X6RGF2_HUMAN Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession X6RGF2, Species HUMAN (Homo sapiens, Human), Gene USP54, Length 143 aa.

						>X6RGF2_HUMAN|X6RGF2|USP54
MSWKRNYFSGGRGSVQGMFAPRSSTSIAPSKGLSNEPGQNSCFLNSALQVLWHLDIFRRSFRQLTTHKCMGDSCIFCALKGIFNQFQCSSEKVLPSDTLRSALAKTFQDEQRFQLGIMDDAAECFLFFRVTDDRAKQSELYLV
					

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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	35.5	Very low	39.7	Very low	229 Å²	229	170.2 Å²	170.2	100%	1.128	88%	0.876	S	S	*	*				0	124.9	0	-68	-159.5	-179.4	0	0	108.7
2	S	42.4	Very low	40	Very low	112 Å²	112	178.3 Å²	178.3	78%	0.783	89%	0.887	S	S	*	*			trans	-73.1	123.1	-173.9	179.7	0	0	0	0	110.7	K4	S2-K4 PolarHBondContact O-N 3.34Å
3	W	37.5	Very low	39.7	Very low	250 Å²	250	169.2 Å²	169.2	95%	0.947	87%	0.867	S	S	*	*			trans	-89.7	93.5	173.1	-75.6	35.9	0	0	0	107.8
4	K	38.8	Very low	40.3	Very low	199 Å²	199	165.6 Å²	165.6	87%	0.865	86%	0.864	S	S	*	*			trans	-70.3	124.8	-179.2	-130.4	171.9	-175.4	172.9	0	109.5	S2	S2-K4 PolarHBondContact O-N 3.34Å
5	R	46.3	Very low	40.7	Very low	226 Å²	226	162.5 Å²	162.5	85%	0.853	86%	0.855	S	S	*	*			trans	-63.3	132.3	165.1	-162	157.9	-171.9	132.2	-2.5	109.2
6	N	39.4	Very low	40.9	Very low	144 Å²	144	164.9 Å²	164.9	77%	0.77	86%	0.86	S	S	*	*			trans	158.6	103	145.6	-81.8	-5.2	0	0	0	110.6
7	Y	48.9	Very low	41.1	Very low	220 Å²	220	159.4 Å²	159.4	86%	0.863	85%	0.852	S	S	*	*			trans	-131.5	148.6	148.4	-90.2	-87.5	0	0	0	107.3
8	F	40	Very low	41.2	Very low	204 Å²	204	160.2 Å²	160.2	90%	0.895	85%	0.853	S	S	*	*			trans	93.3	68.5	-174	-49.7	-65.4	0	0	0	116.1
9	S	40.3	Very low	41.6	Very low	132 Å²	132	161.5 Å²	161.5	92%	0.923	85%	0.851	S	S	*	*			trans	-90.4	127.7	135.5	-71	0	0	0	0	108.3
10	G	35	Very low	41.7	Very low	79 Å²	79	157.9 Å²	157.9	81%	0.814	85%	0.845	S	S	*	*			trans	-177.6	98	175.9	0	0	0	0	0	113.8
11	G	33	Very low	42	Very low	77 Å²	77	156.1 Å²	156.1	79%	0.794	84%	0.842	S	S	*	*			trans	74	105.3	143	0	0	0	0	0	119.1	G13	G11-G13 PolarHBondContact O-N 3.4Å
12	R	43.5	Very low	42.8	Very low	267 Å²	267	156.3 Å²	156.3	100%	1.008	83%	0.83	S	S	*	*			trans	-65	106.3	153.6	-73.1	-179.1	177.5	-167.1	-0.9	108.8
13	G	35.6	Very low	43.1	Very low	61 Å²	61	154.8 Å²	154.8	63%	0.629	82%	0.819	S	S	*	*			trans	-137	115.8	169.4	0	0	0	0	0	109.3	G11 V15	G11-G13 PolarHBondContact O-N 3.4Å; G13-V15 PolarHBondContact O-N 3.34Å; G13-V15 VanDerWaalsContact O-N 3.08Å
14	S	48	Very low	43.7	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	81%	0.808	S	S	*	*			trans	-69.2	98	177.9	55.9	0	0	0	0	110.7
15	V	46.5	Very low	44.3	Very low	120 Å²	120	143.3 Å²	143.3	73%	0.727	80%	0.798	S	S	*	*			trans	-108.3	53.1	163.9	-68.7	0	0	0	0	109.7	G13 G17	G13-V15 PolarHBondContact O-N 3.34Å; G13-V15 VanDerWaalsContact O-N 3.08Å; V15-G17 VanDerWaalsContact C-N 3.3Å; V15-G17 PolarHBondContact O-N 3.26Å; V15-G17 VanDerWaalsContact O-N 3.09Å
16	Q	43.3	Very low	44.7	Very low	200 Å²	200	135.3 Å²	135.3	94%	0.935	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	76.3	176.9	-163.1	151.9	2.5	0	0	108.6
17	G	44	Very low	46	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.3	-11.1	179.7	0	0	0	0	0	118	V15	V15-G17 VanDerWaalsContact C-N 3.3Å; V15-G17 PolarHBondContact O-N 3.26Å; V15-G17 VanDerWaalsContact O-N 3.09Å
18	M	44.1	Very low	47.3	Very low	175 Å²	175	124.4 Å²	124.4	86%	0.862	73%	0.733	S	S	*	*	S	Bend	trans	-117.3	3.5	-173.9	-62.4	-173.4	79.1	0	0	115.4
19	F	48.5	Very low	49.1	Very low	185 Å²	185	117.8 Å²	117.8	81%	0.811	71%	0.71	S	S	*	*			trans	-119.9	60.7	173.8	-67.4	-82.6	0	0	0	110.2	P21	F19-P21 VanDerWaalsContact O-CD 3.25Å; F19-P21 WeakPolarHBondContact O-CD 3.49Å
20	A	44.1	Very low	51.2	Low	89 Å²	89	116.4 Å²	116.4	74%	0.736	70%	0.7	S	S	*	*			trans	-63	116.4	151	0	0	0	0	0	105.7	R22	A20-R22 PolarHBondContact O-N 3.32Å; A20-R22 VanDerWaalsContact O-N 3.09Å
21	P	47.1	Very low	53.9	Low	120 Å²	120	113.8 Å²	113.8	78%	0.779	67%	0.667	S	S	*	*			trans	-56.7	124.2	177.2	21	-28.6	0	0	0	107.2	F19 S23	F19-P21 VanDerWaalsContact O-CD 3.25Å; F19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-S23 PolarHBondContact O-N 3.03Å
22	R	52.4	Low	56.8	Low	234 Å²	234	111.7 Å²	111.7	88%	0.883	65%	0.645	S	S	*	*			trans	-45.1	132.6	165.4	-74.6	-175.2	162.3	-144.6	-3.4	106.8	A20 S24	A20-R22 PolarHBondContact O-N 3.32Å; A20-R22 VanDerWaalsContact O-N 3.09Å; R22-S24 PolarHBondContact O-N 3.01Å
23	S	47.9	Very low	59.2	Low	79 Å²	79	100.2 Å²	100.2	55%	0.552	60%	0.603	S	S	*	*			trans	-36.2	117	-177.2	57.3	0	0	0	0	111	P21 T25 S26	P21-S23 PolarHBondContact O-N 3.03Å; S23-T25 WeakPolarHBondContact CB-OG1 3.44Å; S23-T25 PolarHBondContact O-N 2.64Å; S23-T25 PolarHBondContact OG-OG1 2.72Å; S23-S26 PolarHBondContact O-N 3.28Å
24	S	51.7	Low	62	Low	102 Å²	102	98.5 Å²	98.5	71%	0.713	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-61.6	1.6	-179.7	50.2	0	0	0	0	113.8	R22 S26	R22-S24 PolarHBondContact O-N 3.01Å; S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.02Å
25	T	51.7	Low	64	Low	106 Å²	106	96 Å²	96	65%	0.65	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-72.5	-14.6	176.4	52.7	0	0	0	0	114.1	S23	S23-T25 WeakPolarHBondContact CB-OG1 3.44Å; S23-T25 PolarHBondContact O-N 2.64Å; S23-T25 PolarHBondContact OG-OG1 2.72Å
26	S	54.7	Low	66	Low	59 Å²	59	96.1 Å²	96.1	41%	0.413	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-94.8	-13.7	180	87.6	0	0	0	0	114.6	S23 S24 A28	S23-S26 PolarHBondContact O-N 3.28Å; S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.02Å; S26-A28 PolarHBondContact O-N 3.34Å
27	I	66.6	Low	67.8	Low	130 Å²	130	92.6 Å²	92.6	67%	0.667	55%	0.546	S	S	*	.	S	Bend	trans	-88	114.4	-175.7	-57	174.3	0	0	0	108.1
28	A	75.6	Confident	69.6	Low	5 Å²	5	91.7 Å²	91.7	4%	0.041	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-63.9	141.7	174.4	0	0	0	0	0	110.5	S26 S30 W52	S26-A28 PolarHBondContact O-N 3.34Å; A28-S30 PolarHBondContact O-N 3.29Å; A28-W52 HydrophobicContact CB-CZ2 4.25Å
29	P	78.7	Confident	71.6	Confident	65 Å²	65	85.8 Å²	85.8	42%	0.422	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58.6	124.9	172.2	23.2	-31.3	0	0	0	109	W52	P29-W52 HydrophobicContact CG-CZ2 3.99Å; P29-W52 PolarHBondContact O-NE1 3.35Å
30	S	83.4	Confident	73.5	Confident	102 Å²	102	79.8 Å²	79.8	71%	0.713	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-83.4	123.2	179.5	58.4	0	0	0	0	109.9	A28	A28-S30 PolarHBondContact O-N 3.29Å
31	K	92.1	Very high	75.7	Confident	25 Å²	25	75.7 Å²	75.7	11%	0.109	45%	0.45	C	S	.	.			trans	-132.6	147.8	172.8	-64.4	176.9	179.8	178.1	0	109.8	Q49 Q85 F86 S89 E91 L94	K31-Q49 PolarHBondContact O-NE2 3.48Å; K31-Q85 PolarHBondContact NZ-O 3.21Å; K31-F86 HydrophobicContact CB-CD1 3.93Å; K31-F86 HydrophobicContact CB-CE1 3.91Å; K31-F86 HydrophobicContact CD-CD1 4.26Å; K31-F86 VanDerWaalsContact CE-O 3.26Å; K31-F86 WeakPolarHBondContact CE-O 3.29Å; K31-F86 HydrophobicContact CG-CD1 4.46Å; K31-F86 PolarHBondContact NZ-O 3.32Å; K31-S89 WeakPolarHBondContact CE-O 3.12Å; K31-S89 VanDerWaalsContact NZ-C 3.34Å; K31-S89 PolarHBondContact NZ-O 3.18Å; K31-E91 VanDerWaalsContact CD-O 3.31Å; K31-E91 WeakPolarHBondContact CD-O 3.24Å; K31-E91 WeakPolarHBondContact CE-O 3.45Å; K31-L94 HydrophobicContact CB-CD1 4.34Å; K31-L94 HydrophobicContact CB-CG 4.47Å; K31-L94 HydrophobicContact CD-CD1 3.69Å; K31-L94 HydrophobicContact CD-CD2 4.42Å; K31-L94 HydrophobicContact CD-CG 4.07Å
32	G	93.3	Very high	77.8	Confident	33 Å²	33	72.3 Å²	72.3	34%	0.34	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	162.9	172.2	0	0	0	0	0	111.8	K92 V93 L94	G32-K92 PolarHBondContact N-O 3.2Å; G32-V93 CarbonylContact O-C 3.11Å; G32-V93 WeakPolarHBondContact O-CA 2.98Å; G32-L94 PolarHBondContact O-N 3.09Å
33	L	94.1	Very high	79.5	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.4	168.7	-68.7	167.6	0	0	0	108.4	N45 L48 Q49 I82 F86 L94	L33-N45 HydrophobicContact CB-CB 4.01Å; L33-N45 VanDerWaalsContact CB-CG 3.47Å; L33-N45 HydrophobicContact CD1-CB 3.77Å; L33-L48 HydrophobicContact CD1-CB 3.72Å; L33-L48 HydrophobicContact CD1-CD1 3.78Å; L33-L48 HydrophobicContact CD1-CG 4.44Å; L33-Q49 HydrophobicContact CD1-CG 4.29Å; L33-I82 HydrophobicContact CD2-CD1 4.15Å; L33-I82 HydrophobicContact CD2-CG1 4.35Å; L33-F86 HydrophobicContact CD1-CZ 4.07Å; L33-F86 HydrophobicContact CD2-CE2 4.11Å; L33-F86 HydrophobicContact CD2-CZ 3.67Å; L33-F86 HydrophobicContact CG-CZ 3.91Å; L33-L94 CarbonylContact C-O 3.6Å; L33-L94 VanDerWaalsContact CA-O 3.29Å; L33-L94 WeakPolarHBondContact CA-O 3.36Å; L33-L94 HydrophobicContact CD2-CB 4.1Å
34	S	93.4	Very high	81.5	Confident	25 Å²	25	57.8 Å²	57.8	18%	0.175	36%	0.362	C	S	.	.			trans	-67	149.3	176.8	57.5	0	0	0	0	110.8	N45 L94 P95	S34-N45 PolarHBondContact O-ND2 3.35Å; S34-L94 PolarHBondContact N-O 3.18Å; S34-P95 WeakPolarHBondContact OG-CA 3.44Å
35	N	90.9	Very high	83.5	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	33%	0.332	S	S	.	.			trans	-155.6	88.4	171.6	-177.6	52.8	0	0	0	107.6	S41	N35-S41 PolarHBondContact OD1-N 3.16Å
36	E	87.8	Confident	85.3	Confident	121 Å²	121	51.8 Å²	51.8	57%	0.565	32%	0.323	S	S	*	.			trans	-69.4	154.2	177.7	-64.2	-55.9	136.3	0	0	110.7	G38 Q39	E36-G38 PolarHBondContact O-N 3.27Å; E36-Q39 HydrophobicContact CB-CG 4.05Å; E36-Q39 WeakPolarHBondContact O-CB 3.33Å; E36-Q39 PolarHBondContact O-N 3.12Å
37	P	81.4	Confident	86.9	Confident	126 Å²	126	49 Å²	49	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	129.4	176.8	-26.5	35	0	0	0	111.9
38	G	82.9	Confident	88.1	Confident	53 Å²	53	42.8 Å²	42.8	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-9.5	-179.5	0	0	0	0	0	115.5	E36 N40 G116	E36-G38 PolarHBondContact O-N 3.27Å; G38-N40 VanDerWaalsContact C-N 3.35Å; G38-G116 WeakPolarHBondContact O-CA 3.5Å
