	K51 L52 H57	K51-S55 PolarHBondContact O-N 3.5Å; K51-S55 PolarHBondContact O-OG 3.39Å; L52-S55 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-OG 2.93Å; S55-H57 WeakPolarHBondContact CB-ND1 3.43Å; S55-H57 PolarHBondContact OG-CE1 2.97Å; S55-H57 PolarHBondContact OG-ND1 3.06Å; S55-H57 VanDerWaalsContact OG-ND1 3.07Å
56	T	96	Very high	96.1	Very high	148 Å²	148	106.5 Å²	106.5	91%	0.908	50%	0.5	S	S	*	.			trans	-124.7	17.2	-177.4	54.9	0	0	0	0	112.9
57	H	95.9	Very high	96.3	Very high	106 Å²	106	111.1 Å²	111.1	49%	0.491	51%	0.513	S	S	.	.	S	Bend	trans	-78.3	146.5	178.8	65	-73.4	0	0	0	110.6	S55 L59	S55-H57 WeakPolarHBondContact CB-ND1 3.43Å; S55-H57 PolarHBondContact OG-CE1 2.97Å; S55-H57 PolarHBondContact OG-ND1 3.06Å; S55-H57 VanDerWaalsContact OG-ND1 3.07Å; H57-L59 PolarHBondContact O-N 3.36Å
58	L	96.6	Very high	96.5	Very high	47 Å²	47	109.1 Å²	109.1	25%	0.246	51%	0.508	C	S	.	.			trans	-61.5	132.3	173.6	-64.5	172.7	0	0	0	110.8	L90 Q93 E94 E97	L58-L90 HydrophobicContact CD1-CD2 4.15Å; L58-Q93 HydrophobicContact CD1-CG 4.29Å; L58-Q93 HydrophobicContact CD2-CG 4.23Å; L58-E94 HydrophobicContact CD2-CG 3.91Å; L58-E97 WeakPolarHBondContact CA-OE2 3.48Å
59	L	97	Very high	96.6	Very high	98 Å²	98	104 Å²	104	51%	0.513	49%	0.486	S	S	.	.			trans	-89.4	-33.6	-174.9	-56.8	-178.1	0	0	0	111.7	L52 H57 E97	L52-L59 HydrophobicContact CD2-CD2 3.84Å; H57-L59 PolarHBondContact O-N 3.36Å; L59-E97 PolarHBondContact N-OE1 3.14Å; L59-E97 PolarHBondContact N-OE2 3.41Å
60	I	96.9	Very high	96.6	Very high	69 Å²	69	105.1 Å²	105.1	35%	0.354	49%	0.486	S	S	.	.	S	Bend	trans	-81.4	138	178.2	-56.2	174.8	0	0	0	109.1	K62 F65 Q93 E97	I60-K62 PolarHBondContact O-N 3.35Å; I60-F65 HydrophobicContact CG2-CB 4.11Å; I60-Q93 PolarHBondContact O-NE2 3.29Å; I60-E97 VanDerWaalsContact CB-OE1 3.26Å; I60-E97 WeakPolarHBondContact CB-OE1 3.48Å; I60-E97 HydrophobicContact CD1-CG 3.86Å; I60-E97 HydrophobicContact CG1-CG 4.09Å; I60-E97 WeakPolarHBondContact CG1-OE1 3.36Å; I60-E97 PolarHBondContact N-OE1 3.32Å
61	R	97.9	Very high	96.5	Very high	204 Å²	204	102.2 Å²	102.2	77%	0.77	48%	0.48	S	S	*	.			trans	-65.5	129.5	175.7	-64.1	-64.1	-171.2	170.2	1.4	109.8	Y63 P64 F65	R61-Y63 PolarHBondContact O-N 2.92Å; R61-P64 HydrophobicContact CB-CG 4.03Å; R61-P64 WeakPolarHBondContact O-CD 3.43Å; R61-F65 PolarHBondContact O-N 3.13Å
62	K	95.9	Very high	96.5	Very high	126 Å²	126	98.7 Å²	98.7	55%	0.548	47%	0.467	S	S	.	.	H	α-helix	trans	-57.4	-40.8	-175.6	-64	-175.3	174.5	-174.3	0	114.1	I60 S66 L90	I60-K62 PolarHBondContact O-N 3.35Å; K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 3.13Å; K62-L90 HydrophobicContact CD-CD2 4.23Å
63	Y	96.3	Very high	96.4	Very high	163 Å²	163	96.7 Å²	96.7	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-68.9	-50.4	-175.8	179.8	-98.6	0	0	0	113.3	R61 F65 S66 R67	R61-Y63 PolarHBondContact O-N 2.92Å; Y63-F65 VanDerWaalsContact C-N 3.32Å; Y63-F65 PolarHBondContact O-N 3.29Å; Y63-S66 PolarHBondContact O-N 3.17Å; Y63-R67 HydrophobicContact CE1-CG 4.2Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 PolarHBondContact O-N 3.08Å
64	P	97.7	Very high	96.3	Very high	75 Å²	75	92.3 Å²	92.3	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-55.4	-43.2	170.9	-28.2	34.9	0	0	0	113.8	R61 R67 L68	R61-P64 HydrophobicContact CB-CG 4.03Å; R61-P64 WeakPolarHBondContact O-CD 3.43Å; P64-R67 PolarHBondContact O-N 3.4Å; P64-L68 PolarHBondContact O-N 3.47Å
65	F	97.9	Very high	96.1	Very high	25 Å²	25	90 Å²	90	11%	0.11	43%	0.432	C	S	.	.	H	α-helix	trans	-62.4	-45.2	178	-176.5	-93.9	0	0	0	112	I60 R61 Y63 R67 L68 A69 L92 Q93 A96	I60-F65 HydrophobicContact CG2-CB 4.11Å; R61-F65 PolarHBondContact O-N 3.13Å; Y63-F65 VanDerWaalsContact C-N 3.32Å; Y63-F65 PolarHBondContact O-N 3.29Å; F65-R67 VanDerWaalsContact C-N 3.35Å; F65-R67 PolarHBondContact O-N 3.31Å; F65-L68 PolarHBondContact O-N 3.18Å; F65-A69 PolarHBondContact O-N 2.92Å; F65-L92 HydrophobicContact CE1-CB 4.25Å; F65-L92 HydrophobicContact CE1-CD2 3.93Å; F65-L92 HydrophobicContact CE1-CG 4.26Å; F65-L92 HydrophobicContact CZ-CB 4.37Å; F65-L92 HydrophobicContact CZ-CD2 3.89Å; F65-L92 HydrophobicContact CZ-CG 4.01Å; F65-Q93 HydrophobicContact CD1-CB 3.77Å; F65-Q93 HydrophobicContact CD1-CG 3.92Å; F65-Q93 HydrophobicContact CD2-CG 4.2Å; F65-Q93 HydrophobicContact CE1-CB 3.49Å; F65-Q93 VanDerWaalsContact CE1-CB 3.49Å; F65-Q93 HydrophobicContact CE1-CG 4.01Å; F65-Q93 HydrophobicContact CE2-CB 4.44Å; F65-Q93 HydrophobicContact CE2-CG 4.27Å; F65-Q93 HydrophobicContact CG-CB 4.38Å; F65-Q93 HydrophobicContact CG-CG 4.02Å; F65-Q93 VanDerWaalsContact CZ-CA 3.45Å; F65-Q93 HydrophobicContact CZ-CB 3.86Å; F65-Q93 HydrophobicContact CZ-CG 4.18Å; F65-A96 HydrophobicContact CE2-CB 4.1Å; F65-A96 HydrophobicContact CZ-CB 4.25Å
66	S	96.6	Very high	96	Very high	24 Å²	24	96 Å²	96	17%	0.168	45%	0.453	C	S	.	.	H	α-helix	trans	-59.9	-42.2	176.1	177.3	0	0	0	0	112.4	K62 Y63 A69 R70	K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.49Å; K62-S66 PolarHBondContact O-N 3.13Å; Y63-S66 PolarHBondContact O-N 3.17Å; S66-A69 PolarHBondContact O-N 3.37Å; S66-R70 WeakPolarHBondContact O-CG 3.22Å; S66-R70 PolarHBondContact O-N 3.18Å; S66-R70 VanDerWaalsContact O-N 3.11Å
