A0A096MPD3_PAPAN Loading...

Histone H3

AlphaFold DB (A0A5N4CQ89), UniProt , Accession A0A096MPD3, Species PAPAN (Papio anubis, Olive baboon), Gene H3C8, Length 136 aa.

						>A0A096MPD3_PAPAN|A0A096MPD3|H3C8
MARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSSAVMALQEACEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

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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	46.5	Very low	59.6	Low	251 Å²	251	170.5 Å²	170.5	100%	1.236	87%	0.874	S	S	*	*				0	110.1	0	-77.1	179.9	172.8	0	0	108.8
2	A	55.3	Low	59.5	Low	99 Å²	99	166.8 Å²	166.8	82%	0.818	87%	0.866	S	S	*	*			trans	-86.9	123.8	-176.3	0	0	0	0	0	110.7	T4	A2-T4 PolarHBondContact O-N 3.32Å
3	R	57.2	Low	59.4	Low	246 Å²	246	159.9 Å²	159.9	93%	0.928	86%	0.861	S	S	*	*			trans	-75.6	104.4	-179.6	-168.7	179.4	-173.5	-178.8	3.7	109.7	K5	R3-K5 PolarHBondContact O-N 3.13Å
4	T	63.2	Low	59.8	Low	124 Å²	124	154 Å²	154	76%	0.761	86%	0.856	S	S	*	*			trans	-74.5	111.3	173.1	40.1	0	0	0	0	110	A2 Q6	A2-T4 PolarHBondContact O-N 3.32Å; T4-Q6 PolarHBondContact O-N 3.27Å
5	K	62.8	Low	59.9	Low	199 Å²	199	158.1 Å²	158.1	87%	0.865	86%	0.861	S	S	*	*			trans	-70.6	92.7	165.7	-100	-178.9	174.7	176.5	0	108.2	R3 T7	R3-K5 PolarHBondContact O-N 3.13Å; K5-T7 PolarHBondContact O-N 3.04Å
6	Q	60.4	Low	60	Low	186 Å²	186	153.6 Å²	153.6	87%	0.869	85%	0.852	S	S	*	*			trans	-68.5	108.8	161.9	-84.5	-178	-12.6	0	0	108.5	T4 A8	T4-Q6 PolarHBondContact O-N 3.27Å; Q6-A8 PolarHBondContact O-N 3.36Å
7	T	64.3	Low	60	Low	128 Å²	128	152.6 Å²	152.6	79%	0.785	86%	0.855	S	S	*	*			trans	-76.6	115.3	163.3	51.2	0	0	0	0	107.9	K5 R9	K5-T7 PolarHBondContact O-N 3.04Å; T7-R9 PolarHBondContact O-N 3.28Å
8	A	60	Low	60.2	Low	102 Å²	102	155.8 Å²	155.8	84%	0.843	85%	0.851	S	S	*	*			trans	-60.9	101.4	175.8	0	0	0	0	0	110.2	Q6 K10	Q6-A8 PolarHBondContact O-N 3.36Å; A8-K10 PolarHBondContact O-N 3.34Å
9	R	63.3	Low	60.1	Low	238 Å²	238	157.7 Å²	157.7	90%	0.898	85%	0.85	S	S	*	*			trans	-80.5	104.2	168.1	-171.4	176.1	175.1	-173.6	-2.3	107.2	T7 S11	T7-R9 PolarHBondContact O-N 3.28Å; R9-S11 PolarHBondContact O-N 3.24Å; R9-S11 VanDerWaalsContact O-N 3.11Å
10	K	57.8	Low	60.2	Low	190 Å²	190	159.8 Å²	159.8	83%	0.826	85%	0.854	S	S	*	*			trans	-56.9	116.3	172.7	-78	-177.5	176	179.4	0	109.6	A8 T12	A8-K10 PolarHBondContact O-N 3.34Å; K10-T12 PolarHBondContact O-N 3.04Å
11	S	64.5	Low	60.3	Low	112 Å²	112	158.9 Å²	158.9	78%	0.783	85%	0.849	S	S	*	*			trans	-87.7	89.1	165.2	54.9	0	0	0	0	108.9	R9	R9-S11 PolarHBondContact O-N 3.24Å; R9-S11 VanDerWaalsContact O-N 3.11Å
12	T	58.5	Low	61.2	Low	126 Å²	126	152.2 Å²	152.2	77%	0.773	83%	0.833	S	S	*	*			trans	-153.4	125.1	159.1	28.1	0	0	0	0	109.1	K10	K10-T12 PolarHBondContact O-N 3.04Å
13	G	58.8	Low	61.2	Low	78 Å²	78	152.2 Å²	152.2	80%	0.804	82%	0.823	S	S	*	*			trans	-68.6	166	177.5	0	0	0	0	0	113.2
14	G	64.4	Low	61.4	Low	77 Å²	77	150 Å²	150	79%	0.794	82%	0.82	S	S	*	*	S	Bend	trans	61.7	94.6	146.8	0	0	0	0	0	118.2
15	K	61.2	Low	61.2	Low	215 Å²	215	148.7 Å²	148.7	94%	0.935	82%	0.823	S	S	*	*			trans	60	126.9	154.6	-81.8	177.9	173.4	175.4	0	118.5
16	A	61.7	Low	60.9	Low	87 Å²	87	143.7 Å²	143.7	72%	0.719	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.4	149.1	165.8	0	0	0	0	0	111.8	R18	A16-R18 PolarHBondContact O-N 3.04Å
17	P	60.5	Low	61	Low	137 Å²	137	145.9 Å²	145.9	89%	0.89	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.6	122.4	179.4	6.7	4.9	0	0	0	109.7
18	R	62.6	Low	60.7	Low	209 Å²	209	150.1 Å²	150.1	79%	0.789	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-103.3	125	-177.6	-155.6	176.1	-173.5	174.5	3.1	109.8	A16 Q20	A16-R18 PolarHBondContact O-N 3.04Å; R18-Q20 PolarHBondContact O-N 3.46Å
19	K	58.7	Low	60.5	Low	192 Å²	192	150.4 Å²	150.4	84%	0.835	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-54.3	131.3	169.4	-152.7	174.2	-174.4	-179.7	0	109.2	L21	K19-L21 PolarHBondContact O-N 3.39Å
20	Q	63.3	Low	60.5	Low	199 Å²	199	142.1 Å²	142.1	93%	0.93	81%	0.805	S	S	*	*			trans	-66.8	103.5	179.5	-86.9	179.7	-8.7	0	0	110.3	R18	R18-Q20 PolarHBondContact O-N 3.46Å
21	L	60.8	Low	60.5	Low	141 Å²	141	138 Å²	138	74%	0.738	80%	0.797	S	S	*	*			trans	-131.8	129.1	160.5	-82.4	158.7	0	0	0	105.7	K19 T23	K19-L21 PolarHBondContact O-N 3.39Å; L21-T23 PolarHBondContact O-N 3Å
22	A	65.5	Low	60.5	Low	111 Å²	111	137.9 Å²	137.9	92%	0.917	80%	0.803	S	S	*	*			trans	-47.4	113.6	-173.4	0	0	0	0	0	111.3	K24	A22-K24 PolarHBondContact O-N 2.89Å
23	T	56.3	Low	60.9	Low	99 Å²	99	138.1 Å²	138.1	61%	0.607	80%	0.804	S	S	*	*			trans	-96.2	97.2	-179.8	38.7	0	0	0	0	109.3	L21 A25	L21-T23 PolarHBondContact O-N 3Å; T23-A25 PolarHBondContact O-N 3.32Å
24	K	60.8	Low	61	Low	199 Å²	199	137.1 Å²	137.1	87%	0.865	79%	0.794	S	S	*	*			trans	-41.9	125.9	152.8	-136.4	172.6	-174.3	176.1	0	106.9	A22 A26	A22-K24 PolarHBondContact O-N 2.89Å; K24-A26 PolarHBondContact O-N 3.37Å
25	A	59.7	Low	61.3	Low	98 Å²	98	137.4 Å²	137.4	81%	0.81	80%	0.797	S	S	*	*			trans	-63.7	86.6	-179	0	0	0	0	0	109.8	T23 R27	T23-A25 PolarHBondContact O-N 3.32Å; A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.03Å
26	A	56.4	Low	61.9	Low	94 Å²	94	132.7 Å²	132.7	78%	0.777	79%	0.786	S	S	*	*			trans	-65.6	92.7	167.7	0	0	0	0	0	106.5	K24 K28	K24-A26 PolarHBondContact O-N 3.37Å; A26-K28 PolarHBondContact O-N 3.22Å
27	R	61.7	Low	62.7	Low	231 Å²	231	138 Å²	138	87%	0.872	79%	0.792	S	S	*	*			trans	-48.2	128.7	162.4	-71.4	179.8	175.1	176.4	-1	106.1	A25 S29	A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.03Å; R27-S29 VanDerWaalsContact C-N 3.31Å; R27-S29 PolarHBondContact O-N 3.21Å
28	K	58.2	Low	63.8	Low	218 Å²	218	140.4 Å²	140.4	95%	0.948	79%	0.789	S	S	*	*			trans	-46.5	93	178.6	-83.1	178.3	170.3	176.8	0	110.3	A26	A26-K28 PolarHBondContact O-N 3.22Å
29	S	55.6	Low	65	Low	108 Å²	108	136.1 Å²	136.1	76%	0.755	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.8	130.3	157.2	50.2	0	0	0	0	106.2	R27	R27-S29 VanDerWaalsContact C-N 3.31Å; R27-S29 PolarHBondContact O-N 3.21Å
30	A	64.3	Low	66.6	Low	64 Å²	64	134.1 Å²	134.1	53%	0.529	78%	0.782	S	S	.	*	P	Polyproline II helix	trans	-51.7	148.3	178.5	0	0	0	0	0	110.9	A32	A30-A32 PolarHBondContact O-N 3.13Å
31	P	57.3	Low	68.1	Low	104 Å²	104	135.4 Å²	135.4	68%	0.675	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-57.6	132.3	172.3	23.1	-30.4	0	0	0	109.7	T33	P31-T33 PolarHBondContact O-N 3.48Å; P31-T33 VanDerWaalsContact O-N 3.1Å
32	A	65.3	Low	69.8	Low	108 Å²	108	134 Å²	134	89%	0.893	76%	0.763	S	S	*	*	S	Bend	trans	-71	0.4	-174.8	0	0	0	0	0	114.3	A30	A30-A32 PolarHBondContact O-N 3.13Å
33	T	65.5	Low	71.3	Confident	131 Å²	131	138.6 Å²	138.6	80%	0.804	76%	0.757	S	S	*	*	S	Bend	trans	-144.9	105.3	178.2	52.5	0	0	0	0	109	P31	P31-T33 PolarHBondContact O-N 3.48Å; P31-T33 VanDerWaalsContact O-N 3.1Å
34	G	60.8	Low	73.3	Confident	58 Å²	58	140 Å²	140	60%	0.598	77%	0.768	S	S	*	*	S	Bend	trans	133.3	114.9	-178.7	0	0	0	0	0	110.5	V36	G34-V36 PolarHBondContact O-N 3.49Å