39	Q	86.3	Confident	88.9	Confident	51 Å²	51	44.9 Å²	44.9	24%	0.238	28%	0.281	C	S	.	.			trans	-73.1	-29.8	173.3	-67.8	-168.2	-44.9	0	0	112.8	E36 S41 D97	E36-Q39 HydrophobicContact CB-CG 4.05Å; E36-Q39 WeakPolarHBondContact O-CB 3.33Å; E36-Q39 PolarHBondContact O-N 3.12Å; Q39-S41 PolarHBondContact O-N 3.38Å; Q39-S41 PolarHBondContact O-OG 3.13Å; Q39-D97 PolarHBondContact NE2-OD1 3.46Å
40	N	88	Confident	89.4	Confident	59 Å²	59	45.1 Å²	45.1	32%	0.316	28%	0.281	S	S	.	.			trans	49.1	35.4	179.2	-65.5	-31	0	0	0	113.3	G38 C42 F43 G116 M118	G38-N40 VanDerWaalsContact C-N 3.35Å; N40-C42 VanDerWaalsContact C-N 3.34Å; N40-F43 WeakPolarHBondContact O-CD1 3.45Å; N40-F43 WeakPolarHBondContact O-CE1 3.39Å; N40-G116 PolarHBondContact ND2-O 3.46Å; N40-M118 HydrophobicContact CB-CB 4.03Å
41	S	90.4	Very high	89.7	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.014	25%	0.248	C	C	.	.			trans	-92	8.3	-176	-64.9	0	0	0	0	113.1	N35 Q39 F43 L44 N45 R100	N35-S41 PolarHBondContact OD1-N 3.16Å; Q39-S41 PolarHBondContact O-N 3.38Å; Q39-S41 PolarHBondContact O-OG 3.13Å; S41-F43 VanDerWaalsContact C-N 3.26Å; S41-F43 PolarHBondContact O-N 2.74Å; S41-L44 PolarHBondContact O-N 3.4Å; S41-L44 VanDerWaalsContact O-N 3.15Å; S41-N45 WeakPolarHBondContact O-CB 3.49Å; S41-N45 VanDerWaalsContact O-CG 3.29Å; S41-N45 PolarHBondContact O-N 2.73Å; S41-N45 PolarHBondContact O-OD1 3.37Å; S41-R100 VanDerWaalsContact OG-CD 3.29Å; S41-R100 WeakPolarHBondContact OG-CD 3.37Å; S41-R100 WeakPolarHBondContact OG-CG 3.48Å; S41-R100 PolarHBondContact OG-NE 3.21Å
42	C	89.6	Confident	89.7	Confident	50 Å²	50	39.4 Å²	39.4	34%	0.338	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-33.9	-178.9	58.4	0	0	0	0	113.5	N40 N45 S46	N40-C42 VanDerWaalsContact C-N 3.34Å; C42-N45 PolarHBondContact O-N 2.99Å; C42-S46 WeakPolarHBondContact O-CB 3.02Å; C42-S46 PolarHBondContact O-N 2.95Å; C42-S46 PolarHBondContact O-OG 3.37Å
43	F	89.7	Confident	89.5	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-47.4	175.7	73.1	-88.5	0	0	0	111.3	N40 S41 S46 A47 F113 D119 A121 C124	N40-F43 WeakPolarHBondContact O-CD1 3.45Å; N40-F43 WeakPolarHBondContact O-CE1 3.39Å; S41-F43 VanDerWaalsContact C-N 3.26Å; S41-F43 PolarHBondContact O-N 2.74Å; F43-S46 PolarHBondContact O-N 3.35Å; F43-A47 PolarHBondContact O-N 3.03Å; F43-F113 HydrophobicContact CD2-CD1 4.36Å; F43-F113 HydrophobicContact CD2-CE1 4.39Å; F43-F113 AromaticContact CE2-CD1 3.45Å; F43-F113 HydrophobicContact CE2-CD1 3.45Å; F43-F113 VanDerWaalsContact CE2-CD1 3.45Å; F43-F113 AromaticContact CE2-CE1 3.85Å; F43-F113 HydrophobicContact CE2-CE1 3.85Å; F43-F113 AromaticContact CZ-CD1 3.86Å; F43-F113 HydrophobicContact CZ-CD1 3.86Å; F43-D119 WeakPolarHBondContact CB-O 3.37Å; F43-D119 HydrophobicContact CD1-CB 4.34Å; F43-D119 HydrophobicContact CD2-CB 4.18Å; F43-D119 HydrophobicContact CE1-CB 4.2Å; F43-D119 HydrophobicContact CE2-CB 4.08Å; F43-D119 HydrophobicContact CG-CB 4.34Å; F43-D119 WeakPolarHBondContact CG-O 3.3Å; F43-D119 HydrophobicContact CZ-CB 4.08Å; F43-A121 HydrophobicContact CB-CB 4.29Å; F43-C124 HydrophobicContact CD2-CB 4.19Å
44	L	89.9	Confident	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-43	177.7	175.5	61	0	0	0	110.7	S41 S46 A47 L48 L99 R100 L103 F128	S41-L44 PolarHBondContact O-N 3.4Å; S41-L44 VanDerWaalsContact O-N 3.15Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.16Å; L44-A47 PolarHBondContact O-N 2.8Å; L44-L48 HydrophobicContact CD1-CD1 4.44Å; L44-L48 HydrophobicContact CD1-CG 4.26Å; L44-L48 HydrophobicContact CG-CD1 4.15Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.37Å; L44-L48 WeakPolarHBondContact O-CG 3.13Å; L44-L48 PolarHBondContact O-N 2.91Å; L44-L99 HydrophobicContact CD1-CD2 3.89Å; L44-L99 HydrophobicContact CD1-CG 4.25Å; L44-L99 HydrophobicContact CD2-CB 4.42Å; L44-L99 HydrophobicContact CD2-CD2 4.45Å; L44-L99 HydrophobicContact CD2-CG 4.27Å; L44-R100 HydrophobicContact CD2-CB 3.82Å; L44-R100 HydrophobicContact CD2-CG 4.48Å; L44-L103 HydrophobicContact CD1-CD1 3.54Å; L44-L103 HydrophobicContact CD2-CD1 4.1Å; L44-L103 HydrophobicContact CG-CD1 4.4Å; L44-F128 HydrophobicContact CD1-CZ 4.38Å
45	N	92.3	Very high	88.8	Confident	14 Å²	14	45.2 Å²	45.2	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-41.5	179	-71.3	-5.5	0	0	0	110.8	L33 S34 S41 C42 A47 L48 Q49 S96	L33-N45 HydrophobicContact CB-CB 4.01Å; L33-N45 VanDerWaalsContact CB-CG 3.47Å; L33-N45 HydrophobicContact CD1-CB 3.77Å; S34-N45 PolarHBondContact O-ND2 3.35Å; S41-N45 WeakPolarHBondContact O-CB 3.49Å; S41-N45 VanDerWaalsContact O-CG 3.29Å; S41-N45 PolarHBondContact O-N 2.73Å; S41-N45 PolarHBondContact O-OD1 3.37Å; C42-N45 PolarHBondContact O-N 2.99Å; N45-A47 VanDerWaalsContact C-N 3.35Å; N45-A47 PolarHBondContact O-N 3.47Å; N45-L48 PolarHBondContact O-N 3.46Å; N45-Q49 WeakPolarHBondContact O-CB 3.14Å; N45-Q49 WeakPolarHBondContact O-CG 3.37Å; N45-Q49 PolarHBondContact O-N 3.05Å; N45-S96 WeakPolarHBondContact OD1-CB 3.29Å; N45-S96 PolarHBondContact OD1-OG 3.49Å
46	S	90.1	Very high	88.5	Confident	67 Å²	67	48.4 Å²	48.4	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-43	175.3	-57.1	0	0	0	0	111.4	C42 F43 L44 Q49 V50	C42-S46 WeakPolarHBondContact O-CB 3.02Å; C42-S46 PolarHBondContact O-N 2.95Å; C42-S46 PolarHBondContact O-OG 3.37Å; F43-S46 PolarHBondContact O-N 3.35Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.16Å; S46-Q49 PolarHBondContact O-N 3.12Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.45Å
47	A	89.5	Confident	88.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-45.3	176.3	0	0	0	0	0	113	F43 L44 N45 Q49 V50 L51 C124 F125 F128	F43-A47 PolarHBondContact O-N 3.03Å; L44-A47 PolarHBondContact O-N 2.8Å; N45-A47 VanDerWaalsContact C-N 3.35Å; N45-A47 PolarHBondContact O-N 3.47Å; A47-Q49 VanDerWaalsContact C-N 3.34Å; A47-Q49 PolarHBondContact O-N 2.96Å; A47-V50 PolarHBondContact O-N 2.87Å; A47-L51 WeakPolarHBondContact O-CG 3.41Å; A47-L51 PolarHBondContact O-N 3.04Å; A47-C124 HydrophobicContact CB-CB 4.27Å; A47-F125 VanDerWaalsContact CA-CZ 3.44Å; A47-F125 HydrophobicContact CB-CD1 4.22Å; A47-F125 HydrophobicContact CB-CE1 3.85Å; A47-F125 HydrophobicContact CB-CE2 4.22Å; A47-F125 HydrophobicContact CB-CZ 3.86Å; A47-F128 HydrophobicContact CB-CE2 4.35Å
48	L	91.1	Very high	88.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-42.5	176.8	-83.4	175.6	0	0	0	112.7	L33 L44 N45 V50 L51 W52 L79 I82 F83 L99	L33-L48 HydrophobicContact CD1-CB 3.72Å; L33-L48 HydrophobicContact CD1-CD1 3.78Å; L33-L48 HydrophobicContact CD1-CG 4.44Å; L44-L48 HydrophobicContact CD1-CD1 4.44Å; L44-L48 HydrophobicContact CD1-CG 4.26Å; L44-L48 HydrophobicContact CG-CD1 4.15Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.37Å; L44-L48 WeakPolarHBondContact O-CG 3.13Å; L44-L48 PolarHBondContact O-N 2.91Å; N45-L48 PolarHBondContact O-N 3.46Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.32Å; L48-L51 PolarHBondContact O-N 2.78Å; L48-W52 WeakPolarHBondContact O-CB 3.32Å; L48-W52 PolarHBondContact O-N 3.35Å; L48-L79 HydrophobicContact CD2-CD1 3.48Å; L48-L79 VanDerWaalsContact CD2-CD1 3.48Å; L48-I82 HydrophobicContact CD2-CG2 3.95Å; L48-F83 HydrophobicContact CD2-CE1 4.18Å; L48-L99 HydrophobicContact CD1-CD2 3.95Å; L48-L99 HydrophobicContact CD2-CD2 3.57Å; L48-L99 HydrophobicContact CG-CD2 3.98Å
49	Q	92.1	Very high	88.8	Confident	49 Å²	49	42.4 Å²	42.4	23%	0.229	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-43.7	178	-72.1	-67.3	-25.3	0	0	111	K31 L33 N45 S46 A47 H53	K31-Q49 PolarHBondContact O-NE2 3.48Å; L33-Q49 HydrophobicContact CD1-CG 4.29Å; N45-Q49 WeakPolarHBondContact O-CB 3.14Å; N45-Q49 WeakPolarHBondContact O-CG 3.37Å; N45-Q49 PolarHBondContact O-N 3.05Å; S46-Q49 PolarHBondContact O-N 3.12Å; A47-Q49 VanDerWaalsContact C-N 3.34Å; A47-Q49 PolarHBondContact O-N 2.96Å; Q49-H53 PolarHBondContact O-N 2.96Å; Q49-H53 PolarHBondContact O-ND1 3.18Å; Q49-H53 PolarHBondContact OE1-CE1 3.25Å
50	V	90.1	Very high	88.8	Confident	70 Å²	70	42.1 Å²	42.1	42%	0.424	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-51.8	175.9	171.2	0	0	0	0	110.6	S46 A47 L48 W52 H53 L54 F125	S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.45Å; A47-V50 PolarHBondContact O-N 2.87Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.32Å; V50-W52 VanDerWaalsContact C-N 3.32Å; V50-W52 PolarHBondContact O-N 3.26Å; V50-H53 PolarHBondContact O-N 3.03Å; V50-L54 HydrophobicContact CG1-CD1 3.97Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.48Å; V50-L54 PolarHBondContact O-N 3.47Å; V50-F125 HydrophobicContact CB-CE1 3.76Å; V50-F125 HydrophobicContact CB-CZ 3.71Å; V50-F125 HydrophobicContact CG1-CE1 3.77Å; V50-F125 HydrophobicContact CG1-CZ 3.96Å; V50-F125 HydrophobicContact CG2-CE1 4.42Å; V50-F125 HydrophobicContact CG2-CZ 3.86Å
51	L	88.8	Confident	88.7	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-40.2	-178.7	-68.5	175.5	0	0	0	113	A47 L48 L54 F57 F83 F125 F128	A47-L51 WeakPolarHBondContact O-CG 3.41Å; A47-L51 PolarHBondContact O-N 3.04Å; L48-L51 PolarHBondContact O-N 2.78Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-F57 HydrophobicContact CB-CD1 3.96Å; L51-F57 HydrophobicContact CB-CE1 3.88Å; L51-F57 HydrophobicContact CD1-CE1 4.34Å; L51-F57 HydrophobicContact CD1-CZ 4.43Å; L51-F57 HydrophobicContact CD2-CD1 4.11Å; L51-F57 HydrophobicContact CD2-CD2 4.35Å; L51-F57 HydrophobicContact CD2-CE1 4.01Å; L51-F57 HydrophobicContact CD2-CE2 4.23Å; L51-F57 HydrophobicContact CD2-CG 4.27Å; L51-F57 HydrophobicContact CD2-CZ 4.06Å; L51-F57 HydrophobicContact CG-CE1 4.31Å; L51-F57 WeakPolarHBondContact O-CD1 3.39Å; L51-F83 HydrophobicContact CB-CZ 3.92Å; L51-F125 HydrophobicContact CG-CE1 4.47Å; L51-F128 HydrophobicContact CD1-CB 4.44Å; L51-F128 HydrophobicContact CD1-CD1 4.1Å; L51-F128 HydrophobicContact CD1-CD2 3.52Å; L51-F128 HydrophobicContact CD1-CE1 4.22Å; L51-F128 HydrophobicContact CD1-CE2 3.63Å; L51-F128 HydrophobicContact CD1-CG 3.76Å; L51-F128 HydrophobicContact CD1-CZ 3.99Å