67	R	96.6	Very high	95.7	Very high	158 Å²	158	90 Å²	90	60%	0.596	42%	0.416	S	S	*	.	H	α-helix	trans	-61.4	-45.5	174.9	-75.9	-170.5	62.3	179.2	-2.4	111.8	Y63 P64 F65 R70 E71	Y63-R67 HydrophobicContact CE1-CG 4.2Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 PolarHBondContact O-N 3.08Å; P64-R67 PolarHBondContact O-N 3.4Å; F65-R67 VanDerWaalsContact C-N 3.35Å; F65-R67 PolarHBondContact O-N 3.31Å; R67-R70 PolarHBondContact O-N 2.78Å; R67-E71 WeakPolarHBondContact O-CB 3.29Å; R67-E71 PolarHBondContact O-N 2.98Å
68	L	97.1	Very high	95.4	Very high	89 Å²	89	96.7 Å²	96.7	47%	0.466	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-46	178.2	178.8	64.2	0	0	0	111.8	P64 F65 R70 E71 I72	P64-L68 PolarHBondContact O-N 3.47Å; F65-L68 PolarHBondContact O-N 3.18Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 3Å; L68-E71 PolarHBondContact O-N 2.89Å; L68-I72 HydrophobicContact CD1-CD1 3.94Å; L68-I72 HydrophobicContact CD1-CG1 4.25Å; L68-I72 HydrophobicContact CG-CD1 3.93Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.2Å
69	A	96.1	Very high	94.7	Very high	12 Å²	12	97 Å²	97	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-59.5	-42.7	179.1	0	0	0	0	0	111.8	F65 S66 C73 L89 L92	F65-A69 PolarHBondContact O-N 2.92Å; S66-A69 PolarHBondContact O-N 3.37Å; A69-C73 WeakPolarHBondContact O-CB 3.44Å; A69-C73 PolarHBondContact O-N 3.07Å; A69-L89 HydrophobicContact CB-CD2 4.05Å; A69-L92 HydrophobicContact CB-CD2 3.92Å
70	R	94.9	Very high	94.4	Very high	97 Å²	97	96.3 Å²	96.3	37%	0.366	45%	0.451	S	S	.	.	H	α-helix	trans	-67	-43.9	176.3	-69.5	171.5	-176	-86.9	4.9	112.2	S66 R67 L68 I72 C73 V74	S66-R70 WeakPolarHBondContact O-CG 3.22Å; S66-R70 PolarHBondContact O-N 3.18Å; S66-R70 VanDerWaalsContact O-N 3.11Å; R67-R70 PolarHBondContact O-N 2.78Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 3Å; R70-I72 VanDerWaalsContact C-N 3.32Å; R70-I72 PolarHBondContact O-N 3.3Å; R70-C73 WeakPolarHBondContact O-CB 3.42Å; R70-C73 PolarHBondContact O-N 3.44Å; R70-V74 WeakPolarHBondContact O-CG2 3.29Å; R70-V74 PolarHBondContact O-N 3.5Å
71	E	94.8	Very high	93.9	Very high	109 Å²	109	99.3 Å²	99.3	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-43.6	177.1	-172.3	-164.2	140.6	0	0	111.7	R67 L68 K75	R67-E71 WeakPolarHBondContact O-CB 3.29Å; R67-E71 PolarHBondContact O-N 2.98Å; L68-E71 PolarHBondContact O-N 2.89Å; E71-K75 IonicContact OE1-NZ 2.71Å
72	I	94.8	Very high	93.7	Very high	77 Å²	77	95.2 Å²	95.2	40%	0.395	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-44	176.3	-67.5	170.5	0	0	0	110.4	L68 R70 V74 K75 F76	L68-I72 HydrophobicContact CD1-CD1 3.94Å; L68-I72 HydrophobicContact CD1-CG1 4.25Å; L68-I72 HydrophobicContact CG-CD1 3.93Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.2Å; R70-I72 VanDerWaalsContact C-N 3.32Å; R70-I72 PolarHBondContact O-N 3.3Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 3.11Å; I72-K75 WeakPolarHBondContact O-CB 3.41Å; I72-K75 PolarHBondContact O-N 2.75Å; I72-K75 VanDerWaalsContact O-N 3.12Å; I72-F76 HydrophobicContact CG2-CD2 4.35Å; I72-F76 HydrophobicContact CG2-CE2 3.78Å; I72-F76 WeakPolarHBondContact O-CD2 3.5Å
73	C	95.1	Very high	93.6	Very high	25 Å²	25	97 Å²	97	17%	0.169	47%	0.472	C	S	.	.	H	α-helix	trans	-55.8	-46	178.7	-171	0	0	0	0	112	A69 R70 K75 F76 T77 W84	A69-C73 WeakPolarHBondContact O-CB 3.44Å; A69-C73 PolarHBondContact O-N 3.07Å; R70-C73 WeakPolarHBondContact O-CB 3.42Å; R70-C73 PolarHBondContact O-N 3.44Å; C73-K75 PolarHBondContact O-N 3.15Å; C73-K75 VanDerWaalsContact O-N 3.13Å; C73-F76 PolarHBondContact O-N 3.08Å; C73-T77 WeakPolarHBondContact O-CG2 3.47Å; C73-T77 PolarHBondContact O-N 3.44Å; C73-T77 PolarHBondContact O-OG1 3.23Å; C73-W84 HydrophobicContact CB-CZ2 3.82Å
74	V	94.5	Very high	93.6	Very high	53 Å²	53	92.8 Å²	92.8	32%	0.321	45%	0.454	S	S	.	.	H	α-helix	trans	-56.4	-32.5	179.4	171.4	0	0	0	0	112.8	R70 I72 F76 T77	R70-V74 WeakPolarHBondContact O-CG2 3.29Å; R70-V74 PolarHBondContact O-N 3.5Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 3.11Å; V74-F76 PolarHBondContact O-N 2.99Å; V74-T77 WeakPolarHBondContact CA-OG1 3.48Å; V74-T77 PolarHBondContact O-N 2.65Å
75	K	93.7	Very high	93.6	Very high	145 Å²	145	96.4 Å²	96.4	63%	0.63	47%	0.465	S	S	*	.	H	α-helix	trans	-63.8	-26.5	177.4	-62.1	177.1	-174.8	174.3	0	112.7	E71 I72 C73	E71-K75 IonicContact OE1-NZ 2.71Å; I72-K75 WeakPolarHBondContact O-CB 3.41Å; I72-K75 PolarHBondContact O-N 2.75Å; I72-K75 VanDerWaalsContact O-N 3.12Å; C73-K75 PolarHBondContact O-N 3.15Å; C73-K75 VanDerWaalsContact O-N 3.13Å
76	F	93.3	Very high	93.5	Very high	165 Å²	165	98.8 Å²	98.8	72%	0.724	49%	0.489	S	S	*	.	H	α-helix	trans	-97.7	-18.6	180	-62.4	-76	0	0	0	113.3	I72 C73 V74	I72-F76 HydrophobicContact CG2-CD2 4.35Å; I72-F76 HydrophobicContact CG2-CE2 3.78Å; I72-F76 WeakPolarHBondContact O-CD2 3.5Å; C73-F76 PolarHBondContact O-N 3.08Å; V74-F76 PolarHBondContact O-N 2.99Å
77	T	90.9	Very high	93.5	Very high	23 Å²	23	104 Å²	104	14%	0.141	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	13.8	-170.8	61.5	0	0	0	0	113.4	C73 V74 G79 V80 F82	C73-T77 WeakPolarHBondContact O-CG2 3.47Å; C73-T77 PolarHBondContact O-N 3.44Å; C73-T77 PolarHBondContact O-OG1 3.23Å; V74-T77 WeakPolarHBondContact CA-OG1 3.48Å; V74-T77 PolarHBondContact O-N 2.65Å; T77-G79 PolarHBondContact O-N 2.9Å; T77-G79 VanDerWaalsContact O-N 3.16Å; T77-V80 WeakPolarHBondContact CB-O 3.49Å; T77-V80 WeakPolarHBondContact O-CB 3.03Å; T77-V80 WeakPolarHBondContact O-CG2 3.38Å; T77-V80 PolarHBondContact O-N 3.23Å; T77-V80 PolarHBondContact OG1-O 3.23Å; T77-F82 HydrophobicContact CG2-CD2 3.52Å; T77-F82 HydrophobicContact CG2-CE2 3.24Å; T77-F82 HydrophobicContact CG2-CZ 4.35Å