35	G	71.7	Confident	75	Confident	82 Å²	82	132.4 Å²	132.4	85%	0.845	75%	0.747	S	S	*	*			trans	-42.7	128.1	-173.3	0	0	0	0	0	113.1	K37	G35-K37 PolarHBondContact O-N 2.93Å; G35-K37 VanDerWaalsContact O-N 3.1Å
36	V	74.3	Confident	76.8	Confident	117 Å²	117	130.3 Å²	130.3	71%	0.709	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-51.1	120.5	177.7	-179.4	0	0	0	0	108.5	G34 K38	G34-V36 PolarHBondContact O-N 3.49Å; V36-K38 PolarHBondContact O-N 3.47Å
37	K	78.1	Confident	78.8	Confident	197 Å²	197	128.7 Å²	128.7	86%	0.857	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-52.6	119.9	175.3	-175.6	179.7	-179.1	178.7	0	107.9	G35	G35-K37 PolarHBondContact O-N 2.93Å; G35-K37 VanDerWaalsContact O-N 3.1Å
38	K	82.8	Confident	80.5	Confident	189 Å²	189	119.9 Å²	119.9	82%	0.822	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-52.1	130.9	-178.8	-71.1	-175	178.3	179.9	0	109.4	V36 H40	V36-K38 PolarHBondContact O-N 3.47Å; K38-H40 PolarHBondContact O-N 3.2Å
39	P	88.4	Confident	82.4	Confident	119 Å²	119	113.9 Å²	113.9	77%	0.773	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.7	175.4	23.1	-30.7	0	0	0	109.3	R41	P39-R41 PolarHBondContact O-N 3.49Å
40	H	92.2	Very high	84.5	Confident	149 Å²	149	114.7 Å²	114.7	69%	0.69	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-65.5	126.5	178.5	173.6	-85	0	0	0	109.8	K38 Y42	K38-H40 PolarHBondContact O-N 3.2Å; H40-Y42 AromaticContact CE1-CD1 3.68Å; H40-Y42 AromaticContact CE1-CE1 3.59Å; H40-Y42 AromaticContact CE1-CG 3.98Å; H40-Y42 AromaticContact CE1-CZ 3.82Å
41	R	94.6	Very high	86.1	Confident	227 Å²	227	116.2 Å²	116.2	86%	0.857	64%	0.641	S	S	*	*			trans	-122.4	126.5	175.2	-171.7	176.5	-179.9	177.2	0.5	109.5	P39	P39-R41 PolarHBondContact O-N 3.49Å
42	Y	96.5	Very high	88	Confident	110 Å²	110	115.4 Å²	115.4	43%	0.431	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-66	149.4	171.8	-71.3	-71.3	0	0	0	110.9	H40 T46 V47 R50	H40-Y42 AromaticContact CE1-CD1 3.68Å; H40-Y42 AromaticContact CE1-CE1 3.59Å; H40-Y42 AromaticContact CE1-CG 3.98Å; H40-Y42 AromaticContact CE1-CZ 3.82Å; Y42-T46 HydrophobicContact CD1-CG2 3.7Å; Y42-T46 HydrophobicContact CE1-CG2 4.43Å; Y42-T46 HydrophobicContact CG-CG2 4.21Å; Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.13Å; Y42-R50 VanDerWaalsContact CE1-NH2 3.33Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.31Å; Y42-R50 PolarHBondContact OH-NH2 3.37Å
43	R	97.1	Very high	89.6	Confident	208 Å²	208	118.3 Å²	118.3	79%	0.785	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-65.1	147.1	173.9	-65.7	-177.1	176.6	-172	-1.2	110	G45 T46	R43-G45 PolarHBondContact O-N 3.44Å; R43-T46 VanDerWaalsContact O-CB 3.28Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3Å; R43-T46 PolarHBondContact O-OG1 3.37Å
44	P	97.5	Very high	91.2	Very high	129 Å²	129	119.1 Å²	119.1	84%	0.838	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	137.7	170	-26.4	35.2	0	0	0	110.9	T46	P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.03Å
45	G	96.9	Very high	93	Very high	40 Å²	40	121 Å²	121	41%	0.412	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.5	-24.3	-175.3	0	0	0	0	0	115.5	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.44Å; G45-V47 PolarHBondContact O-N 3.02Å; G45-A48 PolarHBondContact O-N 3.13Å; G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 WeakPolarHBondContact O-CG 3.42Å; G45-L49 PolarHBondContact O-N 2.99Å
46	T	98.2	Very high	94.2	Very high	54 Å²	54	124.2 Å²	124.2	33%	0.331	59%	0.589	S	S	.	*	H	α-helix	trans	-64.1	-41	179.9	-61.3	0	0	0	0	112.4	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.7Å; Y42-T46 HydrophobicContact CE1-CG2 4.43Å; Y42-T46 HydrophobicContact CG-CG2 4.21Å; R43-T46 VanDerWaalsContact O-CB 3.28Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3Å; R43-T46 PolarHBondContact O-OG1 3.37Å; P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.03Å; T46-R50 PolarHBondContact O-N 3.41Å
47	V	98.2	Very high	95.3	Very high	59 Å²	59	127.8 Å²	127.8	36%	0.358	60%	0.595	S	S	.	*	H	α-helix	trans	-74.9	-41.8	178.4	-179.1	0	0	0	0	110.4	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.13Å; G45-V47 PolarHBondContact O-N 3.02Å; V47-L49 PolarHBondContact O-N 3.2Å; V47-R50 WeakPolarHBondContact O-CA 3.24Å; V47-R50 VanDerWaalsContact O-CB 3.32Å; V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.32Å; V47-E51 HydrophobicContact CG1-CG 4.39Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.47Å
48	A	97.9	Very high	96.2	Very high	47 Å²	47	120.5 Å²	120.5	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-57.7	-45.9	176.4	0	0	0	0	0	112.3	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.13Å; A48-R50 PolarHBondContact O-N 3.33Å; A48-E51 PolarHBondContact O-N 2.97Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 3.28Å
49	L	98.3	Very high	96.9	Very high	92 Å²	92	118.5 Å²	118.5	48%	0.482	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-29.8	175.7	-71.2	173.8	0	0	0	113	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 WeakPolarHBondContact O-CG 3.42Å; G45-L49 PolarHBondContact O-N 2.99Å; V47-L49 PolarHBondContact O-N 3.2Å; L49-R53 VanDerWaalsContact O-CG 3.31Å; L49-R53 WeakPolarHBondContact O-CG 3.19Å; L49-R53 PolarHBondContact O-N 3.36Å
50	R	98.4	Very high	97.3	Very high	124 Å²	124	117.6 Å²	117.6	47%	0.468	56%	0.558	S	S	.	*	H	α-helix	trans	-71.9	-41.8	174.7	-172.3	-175.5	-56.9	179.2	2.7	111.1	Y42 T46 V47 A48 R54	Y42-R50 VanDerWaalsContact CE1-NH2 3.33Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.31Å; Y42-R50 PolarHBondContact OH-NH2 3.37Å; T46-R50 PolarHBondContact O-N 3.41Å; V47-R50 WeakPolarHBondContact O-CA 3.24Å; V47-R50 VanDerWaalsContact O-CB 3.32Å; V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.32Å; A48-R50 PolarHBondContact O-N 3.33Å; R50-R54 WeakPolarHBondContact O-CB 3.32Å; R50-R54 PolarHBondContact O-N 2.89Å
51	E	98.2	Very high	97.6	Very high	97 Å²	97	112.9 Å²	112.9	45%	0.453	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-46.1	176.7	-72	170.3	-179.2	0	0	111.4	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.39Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.47Å; A48-E51 PolarHBondContact O-N 2.97Å; E51-R53 PolarHBondContact O-N 3.18Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 3.46Å; E51-R54 VanDerWaalsContact O-N 3.1Å; E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.06Å; E51-Y55 WeakPolarHBondContact O-CD2 3.47Å; E51-Y55 PolarHBondContact O-N 3.15Å
52	I	98.2	Very high	97.7	Very high	87 Å²	87	106.4 Å²	106.4	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-54.3	-51	175.8	-68.8	164.3	0	0	0	110.7	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 3.28Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.42Å; I52-Y55 PolarHBondContact O-N 3.41Å; I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.34Å; I52-Q56 VanDerWaalsContact O-CG 3.28Å; I52-Q56 WeakPolarHBondContact O-CG 3.36Å; I52-Q56 PolarHBondContact O-N 3.37Å