52	W	91.3	Very high	88.6	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-38.3	178.8	176.9	-115.1	0	0	0	112.8	A28 P29 L48 V50 R58 F83 F86 Q87	A28-W52 HydrophobicContact CB-CZ2 4.25Å; P29-W52 HydrophobicContact CG-CZ2 3.99Å; P29-W52 PolarHBondContact O-NE1 3.35Å; L48-W52 WeakPolarHBondContact O-CB 3.32Å; L48-W52 PolarHBondContact O-N 3.35Å; V50-W52 VanDerWaalsContact C-N 3.32Å; V50-W52 PolarHBondContact O-N 3.26Å; W52-R58 HydrophobicContact CE3-CG 3.92Å; W52-R58 HydrophobicContact CH2-CG 4.24Å; W52-R58 HydrophobicContact CZ3-CG 3.68Å; W52-R58 WeakPolarHBondContact O-CD 3.26Å; W52-F83 HydrophobicContact CB-CE1 4.32Å; W52-F83 HydrophobicContact CB-CZ 4.4Å; W52-F83 HydrophobicContact CE3-CB 4.3Å; W52-F83 HydrophobicContact CE3-CD1 4.05Å; W52-F83 AromaticContact CE3-CD2 3.89Å; W52-F83 HydrophobicContact CE3-CD2 3.89Å; W52-F83 HydrophobicContact CE3-CE1 4.32Å; W52-F83 HydrophobicContact CE3-CE2 4.16Å; W52-F83 AromaticContact CE3-CG 3.83Å; W52-F83 HydrophobicContact CE3-CG 3.83Å; W52-F83 HydrophobicContact CE3-CZ 4.36Å; W52-F83 HydrophobicContact CZ3-CB 4.08Å; W52-F83 HydrophobicContact CZ3-CD2 4.11Å; W52-F83 HydrophobicContact CZ3-CG 4.06Å; W52-F86 AromaticContact CD1-CD1 3.93Å; W52-F86 HydrophobicContact CD2-CB 3.7Å; W52-F86 HydrophobicContact CD2-CD1 4.38Å; W52-F86 HydrophobicContact CD2-CD2 4.21Å; W52-F86 AromaticContact CD2-CG 3.88Å; W52-F86 HydrophobicContact CD2-CG 3.88Å; W52-F86 VanDerWaalsContact CE2-CB 3.49Å; W52-F86 AromaticContact CE2-CG 3.96Å; W52-F86 HydrophobicContact CE3-CB 3.89Å; W52-F86 HydrophobicContact CE3-CD2 4.41Å; W52-F86 HydrophobicContact CE3-CG 4.32Å; W52-F86 HydrophobicContact CG-CB 4.4Å; W52-F86 HydrophobicContact CG-CD1 4.24Å; W52-F86 HydrophobicContact CG-CD2 4.26Å; W52-F86 HydrophobicContact CG-CG 4.08Å; W52-F86 HydrophobicContact CH2-CB 3.76Å; W52-F86 HydrophobicContact CZ2-CB 3.55Å; W52-F86 HydrophobicContact CZ2-CG 4.49Å; W52-F86 HydrophobicContact CZ3-CB 3.91Å; W52-F86 AromaticContact NE1-CD1 3.86Å; W52-Q87 HydrophobicContact CH2-CB 3.92Å
53	H	90	Very high	88.4	Confident	85 Å²	85	52.3 Å²	52.3	39%	0.394	25%	0.254	S	S	.	.	H	α-helix	trans	-85.3	-10.3	-178.5	-67.6	91.2	0	0	0	113.4	Q49 V50 D55	Q49-H53 PolarHBondContact O-N 2.96Å; Q49-H53 PolarHBondContact O-ND1 3.18Å; Q49-H53 PolarHBondContact OE1-CE1 3.25Å; V50-H53 PolarHBondContact O-N 3.03Å; H53-D55 PolarHBondContact O-N 3.46Å; H53-D55 VanDerWaalsContact O-N 3.15Å
54	L	89.4	Confident	88.2	Confident	79 Å²	79	53.6 Å²	53.6	41%	0.414	26%	0.261	S	S	.	.			trans	-74.1	98.4	167.1	-72.9	173.7	0	0	0	110	V50 L51 I56 F57 R58	V50-L54 HydrophobicContact CG1-CD1 3.97Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.48Å; V50-L54 PolarHBondContact O-N 3.47Å; L51-L54 PolarHBondContact O-N 2.93Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.9Å; L54-F57 HydrophobicContact CB-CB 3.87Å; L54-F57 PolarHBondContact O-N 3.46Å; L54-F57 VanDerWaalsContact O-N 3.12Å; L54-R58 WeakPolarHBondContact O-CB 3.5Å; L54-R58 PolarHBondContact O-N 3.48Å
55	D	84.1	Confident	87.8	Confident	42 Å²	42	59.2 Å²	59.2	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-55.6	-43.5	-173	-170.7	31.3	0	0	0	113.2	H53 R58 R59	H53-D55 PolarHBondContact O-N 3.46Å; H53-D55 VanDerWaalsContact O-N 3.15Å; D55-R58 PolarHBondContact O-N 3.48Å; D55-R58 IonicContact OD1-CZ 3.65Å; D55-R58 IonicContact OD1-NE 3.77Å; D55-R58 IonicContact OD1-NH2 2.73Å; D55-R58 PolarHBondContact OD1-NH2 3.38Å; D55-R59 VanDerWaalsContact CG-NE 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.25Å; D55-R59 VanDerWaalsContact O-CG 3.3Å; D55-R59 WeakPolarHBondContact O-CG 3.45Å; D55-R59 PolarHBondContact O-N 3Å; D55-R59 IonicContact OD1-CZ 3.51Å; D55-R59 IonicContact OD1-NE 2.8Å; D55-R59 PolarHBondContact OD1-NE 3.26Å; D55-R59 IonicContact OD1-NH2 3.4Å; D55-R59 PolarHBondContact OD1-NH2 3.49Å; D55-R59 IonicContact OD2-CZ 3.15Å; D55-R59 IonicContact OD2-NE 3.16Å; D55-R59 PolarHBondContact OD2-NE 2.9Å; D55-R59 VanDerWaalsContact OD2-NE 3.16Å; D55-R59 IonicContact OD2-NH2 2.74Å; D55-R59 PolarHBondContact OD2-NH2 2.85Å
56	I	84.6	Confident	87.3	Confident	134 Å²	134	63 Å²	63	69%	0.687	32%	0.319	S	S	*	.	H	α-helix	trans	-61.6	-50.7	178.2	-60.7	173.2	0	0	0	110.1	L54 R58 R59 S60	L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.9Å; I56-R58 PolarHBondContact O-N 3.4Å; I56-R59 PolarHBondContact O-N 3Å; I56-S60 WeakPolarHBondContact O-CB 3.33Å; I56-S60 PolarHBondContact O-N 3.36Å; I56-S60 PolarHBondContact O-OG 2.99Å; I56-S60 VanDerWaalsContact O-OG 3.05Å
57	F	85.9	Confident	87	Confident	8 Å²	8	63 Å²	63	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-51.6	178.5	-178.3	-97.7	0	0	0	111.3	L51 L54 R59 S60 F61 L79 F83 L140 L142	L51-F57 HydrophobicContact CB-CD1 3.96Å; L51-F57 HydrophobicContact CB-CE1 3.88Å; L51-F57 HydrophobicContact CD1-CE1 4.34Å; L51-F57 HydrophobicContact CD1-CZ 4.43Å; L51-F57 HydrophobicContact CD2-CD1 4.11Å; L51-F57 HydrophobicContact CD2-CD2 4.35Å; L51-F57 HydrophobicContact CD2-CE1 4.01Å; L51-F57 HydrophobicContact CD2-CE2 4.23Å; L51-F57 HydrophobicContact CD2-CG 4.27Å; L51-F57 HydrophobicContact CD2-CZ 4.06Å; L51-F57 HydrophobicContact CG-CE1 4.31Å; L51-F57 WeakPolarHBondContact O-CD1 3.39Å; L54-F57 HydrophobicContact CB-CB 3.87Å; L54-F57 PolarHBondContact O-N 3.46Å; L54-F57 VanDerWaalsContact O-N 3.12Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 2.95Å; F57-S60 PolarHBondContact O-N 3.12Å; F57-F61 HydrophobicContact CD1-CB 4.47Å; F57-F61 HydrophobicContact CE1-CB 4.2Å; F57-F61 HydrophobicContact CE1-CG 4.32Å; F57-F61 HydrophobicContact CZ-CB 4.36Å; F57-F61 HydrophobicContact CZ-CD2 4.27Å; F57-F61 HydrophobicContact CZ-CG 4.33Å; F57-F61 WeakPolarHBondContact O-CB 3.14Å; F57-F61 PolarHBondContact O-N 3.17Å; F57-L79 HydrophobicContact CZ-CD2 4.28Å; F57-F83 AromaticContact CD1-CE2 3.87Å; F57-F83 HydrophobicContact CD1-CE2 3.87Å; F57-F83 HydrophobicContact CD1-CZ 4.09Å; F57-F83 AromaticContact CE1-CE2 3.59Å; F57-F83 HydrophobicContact CE1-CE2 3.59Å; F57-F83 AromaticContact CE1-CZ 3.69Å; F57-F83 HydrophobicContact CE1-CZ 3.69Å; F57-L140 HydrophobicContact CD2-CD2 3.84Å; F57-L140 HydrophobicContact CE2-CD1 4.12Å; F57-L140 HydrophobicContact CE2-CD2 4.12Å; F57-L142 HydrophobicContact CB-CD2 4.27Å; F57-L142 HydrophobicContact CD2-CD1 3.62Å; F57-L142 HydrophobicContact CD2-CD2 4.15Å; F57-L142 HydrophobicContact CD2-CG 4.11Å; F57-L142 HydrophobicContact CE2-CD1 3.96Å
58	R	87.3	Confident	86.7	Confident	37 Å²	37	71.5 Å²	71.5	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-56.6	-46.1	-179	179	-173.9	61	164	-4.6	111.9	W52 L54 D55 I56 R62	W52-R58 HydrophobicContact CE3-CG 3.92Å; W52-R58 HydrophobicContact CH2-CG 4.24Å; W52-R58 HydrophobicContact CZ3-CG 3.68Å; W52-R58 WeakPolarHBondContact O-CD 3.26Å; L54-R58 WeakPolarHBondContact O-CB 3.5Å; L54-R58 PolarHBondContact O-N 3.48Å; D55-R58 PolarHBondContact O-N 3.48Å; D55-R58 IonicContact OD1-CZ 3.65Å; D55-R58 IonicContact OD1-NE 3.77Å; D55-R58 IonicContact OD1-NH2 2.73Å; D55-R58 PolarHBondContact OD1-NH2 3.38Å; I56-R58 PolarHBondContact O-N 3.4Å; R58-R62 WeakPolarHBondContact O-CB 3.38Å; R58-R62 PolarHBondContact O-N 3.37Å
59	R	84.9	Confident	86.4	Confident	128 Å²	128	74.9 Å²	74.9	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-67.8	-48.7	-179.8	-71	-179.8	-166.6	-161.9	8.2	111.7	D55 I56 F57 R62 Q63	D55-R59 VanDerWaalsContact CG-NE 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.25Å; D55-R59 VanDerWaalsContact O-CG 3.3Å; D55-R59 WeakPolarHBondContact O-CG 3.45Å; D55-R59 PolarHBondContact O-N 3Å; D55-R59 IonicContact OD1-CZ 3.51Å; D55-R59 IonicContact OD1-NE 2.8Å; D55-R59 PolarHBondContact OD1-NE 3.26Å; D55-R59 IonicContact OD1-NH2 3.4Å; D55-R59 PolarHBondContact OD1-NH2 3.49Å; D55-R59 IonicContact OD2-CZ 3.15Å; D55-R59 IonicContact OD2-NE 3.16Å; D55-R59 PolarHBondContact OD2-NE 2.9Å; D55-R59 VanDerWaalsContact OD2-NE 3.16Å; D55-R59 IonicContact OD2-NH2 2.74Å; D55-R59 PolarHBondContact OD2-NH2 2.85Å; I56-R59 PolarHBondContact O-N 3Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 2.95Å; R59-R62 WeakPolarHBondContact O-CB 3.4Å; R59-R62 PolarHBondContact O-N 2.88Å; R59-Q63 PolarHBondContact O-N 3.05Å
60	S	86.3	Confident	86.1	Confident	45 Å²	45	78.3 Å²	78.3	32%	0.315	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-48.5	179.2	-61.7	0	0	0	0	111	I56 F57 R62 Q63 L64	I56-S60 WeakPolarHBondContact O-CB 3.33Å; I56-S60 PolarHBondContact O-N 3.36Å; I56-S60 PolarHBondContact O-OG 2.99Å; I56-S60 VanDerWaalsContact O-OG 3.05Å; F57-S60 PolarHBondContact O-N 3.12Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.3Å; S60-Q63 WeakPolarHBondContact O-CB 3.25Å; S60-Q63 PolarHBondContact O-N 3.34Å; S60-L64 PolarHBondContact O-N 3.09Å
61	F	86.4	Confident	86	Confident	9 Å²	9	77.1 Å²	77.1	4%	0.039	39%	0.39	C	S	.	.	H	α-helix	trans	-60.5	-36.2	177.6	-171.2	-107.1	0	0	0	111.8	F57 Q63 L64 F76 L79 K80 F83 L140	F57-F61 HydrophobicContact CD1-CB 4.47Å; F57-F61 HydrophobicContact CE1-CB 4.2Å; F57-F61 HydrophobicContact CE1-CG 4.32Å; F57-F61 HydrophobicContact CZ-CB 4.36Å; F57-F61 HydrophobicContact CZ-CD2 4.27Å; F57-F61 HydrophobicContact CZ-CG 4.33Å; F57-F61 WeakPolarHBondContact O-CB 3.14Å; F57-F61 PolarHBondContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.27Å; F61-Q63 PolarHBondContact O-N 3.48Å; F61-L64 HydrophobicContact CD2-CD1 4.33Å; F61-L64 PolarHBondContact O-N 2.92Å; F61-F76 HydrophobicContact CD2-CE2 4.34Å; F61-F76 AromaticContact CE2-CD2 3.7Å; F61-F76 HydrophobicContact CE2-CD2 3.7Å; F61-F76 AromaticContact CE2-CE2 3.54Å; F61-F76 HydrophobicContact CE2-CE2 3.54Å; F61-F76 HydrophobicContact CE2-CZ 4.33Å; F61-F76 HydrophobicContact CZ-CD2 4.05Å; F61-F76 HydrophobicContact CZ-CE2 4.01Å; F61-F76 HydrophobicContact CZ-CZ 4.47Å; F61-L79 HydrophobicContact CE1-CB 4.3Å; F61-L79 HydrophobicContact CE1-CD2 4.04Å; F61-L79 HydrophobicContact CE1-CG 3.89Å; F61-L79 HydrophobicContact CE2-CD2 4Å; F61-L79 HydrophobicContact CZ-CB 3.99Å; F61-L79 HydrophobicContact CZ-CD2 3.67Å; F61-L79 HydrophobicContact CZ-CG 3.85Å; F61-K80 HydrophobicContact CD1-CD 4.11Å; F61-K80 HydrophobicContact CE1-CB 4.4Å; F61-K80 HydrophobicContact CE1-CD 3.54Å; F61-K80 HydrophobicContact CE1-CG 3.67Å; F61-K80 HydrophobicContact CZ-CD 4.04Å; F61-K80 HydrophobicContact CZ-CG 3.76Å; F61-K80 VanDerWaalsContact O-CE 3.24Å; F61-K80 WeakPolarHBondContact O-CE 3.4Å; F61-K80 PolarHBondContact O-NZ 3.36Å; F61-F83 AromaticContact CD1-CD2 3.7Å; F61-F83 HydrophobicContact CD1-CD2 3.7Å; F61-F83 HydrophobicContact CD1-CE2 4.04Å; F61-F83 HydrophobicContact CD1-CG 4.5Å; F61-F83 HydrophobicContact CE1-CD2 4.21Å; F61-L140 HydrophobicContact CB-CD1 4.28Å; F61-L140 HydrophobicContact CD2-CD1 3.89Å