78	R	88.1	Confident	93.5	Very high	247 Å²	247	98.4 Å²	98.4	93%	0.932	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	35.3	175.1	-52.2	171.9	89.8	138.4	1.3	112.4
79	G	82.6	Confident	93.5	Very high	53 Å²	53	95.2 Å²	95.2	55%	0.546	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	7.1	-179.4	0	0	0	0	0	115.3	T77	T77-G79 PolarHBondContact O-N 2.9Å; T77-G79 VanDerWaalsContact O-N 3.16Å
80	V	90.2	Very high	93.5	Very high	83 Å²	83	96.7 Å²	96.7	50%	0.503	49%	0.488	S	S	.	.			trans	-83.7	121.1	172.4	-179	0	0	0	0	110.2	T77 F82	T77-V80 WeakPolarHBondContact CB-O 3.49Å; T77-V80 WeakPolarHBondContact O-CB 3.03Å; T77-V80 WeakPolarHBondContact O-CG2 3.38Å; T77-V80 PolarHBondContact O-N 3.23Å; T77-V80 PolarHBondContact OG1-O 3.23Å; V80-F82 HydrophobicContact CG1-CE1 4.45Å; V80-F82 PolarHBondContact O-N 3.44Å
81	D	87.8	Confident	93.7	Very high	132 Å²	132	94.7 Å²	94.7	71%	0.706	49%	0.492	S	S	*	.			trans	-81.2	107.4	176.2	-71	-35	0	0	0	111.1
82	F	93.5	Very high	93.8	Very high	119 Å²	119	93.2 Å²	93.2	52%	0.522	49%	0.487	S	S	.	.			trans	-79.6	144.1	173.7	-76	-53.4	0	0	0	112.9	T77 V80 W84	T77-F82 HydrophobicContact CG2-CD2 3.52Å; T77-F82 HydrophobicContact CG2-CE2 3.24Å; T77-F82 HydrophobicContact CG2-CZ 4.35Å; V80-F82 HydrophobicContact CG1-CE1 4.45Å; V80-F82 PolarHBondContact O-N 3.44Å; F82-W84 VanDerWaalsContact O-CD1 3.29Å
83	N	94.2	Very high	93.9	Very high	163 Å²	163	89.7 Å²	89.7	87%	0.872	47%	0.469	S	S	*	.			trans	-77.1	129.3	167.6	-68.5	-44.3	0	0	0	109.7
84	W	95.9	Very high	94	Very high	74 Å²	74	94.1 Å²	94.1	28%	0.28	49%	0.487	S	S	.	.			trans	-105.5	130.2	178.8	-73.2	72.2	0	0	0	110.4	C73 F82 A88 L89	C73-W84 HydrophobicContact CB-CZ2 3.82Å; F82-W84 VanDerWaalsContact O-CD1 3.29Å; W84-A88 HydrophobicContact CE3-CB 4.38Å; W84-L89 HydrophobicContact CB-CD1 4Å; W84-L89 HydrophobicContact CB-CD2 4.41Å; W84-L89 HydrophobicContact CB-CG 4.07Å; W84-L89 HydrophobicContact CD2-CD2 3.85Å; W84-L89 HydrophobicContact CD2-CG 4.35Å; W84-L89 HydrophobicContact CE3-CD2 3.45Å; W84-L89 VanDerWaalsContact CE3-CD2 3.45Å; W84-L89 HydrophobicContact CE3-CG 3.89Å; W84-L89 HydrophobicContact CG-CD2 4.28Å; W84-L89 HydrophobicContact CG-CG 4.46Å; W84-L89 HydrophobicContact CZ3-CD2 4.01Å
85	Q	97.1	Very high	94.2	Very high	151 Å²	151	94.7 Å²	94.7	71%	0.706	50%	0.497	S	S	*	.			trans	-67.5	142.7	166.6	-66.6	-179.1	-10.7	0	0	109.9	Q87 A88 L89	Q85-Q87 PolarHBondContact O-N 3.41Å; Q85-A88 HydrophobicContact CB-CB 4.18Å; Q85-A88 PolarHBondContact O-N 3.39Å; Q85-L89 PolarHBondContact O-N 2.93Å
86	A	95.1	Very high	94.3	Very high	75 Å²	75	89.3 Å²	89.3	62%	0.62	48%	0.48	S	S	*	.	H	α-helix	trans	-58.4	-38.9	176.8	0	0	0	0	0	111.8	L89 L90	A86-L89 PolarHBondContact O-N 3.42Å; A86-L90 WeakPolarHBondContact O-CG 3.31Å; A86-L90 PolarHBondContact O-N 2.99Å; A86-L90 VanDerWaalsContact O-N 3.12Å
87	Q	96.9	Very high	94.5	Very high	135 Å²	135	82.4 Å²	82.4	63%	0.631	45%	0.45	S	S	*	.	H	α-helix	trans	-70	-33.1	-179.2	-159.3	70.7	-33.3	0	0	113.2	Q85 L90 A91	Q85-Q87 PolarHBondContact O-N 3.41Å; Q87-L90 PolarHBondContact O-N 2.95Å; Q87-A91 WeakPolarHBondContact O-CB 3.29Å; Q87-A91 PolarHBondContact O-N 3.49Å
88	A	97	Very high	94.8	Very high	40 Å²	40	83.5 Å²	83.5	33%	0.331	46%	0.462	S	S	.	.	H	α-helix	trans	-64.3	-41.8	174.8	0	0	0	0	0	111.5	W84 Q85 L90 A91 L92	W84-A88 HydrophobicContact CE3-CB 4.38Å; Q85-A88 HydrophobicContact CB-CB 4.18Å; Q85-A88 PolarHBondContact O-N 3.39Å; A88-L90 VanDerWaalsContact C-N 3.35Å; A88-A91 PolarHBondContact O-N 3.37Å; A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.17Å
89	L	96.7	Very high	95.1	Very high	21 Å²	21	75.6 Å²	75.6	11%	0.11	43%	0.434	C	S	.	.	H	α-helix	trans	-66.3	-37.3	176.3	-70.1	172.1	0	0	0	112.1	A69 W84 Q85 A86 Q93	A69-L89 HydrophobicContact CB-CD2 4.05Å; W84-L89 HydrophobicContact CB-CD1 4Å; W84-L89 HydrophobicContact CB-CD2 4.41Å; W84-L89 HydrophobicContact CB-CG 4.07Å; W84-L89 HydrophobicContact CD2-CD2 3.85Å; W84-L89 HydrophobicContact CD2-CG 4.35Å; W84-L89 HydrophobicContact CE3-CD2 3.45Å; W84-L89 VanDerWaalsContact CE3-CD2 3.45Å; W84-L89 HydrophobicContact CE3-CG 3.89Å; W84-L89 HydrophobicContact CG-CD2 4.28Å; W84-L89 HydrophobicContact CG-CG 4.46Å; W84-L89 HydrophobicContact CZ3-CD2 4.01Å; Q85-L89 PolarHBondContact O-N 2.93Å; A86-L89 PolarHBondContact O-N 3.42Å; L89-Q93 WeakPolarHBondContact O-CB 3.35Å; L89-Q93 PolarHBondContact O-N 3.14Å
90	L	97.1	Very high	95.8	Very high	44 Å²	44	76.4 Å²	76.4	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-66	-47.9	175.3	-71	173.1	0	0	0	111.6	L58 K62 A86 Q87 A88 L92 Q93 E94	L58-L90 HydrophobicContact CD1-CD2 4.15Å; K62-L90 HydrophobicContact CD-CD2 4.23Å; A86-L90 WeakPolarHBondContact O-CG 3.31Å; A86-L90 PolarHBondContact O-N 2.99Å; A86-L90 VanDerWaalsContact O-N 3.12Å; Q87-L90 PolarHBondContact O-N 2.95Å; A88-L90 VanDerWaalsContact C-N 3.35Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.37Å; L90-Q93 PolarHBondContact O-N 3.02Å; L90-Q93 VanDerWaalsContact O-N 3.11Å; L90-E94 WeakPolarHBondContact O-CG 3.15Å; L90-E94 PolarHBondContact O-N 2.97Å