53	R	98.4	Very high	97.8	Very high	168 Å²	168	104.2 Å²	104.2	63%	0.634	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-36.6	178.7	-69.3	173.7	-166.9	143	2.6	113	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.31Å; L49-R53 WeakPolarHBondContact O-CG 3.19Å; L49-R53 PolarHBondContact O-N 3.36Å; E51-R53 PolarHBondContact O-N 3.18Å; R53-K57 WeakPolarHBondContact O-CB 3.27Å; R53-K57 PolarHBondContact O-N 3.12Å
54	R	98.1	Very high	97.9	Very high	149 Å²	149	104.2 Å²	104.2	56%	0.562	52%	0.515	S	S	*	.	H	α-helix	trans	-63.1	-52.9	177.1	177	-174.7	168.5	178.7	-3.9	109.9	R50 E51 I52 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.32Å; R50-R54 PolarHBondContact O-N 2.89Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 3.46Å; E51-R54 VanDerWaalsContact O-N 3.1Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.42Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.17Å; R54-S58 PolarHBondContact O-N 3.22Å; R54-S58 PolarHBondContact O-OG 3.34Å; R54-E60 IonicContact NH2-OE1 3.55Å
55	Y	98.2	Very high	97.8	Very high	96 Å²	96	103.6 Å²	103.6	38%	0.376	50%	0.499	S	S	.	.	H	α-helix	trans	-71.3	-31.7	-174.7	-66.1	-51.7	0	0	0	113.1	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.06Å; E51-Y55 WeakPolarHBondContact O-CD2 3.47Å; E51-Y55 PolarHBondContact O-N 3.15Å; I52-Y55 PolarHBondContact O-N 3.41Å; Y55-K57 PolarHBondContact O-N 3.36Å; Y55-S58 WeakPolarHBondContact CA-OG 3.39Å; Y55-S58 PolarHBondContact O-N 2.92Å; Y55-S58 PolarHBondContact O-OG 3Å; Y55-L62 HydrophobicContact CD1-CD1 4.48Å; Y55-L62 HydrophobicContact CD1-CD2 3.57Å; Y55-L62 HydrophobicContact CE1-CD2 3.61Å; Y55-L62 HydrophobicContact CG-CD2 4.39Å
56	Q	97.8	Very high	97.8	Very high	151 Å²	151	106.1 Å²	106.1	71%	0.706	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-23.7	171.5	-74.7	179.1	-23.7	0	0	113.6	I52	I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.34Å; I52-Q56 VanDerWaalsContact O-CG 3.28Å; I52-Q56 WeakPolarHBondContact O-CG 3.36Å; I52-Q56 PolarHBondContact O-N 3.37Å
57	K	98.1	Very high	97.8	Very high	192 Å²	192	107 Å²	107	84%	0.835	51%	0.509	S	S	*	.	H	α-helix	trans	-87.7	-22.2	179.2	-171	174.8	-179.7	-179.9	0	113	R53 R54 Y55	R53-K57 WeakPolarHBondContact O-CB 3.27Å; R53-K57 PolarHBondContact O-N 3.12Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.17Å; Y55-K57 PolarHBondContact O-N 3.36Å
58	S	97.2	Very high	97.9	Very high	43 Å²	43	105 Å²	105	30%	0.301	50%	0.496	S	S	.	.			trans	-101.2	159	-177.8	57.8	0	0	0	0	111.8	R54 Y55	R54-S58 PolarHBondContact O-N 3.22Å; R54-S58 PolarHBondContact O-OG 3.34Å; Y55-S58 WeakPolarHBondContact CA-OG 3.39Å; Y55-S58 PolarHBondContact O-N 2.92Å; Y55-S58 PolarHBondContact O-OG 3Å
59	T	97	Very high	97.9	Very high	148 Å²	148	106.2 Å²	106.2	91%	0.908	49%	0.493	S	S	*	.			trans	-116.3	21.3	171.8	56	0	0	0	0	111.7
60	E	97.1	Very high	97.9	Very high	99 Å²	99	109.7 Å²	109.7	46%	0.463	50%	0.5	S	S	.	.			trans	-71	138.8	177.5	66.3	-177.7	173	0	0	110.8	R54 L62	R54-E60 IonicContact NH2-OE1 3.55Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 3.42Å
61	L	97.4	Very high	97.9	Very high	51 Å²	51	107.7 Å²	107.7	27%	0.267	50%	0.499	S	S	.	.			trans	-67.8	130.7	172.6	-65.7	174.3	0	0	0	110.1	M91 Q94 E95 E98	L61-M91 HydrophobicContact CD1-CE 3.56Å; L61-M91 HydrophobicContact CD1-SD 4.46Å; L61-Q94 HydrophobicContact CD1-CB 4.49Å; L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; L61-E95 HydrophobicContact CD2-CG 4.07Å; L61-E98 WeakPolarHBondContact CA-OE2 3.47Å; L61-E98 HydrophobicContact CD2-CG 4.47Å
62	L	97.8	Very high	97.9	Very high	91 Å²	91	104 Å²	104	48%	0.476	48%	0.482	S	S	.	.			trans	-92.5	-26.1	-172.8	-57	-177	0	0	0	112.3	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD1 4.48Å; Y55-L62 HydrophobicContact CD1-CD2 3.57Å; Y55-L62 HydrophobicContact CE1-CD2 3.61Å; Y55-L62 HydrophobicContact CG-CD2 4.39Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 3.42Å; L62-E98 PolarHBondContact N-OE1 2.71Å; L62-E98 PolarHBondContact N-OE2 3.02Å
63	I	97.8	Very high	97.8	Very high	64 Å²	64	104.3 Å²	104.3	33%	0.328	48%	0.478	S	S	.	.	S	Bend	trans	-82.5	134.7	176.5	-55.7	176.1	0	0	0	109.1	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 3.35Å; I63-F68 HydrophobicContact CG2-CB 3.96Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; I63-F68 HydrophobicContact CG2-CG 4.5Å; I63-Q94 PolarHBondContact O-NE2 2.67Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.43Å; I63-E98 HydrophobicContact CD1-CG 3.77Å; I63-E98 HydrophobicContact CG1-CG 3.99Å; I63-E98 PolarHBondContact N-OE1 3.5Å; I63-L101 HydrophobicContact CD1-CD1 4.47Å
64	R	98.3	Very high	97.8	Very high	208 Å²	208	102.5 Å²	102.5	79%	0.785	48%	0.477	S	S	*	.			trans	-63.9	129.9	177.1	-65.4	-174.7	-178.4	-152.6	1.3	110.2	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.28Å; R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.34Å; R64-F68 PolarHBondContact O-N 2.9Å; R64-F68 VanDerWaalsContact O-N 3.15Å
65	K	96.6	Very high	97.8	Very high	115 Å²	115	99.5 Å²	99.5	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-55.4	-47.9	-175.5	-64.8	-177.9	-179.2	-68.7	0	114.1	I63 F68 Q69 M91	I63-K65 PolarHBondContact O-N 3.35Å; K65-F68 PolarHBondContact O-N 3.46Å; K65-Q69 WeakPolarHBondContact O-CB 3.42Å; K65-Q69 PolarHBondContact O-N 3.31Å; K65-M91 VanDerWaalsContact NZ-CE 3.35Å; K65-M91 PolarHBondContact NZ-SD 2.97Å
66	L	97.5	Very high	97.7	Very high	93 Å²	93	95.6 Å²	95.6	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-67.3	-47.9	-175.2	176.3	65.7	0	0	0	113.1	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.28Å; L66-F68 VanDerWaalsContact C-N 3.35Å; L66-F68 PolarHBondContact O-N 3.01Å; L66-Q69 PolarHBondContact O-N 3.24Å; L66-R70 WeakPolarHBondContact O-CG 3.39Å; L66-R70 PolarHBondContact O-N 3.33Å
67	P	98.3	Very high	97.7	Very high	73 Å²	73	92.9 Å²	92.9	47%	0.474	45%	0.446	S	S	.	.	H	α-helix	trans	-57.5	-43.8	171.4	-28.5	35.8	0	0	0	113.5	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.34Å; P67-Q69 PolarHBondContact O-N 2.93Å; P67-R70 PolarHBondContact O-N 2.7Å; P67-L71 PolarHBondContact O-N 2.98Å
68	F	98.4	Very high	97.7	Very high	16 Å²	16	90.2 Å²	90.2	7%	0.07	44%	0.441	C	S	.	.	H	α-helix	trans	-60.8	-45.5	177.6	-174.9	-94.8	0	0	0	111.7	I63 R64 K65 L66 R70 L71 V72 V90 L93 Q94 C97	I63-F68 HydrophobicContact CG2-CB 3.96Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; I63-F68 HydrophobicContact CG2-CG 4.5Å; R64-F68 PolarHBondContact O-N 2.9Å; R64-F68 VanDerWaalsContact O-N 3.15Å; K65-F68 PolarHBondContact O-N 3.46Å; L66-F68 VanDerWaalsContact C-N 3.35Å; L66-F68 PolarHBondContact O-N 3.01Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.56Å; F68-L71 PolarHBondContact O-N 3.5Å; F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CE1-CG2 3.47Å; F68-V72 VanDerWaalsContact CE1-CG2 3.47Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.31Å; F68-V72 PolarHBondContact O-N 3.36Å; F68-V90 HydrophobicContact CD1-CG1 4.25Å; F68-V90 HydrophobicContact CE1-CG1 4.49Å; F68-L93 HydrophobicContact CE1-CB 4.07Å; F68-L93 HydrophobicContact CZ-CB 4.19Å; F68-Q94 HydrophobicContact CD1-CB 3.69Å; F68-Q94 HydrophobicContact CD1-CG 3.87Å; F68-Q94 HydrophobicContact CD2-CG 4.26Å; F68-Q94 HydrophobicContact CE1-CB 3.43Å; F68-Q94 VanDerWaalsContact CE1-CB 3.43Å; F68-Q94 HydrophobicContact CE1-CG 3.98Å; F68-Q94 HydrophobicContact CE2-CB 4.49Å; F68-Q94 HydrophobicContact CE2-CG 4.35Å; F68-Q94 HydrophobicContact CG-CB 4.34Å; F68-Q94 HydrophobicContact CG-CG 4.02Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.23Å; F68-C97 HydrophobicContact CE2-CB 4.02Å; F68-C97 HydrophobicContact CZ-CB 4.18Å