62	R	87.3	Confident	85.9	Confident	164 Å²	164	83.1 Å²	83.1	62%	0.619	42%	0.423	S	S	*	.	H	α-helix	trans	-59.3	-37.4	175	-165.3	177.7	90.5	178.8	5.9	112.4	R58 R59 S60 K80	R58-R62 WeakPolarHBondContact O-CB 3.38Å; R58-R62 PolarHBondContact O-N 3.37Å; R59-R62 WeakPolarHBondContact O-CB 3.4Å; R59-R62 PolarHBondContact O-N 2.88Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.3Å; R62-K80 PolarHBondContact O-NZ 3.02Å
63	Q	85.3	Confident	85.5	Confident	153 Å²	153	84.4 Å²	84.4	72%	0.715	43%	0.432	S	S	*	.	H	α-helix	trans	-75.1	-25	-178.3	-66.2	175	-5.5	0	0	113.3	R59 S60 F61 T65	R59-Q63 PolarHBondContact O-N 3.05Å; S60-Q63 WeakPolarHBondContact O-CB 3.25Å; S60-Q63 PolarHBondContact O-N 3.34Å; F61-Q63 VanDerWaalsContact C-N 3.27Å; F61-Q63 PolarHBondContact O-N 3.48Å; Q63-T65 PolarHBondContact O-N 3.23Å
64	L	84.9	Confident	85.3	Confident	35 Å²	35	80.7 Å²	80.7	18%	0.183	42%	0.416	C	S	.	.			trans	-66.7	124	175.5	-62.3	-178.1	0	0	0	111	S60 F61 F76 K80 L140	S60-L64 PolarHBondContact O-N 3.09Å; F61-L64 HydrophobicContact CD2-CD1 4.33Å; F61-L64 PolarHBondContact O-N 2.92Å; L64-F76 HydrophobicContact CB-CE2 4.13Å; L64-F76 HydrophobicContact CB-CZ 4.05Å; L64-F76 HydrophobicContact CD1-CE2 4.44Å; L64-K80 WeakPolarHBondContact O-CE 3.42Å; L64-K80 PolarHBondContact O-NZ 2.96Å; L64-L140 HydrophobicContact CD1-CD1 3.36Å; L64-L140 HydrophobicContact CD1-CG 4.09Å
65	T	82.3	Confident	85.3	Confident	117 Å²	117	77.4 Å²	77.4	72%	0.718	40%	0.399	S	S	*	.			trans	-122.7	-26.2	-180	51.2	0	0	0	0	112.4	Q63	Q63-T65 PolarHBondContact O-N 3.23Å
66	T	81.7	Confident	85.5	Confident	94 Å²	94	77.1 Å²	77.1	58%	0.577	40%	0.395	S	S	*	.			trans	-91.1	129.7	-178.8	53.3	0	0	0	0	110.9
67	H	84.3	Confident	85.7	Confident	67 Å²	67	73.2 Å²	73.2	31%	0.31	38%	0.379	S	S	.	.			trans	-160.3	160.6	169.7	70	-70.3	0	0	0	109.7	C69 F76 C77	H67-C69 PolarHBondContact O-N 2.83Å; H67-F76 HydrophobicContact CB-CD1 3.89Å; H67-F76 HydrophobicContact CB-CD2 4.27Å; H67-F76 HydrophobicContact CB-CE1 4.12Å; H67-F76 HydrophobicContact CB-CE2 4.48Å; H67-F76 HydrophobicContact CB-CG 3.97Å; H67-F76 HydrophobicContact CB-CZ 4.41Å; H67-F76 AromaticContact CD2-CD1 3.65Å; H67-F76 AromaticContact CE1-CD1 3.65Å; H67-F76 AromaticContact CE1-CE1 3.94Å; H67-F76 AromaticContact CG-CD1 3.32Å; H67-F76 AromaticContact CG-CE1 3.71Å; H67-F76 AromaticContact CG-CG 3.8Å; H67-F76 AromaticContact ND1-CD1 3.33Å; H67-F76 VanDerWaalsContact ND1-CD1 3.33Å; H67-F76 WeakPolarHBondContact ND1-CD1 3.14Å; H67-F76 AromaticContact ND1-CE1 3.36Å; H67-F76 WeakPolarHBondContact ND1-CE1 3.31Å; H67-F76 AromaticContact NE2-CD1 3.86Å; H67-C77 PolarHBondContact NE2-SG 2.91Å
68	K	83.3	Confident	85.9	Confident	178 Å²	178	73.3 Å²	73.3	77%	0.774	38%	0.382	S	S	*	.			trans	-84.9	103.9	168.9	-174.3	177.4	179.7	-179.6	0	109.1
69	C	84.3	Confident	86.2	Confident	72 Å²	72	71.8 Å²	71.8	49%	0.486	38%	0.376	S	S	.	.			trans	-67.7	135.5	178.9	-171.9	0	0	0	0	110.9	H67 G71	H67-C69 PolarHBondContact O-N 2.83Å; C69-G71 PolarHBondContact SG-N 3.39Å; C69-G71 VanDerWaalsContact SG-N 3.38Å
70	M	85.5	Confident	86.5	Confident	120 Å²	120	68.1 Å²	68.1	59%	0.591	36%	0.364	S	S	*	.			trans	-107.9	21	175.8	-57	-174.7	83.5	0	0	112.1	S73 C74	M70-S73 PolarHBondContact O-OG 3.05Å; M70-S73 VanDerWaalsContact O-OG 3.13Å; M70-C74 HydrophobicContact CB-CB 4.27Å
71	G	88.3	Confident	86.8	Confident	45 Å²	45	67.5 Å²	67.5	46%	0.464	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	64.9	-132.7	-175.1	0	0	0	0	0	111.7	C69 S73 C74	C69-G71 PolarHBondContact SG-N 3.39Å; C69-G71 VanDerWaalsContact SG-N 3.38Å; G71-S73 PolarHBondContact O-N 3.46Å; G71-C74 WeakPolarHBondContact O-CB 3.41Å; G71-C74 PolarHBondContact O-N 3.15Å
72	D	85.9	Confident	87.1	Confident	130 Å²	130	67.4 Å²	67.4	70%	0.695	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16	-174.5	-63.9	-9.5	0	0	0	114.9	K105	D72-K105 HydrophobicContact CB-CD 4.32Å; D72-K105 IonicContact OD2-NZ 3.48Å; D72-K105 PolarHBondContact OD2-NZ 3.46Å
73	S	84.4	Confident	87.4	Confident	30 Å²	30	60.2 Å²	60.2	21%	0.21	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.1	7.9	174.5	62.4	0	0	0	0	112.5	M70 G71 I75 T106	M70-S73 PolarHBondContact O-OG 3.05Å; M70-S73 VanDerWaalsContact O-OG 3.13Å; G71-S73 PolarHBondContact O-N 3.46Å; S73-I75 PolarHBondContact O-N 3.47Å; S73-I75 VanDerWaalsContact O-N 3.09Å; S73-T106 PolarHBondContact O-OG1 3.25Å
74	C	85.8	Confident	87.8	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.054	33%	0.328	C	S	.	.			trans	-77.4	100.1	-178.4	-167.7	0	0	0	0	111.8	M70 G71 F76 C77 A78	M70-C74 HydrophobicContact CB-CB 4.27Å; G71-C74 WeakPolarHBondContact O-CB 3.41Å; G71-C74 PolarHBondContact O-N 3.15Å; C74-F76 VanDerWaalsContact C-N 3.27Å; C74-F76 PolarHBondContact O-N 3.01Å; C74-C77 HydrophobicContact CB-CB 4.01Å; C74-C77 PolarHBondContact O-N 2.97Å; C74-A78 PolarHBondContact O-N 3.41Å; C74-A78 VanDerWaalsContact O-N 3.12Å
75	I	87.9	Confident	88.2	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-39.9	176	-63.1	167.5	0	0	0	111.2	S73 A78 L79 L99 L103 T106 F107 F128 T131	S73-I75 PolarHBondContact O-N 3.47Å; S73-I75 VanDerWaalsContact O-N 3.09Å; I75-A78 PolarHBondContact O-N 3.24Å; I75-L79 VanDerWaalsContact O-CB 3.25Å; I75-L79 WeakPolarHBondContact O-CB 3.22Å; I75-L79 PolarHBondContact O-N 3.08Å; I75-L99 HydrophobicContact CG2-CD1 4.01Å; I75-L103 HydrophobicContact CD1-CD2 3.74Å; I75-L103 HydrophobicContact CG1-CD2 4.13Å; I75-T106 HydrophobicContact CD1-CG2 3.91Å; I75-F107 HydrophobicContact CD1-CE2 4.03Å; I75-F107 HydrophobicContact CD1-CZ 4.46Å; I75-F128 HydrophobicContact CG2-CE1 4.12Å; I75-T131 HydrophobicContact CB-CG2 4.22Å; I75-T131 HydrophobicContact CD1-CG2 3.82Å; I75-T131 HydrophobicContact CG2-CG2 4.2Å
76	F	88.1	Confident	88.8	Confident	36 Å²	36	53.6 Å²	53.6	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-49.1	179	-176.3	-84.7	0	0	0	112.1	F61 L64 H67 C74 L79 K80	F61-F76 HydrophobicContact CD2-CE2 4.34Å; F61-F76 AromaticContact CE2-CD2 3.7Å; F61-F76 HydrophobicContact CE2-CD2 3.7Å; F61-F76 AromaticContact CE2-CE2 3.54Å; F61-F76 HydrophobicContact CE2-CE2 3.54Å; F61-F76 HydrophobicContact CE2-CZ 4.33Å; F61-F76 HydrophobicContact CZ-CD2 4.05Å; F61-F76 HydrophobicContact CZ-CE2 4.01Å; F61-F76 HydrophobicContact CZ-CZ 4.47Å; L64-F76 HydrophobicContact CB-CE2 4.13Å; L64-F76 HydrophobicContact CB-CZ 4.05Å; L64-F76 HydrophobicContact CD1-CE2 4.44Å; H67-F76 HydrophobicContact CB-CD1 3.89Å; H67-F76 HydrophobicContact CB-CD2 4.27Å; H67-F76 HydrophobicContact CB-CE1 4.12Å; H67-F76 HydrophobicContact CB-CE2 4.48Å; H67-F76 HydrophobicContact CB-CG 3.97Å; H67-F76 HydrophobicContact CB-CZ 4.41Å; H67-F76 AromaticContact CD2-CD1 3.65Å; H67-F76 AromaticContact CE1-CD1 3.65Å; H67-F76 AromaticContact CE1-CE1 3.94Å; H67-F76 AromaticContact CG-CD1 3.32Å; H67-F76 AromaticContact CG-CE1 3.71Å; H67-F76 AromaticContact CG-CG 3.8Å; H67-F76 AromaticContact ND1-CD1 3.33Å; H67-F76 VanDerWaalsContact ND1-CD1 3.33Å; H67-F76 WeakPolarHBondContact ND1-CD1 3.14Å; H67-F76 AromaticContact ND1-CE1 3.36Å; H67-F76 WeakPolarHBondContact ND1-CE1 3.31Å; H67-F76 AromaticContact NE2-CD1 3.86Å; C74-F76 VanDerWaalsContact C-N 3.27Å; C74-F76 PolarHBondContact O-N 3.01Å; F76-L79 PolarHBondContact O-N 2.98Å; F76-K80 HydrophobicContact CD1-CG 4.06Å; F76-K80 HydrophobicContact CE1-CD 4.47Å; F76-K80 HydrophobicContact CE1-CG 3.68Å; F76-K80 HydrophobicContact CZ-CG 4.12Å; F76-K80 WeakPolarHBondContact O-CB 3.11Å; F76-K80 WeakPolarHBondContact O-CG 3.39Å; F76-K80 PolarHBondContact O-N 2.77Å
77	C	89.4	Confident	89.2	Confident	51 Å²	51	53.7 Å²	53.7	35%	0.345	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-47	176.9	-76.7	0	0	0	0	111.8	H67 C74 L79 K80 G81	H67-C77 PolarHBondContact NE2-SG 2.91Å; C74-C77 HydrophobicContact CB-CB 4.01Å; C74-C77 PolarHBondContact O-N 2.97Å; C77-L79 PolarHBondContact O-N 3.19Å; C77-K80 PolarHBondContact O-N 2.84Å; C77-G81 PolarHBondContact O-N 3.11Å
78	A	91.4	Very high	89.5	Confident	11 Å²	11	54.5 Å²	54.5	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-40.8	-179.5	0	0	0	0	0	111.8	C74 I75 G81 I82 T98 L99 A102	C74-A78 PolarHBondContact O-N 3.41Å; C74-A78 VanDerWaalsContact O-N 3.12Å; I75-A78 PolarHBondContact O-N 3.24Å; A78-G81 PolarHBondContact O-N 2.95Å; A78-I82 PolarHBondContact O-N 3.31Å; A78-T98 HydrophobicContact CB-CG2 4.21Å; A78-L99 HydrophobicContact CB-CB 4.05Å; A78-L99 HydrophobicContact CB-CD1 3.72Å; A78-A102 HydrophobicContact CB-CB 4.06Å