91	A	97.7	Very high	96.1	Very high	54 Å²	54	75.5 Å²	75.5	45%	0.446	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-42.2	177.8	0	0	0	0	0	112.1	Q87 A88 Q93 E94 A95	Q87-A91 WeakPolarHBondContact O-CB 3.29Å; Q87-A91 PolarHBondContact O-N 3.49Å; A88-A91 PolarHBondContact O-N 3.37Å; A91-Q93 VanDerWaalsContact C-N 3.31Å; A91-Q93 PolarHBondContact O-N 3.03Å; A91-E94 PolarHBondContact O-N 3.33Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.4Å
92	L	97.4	Very high	96.5	Very high	78 Å²	78	74.1 Å²	74.1	41%	0.408	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175.3	-168.1	80.4	0	0	0	111.3	F65 A69 A88 L90 A96	F65-L92 HydrophobicContact CE1-CB 4.25Å; F65-L92 HydrophobicContact CE1-CD2 3.93Å; F65-L92 HydrophobicContact CE1-CG 4.26Å; F65-L92 HydrophobicContact CZ-CB 4.37Å; F65-L92 HydrophobicContact CZ-CD2 3.89Å; F65-L92 HydrophobicContact CZ-CG 4.01Å; A69-L92 HydrophobicContact CB-CD2 3.92Å; A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.17Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.37Å; L92-A96 VanDerWaalsContact O-CB 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.31Å; L92-A96 PolarHBondContact O-N 3.33Å
93	Q	97.9	Very high	96.6	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.019	39%	0.386	C	S	.	.	H	α-helix	trans	-67.9	-44.1	179.2	-166.7	176.6	-23.4	0	0	112	L58 I60 F65 L89 L90 A91 A95 A96 E97	L58-Q93 HydrophobicContact CD1-CG 4.29Å; L58-Q93 HydrophobicContact CD2-CG 4.23Å; I60-Q93 PolarHBondContact O-NE2 3.29Å; F65-Q93 HydrophobicContact CD1-CB 3.77Å; F65-Q93 HydrophobicContact CD1-CG 3.92Å; F65-Q93 HydrophobicContact CD2-CG 4.2Å; F65-Q93 HydrophobicContact CE1-CB 3.49Å; F65-Q93 VanDerWaalsContact CE1-CB 3.49Å; F65-Q93 HydrophobicContact CE1-CG 4.01Å; F65-Q93 HydrophobicContact CE2-CB 4.44Å; F65-Q93 HydrophobicContact CE2-CG 4.27Å; F65-Q93 HydrophobicContact CG-CB 4.38Å; F65-Q93 HydrophobicContact CG-CG 4.02Å; F65-Q93 VanDerWaalsContact CZ-CA 3.45Å; F65-Q93 HydrophobicContact CZ-CB 3.86Å; F65-Q93 HydrophobicContact CZ-CG 4.18Å; L89-Q93 WeakPolarHBondContact O-CB 3.35Å; L89-Q93 PolarHBondContact O-N 3.14Å; L90-Q93 PolarHBondContact O-N 3.02Å; L90-Q93 VanDerWaalsContact O-N 3.11Å; A91-Q93 VanDerWaalsContact C-N 3.31Å; A91-Q93 PolarHBondContact O-N 3.03Å; Q93-A95 PolarHBondContact O-N 3.44Å; Q93-A96 PolarHBondContact O-N 2.86Å; Q93-E97 HydrophobicContact CG-CG 4.42Å; Q93-E97 PolarHBondContact NE2-OE1 3.15Å; Q93-E97 WeakPolarHBondContact O-CB 3.43Å; Q93-E97 WeakPolarHBondContact O-CG 3.36Å; Q93-E97 PolarHBondContact O-N 2.93Å
94	E	97.6	Very high	96.8	Very high	118 Å²	118	66.1 Å²	66.1	55%	0.551	37%	0.367	S	S	*	.	H	α-helix	trans	-58	-48.2	176.3	-75.7	178.3	-178.7	0	0	111.4	L58 L90 A91 A98	L58-E94 HydrophobicContact CD2-CG 3.91Å; L90-E94 WeakPolarHBondContact O-CG 3.15Å; L90-E94 PolarHBondContact O-N 2.97Å; A91-E94 PolarHBondContact O-N 3.33Å; E94-A98 VanDerWaalsContact O-CB 3.26Å; E94-A98 WeakPolarHBondContact O-CB 3.31Å; E94-A98 PolarHBondContact O-N 3.43Å
95	A	97	Very high	96.8	Very high	64 Å²	64	67.5 Å²	67.5	53%	0.529	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.6	0	0	0	0	0	112.2	A91 Q93 F99	A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.4Å; Q93-A95 PolarHBondContact O-N 3.44Å; A95-F99 WeakPolarHBondContact O-CB 3.32Å; A95-F99 PolarHBondContact O-N 2.96Å
96	A	97	Very high	96.8	Very high	33 Å²	33	63.1 Å²	63.1	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-45.1	-179.7	0	0	0	0	0	112.4	F65 L92 Q93 F99 L100	F65-A96 HydrophobicContact CE2-CB 4.1Å; F65-A96 HydrophobicContact CZ-CB 4.25Å; L92-A96 VanDerWaalsContact O-CB 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.31Å; L92-A96 PolarHBondContact O-N 3.33Å; Q93-A96 PolarHBondContact O-N 2.86Å; A96-F99 PolarHBondContact O-N 3.47Å; A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 3.28Å
97	E	97.5	Very high	96.9	Very high	19 Å²	19	59.6 Å²	59.6	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-43.3	178	-72.8	-170.1	-157.2	0	0	111.5	L58 L59 I60 Q93 F99 L100 V101	L58-E97 WeakPolarHBondContact CA-OE2 3.48Å; L59-E97 PolarHBondContact N-OE1 3.14Å; L59-E97 PolarHBondContact N-OE2 3.41Å; I60-E97 VanDerWaalsContact CB-OE1 3.26Å; I60-E97 WeakPolarHBondContact CB-OE1 3.48Å; I60-E97 HydrophobicContact CD1-CG 3.86Å; I60-E97 HydrophobicContact CG1-CG 4.09Å; I60-E97 WeakPolarHBondContact CG1-OE1 3.36Å; I60-E97 PolarHBondContact N-OE1 3.32Å; Q93-E97 HydrophobicContact CG-CG 4.42Å; Q93-E97 PolarHBondContact NE2-OE1 3.15Å; Q93-E97 WeakPolarHBondContact O-CB 3.43Å; Q93-E97 WeakPolarHBondContact O-CG 3.36Å; Q93-E97 PolarHBondContact O-N 2.93Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 2.75Å; E97-L100 PolarHBondContact O-N 3.16Å; E97-V101 VanDerWaalsContact O-CG2 3.32Å; E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.12Å
98	A	96.4	Very high	97	Very high	47 Å²	47	57.6 Å²	57.6	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-46.1	175.1	0	0	0	0	0	111.2	E94 L100 V101 H102	E94-A98 VanDerWaalsContact O-CB 3.26Å; E94-A98 WeakPolarHBondContact O-CB 3.31Å; E94-A98 PolarHBondContact O-N 3.43Å; A98-L100 PolarHBondContact O-N 3.13Å; A98-V101 PolarHBondContact O-N 3.27Å; A98-H102 PolarHBondContact O-N 3.32Å; A98-H102 VanDerWaalsContact O-N 3.14Å; A98-H102 PolarHBondContact O-ND1 3.41Å
99	F	95.6	Very high	97	Very high	80 Å²	80	61 Å²	61	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-47.7	177.1	175.5	-98.5	0	0	0	112.3	A95 A96 E97 H102 L103 A135	A95-F99 WeakPolarHBondContact O-CB 3.32Å; A95-F99 PolarHBondContact O-N 2.96Å; A96-F99 PolarHBondContact O-N 3.47Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 2.75Å; F99-H102 PolarHBondContact O-N 2.92Å; F99-L103 HydrophobicContact CE1-CD2 4.1Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 3.26Å; F99-A135 WeakPolarHBondContact CE2-O 3.32Å