69	Q	98	Very high	97.7	Very high	73 Å²	73	96.5 Å²	96.5	34%	0.341	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-39.9	175.7	-178.7	-175.8	-49.4	0	0	112.5	K65 L66 P67 V72 R73 V90	K65-Q69 WeakPolarHBondContact O-CB 3.42Å; K65-Q69 PolarHBondContact O-N 3.31Å; L66-Q69 PolarHBondContact O-N 3.24Å; P67-Q69 PolarHBondContact O-N 2.93Å; Q69-V72 PolarHBondContact O-N 2.94Å; Q69-R73 WeakPolarHBondContact O-CG 3.43Å; Q69-R73 PolarHBondContact O-N 3Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-V90 HydrophobicContact CB-CG1 4.07Å; Q69-V90 HydrophobicContact CG-CG1 4.24Å
70	R	98.2	Very high	97.7	Very high	165 Å²	165	96 Å²	96	62%	0.623	45%	0.448	S	S	*	.	H	α-helix	trans	-63	-46	176.7	-73.2	175.9	-179.6	-176	-1.7	110.8	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.39Å; L66-R70 PolarHBondContact O-N 3.33Å; P67-R70 PolarHBondContact O-N 2.7Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.56Å; R70-V72 PolarHBondContact O-N 3.47Å; R70-R73 PolarHBondContact O-N 3.01Å; R70-E74 WeakPolarHBondContact O-CB 3.38Å; R70-E74 PolarHBondContact O-N 3.48Å
71	L	98.4	Very high	97.6	Very high	83 Å²	83	95.2 Å²	95.2	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177	-179.8	63.4	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 2.98Å; F68-L71 PolarHBondContact O-N 3.5Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.94Å; L71-E74 PolarHBondContact O-N 3.46Å; L71-I75 HydrophobicContact CD1-CD1 3.93Å; L71-I75 HydrophobicContact CD1-CG1 4.23Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.45Å
72	V	98.1	Very high	97.4	Very high	19 Å²	19	99.5 Å²	99.5	12%	0.115	47%	0.473	C	S	.	.	H	α-helix	trans	-58.5	-42.8	176.5	168.5	0	0	0	0	111.3	F68 Q69 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CE1-CG2 3.47Å; F68-V72 VanDerWaalsContact CE1-CG2 3.47Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.31Å; F68-V72 PolarHBondContact O-N 3.36Å; Q69-V72 PolarHBondContact O-N 2.94Å; R70-V72 PolarHBondContact O-N 3.47Å; V72-A76 VanDerWaalsContact O-CB 3.24Å; V72-A76 WeakPolarHBondContact O-CB 3.1Å; V72-A76 PolarHBondContact O-N 2.83Å; V72-F85 HydrophobicContact CG1-CD1 4.21Å; V72-F85 HydrophobicContact CG1-CE1 3.76Å; V72-F85 HydrophobicContact CG1-CZ 4.08Å; V72-L93 HydrophobicContact CG1-CD1 3.63Å; V72-L93 HydrophobicContact CG2-CD1 4.21Å
73	R	97.3	Very high	97.4	Very high	94 Å²	94	98.5 Å²	98.5	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-71.5	-38.5	179.8	-71.2	177	-179.5	-78.7	0.4	112.6	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.43Å; Q69-R73 PolarHBondContact O-N 3Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 3.01Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.94Å; R73-A76 PolarHBondContact O-N 2.93Å; R73-Q77 WeakPolarHBondContact O-CB 3.39Å; R73-Q77 PolarHBondContact O-N 2.79Å; R73-F85 HydrophobicContact CG-CD2 4.27Å; R73-F85 HydrophobicContact CG-CE2 4.37Å
74	E	97.8	Very high	97.3	Very high	130 Å²	130	107 Å²	107	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-58	-54	174.7	-176.1	-177.7	150.2	0	0	110.5	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.38Å; R70-E74 PolarHBondContact O-N 3.48Å; L71-E74 PolarHBondContact O-N 3.46Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.33Å; E74-Q77 WeakPolarHBondContact O-CB 3.39Å; E74-Q77 PolarHBondContact O-N 2.88Å
75	I	97.9	Very high	97.3	Very high	85 Å²	85	99.6 Å²	99.6	44%	0.436	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-43.3	178.8	-65.1	169	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.93Å; L71-I75 HydrophobicContact CD1-CG1 4.23Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.45Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3.12Å; I75-D78 WeakPolarHBondContact O-CB 3.33Å; I75-D78 PolarHBondContact O-N 2.99Å; I75-F79 HydrophobicContact CG2-CE2 3.94Å; I75-F79 WeakPolarHBondContact O-CD2 3.29Å
76	A	97.7	Very high	97.4	Very high	14 Å²	14	100.7 Å²	100.7	12%	0.116	48%	0.477	C	S	.	.	H	α-helix	trans	-65.1	-31.1	-178.1	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.24Å; V72-A76 WeakPolarHBondContact O-CB 3.1Å; V72-A76 PolarHBondContact O-N 2.83Å; R73-A76 PolarHBondContact O-N 2.93Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.33Å; A76-D78 PolarHBondContact O-N 2.84Å; A76-F79 PolarHBondContact O-N 3.31Å; A76-F79 VanDerWaalsContact O-N 3.13Å; A76-K80 PolarHBondContact O-N 2.95Å; A76-L83 HydrophobicContact CB-CD1 4.11Å; A76-F85 HydrophobicContact CB-CE2 3.89Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å
77	Q	97.2	Very high	97.3	Very high	94 Å²	94	101 Å²	101	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-31.6	178.8	-170.3	69.8	17.7	0	0	112	R73 E74 I75 F79 T81	R73-Q77 WeakPolarHBondContact O-CB 3.39Å; R73-Q77 PolarHBondContact O-N 2.79Å; E74-Q77 WeakPolarHBondContact O-CB 3.39Å; E74-Q77 PolarHBondContact O-N 2.88Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3.12Å; Q77-F79 PolarHBondContact O-N 3.13Å; Q77-T81 VanDerWaalsContact NE2-CG2 3.31Å
78	D	97.4	Very high	97.3	Very high	136 Å²	136	100.3 Å²	100.3	73%	0.727	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	177.1	-64.1	-23.5	0	0	0	112.7	I75 A76	I75-D78 WeakPolarHBondContact O-CB 3.33Å; I75-D78 PolarHBondContact O-N 2.99Å; A76-D78 PolarHBondContact O-N 2.84Å
79	F	96.7	Very high	97.2	Very high	176 Å²	176	101.3 Å²	101.3	77%	0.772	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-41.7	179.2	-63.2	-85.2	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.94Å; I75-F79 WeakPolarHBondContact O-CD2 3.29Å; A76-F79 PolarHBondContact O-N 3.31Å; A76-F79 VanDerWaalsContact O-N 3.13Å; Q77-F79 PolarHBondContact O-N 3.13Å
80	K	97.2	Very high	97.2	Very high	138 Å²	138	98.5 Å²	98.5	60%	0.6	48%	0.482	S	S	*	.			trans	-156.1	127.7	179.4	178.9	163.6	179.7	161.2	0	110.8	A76 L83	A76-K80 PolarHBondContact O-N 2.95Å; K80-L83 HydrophobicContact CB-CD1 3.99Å; K80-L83 HydrophobicContact CB-CD2 4.43Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CG-CD1 4.5Å; K80-L83 HydrophobicContact CG-CD2 4.1Å; K80-L83 HydrophobicContact CG-CG 4.08Å
81	T	95.9	Very high	97.2	Very high	81 Å²	81	93.5 Å²	93.5	50%	0.497	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	156.2	175.8	69.2	0	0	0	0	111.4	Q77 L83	Q77-T81 VanDerWaalsContact NE2-CG2 3.31Å; T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.32Å
82	D	93.9	Very high	97.2	Very high	142 Å²	142	92.2 Å²	92.2	76%	0.759	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	27	171.5	-51.9	-56.2	0	0	0	115.5