79	L	91.8	Very high	90	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-41.7	177	-171.3	64.3	0	0	0	111.8	L48 F57 F61 I75 F76 C77 G81 I82 F83 L99 F128	L48-L79 HydrophobicContact CD2-CD1 3.48Å; L48-L79 VanDerWaalsContact CD2-CD1 3.48Å; F57-L79 HydrophobicContact CZ-CD2 4.28Å; F61-L79 HydrophobicContact CE1-CB 4.3Å; F61-L79 HydrophobicContact CE1-CD2 4.04Å; F61-L79 HydrophobicContact CE1-CG 3.89Å; F61-L79 HydrophobicContact CE2-CD2 4Å; F61-L79 HydrophobicContact CZ-CB 3.99Å; F61-L79 HydrophobicContact CZ-CD2 3.67Å; F61-L79 HydrophobicContact CZ-CG 3.85Å; I75-L79 VanDerWaalsContact O-CB 3.25Å; I75-L79 WeakPolarHBondContact O-CB 3.22Å; I75-L79 PolarHBondContact O-N 3.08Å; F76-L79 PolarHBondContact O-N 2.98Å; C77-L79 PolarHBondContact O-N 3.19Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.05Å; L79-I82 HydrophobicContact CD1-CG2 4.21Å; L79-I82 WeakPolarHBondContact O-CG2 3.46Å; L79-I82 PolarHBondContact O-N 2.62Å; L79-F83 HydrophobicContact CD1-CD1 4.09Å; L79-F83 HydrophobicContact CD1-CE1 3.73Å; L79-F83 HydrophobicContact CD1-CZ 4.25Å; L79-F83 HydrophobicContact CG-CD1 4.49Å; L79-F83 HydrophobicContact CG-CE1 4.37Å; L79-F83 WeakPolarHBondContact O-CB 3.28Å; L79-F83 PolarHBondContact O-N 3.4Å; L79-L99 HydrophobicContact CB-CD1 4.42Å; L79-L99 HydrophobicContact CD1-CD2 3.99Å; L79-F128 HydrophobicContact CD1-CE1 4.04Å; L79-F128 HydrophobicContact CD1-CZ 4.42Å; L79-F128 HydrophobicContact CD2-CD1 3.94Å; L79-F128 HydrophobicContact CD2-CE1 3.8Å; L79-F128 HydrophobicContact CG-CE1 4.44Å
80	K	91.1	Very high	90.4	Very high	50 Å²	50	50.2 Å²	50.2	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-42.5	171.2	-83.1	-69.9	-169.2	167	0	112.1	F61 R62 L64 F76 C77 F83 N84	F61-K80 HydrophobicContact CD1-CD 4.11Å; F61-K80 HydrophobicContact CE1-CB 4.4Å; F61-K80 HydrophobicContact CE1-CD 3.54Å; F61-K80 HydrophobicContact CE1-CG 3.67Å; F61-K80 HydrophobicContact CZ-CD 4.04Å; F61-K80 HydrophobicContact CZ-CG 3.76Å; F61-K80 VanDerWaalsContact O-CE 3.24Å; F61-K80 WeakPolarHBondContact O-CE 3.4Å; F61-K80 PolarHBondContact O-NZ 3.36Å; R62-K80 PolarHBondContact O-NZ 3.02Å; L64-K80 WeakPolarHBondContact O-CE 3.42Å; L64-K80 PolarHBondContact O-NZ 2.96Å; F76-K80 HydrophobicContact CD1-CG 4.06Å; F76-K80 HydrophobicContact CE1-CD 4.47Å; F76-K80 HydrophobicContact CE1-CG 3.68Å; F76-K80 HydrophobicContact CZ-CG 4.12Å; F76-K80 WeakPolarHBondContact O-CB 3.11Å; F76-K80 WeakPolarHBondContact O-CG 3.39Å; F76-K80 PolarHBondContact O-N 2.77Å; C77-K80 PolarHBondContact O-N 2.84Å; K80-F83 PolarHBondContact O-N 2.98Å; K80-N84 WeakPolarHBondContact O-CB 3.46Å; K80-N84 PolarHBondContact O-N 3.38Å
81	G	93.3	Very high	90.8	Very high	33 Å²	33	49.6 Å²	49.6	34%	0.34	30%	0.296	S	S	.	.	H	α-helix	trans	-58.1	-54	177.6	0	0	0	0	0	112	C77 A78 L79 F83 N84 Q85	C77-G81 PolarHBondContact O-N 3.11Å; A78-G81 PolarHBondContact O-N 2.95Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.05Å; G81-F83 PolarHBondContact O-N 3.46Å; G81-N84 WeakPolarHBondContact O-CB 3.29Å; G81-N84 PolarHBondContact O-N 2.85Å; G81-Q85 PolarHBondContact O-N 3.04Å
82	I	93.8	Very high	90.9	Very high	7 Å²	7	56 Å²	56	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-36.1	-178.8	-167.9	61	0	0	0	112.1	L33 L48 A78 L79 N84 Q85 F86 L94 P95 L99	L33-I82 HydrophobicContact CD2-CD1 4.15Å; L33-I82 HydrophobicContact CD2-CG1 4.35Å; L48-I82 HydrophobicContact CD2-CG2 3.95Å; A78-I82 PolarHBondContact O-N 3.31Å; L79-I82 HydrophobicContact CD1-CG2 4.21Å; L79-I82 WeakPolarHBondContact O-CG2 3.46Å; L79-I82 PolarHBondContact O-N 2.62Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 3.38Å; I82-Q85 HydrophobicContact CD1-CB 4.45Å; I82-Q85 WeakPolarHBondContact O-CB 3.45Å; I82-Q85 PolarHBondContact O-N 2.91Å; I82-F86 HydrophobicContact CD1-CE2 4.5Å; I82-F86 HydrophobicContact CG1-CD2 4.03Å; I82-F86 HydrophobicContact CG1-CE2 3.8Å; I82-F86 VanDerWaalsContact O-CD2 3.22Å; I82-F86 WeakPolarHBondContact O-CD2 3.38Å; I82-F86 PolarHBondContact O-N 2.91Å; I82-L94 HydrophobicContact CD1-CB 3.9Å; I82-L94 HydrophobicContact CD1-CD1 4.29Å; I82-P95 VanDerWaalsContact CD1-O 3.28Å; I82-P95 WeakPolarHBondContact CD1-O 3.37Å; I82-L99 HydrophobicContact CG2-CD2 4.49Å
83	F	93.2	Very high	91.3	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-36.6	174.8	-85.3	28.3	0	0	0	112.5	L48 L51 W52 F57 F61 L79 K80 G81 Q85 F86 Q87	L48-F83 HydrophobicContact CD2-CE1 4.18Å; L51-F83 HydrophobicContact CB-CZ 3.92Å; W52-F83 HydrophobicContact CB-CE1 4.32Å; W52-F83 HydrophobicContact CB-CZ 4.4Å; W52-F83 HydrophobicContact CE3-CB 4.3Å; W52-F83 HydrophobicContact CE3-CD1 4.05Å; W52-F83 AromaticContact CE3-CD2 3.89Å; W52-F83 HydrophobicContact CE3-CD2 3.89Å; W52-F83 HydrophobicContact CE3-CE1 4.32Å; W52-F83 HydrophobicContact CE3-CE2 4.16Å; W52-F83 AromaticContact CE3-CG 3.83Å; W52-F83 HydrophobicContact CE3-CG 3.83Å; W52-F83 HydrophobicContact CE3-CZ 4.36Å; W52-F83 HydrophobicContact CZ3-CB 4.08Å; W52-F83 HydrophobicContact CZ3-CD2 4.11Å; W52-F83 HydrophobicContact CZ3-CG 4.06Å; F57-F83 AromaticContact CD1-CE2 3.87Å; F57-F83 HydrophobicContact CD1-CE2 3.87Å; F57-F83 HydrophobicContact CD1-CZ 4.09Å; F57-F83 AromaticContact CE1-CE2 3.59Å; F57-F83 HydrophobicContact CE1-CE2 3.59Å; F57-F83 AromaticContact CE1-CZ 3.69Å; F57-F83 HydrophobicContact CE1-CZ 3.69Å; F61-F83 AromaticContact CD1-CD2 3.7Å; F61-F83 HydrophobicContact CD1-CD2 3.7Å; F61-F83 HydrophobicContact CD1-CE2 4.04Å; F61-F83 HydrophobicContact CD1-CG 4.5Å; F61-F83 HydrophobicContact CE1-CD2 4.21Å; L79-F83 HydrophobicContact CD1-CD1 4.09Å; L79-F83 HydrophobicContact CD1-CE1 3.73Å; L79-F83 HydrophobicContact CD1-CZ 4.25Å; L79-F83 HydrophobicContact CG-CD1 4.49Å; L79-F83 HydrophobicContact CG-CE1 4.37Å; L79-F83 WeakPolarHBondContact O-CB 3.28Å; L79-F83 PolarHBondContact O-N 3.4Å; K80-F83 PolarHBondContact O-N 2.98Å; G81-F83 PolarHBondContact O-N 3.46Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-F86 HydrophobicContact CD1-CD2 4.3Å; F83-F86 PolarHBondContact O-N 2.77Å; F83-Q87 PolarHBondContact O-N 3.25Å
84	N	93.3	Very high	91.8	Very high	97 Å²	97	52.4 Å²	52.4	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-40.9	172.3	-175.9	51.2	0	0	0	111.3	K80 G81 I82 Q87 C88	K80-N84 WeakPolarHBondContact O-CB 3.46Å; K80-N84 PolarHBondContact O-N 3.38Å; G81-N84 WeakPolarHBondContact O-CB 3.29Å; G81-N84 PolarHBondContact O-N 2.85Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 3.38Å; N84-Q87 PolarHBondContact O-N 3.09Å; N84-C88 WeakPolarHBondContact O-CB 3.25Å; N84-C88 PolarHBondContact O-N 3.42Å; N84-C88 PolarHBondContact OD1-SG 3.09Å
85	Q	94.3	Very high	92.2	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-42.3	173.8	-68.3	-175.3	12.5	0	0	111.9	K31 G81 I82 F83 Q87 C88 S89 L94	K31-Q85 PolarHBondContact NZ-O 3.21Å; G81-Q85 PolarHBondContact O-N 3.04Å; I82-Q85 HydrophobicContact CD1-CB 4.45Å; I82-Q85 WeakPolarHBondContact O-CB 3.45Å; I82-Q85 PolarHBondContact O-N 2.91Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-Q87 VanDerWaalsContact C-N 3.25Å; Q85-Q87 PolarHBondContact O-N 3.48Å; Q85-C88 PolarHBondContact O-N 3.16Å; Q85-S89 WeakPolarHBondContact O-CB 3.31Å; Q85-S89 PolarHBondContact O-N 3.18Å; Q85-L94 HydrophobicContact CB-CD1 3.82Å; Q85-L94 HydrophobicContact CB-CD2 4.11Å
86	F	93.2	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-54.7	-44.5	173.9	-87	-67.5	0	0	0	111.7	K31 L33 W52 I82 F83 L94	K31-F86 HydrophobicContact CB-CD1 3.93Å; K31-F86 HydrophobicContact CB-CE1 3.91Å; K31-F86 HydrophobicContact CD-CD1 4.26Å; K31-F86 VanDerWaalsContact CE-O 3.26Å; K31-F86 WeakPolarHBondContact CE-O 3.29Å; K31-F86 HydrophobicContact CG-CD1 4.46Å; K31-F86 PolarHBondContact NZ-O 3.32Å; L33-F86 HydrophobicContact CD1-CZ 4.07Å; L33-F86 HydrophobicContact CD2-CE2 4.11Å; L33-F86 HydrophobicContact CD2-CZ 3.67Å; L33-F86 HydrophobicContact CG-CZ 3.91Å; W52-F86 AromaticContact CD1-CD1 3.93Å; W52-F86 HydrophobicContact CD2-CB 3.7Å; W52-F86 HydrophobicContact CD2-CD1 4.38Å; W52-F86 HydrophobicContact CD2-CD2 4.21Å; W52-F86 AromaticContact CD2-CG 3.88Å; W52-F86 HydrophobicContact CD2-CG 3.88Å; W52-F86 VanDerWaalsContact CE2-CB 3.49Å; W52-F86 AromaticContact CE2-CG 3.96Å; W52-F86 HydrophobicContact CE3-CB 3.89Å; W52-F86 HydrophobicContact CE3-CD2 4.41Å; W52-F86 HydrophobicContact CE3-CG 4.32Å; W52-F86 HydrophobicContact CG-CB 4.4Å; W52-F86 HydrophobicContact CG-CD1 4.24Å; W52-F86 HydrophobicContact CG-CD2 4.26Å; W52-F86 HydrophobicContact CG-CG 4.08Å; W52-F86 HydrophobicContact CH2-CB 3.76Å; W52-F86 HydrophobicContact CZ2-CB 3.55Å; W52-F86 HydrophobicContact CZ2-CG 4.49Å; W52-F86 HydrophobicContact CZ3-CB 3.91Å; W52-F86 AromaticContact NE1-CD1 3.86Å; I82-F86 HydrophobicContact CD1-CE2 4.5Å; I82-F86 HydrophobicContact CG1-CD2 4.03Å; I82-F86 HydrophobicContact CG1-CE2 3.8Å; I82-F86 VanDerWaalsContact O-CD2 3.22Å; I82-F86 WeakPolarHBondContact O-CD2 3.38Å; I82-F86 PolarHBondContact O-N 2.91Å; F83-F86 HydrophobicContact CD1-CD2 4.3Å; F83-F86 PolarHBondContact O-N 2.77Å; F86-L94 HydrophobicContact CB-CD1 4.38Å; F86-L94 HydrophobicContact CD1-CD1 3.81Å; F86-L94 HydrophobicContact CD2-CD1 4.34Å; F86-L94 HydrophobicContact CE1-CD1 4.15Å; F86-L94 HydrophobicContact CG-CD1 3.9Å
87	Q	91.4	Very high	92.7	Very high	97 Å²	97	55 Å²	55	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-72.8	-44.7	-178.7	-165.4	173.1	-39.7	0	0	113.8	W52 F83 N84 Q85	W52-Q87 HydrophobicContact CH2-CB 3.92Å; F83-Q87 PolarHBondContact O-N 3.25Å; N84-Q87 PolarHBondContact O-N 3.09Å; Q85-Q87 VanDerWaalsContact C-N 3.25Å; Q85-Q87 PolarHBondContact O-N 3.48Å
88	C	90.4	Very high	92.8	Very high	83 Å²	83	57.5 Å²	57.5	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-112.5	-23.3	-161.1	-59.8	0	0	0	0	114.4	N84 Q85	N84-C88 WeakPolarHBondContact O-CB 3.25Å; N84-C88 PolarHBondContact O-N 3.42Å; N84-C88 PolarHBondContact OD1-SG 3.09Å; Q85-C88 PolarHBondContact O-N 3.16Å
89	S	93.6	Very high	92.8	Very high	37 Å²	37	57 Å²	57	26%	0.259	32%	0.32	S	S	.	.			trans	-68.7	151	-177.9	177.5	0	0	0	0	111.6	K31 Q85 E91	K31-S89 WeakPolarHBondContact CE-O 3.12Å; K31-S89 VanDerWaalsContact NZ-C 3.34Å; K31-S89 PolarHBondContact NZ-O 3.18Å; Q85-S89 WeakPolarHBondContact O-CB 3.31Å; Q85-S89 PolarHBondContact O-N 3.18Å; S89-E91 WeakPolarHBondContact OG-CB 3.5Å; S89-E91 PolarHBondContact OG-N 2.76Å
90	S	92.3	Very high	92.8	Very high	123 Å²	123	57 Å²	57	86%	0.86	32%	0.319	S	S	*	.			trans	-87.1	-10.2	168.6	53	0	0	0	0	113