100	L	96.6	Very high	97	Very high	70 Å²	70	61.8 Å²	61.8	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-40.9	-179.2	-71.2	174.8	0	0	0	112.3	A96 E97 A98 L103 F104	A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 3.28Å; E97-L100 PolarHBondContact O-N 3.16Å; A98-L100 PolarHBondContact O-N 3.13Å; L100-L103 PolarHBondContact O-N 3.36Å; L100-F104 HydrophobicContact CB-CE2 4.34Å; L100-F104 WeakPolarHBondContact O-CD2 3.44Å; L100-F104 WeakPolarHBondContact O-CG 3.37Å; L100-F104 PolarHBondContact O-N 3.41Å
101	V	96.8	Very high	97.1	Very high	65 Å²	65	59.7 Å²	59.7	39%	0.394	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-51.7	176.2	170.8	0	0	0	0	110.5	E97 A98 L103 F104 E105	E97-V101 VanDerWaalsContact O-CG2 3.32Å; E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.12Å; A98-V101 PolarHBondContact O-N 3.27Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.02Å; V101-F104 PolarHBondContact O-N 2.96Å; V101-F104 VanDerWaalsContact O-N 3.17Å; V101-E105 WeakPolarHBondContact O-CG 3.38Å; V101-E105 PolarHBondContact O-N 2.94Å
102	H	95.7	Very high	97.1	Very high	102 Å²	102	61.2 Å²	61.2	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-38.5	178.6	-71	87.8	0	0	0	112	A98 F99 F104 E105 D106 R131	A98-H102 PolarHBondContact O-N 3.32Å; A98-H102 VanDerWaalsContact O-N 3.14Å; A98-H102 PolarHBondContact O-ND1 3.41Å; F99-H102 PolarHBondContact O-N 2.92Å; H102-F104 VanDerWaalsContact C-N 3.33Å; H102-F104 PolarHBondContact O-N 3.27Å; H102-E105 PolarHBondContact O-N 3.18Å; H102-D106 PolarHBondContact O-N 3.11Å; H102-D106 VanDerWaalsContact O-N 3.15Å; H102-R131 VanDerWaalsContact C-NH2 3.31Å; H102-R131 PolarHBondContact O-NH2 3.32Å
103	L	96.1	Very high	97.1	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-39.1	177.2	-179	62.4	0	0	0	111.8	F99 L100 V101 A107 V124 A127 R128	F99-L103 HydrophobicContact CE1-CD2 4.1Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 3.26Å; L100-L103 PolarHBondContact O-N 3.36Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.02Å; L103-A107 VanDerWaalsContact O-CB 3.29Å; L103-A107 WeakPolarHBondContact O-CB 3.37Å; L103-A107 PolarHBondContact O-N 3.22Å; L103-V124 HydrophobicContact CD2-CG1 4.13Å; L103-V124 HydrophobicContact CG-CG1 4.41Å; L103-A127 HydrophobicContact CD1-CB 4.02Å; L103-R128 HydrophobicContact CD1-CG 3.84Å; L103-R128 HydrophobicContact CD2-CG 4.06Å
104	F	97.5	Very high	97	Very high	105 Å²	105	67.9 Å²	67.9	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-70.2	-34.9	176.5	-75.1	-54.3	0	0	0	112.7	L100 V101 H102 Y108 L119 V124	L100-F104 HydrophobicContact CB-CE2 4.34Å; L100-F104 WeakPolarHBondContact O-CD2 3.44Å; L100-F104 WeakPolarHBondContact O-CG 3.37Å; L100-F104 PolarHBondContact O-N 3.41Å; V101-F104 PolarHBondContact O-N 2.96Å; V101-F104 VanDerWaalsContact O-N 3.17Å; H102-F104 VanDerWaalsContact C-N 3.33Å; H102-F104 PolarHBondContact O-N 3.27Å; F104-Y108 WeakPolarHBondContact O-CB 3.38Å; F104-Y108 PolarHBondContact O-N 3.33Å; F104-L119 HydrophobicContact CD1-CD1 4.2Å; F104-V124 HydrophobicContact CD1-CG2 4.44Å; F104-V124 HydrophobicContact CE1-CG2 4.3Å
105	E	96.6	Very high	97	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-50	173.4	-72.1	174.9	175.7	0	0	110.9	V101 H102 Y108 L109	V101-E105 WeakPolarHBondContact O-CG 3.38Å; V101-E105 PolarHBondContact O-N 2.94Å; H102-E105 PolarHBondContact O-N 3.18Å; E105-Y108 PolarHBondContact O-N 3.3Å; E105-L109 PolarHBondContact O-N 2.98Å; E105-L109 VanDerWaalsContact O-N 3.13Å
106	D	96.6	Very high	97	Very high	60 Å²	60	65.1 Å²	65.1	32%	0.321	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.5	-76.3	3.3	0	0	0	112.7	H102 Y108 L109 L110 A127 R131	H102-D106 PolarHBondContact O-N 3.11Å; H102-D106 VanDerWaalsContact O-N 3.15Å; D106-Y108 PolarHBondContact O-N 3.2Å; D106-L109 WeakPolarHBondContact O-CB 3.33Å; D106-L109 PolarHBondContact O-N 2.92Å; D106-L109 VanDerWaalsContact O-N 3.17Å; D106-L110 PolarHBondContact O-N 2.8Å; D106-A127 HydrophobicContact CB-CB 4.38Å; D106-R131 IonicContact OD1-NH2 3.59Å; D106-R131 IonicContact OD2-CZ 2.65Å; D106-R131 IonicContact OD2-NE 3.8Å; D106-R131 PolarHBondContact OD2-NE 3.39Å; D106-R131 IonicContact OD2-NH2 2.75Å; D106-R131 PolarHBondContact OD2-NH2 3.4Å
107	A	97.6	Very high	96.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-31	177.3	0	0	0	0	0	111.9	L103 L110 T111 L119 V124 A127	L103-A107 VanDerWaalsContact O-CB 3.29Å; L103-A107 WeakPolarHBondContact O-CB 3.37Å; L103-A107 PolarHBondContact O-N 3.22Å; A107-L110 PolarHBondContact O-N 3.03Å; A107-T111 PolarHBondContact O-N 3.4Å; A107-T111 PolarHBondContact O-OG1 3.27Å; A107-L119 HydrophobicContact CB-CD1 4.02Å; A107-V124 HydrophobicContact CB-CB 4.37Å; A107-V124 HydrophobicContact CB-CG2 3.8Å; A107-A127 HydrophobicContact CB-CB 4.06Å