83	L	96.3	Very high	97.2	Very high	70 Å²	70	95 Å²	95	37%	0.366	48%	0.482	S	S	.	.			trans	-70.9	132.6	173.4	-72.7	176.1	0	0	0	112.5	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.11Å; K80-L83 HydrophobicContact CB-CD1 3.99Å; K80-L83 HydrophobicContact CB-CD2 4.43Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CG-CD1 4.5Å; K80-L83 HydrophobicContact CG-CD2 4.1Å; K80-L83 HydrophobicContact CG-CG 4.08Å; T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.32Å; L83-F85 HydrophobicContact CB-CE2 3.97Å
84	R	96.9	Very high	97.3	Very high	241 Å²	241	90.6 Å²	90.6	91%	0.909	47%	0.465	S	S	*	.			trans	-99.4	135.7	168.6	-63.5	-178.3	73.3	-164	3.3	109.6
85	F	97.2	Very high	97.3	Very high	54 Å²	54	89.8 Å²	89.8	24%	0.237	46%	0.462	C	S	.	.			trans	-110	132.2	178.6	-74.7	-96.9	0	0	0	110.3	V72 R73 A76 L83 V90 L93	V72-F85 HydrophobicContact CG1-CD1 4.21Å; V72-F85 HydrophobicContact CG1-CE1 3.76Å; V72-F85 HydrophobicContact CG1-CZ 4.08Å; R73-F85 HydrophobicContact CG-CD2 4.27Å; R73-F85 HydrophobicContact CG-CE2 4.37Å; A76-F85 HydrophobicContact CB-CE2 3.89Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å; L83-F85 HydrophobicContact CB-CE2 3.97Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.28Å; F85-V90 HydrophobicContact CG-CG2 4.33Å; F85-L93 HydrophobicContact CE1-CD1 4.49Å
86	Q	98.2	Very high	97.3	Very high	138 Å²	138	88.8 Å²	88.8	65%	0.645	47%	0.466	S	S	*	.			trans	-67.2	148.7	164.4	-169.4	175.5	-14.2	0	0	109.6	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.31Å; Q86-S88 VanDerWaalsContact CG-OG 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.48Å; Q86-S88 PolarHBondContact NE2-OG 3.28Å; Q86-S88 PolarHBondContact O-N 3.09Å; Q86-A89 HydrophobicContact CB-CB 4.17Å; Q86-A89 WeakPolarHBondContact O-CB 3.31Å; Q86-A89 PolarHBondContact O-N 3.45Å; Q86-V90 PolarHBondContact O-N 2.99Å
87	S	96.3	Very high	97.3	Very high	99 Å²	99	90.6 Å²	90.6	69%	0.692	48%	0.477	S	S	*	.	H	α-helix	trans	-59.9	-41.3	176.7	52.6	0	0	0	0	112.3	A89 V90 M91	S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 3.16Å; S87-V90 PolarHBondContact O-N 2.75Å; S87-M91 WeakPolarHBondContact O-CG 3.38Å; S87-M91 PolarHBondContact O-N 2.78Å; S87-M91 VanDerWaalsContact O-N 3.13Å
88	S	97.8	Very high	97.4	Very high	58 Å²	58	87 Å²	87	41%	0.406	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-32.6	176	56.8	0	0	0	0	113	Q86 M91 A92	Q86-S88 VanDerWaalsContact C-N 3.31Å; Q86-S88 VanDerWaalsContact CG-OG 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.48Å; Q86-S88 PolarHBondContact NE2-OG 3.28Å; Q86-S88 PolarHBondContact O-N 3.09Å; S88-M91 PolarHBondContact O-N 2.99Å; S88-A92 WeakPolarHBondContact O-CB 3.48Å; S88-A92 PolarHBondContact O-N 3.22Å
89	A	98	Very high	97.4	Very high	38 Å²	38	83.7 Å²	83.7	31%	0.314	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-44	177.2	0	0	0	0	0	111.3	Q86 S87 M91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.17Å; Q86-A89 WeakPolarHBondContact O-CB 3.31Å; Q86-A89 PolarHBondContact O-N 3.45Å; S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 3.16Å; A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.27Å; A89-A92 PolarHBondContact O-N 3.42Å; A89-L93 WeakPolarHBondContact O-CG 3.37Å; A89-L93 PolarHBondContact O-N 2.96Å
90	V	97.4	Very high	97.5	Very high	13 Å²	13	79.9 Å²	79.9	8%	0.079	43%	0.433	C	S	.	.	H	α-helix	trans	-64.7	-38.9	175.7	-177.3	0	0	0	0	110.9	F68 Q69 F85 Q86 S87 Q94	F68-V90 HydrophobicContact CD1-CG1 4.25Å; F68-V90 HydrophobicContact CE1-CG1 4.49Å; Q69-V90 HydrophobicContact CB-CG1 4.07Å; Q69-V90 HydrophobicContact CG-CG1 4.24Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.28Å; F85-V90 HydrophobicContact CG-CG2 4.33Å; Q86-V90 PolarHBondContact O-N 2.99Å; S87-V90 PolarHBondContact O-N 2.75Å; V90-Q94 WeakPolarHBondContact O-CB 3.3Å; V90-Q94 PolarHBondContact O-N 3.17Å
91	M	97.5	Very high	97.5	Very high	60 Å²	60	76.4 Å²	76.4	30%	0.296	42%	0.421	S	S	.	.	H	α-helix	trans	-64	-44.7	175.6	-73.9	-63.8	-53.6	0	0	112.4	L61 K65 S87 S88 A89 L93 Q94 E95	L61-M91 HydrophobicContact CD1-CE 3.56Å; L61-M91 HydrophobicContact CD1-SD 4.46Å; K65-M91 VanDerWaalsContact NZ-CE 3.35Å; K65-M91 PolarHBondContact NZ-SD 2.97Å; S87-M91 WeakPolarHBondContact O-CG 3.38Å; S87-M91 PolarHBondContact O-N 2.78Å; S87-M91 VanDerWaalsContact O-N 3.13Å; S88-M91 PolarHBondContact O-N 2.99Å; A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.27Å; M91-L93 PolarHBondContact O-N 3.41Å; M91-Q94 WeakPolarHBondContact O-CB 3.48Å; M91-Q94 PolarHBondContact O-N 2.88Å; M91-Q94 VanDerWaalsContact O-N 3.12Å; M91-E95 PolarHBondContact O-N 3.44Å
92	A	98.4	Very high	97.6	Very high	56 Å²	56	76.1 Å²	76.1	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.9	0	0	0	0	0	111.7	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.48Å; S88-A92 PolarHBondContact O-N 3.22Å; A89-A92 PolarHBondContact O-N 3.42Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.31Å; A92-E95 PolarHBondContact O-N 3.44Å; A92-A96 WeakPolarHBondContact O-CB 3.29Å; A92-A96 PolarHBondContact O-N 3.48Å
93	L	98.4	Very high	97.8	Very high	77 Å²	77	70.2 Å²	70.2	40%	0.403	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-42.8	172.5	-71.1	170.5	0	0	0	111.1	F68 V72 F85 A89 M91 C97	F68-L93 HydrophobicContact CE1-CB 4.07Å; F68-L93 HydrophobicContact CZ-CB 4.19Å; V72-L93 HydrophobicContact CG1-CD1 3.63Å; V72-L93 HydrophobicContact CG2-CD1 4.21Å; F85-L93 HydrophobicContact CE1-CD1 4.49Å; A89-L93 WeakPolarHBondContact O-CG 3.37Å; A89-L93 PolarHBondContact O-N 2.96Å; M91-L93 PolarHBondContact O-N 3.41Å; L93-C97 VanDerWaalsContact O-CB 3.31Å; L93-C97 WeakPolarHBondContact O-CB 3.4Å; L93-C97 PolarHBondContact O-N 3.2Å; L93-C97 PolarHBondContact O-SG 3.3Å
94	Q	98.4	Very high	97.9	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-47.1	179.8	-166.4	174	-18.6	0	0	112.1	L61 I63 F68 V90 M91 A92 A96 C97 E98	L61-Q94 HydrophobicContact CD1-CB 4.49Å; L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; I63-Q94 PolarHBondContact O-NE2 2.67Å; F68-Q94 HydrophobicContact CD1-CB 3.69Å; F68-Q94 HydrophobicContact CD1-CG 3.87Å; F68-Q94 HydrophobicContact CD2-CG 4.26Å; F68-Q94 HydrophobicContact CE1-CB 3.43Å; F68-Q94 VanDerWaalsContact CE1-CB 3.43Å; F68-Q94 HydrophobicContact CE1-CG 3.98Å; F68-Q94 HydrophobicContact CE2-CB 4.49Å; F68-Q94 HydrophobicContact CE2-CG 4.35Å; F68-Q94 HydrophobicContact CG-CB 4.34Å; F68-Q94 HydrophobicContact CG-CG 4.02Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.23Å; V90-Q94 WeakPolarHBondContact O-CB 3.3Å; V90-Q94 PolarHBondContact O-N 3.17Å; M91-Q94 WeakPolarHBondContact O-CB 3.48Å; M91-Q94 PolarHBondContact O-N 2.88Å; M91-Q94 VanDerWaalsContact O-N 3.12Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.31Å; Q94-A96 PolarHBondContact O-N 2.93Å; Q94-C97 PolarHBondContact O-N 3.48Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.49Å; Q94-E98 PolarHBondContact O-N 2.67Å
95	E	98.3	Very high	98	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-47.1	177.1	-76.1	-179.6	-172.6	0	0	111.5	L61 M91 A92 E98 A99	L61-E95 HydrophobicContact CD2-CG 4.07Å; M91-E95 PolarHBondContact O-N 3.44Å; A92-E95 PolarHBondContact O-N 3.44Å; E95-E98 PolarHBondContact O-N 2.82Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.29Å; E95-A99 PolarHBondContact O-N 3.1Å