91	E	93.2	Very high	92.8	Very high	108 Å²	108	56.7 Å²	56.7	51%	0.505	32%	0.323	S	S	.	.			trans	-68.9	140.5	-178.7	-65.2	177.6	-176.8	0	0	111.5	K31 S89 L94	K31-E91 VanDerWaalsContact CD-O 3.31Å; K31-E91 WeakPolarHBondContact CD-O 3.24Å; K31-E91 WeakPolarHBondContact CE-O 3.45Å; S89-E91 WeakPolarHBondContact OG-CB 3.5Å; S89-E91 PolarHBondContact OG-N 2.76Å; E91-L94 HydrophobicContact CB-CD2 3.94Å
92	K	92.2	Very high	92.6	Very high	180 Å²	180	55.1 Å²	55.1	78%	0.783	31%	0.308	S	S	*	.	S	Bend	trans	-82.8	-22.4	178.4	-66.2	-175.8	-179.8	178.8	0	112.9	G32	G32-K92 PolarHBondContact N-O 3.2Å
93	V	94.4	Very high	92.3	Very high	82 Å²	82	55 Å²	55	50%	0.497	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.4	-179.5	-177.2	0	0	0	0	107.2	G32	G32-V93 CarbonylContact O-C 3.11Å; G32-V93 WeakPolarHBondContact O-CA 2.98Å
94	L	94.8	Very high	92	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.7	-176.4	-58.4	175.9	0	0	0	111.5	K31 G32 L33 S34 I82 Q85 F86 E91	K31-L94 HydrophobicContact CB-CD1 4.34Å; K31-L94 HydrophobicContact CB-CG 4.47Å; K31-L94 HydrophobicContact CD-CD1 3.69Å; K31-L94 HydrophobicContact CD-CD2 4.42Å; K31-L94 HydrophobicContact CD-CG 4.07Å; G32-L94 PolarHBondContact O-N 3.09Å; L33-L94 CarbonylContact C-O 3.6Å; L33-L94 VanDerWaalsContact CA-O 3.29Å; L33-L94 WeakPolarHBondContact CA-O 3.36Å; L33-L94 HydrophobicContact CD2-CB 4.1Å; S34-L94 PolarHBondContact N-O 3.18Å; I82-L94 HydrophobicContact CD1-CB 3.9Å; I82-L94 HydrophobicContact CD1-CD1 4.29Å; Q85-L94 HydrophobicContact CB-CD1 3.82Å; Q85-L94 HydrophobicContact CB-CD2 4.11Å; F86-L94 HydrophobicContact CB-CD1 4.38Å; F86-L94 HydrophobicContact CD1-CD1 3.81Å; F86-L94 HydrophobicContact CD2-CD1 4.34Å; F86-L94 HydrophobicContact CE1-CD1 4.15Å; F86-L94 HydrophobicContact CG-CD1 3.9Å; E91-L94 HydrophobicContact CB-CD2 3.94Å
95	P	94.3	Very high	91.7	Very high	50 Å²	50	55 Å²	55	33%	0.325	30%	0.304	S	S	.	.			trans	-79.6	131.9	175.8	31.4	-33.7	0	0	0	112.2	S34 I82 D97	S34-P95 WeakPolarHBondContact OG-CA 3.44Å; I82-P95 VanDerWaalsContact CD1-O 3.28Å; I82-P95 WeakPolarHBondContact CD1-O 3.37Å; P95-D97 WeakPolarHBondContact CB-OD2 3.31Å
96	S	92.6	Very high	91.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	30%	0.3	C	S	.	.			trans	-99.3	5.6	173.8	58.5	0	0	0	0	113.7	N45 T98 L99 R100	N45-S96 WeakPolarHBondContact OD1-CB 3.29Å; N45-S96 PolarHBondContact OD1-OG 3.49Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.32Å; S96-L99 PolarHBondContact O-N 2.98Å; S96-L99 VanDerWaalsContact O-N 3.11Å; S96-R100 WeakPolarHBondContact O-CB 3.47Å; S96-R100 PolarHBondContact O-N 2.81Å
97	D	92.6	Very high	90.6	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-37.3	-171.2	-56.6	-63.2	0	0	0	113.6	Q39 P95 R100 S101	Q39-D97 PolarHBondContact NE2-OD1 3.46Å; P95-D97 WeakPolarHBondContact CB-OD2 3.31Å; D97-R100 PolarHBondContact O-N 3.22Å; D97-S101 VanDerWaalsContact O-CB 3.29Å; D97-S101 WeakPolarHBondContact O-CB 3.42Å; D97-S101 PolarHBondContact O-N 3.25Å; D97-S101 PolarHBondContact O-OG 2.98Å
98	T	91.9	Very high	90.1	Very high	102 Å²	102	54.8 Å²	54.8	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-63.3	-45.8	178.5	-50.1	0	0	0	0	111.2	A78 S96 S101 A102	A78-T98 HydrophobicContact CB-CG2 4.21Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.32Å; T98-S101 PolarHBondContact O-N 3.43Å; T98-A102 WeakPolarHBondContact O-CB 3.23Å; T98-A102 PolarHBondContact O-N 3.39Å
99	L	91.5	Very high	89.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-70.3	-38.8	177.4	-177.4	62.2	0	0	0	111.2	L44 L48 I75 A78 L79 I82 S96 S101 A102 L103 F128	L44-L99 HydrophobicContact CD1-CD2 3.89Å; L44-L99 HydrophobicContact CD1-CG 4.25Å; L44-L99 HydrophobicContact CD2-CB 4.42Å; L44-L99 HydrophobicContact CD2-CD2 4.45Å; L44-L99 HydrophobicContact CD2-CG 4.27Å; L48-L99 HydrophobicContact CD1-CD2 3.95Å; L48-L99 HydrophobicContact CD2-CD2 3.57Å; L48-L99 HydrophobicContact CG-CD2 3.98Å; I75-L99 HydrophobicContact CG2-CD1 4.01Å; A78-L99 HydrophobicContact CB-CB 4.05Å; A78-L99 HydrophobicContact CB-CD1 3.72Å; L79-L99 HydrophobicContact CB-CD1 4.42Å; L79-L99 HydrophobicContact CD1-CD2 3.99Å; I82-L99 HydrophobicContact CG2-CD2 4.49Å; S96-L99 PolarHBondContact O-N 2.98Å; S96-L99 VanDerWaalsContact O-N 3.11Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 3.3Å; L99-A102 PolarHBondContact O-N 3.37Å; L99-L103 HydrophobicContact CG-CD1 4.29Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 3.08Å; L99-F128 HydrophobicContact CD2-CZ 4.27Å
100	R	92.1	Very high	88.7	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-58.1	-42.6	175.4	-174.2	66.5	-175.7	83.9	-8.4	112	S41 L44 S96 D97 A104 F113 Q114 L115 I117	S41-R100 VanDerWaalsContact OG-CD 3.29Å; S41-R100 WeakPolarHBondContact OG-CD 3.37Å; S41-R100 WeakPolarHBondContact OG-CG 3.48Å; S41-R100 PolarHBondContact OG-NE 3.21Å; L44-R100 HydrophobicContact CD2-CB 3.82Å; L44-R100 HydrophobicContact CD2-CG 4.48Å; S96-R100 WeakPolarHBondContact O-CB 3.47Å; S96-R100 PolarHBondContact O-N 2.81Å; D97-R100 PolarHBondContact O-N 3.22Å; R100-A104 PolarHBondContact O-N 3.22Å; R100-A104 VanDerWaalsContact O-N 3.13Å; R100-F113 PolarHBondContact NH1-O 3.19Å; R100-Q114 PolarHBondContact NH2-O 3.46Å; R100-L115 HydrophobicContact CG-CD2 3.87Å; R100-I117 PolarHBondContact NH2-O 3.26Å
101	S	91	Very high	87.9	Confident	44 Å²	44	61.2 Å²	61.2	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-71.6	-41	178.4	-58.9	0	0	0	0	112	D97 T98 L99 A104 K105	D97-S101 VanDerWaalsContact O-CB 3.29Å; D97-S101 WeakPolarHBondContact O-CB 3.42Å; D97-S101 PolarHBondContact O-N 3.25Å; D97-S101 PolarHBondContact O-OG 2.98Å; T98-S101 PolarHBondContact O-N 3.43Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 3.3Å; S101-A104 PolarHBondContact O-N 2.84Å; S101-K105 WeakPolarHBondContact O-CG 3.43Å; S101-K105 PolarHBondContact O-N 2.91Å
102	A	88.9	Confident	87.2	Confident	1 Å²	1	59 Å²	59	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-47.9	175.3	0	0	0	0	0	110.9	A78 T98 L99 A104 K105 T106	A78-A102 HydrophobicContact CB-CB 4.06Å; T98-A102 WeakPolarHBondContact O-CB 3.23Å; T98-A102 PolarHBondContact O-N 3.39Å; L99-A102 PolarHBondContact O-N 3.37Å; A102-A104 PolarHBondContact O-N 2.83Å; A102-K105 PolarHBondContact O-N 3.19Å; A102-T106 PolarHBondContact O-N 3.06Å; A102-T106 PolarHBondContact O-OG1 3.32Å
103	L	86.8	Confident	86.6	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-48.4	175.9	-77.9	167.4	0	0	0	112.5	L44 I75 L99 K105 T106 F107 F113	L44-L103 HydrophobicContact CD1-CD1 3.54Å; L44-L103 HydrophobicContact CD2-CD1 4.1Å; L44-L103 HydrophobicContact CG-CD1 4.4Å; I75-L103 HydrophobicContact CD1-CD2 3.74Å; I75-L103 HydrophobicContact CG1-CD2 4.13Å; L99-L103 HydrophobicContact CG-CD1 4.29Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 3.08Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.42Å; L103-T106 PolarHBondContact O-N 3.42Å; L103-F107 HydrophobicContact CD2-CD2 4.29Å; L103-F107 HydrophobicContact CD2-CE2 3.86Å; L103-F107 VanDerWaalsContact O-CD2 3.29Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å; L103-F107 PolarHBondContact O-N 3.41Å; L103-F107 VanDerWaalsContact O-N 3.09Å; L103-F113 HydrophobicContact CB-CB 4.32Å
104	A	87.8	Confident	86	Confident	8 Å²	8	48.7 Å²	48.7	7%	0.066	25%	0.25	C	S	.	.	H	α-helix	trans	-58.8	-39.8	179.1	0	0	0	0	0	112.2	R100 S101 A102 Q108 F113 L115	R100-A104 PolarHBondContact O-N 3.22Å; R100-A104 VanDerWaalsContact O-N 3.13Å; S101-A104 PolarHBondContact O-N 2.84Å; A102-A104 PolarHBondContact O-N 2.83Å; A104-Q108 WeakPolarHBondContact O-CA 3.38Å; A104-Q108 PolarHBondContact O-N 2.95Å; A104-Q108 VanDerWaalsContact O-N 3.16Å; A104-F113 VanDerWaalsContact CA-O 3.31Å; A104-F113 WeakPolarHBondContact CA-O 3.23Å; A104-F113 VanDerWaalsContact CB-O 3.23Å; A104-F113 WeakPolarHBondContact CB-O 3.31Å; A104-L115 HydrophobicContact CB-CD2 3.98Å; A104-L115 HydrophobicContact CB-CG 3.88Å
105	K	85.8	Confident	85.4	Confident	101 Å²	101	53.8 Å²	53.8	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-70.4	-41	176.7	-71.8	178.4	178.2	-177.8	0	112.4	D72 S101 A102 L103 F107	D72-K105 HydrophobicContact CB-CD 4.32Å; D72-K105 IonicContact OD2-NZ 3.48Å; D72-K105 PolarHBondContact OD2-NZ 3.46Å; S101-K105 WeakPolarHBondContact O-CG 3.43Å; S101-K105 PolarHBondContact O-N 2.91Å; A102-K105 PolarHBondContact O-N 3.19Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.42Å; K105-F107 VanDerWaalsContact C-N 3.29Å; K105-F107 PolarHBondContact O-N 3.21Å
106	T	82.9	Confident	84.6	Confident	39 Å²	39	53.1 Å²	53.1	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-35.4	179.8	-53.1	0	0	0	0	112.2	S73 I75 A102 L103	S73-T106 PolarHBondContact O-OG1 3.25Å; I75-T106 HydrophobicContact CD1-CG2 3.91Å; A102-T106 PolarHBondContact O-N 3.06Å; A102-T106 PolarHBondContact O-OG1 3.32Å; L103-T106 PolarHBondContact O-N 3.42Å