108	Y	97.9	Very high	96.9	Very high	94 Å²	94	72.4 Å²	72.4	37%	0.369	39%	0.394	S	S	.	.	H	α-helix	trans	-72.2	-34	176.3	-164.6	-107.2	0	0	0	112.1	F104 E105 D106 L110 T111 L112 V117 L119	F104-Y108 WeakPolarHBondContact O-CB 3.38Å; F104-Y108 PolarHBondContact O-N 3.33Å; E105-Y108 PolarHBondContact O-N 3.3Å; D106-Y108 PolarHBondContact O-N 3.2Å; Y108-L110 VanDerWaalsContact C-N 3.29Å; Y108-L110 PolarHBondContact O-N 2.92Å; Y108-T111 VanDerWaalsContact O-CB 3.31Å; Y108-T111 WeakPolarHBondContact O-CB 3.21Å; Y108-T111 PolarHBondContact O-N 3.46Å; Y108-T111 VanDerWaalsContact O-N 3.14Å; Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CD1-CG 4.19Å; Y108-L112 HydrophobicContact CE1-CD1 3.83Å; Y108-L112 HydrophobicContact CE1-CD2 4.12Å; Y108-L112 HydrophobicContact CE1-CG 3.96Å; Y108-L112 WeakPolarHBondContact O-CG 3.35Å; Y108-L112 PolarHBondContact O-N 3.29Å; Y108-V117 VanDerWaalsContact CE2-O 3.32Å; Y108-V117 WeakPolarHBondContact CE2-O 3.34Å; Y108-L119 HydrophobicContact CD2-CB 4.46Å; Y108-L119 HydrophobicContact CD2-CD1 4.42Å
109	L	97.6	Very high	97	Very high	112 Å²	112	73 Å²	73	59%	0.586	39%	0.39	S	S	*	.	H	α-helix	trans	-59.3	-41	170.8	-64	176.9	0	0	0	111.7	E105 D106 T111 L112 H113	E105-L109 PolarHBondContact O-N 2.98Å; E105-L109 VanDerWaalsContact O-N 3.13Å; D106-L109 WeakPolarHBondContact O-CB 3.33Å; D106-L109 PolarHBondContact O-N 2.92Å; D106-L109 VanDerWaalsContact O-N 3.17Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-H113 WeakPolarHBondContact O-CB 3.32Å; L109-H113 PolarHBondContact O-N 3.33Å
110	L	97.3	Very high	97.1	Very high	37 Å²	37	73.5 Å²	73.5	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-35.9	175.1	-62.9	173.7	0	0	0	112.5	D106 A107 Y108 H113 A114 D123 L126 A127 I130	D106-L110 PolarHBondContact O-N 2.8Å; A107-L110 PolarHBondContact O-N 3.03Å; Y108-L110 VanDerWaalsContact C-N 3.29Å; Y108-L110 PolarHBondContact O-N 2.92Å; L110-H113 PolarHBondContact O-N 2.79Å; L110-A114 PolarHBondContact O-N 2.87Å; L110-A114 VanDerWaalsContact O-N 3.1Å; L110-D123 HydrophobicContact CB-CB 4.4Å; L110-D123 WeakPolarHBondContact CD1-O 3.37Å; L110-L126 HydrophobicContact CD1-CB 3.96Å; L110-L126 HydrophobicContact CD1-CD2 4.06Å; L110-L126 HydrophobicContact CD1-CG 3.88Å; L110-L126 HydrophobicContact CD2-CD2 4.26Å; L110-A127 HydrophobicContact CD1-CB 3.87Å; L110-I130 HydrophobicContact CD1-CD1 4.5Å; L110-I130 HydrophobicContact CD2-CD1 4.27Å
111	T	98.3	Very high	97.1	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-46.8	174.9	-58	0	0	0	0	110.8	A107 Y108 L109 A114 R116 T118 D123	A107-T111 PolarHBondContact O-N 3.4Å; A107-T111 PolarHBondContact O-OG1 3.27Å; Y108-T111 VanDerWaalsContact O-CB 3.31Å; Y108-T111 WeakPolarHBondContact O-CB 3.21Å; Y108-T111 PolarHBondContact O-N 3.46Å; Y108-T111 VanDerWaalsContact O-N 3.14Å; L109-T111 VanDerWaalsContact C-N 3.33Å; T111-A114 PolarHBondContact O-N 2.78Å; T111-R116 CarbonylContact C-O 3.52Å; T111-R116 HydrophobicContact CG2-CB 3.93Å; T111-R116 PolarHBondContact O-N 2.92Å; T111-R116 VanDerWaalsContact O-N 3.12Å; T111-T118 WeakPolarHBondContact CG2-O 3.26Å; T111-D123 PolarHBondContact OG1-OD2 2.98Å
112	L	97.7	Very high	97.1	Very high	85 Å²	85	77.2 Å²	77.2	45%	0.445	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-40.2	176.5	-67.6	175.4	0	0	0	112	Y108 L109 A114 G115	Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CD1-CG 4.19Å; Y108-L112 HydrophobicContact CE1-CD1 3.83Å; Y108-L112 HydrophobicContact CE1-CD2 4.12Å; Y108-L112 HydrophobicContact CE1-CG 3.96Å; Y108-L112 WeakPolarHBondContact O-CG 3.35Å; Y108-L112 PolarHBondContact O-N 3.29Å; L109-L112 PolarHBondContact O-N 2.92Å; L112-A114 PolarHBondContact O-N 3.49Å; L112-G115 PolarHBondContact O-N 3.08Å
113	H	97.6	Very high	97.2	Very high	169 Å²	169	72.6 Å²	72.6	78%	0.782	39%	0.389	S	S	*	.	H	α-helix	trans	-57.6	-35.5	175.3	-178.5	72.7	0	0	0	111.9	L109 L110 G115	L109-H113 WeakPolarHBondContact O-CB 3.32Å; L109-H113 PolarHBondContact O-N 3.33Å; L110-H113 PolarHBondContact O-N 2.79Å; H113-G115 PolarHBondContact O-N 3.07Å
114	A	96.9	Very high	97.2	Very high	53 Å²	53	73.5 Å²	73.5	44%	0.438	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	11.2	175.3	0	0	0	0	0	114.5	L110 T111 L112 R116	L110-A114 PolarHBondContact O-N 2.87Å; L110-A114 VanDerWaalsContact O-N 3.1Å; T111-A114 PolarHBondContact O-N 2.78Å; L112-A114 PolarHBondContact O-N 3.49Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 2.99Å
115	G	96.9	Very high	97.1	Very high	71 Å²	71	74.8 Å²	74.8	73%	0.732	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	15.6	179.2	0	0	0	0	0	115	L112 H113	L112-G115 PolarHBondContact O-N 3.08Å; H113-G115 PolarHBondContact O-N 3.07Å
116	R	97.7	Very high	97	Very high	54 Å²	54	73.5 Å²	73.5	20%	0.204	40%	0.398	C	S	.	.			trans	-105.5	157.4	-179.7	-69.4	174	-72.3	120.5	-0.7	110.6	T111 A114 D123	T111-R116 CarbonylContact C-O 3.52Å; T111-R116 HydrophobicContact CG2-CB 3.93Å; T111-R116 PolarHBondContact O-N 2.92Å; T111-R116 VanDerWaalsContact O-N 3.12Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 2.99Å; R116-D123 IonicContact CZ-OD1 3.45Å; R116-D123 IonicContact CZ-OD2 3.1Å; R116-D123 IonicContact NH1-OD1 3.53Å; R116-D123 IonicContact NH1-OD2 2.76Å; R116-D123 PolarHBondContact NH1-OD2 3.4Å; R116-D123 IonicContact NH2-OD1 3.59Å; R116-D123 PolarHBondContact NH2-OD1 3.28Å; R116-D123 IonicContact NH2-OD2 3.57Å; R116-D123 PolarHBondContact NH2-OD2 2.72Å
117	V	95.2	Very high	97	Very high	107 Å²	107	70.9 Å²	70.9	65%	0.648	38%	0.384	S	S	*	.	S	Bend	trans	-106.7	-27.8	171.6	-176.9	0	0	0	0	111.3	Y108	Y108-V117 VanDerWaalsContact CE2-O 3.32Å; Y108-V117 WeakPolarHBondContact CE2-O 3.34Å