96	A	98.4	Very high	98	Very high	64 Å²	64	63.7 Å²	63.7	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-44.1	178.4	0	0	0	0	0	112.4	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.29Å; A92-A96 PolarHBondContact O-N 3.48Å; Q94-A96 PolarHBondContact O-N 2.93Å; A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 3.34Å
97	C	98.4	Very high	98	Very high	52 Å²	52	59.6 Å²	59.6	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-45.7	178.7	-74.2	0	0	0	0	112.2	F68 L93 Q94 Y100 L101	F68-C97 HydrophobicContact CE2-CB 4.02Å; F68-C97 HydrophobicContact CZ-CB 4.18Å; L93-C97 VanDerWaalsContact O-CB 3.31Å; L93-C97 WeakPolarHBondContact O-CB 3.4Å; L93-C97 PolarHBondContact O-N 3.2Å; L93-C97 PolarHBondContact O-SG 3.3Å; Q94-C97 PolarHBondContact O-N 3.48Å; C97-Y100 PolarHBondContact O-N 3.29Å; C97-L101 WeakPolarHBondContact O-CB 3.46Å; C97-L101 VanDerWaalsContact O-CG 3.29Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.4Å
98	E	98.4	Very high	98.1	Very high	19 Å²	19	54.9 Å²	54.9	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-41.7	179.7	-71.1	-167.1	-151	0	0	111.6	L61 L62 I63 Q94 E95 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.47Å; L61-E98 HydrophobicContact CD2-CG 4.47Å; L62-E98 PolarHBondContact N-OE1 2.71Å; L62-E98 PolarHBondContact N-OE2 3.02Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.43Å; I63-E98 HydrophobicContact CD1-CG 3.77Å; I63-E98 HydrophobicContact CG1-CG 3.99Å; I63-E98 PolarHBondContact N-OE1 3.5Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.49Å; Q94-E98 PolarHBondContact O-N 2.67Å; E95-E98 PolarHBondContact O-N 2.82Å; E98-Y100 PolarHBondContact O-N 2.88Å; E98-L101 PolarHBondContact O-N 3.05Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.29Å; E98-V102 PolarHBondContact O-N 3.46Å
99	A	98.2	Very high	98.2	Very high	66 Å²	66	55.4 Å²	55.4	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-45.4	174.8	0	0	0	0	0	112	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.29Å; E95-A99 PolarHBondContact O-N 3.1Å; A99-V102 PolarHBondContact O-N 2.88Å; A99-G103 PolarHBondContact O-N 3.44Å
100	Y	98	Very high	98.2	Very high	96 Å²	96	58.9 Å²	58.9	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-46.1	176.6	170.5	-98.1	0	0	0	112	A96 C97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 3.34Å; C97-Y100 PolarHBondContact O-N 3.29Å; E98-Y100 PolarHBondContact O-N 2.88Å; Y100-G103 PolarHBondContact O-N 2.97Å; Y100-L104 HydrophobicContact CE1-CD2 4.2Å; Y100-L104 WeakPolarHBondContact O-CB 3.28Å; Y100-L104 PolarHBondContact O-N 2.99Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.42Å; Y100-E134 PolarHBondContact OH-OE2 3.43Å
101	L	98.1	Very high	98.3	Very high	66 Å²	66	59 Å²	59	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-41	179.9	-72.2	174.9	0	0	0	112.1	I63 C97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.47Å; C97-L101 WeakPolarHBondContact O-CB 3.46Å; C97-L101 VanDerWaalsContact O-CG 3.29Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.4Å; E98-L101 PolarHBondContact O-N 3.05Å; L101-L104 PolarHBondContact O-N 2.74Å; L101-F105 HydrophobicContact CB-CE2 4.36Å; L101-F105 WeakPolarHBondContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CG 3.34Å; L101-F105 PolarHBondContact O-N 3.32Å
102	V	98.1	Very high	98.3	Very high	74 Å²	74	56.2 Å²	56.2	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-50.9	175.2	170.6	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.29Å; E98-V102 PolarHBondContact O-N 3.46Å; A99-V102 PolarHBondContact O-N 2.88Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 3.49Å; V102-F105 PolarHBondContact O-N 2.87Å; V102-F105 VanDerWaalsContact O-N 3.1Å; V102-E106 WeakPolarHBondContact O-CG 3.04Å; V102-E106 PolarHBondContact O-N 3.39Å
103	G	97.8	Very high	98.3	Very high	19 Å²	19	58 Å²	58	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-39.7	176.9	0	0	0	0	0	112.2	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.44Å; Y100-G103 PolarHBondContact O-N 2.97Å; G103-F105 VanDerWaalsContact C-N 3.35Å; G103-F105 PolarHBondContact O-N 3.45Å; G103-E106 PolarHBondContact O-N 2.92Å; G103-D107 PolarHBondContact O-N 3.26Å; G103-R132 PolarHBondContact O-NH2 3.49Å
104	L	98.1	Very high	98.3	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-38.2	175.8	-179.5	61.2	0	0	0	112.2	Y100 L101 V102 E106 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.2Å; Y100-L104 WeakPolarHBondContact O-CB 3.28Å; Y100-L104 PolarHBondContact O-N 2.99Å; L101-L104 PolarHBondContact O-N 2.74Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 3.49Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-D107 PolarHBondContact O-N 3.18Å; L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.49Å; L104-T108 PolarHBondContact O-N 2.94Å; L104-T108 PolarHBondContact O-OG1 3.03Å; L104-I125 HydrophobicContact CD2-CG2 4.19Å; L104-A128 HydrophobicContact CD1-CB 4.06Å; L104-R129 HydrophobicContact CD1-CG 3.81Å; L104-R129 HydrophobicContact CD2-CG 4.41Å
105	F	98.4	Very high	98.3	Very high	101 Å²	101	64.4 Å²	64.4	44%	0.443	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-31.8	176.2	-76.5	-54.5	0	0	0	112.9	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.36Å; L101-F105 WeakPolarHBondContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CG 3.34Å; L101-F105 PolarHBondContact O-N 3.32Å; V102-F105 PolarHBondContact O-N 2.87Å; V102-F105 VanDerWaalsContact O-N 3.1Å; G103-F105 VanDerWaalsContact C-N 3.35Å; G103-F105 PolarHBondContact O-N 3.45Å; F105-T108 PolarHBondContact O-N 3.38Å; F105-N109 VanDerWaalsContact O-CB 3.27Å; F105-N109 WeakPolarHBondContact O-CB 3.38Å; F105-N109 PolarHBondContact O-N 3.41Å; F105-I120 HydrophobicContact CD1-CD1 3.91Å; F105-I120 HydrophobicContact CE1-CD1 4.05Å
106	E	98.3	Very high	98.3	Very high	114 Å²	114	68.8 Å²	68.8	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-51.2	172.6	-69.9	175.3	172.5	0	0	111	V102 G103 L104 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.04Å; V102-E106 PolarHBondContact O-N 3.39Å; G103-E106 PolarHBondContact O-N 2.92Å; L104-E106 VanDerWaalsContact C-N 3.34Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 2.95Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 3.31Å; E106-L110 WeakPolarHBondContact O-CG 3.4Å; E106-L110 PolarHBondContact O-N 3.19Å
107	D	98.3	Very high	98.3	Very high	51 Å²	51	68.1 Å²	68.1	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-39.6	177.2	-73.2	-2.9	0	0	0	112.5	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.26Å; L104-D107 PolarHBondContact O-N 3.18Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 2.9Å; D107-L110 WeakPolarHBondContact O-CB 3.32Å; D107-L110 PolarHBondContact O-N 2.88Å; D107-C111 PolarHBondContact O-N 3.4Å; D107-C111 PolarHBondContact O-SG 3.25Å; D107-A128 HydrophobicContact CB-CB 3.83Å; D107-R132 VanDerWaalsContact CG-NH2 3.27Å; D107-R132 IonicContact OD1-NH2 3.42Å; D107-R132 IonicContact OD2-CZ 3.61Å; D107-R132 IonicContact OD2-NE 2.75Å; D107-R132 PolarHBondContact OD2-NE 3.31Å; D107-R132 IonicContact OD2-NH2 3.56Å; D107-R132 PolarHBondContact OD2-NH2 3.11Å