107	F	81.4	Confident	84	Confident	14 Å²	14	57.9 Å²	57.9	6%	0.061	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	23	-175.8	-59.9	-68.9	0	0	0	113.9	I75 L103 K105 D109 E110 Q111 R112 F113 F127	I75-F107 HydrophobicContact CD1-CE2 4.03Å; I75-F107 HydrophobicContact CD1-CZ 4.46Å; L103-F107 HydrophobicContact CD2-CD2 4.29Å; L103-F107 HydrophobicContact CD2-CE2 3.86Å; L103-F107 VanDerWaalsContact O-CD2 3.29Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å; L103-F107 PolarHBondContact O-N 3.41Å; L103-F107 VanDerWaalsContact O-N 3.09Å; K105-F107 VanDerWaalsContact C-N 3.29Å; K105-F107 PolarHBondContact O-N 3.21Å; F107-D109 PolarHBondContact O-N 3.2Å; F107-E110 PolarHBondContact O-N 3.12Å; F107-Q111 PolarHBondContact O-N 3.22Å; F107-R112 HydrophobicContact CB-CB 4.06Å; F107-R112 PolarHBondContact O-N 2.78Å; F107-F113 HydrophobicContact CB-CD2 4.17Å; F107-F113 AromaticContact CD2-CD2 3.49Å; F107-F113 HydrophobicContact CD2-CD2 3.49Å; F107-F113 VanDerWaalsContact CD2-CD2 3.49Å; F107-F113 AromaticContact CD2-CE2 3.88Å; F107-F113 HydrophobicContact CD2-CE2 3.88Å; F107-F113 HydrophobicContact CE2-CD2 4.18Å; F107-F113 HydrophobicContact CE2-CE2 4.18Å; F107-F113 AromaticContact CG-CD2 3.97Å; F107-F113 HydrophobicContact CG-CD2 3.97Å; F107-F113 HydrophobicContact CG-CE2 4.33Å; F107-F127 HydrophobicContact CD1-CD1 4.49Å; F107-F127 AromaticContact CD1-CE1 3.87Å; F107-F127 HydrophobicContact CD1-CE1 3.87Å; F107-F127 AromaticContact CD1-CZ 3.88Å; F107-F127 HydrophobicContact CD1-CZ 3.88Å; F107-F127 AromaticContact CE1-CD1 3.41Å; F107-F127 HydrophobicContact CE1-CD1 3.41Å; F107-F127 VanDerWaalsContact CE1-CD1 3.41Å; F107-F127 AromaticContact CE1-CE1 3.01Å; F107-F127 HydrophobicContact CE1-CE1 3.01Å; F107-F127 HydrophobicContact CE1-CE2 4.31Å; F107-F127 HydrophobicContact CE1-CG 4.19Å; F107-F127 AromaticContact CE1-CZ 3.5Å; F107-F127 HydrophobicContact CE1-CZ 3.5Å; F107-F127 VanDerWaalsContact CE1-CZ 3.5Å; F107-F127 HydrophobicContact CE2-CB 4.41Å; F107-F127 AromaticContact CE2-CD1 3.96Å; F107-F127 HydrophobicContact CE2-CD1 3.96Å; F107-F127 HydrophobicContact CE2-CD2 4.38Å; F107-F127 HydrophobicContact CE2-CE1 4.26Å; F107-F127 AromaticContact CE2-CG 3.99Å; F107-F127 HydrophobicContact CE2-CG 3.99Å; F107-F127 HydrophobicContact CZ-CB 4.19Å; F107-F127 AromaticContact CZ-CD1 3.06Å; F107-F127 HydrophobicContact CZ-CD1 3.06Å; F107-F127 HydrophobicContact CZ-CD2 4.2Å; F107-F127 AromaticContact CZ-CE1 3.27Å; F107-F127 HydrophobicContact CZ-CE1 3.27Å; F107-F127 HydrophobicContact CZ-CE2 4.33Å; F107-F127 AromaticContact CZ-CG 3.56Å; F107-F127 HydrophobicContact CZ-CG 3.56Å; F107-F127 AromaticContact CZ-CZ 3.88Å; F107-F127 HydrophobicContact CZ-CZ 3.88Å
108	Q	81.4	Confident	83.2	Confident	109 Å²	109	61 Å²	61	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.1	-177.7	86.3	179.3	0.4	0	0	111.9	A104 E110 Q111	A104-Q108 WeakPolarHBondContact O-CA 3.38Å; A104-Q108 PolarHBondContact O-N 2.95Å; A104-Q108 VanDerWaalsContact O-N 3.16Å; Q108-E110 VanDerWaalsContact C-N 3.31Å; Q108-E110 PolarHBondContact O-N 2.73Å; Q108-Q111 PolarHBondContact O-N 2.92Å; Q108-Q111 PolarHBondContact O-NE2 3.48Å
109	D	77.5	Confident	82.7	Confident	143 Å²	143	58.2 Å²	58.2	77%	0.765	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-26.1	-174.6	-58.1	-29.5	0	0	0	111.4	F107 Q111	F107-D109 PolarHBondContact O-N 3.2Å; D109-Q111 VanDerWaalsContact C-N 3.32Å
110	E	76.4	Confident	82.1	Confident	94 Å²	94	62.6 Å²	62.6	44%	0.439	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.8	177.3	-63.2	177.8	-144.1	0	0	112.2	F107 Q108 R112	F107-E110 PolarHBondContact O-N 3.12Å; Q108-E110 VanDerWaalsContact C-N 3.31Å; Q108-E110 PolarHBondContact O-N 2.73Å; E110-R112 HydrophobicContact CB-CB 4.41Å; E110-R112 HydrophobicContact CB-CG 3.82Å; E110-R112 WeakPolarHBondContact O-CG 3.29Å; E110-R112 PolarHBondContact O-N 2.68Å; E110-R112 VanDerWaalsContact O-N 3.16Å; E110-R112 WeakPolarHBondContact OE2-CD 3.47Å
111	Q	76.1	Confident	81.1	Confident	142 Å²	142	63.7 Å²	63.7	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	24.8	-172.4	-65.6	-69.7	-68.9	0	0	113.4	F107 Q108 D109	F107-Q111 PolarHBondContact O-N 3.22Å; Q108-Q111 PolarHBondContact O-N 2.92Å; Q108-Q111 PolarHBondContact O-NE2 3.48Å; D109-Q111 VanDerWaalsContact C-N 3.32Å
112	R	78.6	Confident	80	Confident	62 Å²	62	64 Å²	64	23%	0.234	34%	0.338	C	S	.	.			trans	-97	150.8	178.4	-56.6	179.8	68.8	170.5	4.8	110.4	F107 E110 Q114 E123 F127	F107-R112 HydrophobicContact CB-CB 4.06Å; F107-R112 PolarHBondContact O-N 2.78Å; E110-R112 HydrophobicContact CB-CB 4.41Å; E110-R112 HydrophobicContact CB-CG 3.82Å; E110-R112 WeakPolarHBondContact O-CG 3.29Å; E110-R112 PolarHBondContact O-N 2.68Å; E110-R112 VanDerWaalsContact O-N 3.16Å; E110-R112 WeakPolarHBondContact OE2-CD 3.47Å; R112-Q114 PolarHBondContact O-N 3.13Å; R112-Q114 VanDerWaalsContact O-N 3.15Å; R112-Q114 PolarHBondContact O-NE2 3.15Å; R112-E123 IonicContact CZ-OE2 3.62Å; R112-E123 IonicContact NH1-OE2 3.74Å; R112-E123 VanDerWaalsContact NH2-CB 3.3Å; R112-E123 IonicContact NH2-OE2 2.66Å; R112-E123 PolarHBondContact NH2-OE2 3.02Å; R112-F127 VanDerWaalsContact NH1-CE2 3.33Å
113	F	80.1	Confident	79.1	Confident	1 Å²	1	67.2 Å²	67.2	0%	0.004	35%	0.352	C	S	.	.	S	Bend	trans	50.5	38.4	-179.7	-47.4	-70.2	0	0	0	113.6	F43 R100 L103 A104 F107 D119 E123 C124 F127	F43-F113 HydrophobicContact CD2-CD1 4.36Å; F43-F113 HydrophobicContact CD2-CE1 4.39Å; F43-F113 AromaticContact CE2-CD1 3.45Å; F43-F113 HydrophobicContact CE2-CD1 3.45Å; F43-F113 VanDerWaalsContact CE2-CD1 3.45Å; F43-F113 AromaticContact CE2-CE1 3.85Å; F43-F113 HydrophobicContact CE2-CE1 3.85Å; F43-F113 AromaticContact CZ-CD1 3.86Å; F43-F113 HydrophobicContact CZ-CD1 3.86Å; R100-F113 PolarHBondContact NH1-O 3.19Å; L103-F113 HydrophobicContact CB-CB 4.32Å; A104-F113 VanDerWaalsContact CA-O 3.31Å; A104-F113 WeakPolarHBondContact CA-O 3.23Å; A104-F113 VanDerWaalsContact CB-O 3.23Å; A104-F113 WeakPolarHBondContact CB-O 3.31Å; F107-F113 HydrophobicContact CB-CD2 4.17Å; F107-F113 AromaticContact CD2-CD2 3.49Å; F107-F113 HydrophobicContact CD2-CD2 3.49Å; F107-F113 VanDerWaalsContact CD2-CD2 3.49Å; F107-F113 AromaticContact CD2-CE2 3.88Å; F107-F113 HydrophobicContact CD2-CE2 3.88Å; F107-F113 HydrophobicContact CE2-CD2 4.18Å; F107-F113 HydrophobicContact CE2-CE2 4.18Å; F107-F113 AromaticContact CG-CD2 3.97Å; F107-F113 HydrophobicContact CG-CD2 3.97Å; F107-F113 HydrophobicContact CG-CE2 4.33Å; F113-D119 WeakPolarHBondContact CA-OD2 3.2Å; F113-D119 HydrophobicContact CD1-CB 3.66Å; F113-D119 WeakPolarHBondContact CD1-OD2 3.43Å; F113-D119 HydrophobicContact CE1-CB 3.91Å; F113-D119 PolarHBondContact N-OD2 3.25Å; F113-E123 HydrophobicContact CZ-CB 4.39Å; F113-C124 HydrophobicContact CE1-CB 4.17Å; F113-F127 AromaticContact CE2-CD2 3.34Å; F113-F127 HydrophobicContact CE2-CD2 3.34Å; F113-F127 AromaticContact CE2-CE2 3.33Å; F113-F127 HydrophobicContact CE2-CE2 3.33Å; F113-F127 HydrophobicContact CE2-CG 4.29Å; F113-F127 HydrophobicContact CE2-CZ 4.31Å; F113-F127 AromaticContact CZ-CD2 3.51Å; F113-F127 HydrophobicContact CZ-CD2 3.51Å; F113-F127 AromaticContact CZ-CE2 3.73Å; F113-F127 HydrophobicContact CZ-CE2 3.73Å
114	Q	81.4	Confident	78.2	Confident	43 Å²	43	67.1 Å²	67.1	20%	0.201	35%	0.352	C	S	.	.			trans	-67.7	141.3	177.7	-63.3	-54.7	-54.7	0	0	111.1	R100 R112 G116 I117	R100-Q114 PolarHBondContact NH2-O 3.46Å; R112-Q114 PolarHBondContact O-N 3.13Å; R112-Q114 VanDerWaalsContact O-N 3.15Å; R112-Q114 PolarHBondContact O-NE2 3.15Å; Q114-G116 PolarHBondContact O-N 3.03Å; Q114-I117 HydrophobicContact CB-CB 4.44Å; Q114-I117 HydrophobicContact CB-CD1 3.88Å; Q114-I117 HydrophobicContact CB-CG1 4.13Å; Q114-I117 PolarHBondContact O-N 3.39Å
115	L	82.1	Confident	77.2	Confident	109 Å²	109	69.9 Å²	69.9	57%	0.571	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	136.3	-178.4	-65.9	177.7	0	0	0	111	R100 A104 I117	R100-L115 HydrophobicContact CG-CD2 3.87Å; A104-L115 HydrophobicContact CB-CD2 3.98Å; A104-L115 HydrophobicContact CB-CG 3.88Å; L115-I117 PolarHBondContact O-N 3.16Å
116	G	78.8	Confident	75.8	Confident	36 Å²	36	69 Å²	69	37%	0.371	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-2.3	-177.9	0	0	0	0	0	115.1	G38 N40 Q114	G38-G116 WeakPolarHBondContact O-CA 3.5Å; N40-G116 PolarHBondContact ND2-O 3.46Å; Q114-G116 PolarHBondContact O-N 3.03Å
117	I	79.6	Confident	74.7	Confident	101 Å²	101	68 Å²	68	52%	0.518	36%	0.355	S	S	.	.			trans	-102.5	139.4	172.7	-50.9	-169.6	0	0	0	109.1	R100 Q114 L115	R100-I117 PolarHBondContact NH2-O 3.26Å; Q114-I117 HydrophobicContact CB-CB 4.44Å; Q114-I117 HydrophobicContact CB-CD1 3.88Å; Q114-I117 HydrophobicContact CB-CG1 4.13Å; Q114-I117 PolarHBondContact O-N 3.39Å; L115-I117 PolarHBondContact O-N 3.16Å
118	M	76	Confident	73.7	Confident	125 Å²	125	68.5 Å²	68.5	62%	0.616	36%	0.357	S	S	*	.			trans	-82.8	133.2	172.6	-166.3	171	70.3	0	0	109.2	N40	N40-M118 HydrophobicContact CB-CB 4.03Å
119	D	80.4	Confident	72.3	Confident	43 Å²	43	70.3 Å²	70.3	23%	0.23	36%	0.359	C	S	.	.			trans	-122.3	173	179.1	-145.4	-46.6	0	0	0	110.2	F43 F113	F43-D119 WeakPolarHBondContact CB-O 3.37Å; F43-D119 HydrophobicContact CD1-CB 4.34Å; F43-D119 HydrophobicContact CD2-CB 4.18Å; F43-D119 HydrophobicContact CE1-CB 4.2Å; F43-D119 HydrophobicContact CE2-CB 4.08Å; F43-D119 HydrophobicContact CG-CB 4.34Å; F43-D119 WeakPolarHBondContact CG-O 3.3Å; F43-D119 HydrophobicContact CZ-CB 4.08Å; F113-D119 WeakPolarHBondContact CA-OD2 3.2Å; F113-D119 HydrophobicContact CD1-CB 3.66Å; F113-D119 WeakPolarHBondContact CD1-OD2 3.43Å; F113-D119 HydrophobicContact CE1-CB 3.91Å; F113-D119 PolarHBondContact N-OD2 3.25Å
120	D	78.6	Confident	70.6	Confident	92 Å²	92	66.8 Å²	66.8	49%	0.492	34%	0.343	S	S	.	.			trans	-77.8	134.7	179.6	-162.3	-47.9	0	0	0	111.4	A122 E123 C124	D120-A122 VanDerWaalsContact OD1-CB 3.24Å; D120-A122 WeakPolarHBondContact OD1-CB 3.5Å; D120-A122 PolarHBondContact OD1-N 3.25Å; D120-E123 HydrophobicContact CB-CB 4.21Å; D120-E123 HydrophobicContact CB-CG 4.02Å; D120-C124 PolarHBondContact O-N 3.09Å
121	A	71.8	Confident	69.3	Low	27 Å²	27	65 Å²	65	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-34.7	176.4	0	0	0	0	0	112.4	F43 E123 C124 F125	F43-A121 HydrophobicContact CB-CB 4.29Å; A121-E123 VanDerWaalsContact C-N 3.35Å; A121-C124 VanDerWaalsContact O-CB 3.31Å; A121-C124 WeakPolarHBondContact O-CB 3.5Å; A121-C124 PolarHBondContact O-N 2.75Å; A121-F125 WeakPolarHBondContact O-CD2 3.09Å; A121-F125 PolarHBondContact O-N 3.36Å
122	A	68.7	Low	67.9	Low	52 Å²	52	61.1 Å²	61.1	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.5	0	0	0	0	0	111.4	D120 C124 F125 L126	D120-A122 VanDerWaalsContact OD1-CB 3.24Å; D120-A122 WeakPolarHBondContact OD1-CB 3.5Å; D120-A122 PolarHBondContact OD1-N 3.25Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.18Å; A122-F125 WeakPolarHBondContact O-CB 3.39Å; A122-F125 PolarHBondContact O-N 3.46Å; A122-L126 PolarHBondContact O-N 3.07Å; A122-L126 VanDerWaalsContact O-N 3.08Å