118	T	96.8	Very high	96.8	Very high	97 Å²	97	75.3 Å²	75.3	60%	0.595	40%	0.401	S	S	*	.	S	Bend	trans	-84.5	127	177.1	-53.8	0	0	0	0	109.8	T111 F120	T111-T118 WeakPolarHBondContact CG2-O 3.26Å; T118-F120 HydrophobicContact CG2-CE2 4.06Å; T118-F120 HydrophobicContact CG2-CZ 4.43Å; T118-F120 WeakPolarHBondContact O-CD2 3.5Å; T118-F120 VanDerWaalsContact O-CE2 3.25Å; T118-F120 WeakPolarHBondContact O-CE2 3.45Å
119	L	97.3	Very high	96.6	Very high	59 Å²	59	80.8 Å²	80.8	31%	0.309	42%	0.421	S	S	.	.			trans	-74.5	136.8	176.3	-176.8	150.1	0	0	0	110.9	F104 A107 Y108 V124	F104-L119 HydrophobicContact CD1-CD1 4.2Å; A107-L119 HydrophobicContact CB-CD1 4.02Å; Y108-L119 HydrophobicContact CD2-CB 4.46Å; Y108-L119 HydrophobicContact CD2-CD1 4.42Å; L119-V124 HydrophobicContact CD2-CG2 3.74Å
120	F	97.6	Very high	96.4	Very high	92 Å²	92	81 Å²	81	40%	0.404	42%	0.422	S	S	.	.			trans	-120.8	159.7	179	-73	-101.8	0	0	0	112.1	T118 K122 D123	T118-F120 HydrophobicContact CG2-CE2 4.06Å; T118-F120 HydrophobicContact CG2-CZ 4.43Å; T118-F120 WeakPolarHBondContact O-CD2 3.5Å; T118-F120 VanDerWaalsContact O-CE2 3.25Å; T118-F120 WeakPolarHBondContact O-CE2 3.45Å; F120-K122 HydrophobicContact CB-CG 4.08Å; F120-K122 PolarHBondContact O-N 3.05Å; F120-K122 VanDerWaalsContact O-N 3.16Å; F120-D123 WeakPolarHBondContact CB-OD2 3.27Å; F120-D123 PolarHBondContact N-OD2 3.39Å; F120-D123 WeakPolarHBondContact O-CB 3.5Å; F120-D123 PolarHBondContact O-N 3.35Å
121	P	97.4	Very high	96.2	Very high	91 Å²	91	82.5 Å²	82.5	59%	0.591	43%	0.425	S	S	*	.	H	α-helix	trans	-55.4	-35.3	179.1	-27.8	35.8	0	0	0	114.1	D123 V124 Q125	P121-D123 PolarHBondContact O-N 3.3Å; P121-V124 PolarHBondContact O-N 3.03Å; P121-Q125 VanDerWaalsContact O-CG 3.31Å; P121-Q125 WeakPolarHBondContact O-CG 3.4Å; P121-Q125 PolarHBondContact O-N 2.98Å
122	K	96.8	Very high	95.8	Very high	121 Å²	121	83.9 Å²	83.9	53%	0.526	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-30.9	177.2	66	-177.8	-178.2	178.5	0	113.2	F120 L126	F120-K122 HydrophobicContact CB-CG 4.08Å; F120-K122 PolarHBondContact O-N 3.05Å; F120-K122 VanDerWaalsContact O-N 3.16Å; K122-L126 VanDerWaalsContact O-CB 3.24Å; K122-L126 WeakPolarHBondContact O-CB 3.38Å; K122-L126 PolarHBondContact O-N 3.01Å
123	D	97.5	Very high	95	Very high	6 Å²	6	86.2 Å²	86.2	3%	0.032	45%	0.451	C	S	.	.	H	α-helix	trans	-73.2	-41.1	-179.5	-53	-48.4	0	0	0	110	L110 T111 R116 F120 P121 L126 A127	L110-D123 HydrophobicContact CB-CB 4.4Å; L110-D123 WeakPolarHBondContact CD1-O 3.37Å; T111-D123 PolarHBondContact OG1-OD2 2.98Å; R116-D123 IonicContact CZ-OD1 3.45Å; R116-D123 IonicContact CZ-OD2 3.1Å; R116-D123 IonicContact NH1-OD1 3.53Å; R116-D123 IonicContact NH1-OD2 2.76Å; R116-D123 PolarHBondContact NH1-OD2 3.4Å; R116-D123 IonicContact NH2-OD1 3.59Å; R116-D123 PolarHBondContact NH2-OD1 3.28Å; R116-D123 IonicContact NH2-OD2 3.57Å; R116-D123 PolarHBondContact NH2-OD2 2.72Å; F120-D123 WeakPolarHBondContact CB-OD2 3.27Å; F120-D123 PolarHBondContact N-OD2 3.39Å; F120-D123 WeakPolarHBondContact O-CB 3.5Å; F120-D123 PolarHBondContact O-N 3.35Å; P121-D123 PolarHBondContact O-N 3.3Å; D123-L126 PolarHBondContact O-N 3.45Å; D123-A127 WeakPolarHBondContact O-CB 3.47Å; D123-A127 PolarHBondContact O-N 2.91Å
124	V	96.3	Very high	94	Very high	28 Å²	28	87.4 Å²	87.4	17%	0.17	46%	0.457	C	S	.	.	H	α-helix	trans	-67.3	-43.4	174.9	179.5	0	0	0	0	111.3	L103 F104 A107 L119 P121 L126 A127 R128	L103-V124 HydrophobicContact CD2-CG1 4.13Å; L103-V124 HydrophobicContact CG-CG1 4.41Å; F104-V124 HydrophobicContact CD1-CG2 4.44Å; F104-V124 HydrophobicContact CE1-CG2 4.3Å; A107-V124 HydrophobicContact CB-CB 4.37Å; A107-V124 HydrophobicContact CB-CG2 3.8Å; L119-V124 HydrophobicContact CD2-CG2 3.74Å; P121-V124 PolarHBondContact O-N 3.03Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 3.3Å; V124-A127 PolarHBondContact O-N 3.34Å; V124-R128 WeakPolarHBondContact O-CG 3.34Å; V124-R128 PolarHBondContact O-N 2.98Å
125	Q	95.6	Very high	93	Very high	132 Å²	132	87.2 Å²	87.2	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-60.9	-42.1	176.2	-72.5	171.7	-6.2	0	0	111.5	P121 R128 R129	P121-Q125 VanDerWaalsContact O-CG 3.31Å; P121-Q125 WeakPolarHBondContact O-CG 3.4Å; P121-Q125 PolarHBondContact O-N 2.98Å; Q125-R128 PolarHBondContact O-N 3.28Å; Q125-R129 WeakPolarHBondContact O-CB 3.26Å; Q125-R129 PolarHBondContact O-N 3.43Å
126	L	95.1	Very high	91.6	Very high	76 Å²	76	83.9 Å²	83.9	40%	0.398	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-42.5	176.4	-176.8	59.3	0	0	0	111.8	L110 K122 D123 V124 R128 R129 I130	L110-L126 HydrophobicContact CD1-CB 3.96Å; L110-L126 HydrophobicContact CD1-CD2 4.06Å; L110-L126 HydrophobicContact CD1-CG 3.88Å; L110-L126 HydrophobicContact CD2-CD2 4.26Å; K122-L126 VanDerWaalsContact O-CB 3.24Å; K122-L126 WeakPolarHBondContact O-CB 3.38Å; K122-L126 PolarHBondContact O-N 3.01Å; D123-L126 PolarHBondContact O-N 3.45Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 3.3Å; L126-R128 PolarHBondContact O-N 3.48Å; L126-R129 WeakPolarHBondContact O-CB 3.38Å; L126-R129 PolarHBondContact O-N 3.11Å; L126-R129 VanDerWaalsContact O-N 3.13Å; L126-I130 HydrophobicContact CD1-CD1 3.94Å; L126-I130 HydrophobicContact CD1-CG1 4.13Å; L126-I130 HydrophobicContact CD2-CD1 4.49Å; L126-I130 HydrophobicContact CG-CD1 3.81Å; L126-I130 HydrophobicContact CG-CG1 4.41Å; L126-I130 WeakPolarHBondContact O-CG1 3.41Å; L126-I130 PolarHBondContact O-N 3.4Å