108	T	98.6	Very high	98.3	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-40.5	175.6	-60.7	0	0	0	0	110.6	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.49Å; L104-T108 PolarHBondContact O-N 2.94Å; L104-T108 PolarHBondContact O-OG1 3.03Å; F105-T108 PolarHBondContact O-N 3.38Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 2.95Å; T108-C111 WeakPolarHBondContact O-CB 3.3Å; T108-C111 PolarHBondContact O-N 3.1Å; T108-A112 PolarHBondContact O-N 3.41Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CD1 4.42Å; T108-I120 HydrophobicContact CG2-CG2 3.87Å; T108-D124 HydrophobicContact CG2-CB 3.58Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å
109	N	98.6	Very high	98.3	Very high	69 Å²	69	76 Å²	76	37%	0.369	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-40.4	176.6	-173.9	51.1	0	0	0	111.4	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.27Å; F105-N109 WeakPolarHBondContact O-CB 3.38Å; F105-N109 PolarHBondContact O-N 3.41Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 3.31Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 2.9Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.37Å; N109-A112 PolarHBondContact O-N 3.34Å; N109-I113 VanDerWaalsContact O-CG1 3.32Å; N109-I113 WeakPolarHBondContact O-CG1 3.16Å; N109-I113 PolarHBondContact O-N 2.71Å; N109-I120 HydrophobicContact CB-CG2 4.46Å
110	L	98.5	Very high	98.3	Very high	111 Å²	111	76.1 Å²	76.1	58%	0.581	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-41.6	173.1	-65.3	177.8	0	0	0	111.8	E106 D107 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.4Å; E106-L110 PolarHBondContact O-N 3.19Å; D107-L110 WeakPolarHBondContact O-CB 3.32Å; D107-L110 PolarHBondContact O-N 2.88Å; L110-I113 PolarHBondContact O-N 2.87Å; L110-H114 WeakPolarHBondContact O-CB 3.44Å; L110-H114 PolarHBondContact O-N 2.7Å
111	C	98.3	Very high	98.3	Very high	17 Å²	17	75.2 Å²	75.2	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-63	-41.3	175.3	-66.7	0	0	0	0	112.3	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.4Å; D107-C111 PolarHBondContact O-SG 3.25Å; T108-C111 WeakPolarHBondContact O-CB 3.3Å; T108-C111 PolarHBondContact O-N 3.1Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.37Å; C111-H114 PolarHBondContact O-N 2.89Å; C111-A115 PolarHBondContact O-N 3.36Å; C111-A115 VanDerWaalsContact O-N 3.16Å; C111-D124 HydrophobicContact CB-CB 3.93Å; C111-L127 HydrophobicContact CB-CD2 4.26Å
112	A	98.6	Very high	98.3	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-64.1	-44.5	176.7	0	0	0	0	0	111.9	T108 N109 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.41Å; N109-A112 PolarHBondContact O-N 3.34Å; A112-A115 CarbonylContact O-C 3.35Å; A112-A115 PolarHBondContact O-N 3.26Å; A112-K116 PolarHBondContact O-N 3.42Å; A112-R117 CarbonylContact C-O 3.43Å; A112-R117 PolarHBondContact O-N 3.36Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
113	I	98.5	Very high	98.2	Very high	95 Å²	95	78.4 Å²	78.4	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-42.2	177.2	-68.4	166.9	0	0	0	110.9	N109 L110 A115 K116	N109-I113 VanDerWaalsContact O-CG1 3.32Å; N109-I113 WeakPolarHBondContact O-CG1 3.16Å; N109-I113 PolarHBondContact O-N 2.71Å; L110-I113 PolarHBondContact O-N 2.87Å; I113-A115 PolarHBondContact O-N 3.34Å; I113-K116 WeakPolarHBondContact O-CA 3.5Å; I113-K116 PolarHBondContact O-N 2.94Å
114	H	98.3	Very high	98.3	Very high	165 Å²	165	77.8 Å²	77.8	76%	0.764	40%	0.4	S	S	*	.	H	α-helix	trans	-56.4	-37.6	175	-177.9	76.7	0	0	0	111.7	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.44Å; L110-H114 PolarHBondContact O-N 2.7Å; C111-H114 PolarHBondContact O-N 2.89Å; H114-K116 PolarHBondContact O-N 3.01Å
115	A	98.3	Very high	98.2	Very high	47 Å²	47	79.8 Å²	79.8	39%	0.388	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	18	174.3	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.36Å; C111-A115 VanDerWaalsContact O-N 3.16Å; A112-A115 CarbonylContact O-C 3.35Å; A112-A115 PolarHBondContact O-N 3.26Å; I113-A115 PolarHBondContact O-N 3.34Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.26Å; A115-R117 PolarHBondContact O-N 3.03Å
116	K	98.4	Very high	98.2	Very high	205 Å²	205	79.5 Å²	79.5	89%	0.891	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	31	179.7	-55.1	178.8	-178.9	177.7	0	114.4	A112 I113 H114	A112-K116 PolarHBondContact O-N 3.42Å; I113-K116 WeakPolarHBondContact O-CA 3.5Å; I113-K116 PolarHBondContact O-N 2.94Å; H114-K116 PolarHBondContact O-N 3.01Å
117	R	98.4	Very high	98.1	Very high	51 Å²	51	77.8 Å²	77.8	19%	0.192	41%	0.405	C	S	.	.			trans	-116.9	158.6	176.6	-71.5	176.1	-70.4	108.6	-1.7	111.1	A112 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.43Å; A112-R117 PolarHBondContact O-N 3.36Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.26Å; A115-R117 PolarHBondContact O-N 3.03Å; R117-T119 PolarHBondContact NH1-O 3.31Å; R117-K123 VanDerWaalsContact NH2-CE 3.33Å; R117-D124 IonicContact CZ-OD1 3.12Å; R117-D124 IonicContact CZ-OD2 3.59Å; R117-D124 IonicContact NH1-OD1 3.87Å; R117-D124 IonicContact NH1-OD2 3.56Å; R117-D124 PolarHBondContact NH1-OD2 3.39Å; R117-D124 IonicContact NH2-OD1 2.67Å; R117-D124 PolarHBondContact NH2-OD1 3.34Å; R117-D124 IonicContact NH2-OD2 2.7Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å
118	V	97.6	Very high	98	Very high	136 Å²	136	75.5 Å²	75.5	82%	0.824	39%	0.393	S	S	*	.	S	Bend	trans	-105.3	-23.5	171	-175.4	0	0	0	0	111.3
119	T	98.3	Very high	98	Very high	101 Å²	101	80.2 Å²	80.2	62%	0.62	41%	0.41	S	S	*	.	S	Bend	trans	-90.5	120.6	178.3	-51.8	0	0	0	0	110.2	R117	R117-T119 PolarHBondContact NH1-O 3.31Å
120	I	98.3	Very high	97.9	Very high	68 Å²	68	84 Å²	84	35%	0.349	42%	0.42	S	S	.	.			trans	-68.1	145.7	171.9	61.6	172.1	0	0	0	111.1	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.91Å; F105-I120 HydrophobicContact CE1-CD1 4.05Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CD1 4.42Å; T108-I120 HydrophobicContact CG2-CG2 3.87Å; N109-I120 HydrophobicContact CB-CG2 4.46Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
121	M	98.4	Very high	97.7	Very high	76 Å²	76	84.8 Å²	84.8	37%	0.374	42%	0.423	S	S	.	.			trans	-133	162	-178.4	-66.4	-179.5	176.4	0	0	110.5	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 4Å; M121-K123 PolarHBondContact O-N 3.17Å; M121-K123 VanDerWaalsContact O-N 3.13Å; M121-D124 PolarHBondContact N-OD2 3.31Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.47Å; M121-D124 PolarHBondContact O-N 3.37Å; M121-I125 PolarHBondContact O-N 3Å
122	P	98.1	Very high	97.6	Very high	94 Å²	94	88 Å²	88	61%	0.61	43%	0.433	S	S	*	.	H	α-helix	trans	-54.5	-34.3	177.7	-28.6	36.2	0	0	0	114.2	D124 I125 Q126	P122-D124 PolarHBondContact O-N 2.94Å; P122-I125 PolarHBondContact O-N 3.37Å; P122-Q126 VanDerWaalsContact O-CG 3.27Å; P122-Q126 WeakPolarHBondContact O-CG 3.41Å; P122-Q126 PolarHBondContact O-N 2.91Å
123	K	97.3	Very high	97.4	Very high	114 Å²	114	90.6 Å²	90.6	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-29.8	175.5	64.2	178.8	179.3	-179.4	0	113.6	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.33Å; M121-K123 HydrophobicContact CB-CG 4Å; M121-K123 PolarHBondContact O-N 3.17Å; M121-K123 VanDerWaalsContact O-N 3.13Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 3.36Å
124	D	98.3	Very high	97	Very high	5 Å²	5	89 Å²	89	3%	0.027	45%	0.451	C	S	.	.	H	α-helix	trans	-72.6	-41.7	178.9	-56.9	-39.7	0	0	0	109.9	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.58Å; C111-D124 HydrophobicContact CB-CB 3.93Å; R117-D124 IonicContact CZ-OD1 3.12Å; R117-D124 IonicContact CZ-OD2 3.59Å; R117-D124 IonicContact NH1-OD1 3.87Å; R117-D124 IonicContact NH1-OD2 3.56Å; R117-D124 PolarHBondContact NH1-OD2 3.39Å; R117-D124 IonicContact NH2-OD1 2.67Å; R117-D124 PolarHBondContact NH2-OD1 3.34Å; R117-D124 IonicContact NH2-OD2 2.7Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å; M121-D124 PolarHBondContact N-OD2 3.31Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.47Å; M121-D124 PolarHBondContact O-N 3.37Å; P122-D124 PolarHBondContact O-N 2.94Å; D124-L127 PolarHBondContact O-N 3.34Å; D124-A128 WeakPolarHBondContact O-CB 3.31Å; D124-A128 PolarHBondContact O-N 3.1Å
125	I	97.6	Very high	95.7	Very high	55 Å²	55	86.6 Å²	86.6	28%	0.282	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.4	-61.4	175.5	0	0	0	110.1	L104 T108 M121 P122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.19Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å; M121-I125 PolarHBondContact O-N 3Å; P122-I125 PolarHBondContact O-N 3.37Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.45Å; I125-A128 PolarHBondContact O-N 3.25Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.28Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 3.43Å
126	Q	97	Very high	93.6	Very high	96 Å²	96	92.5 Å²	92.5	45%	0.449	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-39.8	178.4	-73.5	174	14.3	0	0	112.3	P122 R130 R135	P122-Q126 VanDerWaalsContact O-CG 3.27Å; P122-Q126 WeakPolarHBondContact O-CG 3.41Å; P122-Q126 PolarHBondContact O-N 2.91Å; Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.34Å; Q126-R130 PolarHBondContact O-N 3.21Å; Q126-R135 PolarHBondContact O-NH1 3.25Å
127	L	96.7	Very high	93.4	Very high	77 Å²	77	86.9 Å²	86.9	40%	0.403	46%	0.463	S	S	.	.	H	α-helix	trans	-67.7	-47.9	176.3	179.9	59.5	0	0	0	111.3	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.26Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 3.36Å; D124-L127 PolarHBondContact O-N 3.34Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.45Å; L127-R129 PolarHBondContact O-N 3.06Å; L127-R130 WeakPolarHBondContact O-CB 3.28Å; L127-R130 PolarHBondContact O-N 3.31Å; L127-R130 VanDerWaalsContact O-N 3.12Å; L127-I131 HydrophobicContact CD1-CD1 3.91Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.1Å
128	A	97.2	Very high	93.1	Very high	3 Å²	3	88.7 Å²	88.7	3%	0.025	48%	0.477	C	S	.	.	H	α-helix	trans	-56.2	-50.7	176.9	0	0	0	0	0	111.4	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.06Å; D107-A128 HydrophobicContact CB-CB 3.83Å; D124-A128 WeakPolarHBondContact O-CB 3.31Å; D124-A128 PolarHBondContact O-N 3.1Å; I125-A128 PolarHBondContact O-N 3.25Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.06Å; A128-I131 PolarHBondContact O-N 3.32Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 2.94Å
129	R	97	Very high	92.8	Very high	99 Å²	99	86.1 Å²	86.1	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-60.7	-36.4	176.2	-70.9	-173.4	63	-155.4	-7.5	113	L104 I125 L127 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.81Å; L104-R129 HydrophobicContact CD2-CG 4.41Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.28Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 3.43Å; L127-R129 PolarHBondContact O-N 3.06Å; R129-G133 PolarHBondContact O-N 3.21Å; R129-E134 HydrophobicContact CB-CB 4.4Å; R129-E134 IonicContact NE-OE2 3.97Å; R129-E134 PolarHBondContact NH2-O 3.32Å; R129-E134 PolarHBondContact O-N 3.04Å
130	R	96.6	Very high	92.5	Very high	149 Å²	149	85.2 Å²	85.2	56%	0.562	45%	0.448	S	S	*	.	H	α-helix	trans	-64.7	-43.2	177.8	-179.2	61	-178.1	108.3	-7.4	111.8	Q126 L127 A128 G133	Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.34Å; Q126-R130 PolarHBondContact O-N 3.21Å; L127-R130 WeakPolarHBondContact O-CB 3.28Å; L127-R130 PolarHBondContact O-N 3.31Å; L127-R130 VanDerWaalsContact O-N 3.12Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.06Å; R130-G133 PolarHBondContact O-N 3.04Å
131	I	95.9	Very high	92.2	Very high	127 Å²	127	86.3 Å²	86.3	65%	0.651	45%	0.454	S	S	*	.	H	α-helix	trans	-69.2	-39	179.7	-66.9	166.6	0	0	0	110.4	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.91Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.1Å; A128-I131 PolarHBondContact O-N 3.32Å; I131-G133 PolarHBondContact O-N 3.48Å
132	R	95.5	Very high	91.8	Very high	84 Å²	84	87 Å²	87	32%	0.317	46%	0.46	S	S	.	.	H	α-helix	trans	-66	-14.6	174.8	-70.1	-175.8	179.3	-163.5	-8.2	114.7	G103 D107 A128 E134	G103-R132 PolarHBondContact O-NH2 3.49Å; D107-R132 VanDerWaalsContact CG-NH2 3.27Å; D107-R132 IonicContact OD1-NH2 3.42Å; D107-R132 IonicContact OD2-CZ 3.61Å; D107-R132 IonicContact OD2-NE 2.75Å; D107-R132 PolarHBondContact OD2-NE 3.31Å; D107-R132 IonicContact OD2-NH2 3.56Å; D107-R132 PolarHBondContact OD2-NH2 3.11Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 2.94Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.46Å; R132-E134 IonicContact NH1-OE1 2.71Å
133	G	94.6	Very high	91.3	Very high	56 Å²	56	86.5 Å²	86.5	58%	0.577	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	16.9	-174.1	0	0	0	0	0	114.1	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.21Å; R130-G133 PolarHBondContact O-N 3.04Å; I131-G133 PolarHBondContact O-N 3.48Å; G133-R135 VanDerWaalsContact C-N 3.32Å
134	E	89.8	Confident	90.8	Very high	61 Å²	61	84.4 Å²	84.4	29%	0.285	45%	0.445	S	S	.	.			trans	-90	4.2	-178.9	-62.6	172.3	-173.9	0	0	113.4	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.42Å; Y100-E134 PolarHBondContact OH-OE2 3.43Å; R129-E134 HydrophobicContact CB-CB 4.4Å; R129-E134 IonicContact NE-OE2 3.97Å; R129-E134 PolarHBondContact NH2-O 3.32Å; R129-E134 PolarHBondContact O-N 3.04Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.46Å; R132-E134 IonicContact NH1-OE1 2.71Å
135	R	71.3	Confident	90.2	Very high	115 Å²	115	91 Å²	91	43%	0.434	48%	0.48	S	S	.	.			trans	-88.2	114.8	170.6	-108.1	-178.8	167.3	158.8	-6.5	108.3	Q126 G133	Q126-R135 PolarHBondContact O-NH1 3.25Å; G133-R135 VanDerWaalsContact C-N 3.32Å
136	A	53.7	Low	89.6	Confident	170 Å²	170	94.3 Å²	94.3	100%	1.405	50%	0.498	S	S	*	.			trans	-64.1	0	148.1	0	0	0	0	0	109.2

Retrieved 136 of 136 residues in 32.6 ms (Link to these results)

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