127	A	95.3	Very high	90.2	Very high	4 Å²	4	86.1 Å²	86.1	3%	0.033	44%	0.436	C	S	.	.	H	α-helix	trans	-57.7	-47.1	175.5	0	0	0	0	0	111.8	L103 D106 A107 L110 D123 V124 R129 I130 R131	L103-A127 HydrophobicContact CD1-CB 4.02Å; D106-A127 HydrophobicContact CB-CB 4.38Å; A107-A127 HydrophobicContact CB-CB 4.06Å; L110-A127 HydrophobicContact CD1-CB 3.87Å; D123-A127 WeakPolarHBondContact O-CB 3.47Å; D123-A127 PolarHBondContact O-N 2.91Å; V124-A127 PolarHBondContact O-N 3.34Å; A127-R129 VanDerWaalsContact C-N 3.31Å; A127-R129 PolarHBondContact O-N 3.05Å; A127-I130 PolarHBondContact O-N 2.92Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 WeakPolarHBondContact O-CG 3.45Å; A127-R131 PolarHBondContact O-N 3.33Å
128	R	94.6	Very high	88.4	Confident	93 Å²	93	87.1 Å²	87.1	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-40.4	174.9	-69.4	-179.4	69.1	-157.6	2.9	112.1	L103 V124 Q125 L126 G132 G136 L137	L103-R128 HydrophobicContact CD1-CG 3.84Å; L103-R128 HydrophobicContact CD2-CG 4.06Å; V124-R128 WeakPolarHBondContact O-CG 3.34Å; V124-R128 PolarHBondContact O-N 2.98Å; Q125-R128 PolarHBondContact O-N 3.28Å; L126-R128 PolarHBondContact O-N 3.48Å; R128-G132 PolarHBondContact O-N 3.23Å; R128-G136 WeakPolarHBondContact CG-O 3.28Å; R128-G136 PolarHBondContact NE-O 2.87Å; R128-G136 WeakPolarHBondContact O-CA 3.41Å; R128-L137 PolarHBondContact NH2-O 3.43Å
129	R	93.9	Very high	88	Confident	210 Å²	210	86.7 Å²	86.7	79%	0.792	46%	0.462	S	S	*	.	H	α-helix	trans	-65.7	-41.5	178.7	-174.4	175.7	-178.8	173.1	0.7	112.3	Q125 L126 A127 G132	Q125-R129 WeakPolarHBondContact O-CB 3.26Å; Q125-R129 PolarHBondContact O-N 3.43Å; L126-R129 WeakPolarHBondContact O-CB 3.38Å; L126-R129 PolarHBondContact O-N 3.11Å; L126-R129 VanDerWaalsContact O-N 3.13Å; A127-R129 VanDerWaalsContact C-N 3.31Å; A127-R129 PolarHBondContact O-N 3.05Å; R129-G132 PolarHBondContact O-N 3.45Å
130	I	93.7	Very high	87.5	Confident	117 Å²	117	88.1 Å²	88.1	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-71.8	-37.9	-179.3	-66.3	169.2	0	0	0	111.2	L110 L126 A127 G132	L110-I130 HydrophobicContact CD1-CD1 4.5Å; L110-I130 HydrophobicContact CD2-CD1 4.27Å; L126-I130 HydrophobicContact CD1-CD1 3.94Å; L126-I130 HydrophobicContact CD1-CG1 4.13Å; L126-I130 HydrophobicContact CD2-CD1 4.49Å; L126-I130 HydrophobicContact CG-CD1 3.81Å; L126-I130 HydrophobicContact CG-CG1 4.41Å; L126-I130 WeakPolarHBondContact O-CG1 3.41Å; L126-I130 PolarHBondContact O-N 3.4Å; A127-I130 PolarHBondContact O-N 2.92Å; I130-G132 PolarHBondContact O-N 3.3Å; I130-G132 VanDerWaalsContact O-N 3.11Å
131	R	91.7	Very high	86.9	Confident	67 Å²	67	87.9 Å²	87.9	25%	0.253	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.7	174.3	-78	-177.1	172.5	-150.6	-0.8	113.9	H102 D106 A127 A135	H102-R131 VanDerWaalsContact C-NH2 3.31Å; H102-R131 PolarHBondContact O-NH2 3.32Å; D106-R131 IonicContact OD1-NH2 3.59Å; D106-R131 IonicContact OD2-CZ 2.65Å; D106-R131 IonicContact OD2-NE 3.8Å; D106-R131 PolarHBondContact OD2-NE 3.39Å; D106-R131 IonicContact OD2-NH2 2.75Å; D106-R131 PolarHBondContact OD2-NH2 3.4Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 WeakPolarHBondContact O-CG 3.45Å; A127-R131 PolarHBondContact O-N 3.33Å; R131-A135 HydrophobicContact CB-CB 4.19Å
132	G	90	Very high	86.3	Confident	29 Å²	29	87.7 Å²	87.7	30%	0.299	47%	0.466	S	S	.	.	H	α-helix	trans	77.3	-169.3	179.1	0	0	0	0	0	113.3	R128 R129 I130 G136	R128-G132 PolarHBondContact O-N 3.23Å; R129-G132 PolarHBondContact O-N 3.45Å; I130-G132 PolarHBondContact O-N 3.3Å; I130-G132 VanDerWaalsContact O-N 3.11Å; G132-G136 VanDerWaalsContact O-CA 3.29Å; G132-G136 WeakPolarHBondContact O-CA 3.42Å; G132-G136 PolarHBondContact O-N 3.12Å; G132-G136 VanDerWaalsContact O-N 3.07Å
133	I	80.4	Confident	85.6	Confident	134 Å²	134	85.6 Å²	85.6	69%	0.687	46%	0.463	S	S	*	.	I	π-helix	trans	-71.7	-43.4	-171.2	-57.1	177.8	0	0	0	110.8	L137	I133-L137 HydrophobicContact CB-CD1 4.44Å; I133-L137 HydrophobicContact CG1-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CD1 4.38Å; I133-L137 PolarHBondContact O-N 3.37Å
134	E	78	Confident	84.9	Confident	195 Å²	195	90.9 Å²	90.9	91%	0.911	49%	0.491	S	S	*	.	I	π-helix	trans	-71.5	-41.6	-173.3	-63.5	-177.1	165.9	0	0	113.7
135	A	75.9	Confident	84	Confident	49 Å²	49	95.4 Å²	95.4	41%	0.405	51%	0.514	S	S	.	.	I	π-helix	trans	-104	-9.9	-175.4	0	0	0	0	0	114	F99 R131	F99-A135 WeakPolarHBondContact CE2-O 3.32Å; R131-A135 HydrophobicContact CB-CB 4.19Å
136	G	66.8	Low	83.1	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	51%	0.506	C	S	.	.	I	π-helix	trans	-114.9	-39.9	-171.7	0	0	0	0	0	114.7	R128 G132	R128-G136 WeakPolarHBondContact CG-O 3.28Å; R128-G136 PolarHBondContact NE-O 2.87Å; R128-G136 WeakPolarHBondContact O-CA 3.41Å; G132-G136 VanDerWaalsContact O-CA 3.29Å; G132-G136 WeakPolarHBondContact O-CA 3.42Å; G132-G136 PolarHBondContact O-N 3.12Å; G132-G136 VanDerWaalsContact O-N 3.07Å
137	L	67.8	Low	82.2	Confident	102 Å²	102	94 Å²	94	53%	0.534	52%	0.515	S	S	.	.	I	π-helix	trans	-86.8	-28.7	-173.8	-75.4	170.6	0	0	0	113.3	R128 I133	R128-L137 PolarHBondContact NH2-O 3.43Å; I133-L137 HydrophobicContact CB-CD1 4.44Å; I133-L137 HydrophobicContact CG1-CD1 4.13Å; I133-L137 HydrophobicContact CG2-CD1 4.38Å; I133-L137 PolarHBondContact O-N 3.37Å
138	G	57.7	Low	81	Confident	128 Å²	128	102.2 Å²	102.2	100%	1.32	56%	0.559	S	S	*	*			trans	80.8	0	-172.4	0	0	0	0	0	111

Retrieved 138 of 138 residues in 89 ms (Link to these results)

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