123	E	68.8	Low	66.1	Low	67 Å²	67	64 Å²	64	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-37.4	175.1	-70.6	-57	135.6	0	0	111.9	R112 F113 D120 A121 F125 L126 F127	R112-E123 IonicContact CZ-OE2 3.62Å; R112-E123 IonicContact NH1-OE2 3.74Å; R112-E123 VanDerWaalsContact NH2-CB 3.3Å; R112-E123 IonicContact NH2-OE2 2.66Å; R112-E123 PolarHBondContact NH2-OE2 3.02Å; F113-E123 HydrophobicContact CZ-CB 4.39Å; D120-E123 HydrophobicContact CB-CB 4.21Å; D120-E123 HydrophobicContact CB-CG 4.02Å; A121-E123 VanDerWaalsContact C-N 3.35Å; E123-F125 VanDerWaalsContact C-N 3.32Å; E123-F125 PolarHBondContact O-N 3.5Å; E123-L126 PolarHBondContact O-N 3.15Å; E123-F127 VanDerWaalsContact O-CD2 3.23Å; E123-F127 WeakPolarHBondContact O-CD2 3.24Å; E123-F127 PolarHBondContact O-N 3.26Å; E123-F127 VanDerWaalsContact O-N 3.12Å
124	C	68.3	Low	64.4	Low	1 Å²	1	73.9 Å²	73.9	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-41.4	173.2	-167.7	0	0	0	0	111.9	F43 A47 F113 D120 A121 A122 F127 F128	F43-C124 HydrophobicContact CD2-CB 4.19Å; A47-C124 HydrophobicContact CB-CB 4.27Å; F113-C124 HydrophobicContact CE1-CB 4.17Å; D120-C124 PolarHBondContact O-N 3.09Å; A121-C124 VanDerWaalsContact O-CB 3.31Å; A121-C124 WeakPolarHBondContact O-CB 3.5Å; A121-C124 PolarHBondContact O-N 2.75Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.18Å; C124-F127 PolarHBondContact O-N 2.91Å; C124-F128 WeakPolarHBondContact O-CD2 3.17Å; C124-F128 PolarHBondContact O-N 2.66Å
125	F	65.6	Low	62.5	Low	66 Å²	66	73.5 Å²	73.5	29%	0.289	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-40.9	174.5	-71.4	-67.7	0	0	0	113	A47 V50 L51 A121 A122 E123 F127 F128 R129	A47-F125 VanDerWaalsContact CA-CZ 3.44Å; A47-F125 HydrophobicContact CB-CD1 4.22Å; A47-F125 HydrophobicContact CB-CE1 3.85Å; A47-F125 HydrophobicContact CB-CE2 4.22Å; A47-F125 HydrophobicContact CB-CZ 3.86Å; V50-F125 HydrophobicContact CB-CE1 3.76Å; V50-F125 HydrophobicContact CB-CZ 3.71Å; V50-F125 HydrophobicContact CG1-CE1 3.77Å; V50-F125 HydrophobicContact CG1-CZ 3.96Å; V50-F125 HydrophobicContact CG2-CE1 4.42Å; V50-F125 HydrophobicContact CG2-CZ 3.86Å; L51-F125 HydrophobicContact CG-CE1 4.47Å; A121-F125 WeakPolarHBondContact O-CD2 3.09Å; A121-F125 PolarHBondContact O-N 3.36Å; A122-F125 WeakPolarHBondContact O-CB 3.39Å; A122-F125 PolarHBondContact O-N 3.46Å; E123-F125 VanDerWaalsContact C-N 3.32Å; E123-F125 PolarHBondContact O-N 3.5Å; F125-F127 VanDerWaalsContact C-N 3.25Å; F125-F127 PolarHBondContact O-N 3.46Å; F125-F128 PolarHBondContact O-N 2.89Å; F125-R129 PolarHBondContact O-N 2.87Å
126	L	57.1	Low	60.4	Low	82 Å²	82	76.8 Å²	76.8	43%	0.429	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-34.2	177.3	-69.4	173.6	0	0	0	111.5	A122 E123 R129 V130	A122-L126 PolarHBondContact O-N 3.07Å; A122-L126 VanDerWaalsContact O-N 3.08Å; E123-L126 PolarHBondContact O-N 3.15Å; L126-R129 WeakPolarHBondContact O-CA 3.16Å; L126-R129 VanDerWaalsContact O-CB 3.25Å; L126-R129 WeakPolarHBondContact O-CB 3.35Å; L126-R129 PolarHBondContact O-N 3.05Å; L126-R129 VanDerWaalsContact O-N 3.08Å; L126-V130 WeakPolarHBondContact O-CG2 3.49Å; L126-V130 PolarHBondContact O-N 3.2Å
127	F	59.8	Low	58.4	Low	18 Å²	18	83.8 Å²	83.8	8%	0.079	42%	0.416	C	S	.	.	H	α-helix	trans	-72.8	-31.7	176.6	-80.7	-66.9	0	0	0	115.4	F107 R112 F113 E123 C124 F125 R129 V130 T131	F107-F127 HydrophobicContact CD1-CD1 4.49Å; F107-F127 AromaticContact CD1-CE1 3.87Å; F107-F127 HydrophobicContact CD1-CE1 3.87Å; F107-F127 AromaticContact CD1-CZ 3.88Å; F107-F127 HydrophobicContact CD1-CZ 3.88Å; F107-F127 AromaticContact CE1-CD1 3.41Å; F107-F127 HydrophobicContact CE1-CD1 3.41Å; F107-F127 VanDerWaalsContact CE1-CD1 3.41Å; F107-F127 AromaticContact CE1-CE1 3.01Å; F107-F127 HydrophobicContact CE1-CE1 3.01Å; F107-F127 HydrophobicContact CE1-CE2 4.31Å; F107-F127 HydrophobicContact CE1-CG 4.19Å; F107-F127 AromaticContact CE1-CZ 3.5Å; F107-F127 HydrophobicContact CE1-CZ 3.5Å; F107-F127 VanDerWaalsContact CE1-CZ 3.5Å; F107-F127 HydrophobicContact CE2-CB 4.41Å; F107-F127 AromaticContact CE2-CD1 3.96Å; F107-F127 HydrophobicContact CE2-CD1 3.96Å; F107-F127 HydrophobicContact CE2-CD2 4.38Å; F107-F127 HydrophobicContact CE2-CE1 4.26Å; F107-F127 AromaticContact CE2-CG 3.99Å; F107-F127 HydrophobicContact CE2-CG 3.99Å; F107-F127 HydrophobicContact CZ-CB 4.19Å; F107-F127 AromaticContact CZ-CD1 3.06Å; F107-F127 HydrophobicContact CZ-CD1 3.06Å; F107-F127 HydrophobicContact CZ-CD2 4.2Å; F107-F127 AromaticContact CZ-CE1 3.27Å; F107-F127 HydrophobicContact CZ-CE1 3.27Å; F107-F127 HydrophobicContact CZ-CE2 4.33Å; F107-F127 AromaticContact CZ-CG 3.56Å; F107-F127 HydrophobicContact CZ-CG 3.56Å; F107-F127 AromaticContact CZ-CZ 3.88Å; F107-F127 HydrophobicContact CZ-CZ 3.88Å; R112-F127 VanDerWaalsContact NH1-CE2 3.33Å; F113-F127 AromaticContact CE2-CD2 3.34Å; F113-F127 HydrophobicContact CE2-CD2 3.34Å; F113-F127 AromaticContact CE2-CE2 3.33Å; F113-F127 HydrophobicContact CE2-CE2 3.33Å; F113-F127 HydrophobicContact CE2-CG 4.29Å; F113-F127 HydrophobicContact CE2-CZ 4.31Å; F113-F127 AromaticContact CZ-CD2 3.51Å; F113-F127 HydrophobicContact CZ-CD2 3.51Å; F113-F127 AromaticContact CZ-CE2 3.73Å; F113-F127 HydrophobicContact CZ-CE2 3.73Å; E123-F127 VanDerWaalsContact O-CD2 3.23Å; E123-F127 WeakPolarHBondContact O-CD2 3.24Å; E123-F127 PolarHBondContact O-N 3.26Å; E123-F127 VanDerWaalsContact O-N 3.12Å; C124-F127 PolarHBondContact O-N 2.91Å; F125-F127 VanDerWaalsContact C-N 3.25Å; F125-F127 PolarHBondContact O-N 3.46Å; F127-R129 PolarHBondContact O-N 2.82Å; F127-V130 HydrophobicContact CD1-CB 4.06Å; F127-V130 HydrophobicContact CD1-CG1 4.28Å; F127-V130 PolarHBondContact O-N 2.74Å; F127-T131 PolarHBondContact O-N 2.97Å; F127-T131 PolarHBondContact O-OG1 3.29Å
128	F	61.3	Low	56.6	Low	25 Å²	25	80 Å²	80	11%	0.11	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-23.9	168.9	-68.9	-66.7	0	0	0	111.7	L44 A47 L51 I75 L79 L99 C124 F125 T131	L44-F128 HydrophobicContact CD1-CZ 4.38Å; A47-F128 HydrophobicContact CB-CE2 4.35Å; L51-F128 HydrophobicContact CD1-CB 4.44Å; L51-F128 HydrophobicContact CD1-CD1 4.1Å; L51-F128 HydrophobicContact CD1-CD2 3.52Å; L51-F128 HydrophobicContact CD1-CE1 4.22Å; L51-F128 HydrophobicContact CD1-CE2 3.63Å; L51-F128 HydrophobicContact CD1-CG 3.76Å; L51-F128 HydrophobicContact CD1-CZ 3.99Å; I75-F128 HydrophobicContact CG2-CE1 4.12Å; L79-F128 HydrophobicContact CD1-CE1 4.04Å; L79-F128 HydrophobicContact CD1-CZ 4.42Å; L79-F128 HydrophobicContact CD2-CD1 3.94Å; L79-F128 HydrophobicContact CD2-CE1 3.8Å; L79-F128 HydrophobicContact CG-CE1 4.44Å; L99-F128 HydrophobicContact CD2-CZ 4.27Å; C124-F128 WeakPolarHBondContact O-CD2 3.17Å; C124-F128 PolarHBondContact O-N 2.66Å; F125-F128 PolarHBondContact O-N 2.89Å; F128-T131 PolarHBondContact O-OG1 2.9Å
129	R	51.1	Low	54.9	Low	147 Å²	147	81 Å²	81	56%	0.555	40%	0.402	S	S	*	.	H	α-helix	trans	-76.2	-42.8	166.7	-55.3	178.8	68.5	144.1	6.5	112.1	F125 L126 F127 D132	F125-R129 PolarHBondContact O-N 2.87Å; L126-R129 WeakPolarHBondContact O-CA 3.16Å; L126-R129 VanDerWaalsContact O-CB 3.25Å; L126-R129 WeakPolarHBondContact O-CB 3.35Å; L126-R129 PolarHBondContact O-N 3.05Å; L126-R129 VanDerWaalsContact O-N 3.08Å; F127-R129 PolarHBondContact O-N 2.82Å; R129-D132 WeakPolarHBondContact O-CB 3.38Å; R129-D132 PolarHBondContact O-N 3.43Å
130	V	42.4	Very low	53	Low	70 Å²	70	81.1 Å²	81.1	42%	0.424	40%	0.402	S	S	.	.	H	α-helix	trans	-75.9	-21.5	-174.4	174.2	0	0	0	0	114.3	L126 F127 D132 D133	L126-V130 WeakPolarHBondContact O-CG2 3.49Å; L126-V130 PolarHBondContact O-N 3.2Å; F127-V130 HydrophobicContact CD1-CB 4.06Å; F127-V130 HydrophobicContact CD1-CG1 4.28Å; F127-V130 PolarHBondContact O-N 2.74Å; V130-D132 PolarHBondContact O-N 3.06Å; V130-D133 PolarHBondContact O-N 3.43Å
131	T	48.3	Very low	50.8	Low	55 Å²	55	85.4 Å²	85.4	34%	0.337	41%	0.413	S	S	.	.	H	α-helix	trans	-55.2	-18.7	170	40.9	0	0	0	0	112.7	I75 F127 F128 A135	I75-T131 HydrophobicContact CB-CG2 4.22Å; I75-T131 HydrophobicContact CD1-CG2 3.82Å; I75-T131 HydrophobicContact CG2-CG2 4.2Å; F127-T131 PolarHBondContact O-N 2.97Å; F127-T131 PolarHBondContact O-OG1 3.29Å; F128-T131 PolarHBondContact O-OG1 2.9Å; T131-A135 WeakPolarHBondContact O-CB 3.39Å; T131-A135 PolarHBondContact O-N 3.08Å; T131-A135 VanDerWaalsContact O-N 3.12Å
132	D	47.8	Very low	49.1	Very low	62 Å²	62	86.8 Å²	86.8	33%	0.332	42%	0.416	S	S	.	.	H	α-helix	trans	-68.8	-38.5	173.4	-162.1	-105.1	0	0	0	113.8	R129 V130 R134 A135 K136	R129-D132 WeakPolarHBondContact O-CB 3.38Å; R129-D132 PolarHBondContact O-N 3.43Å; V130-D132 PolarHBondContact O-N 3.06Å; D132-R134 PolarHBondContact O-N 2.67Å; D132-A135 CarbonylContact O-C 3.6Å; D132-A135 PolarHBondContact O-N 3.04Å; D132-K136 PolarHBondContact O-N 3.26Å
133	D	41.4	Very low	47.3	Very low	122 Å²	122	93.7 Å²	93.7	65%	0.652	45%	0.453	S	S	*	.	H	α-helix	trans	-73.1	-32.6	-174.1	-111	-52.5	0	0	0	113.2	V130	V130-D133 PolarHBondContact O-N 3.43Å
134	R	43.4	Very low	46.2	Very low	208 Å²	208	95.1 Å²	95.1	79%	0.785	46%	0.46	S	S	*	.	H	α-helix	trans	-89.9	-18.3	171.8	-69.3	-171.6	-178.6	-178.3	4.2	113	D132	D132-R134 PolarHBondContact O-N 2.67Å
135	A	42.5	Very low	45	Very low	35 Å²	35	100 Å²	100	29%	0.289	48%	0.484	S	S	.	.	S	Bend	trans	-107.7	61.2	172.3	0	0	0	0	0	110.6	T131 D132 Q137	T131-A135 WeakPolarHBondContact O-CB 3.39Å; T131-A135 PolarHBondContact O-N 3.08Å; T131-A135 VanDerWaalsContact O-N 3.12Å; D132-A135 CarbonylContact O-C 3.6Å; D132-A135 PolarHBondContact O-N 3.04Å; A135-Q137 PolarHBondContact O-N 2.76Å; A135-Q137 VanDerWaalsContact O-N 3.09Å
136	K	36.5	Very low	43.9	Very low	178 Å²	178	101.9 Å²	101.9	77%	0.774	49%	0.494	S	S	*	.			trans	-51.6	121.5	171.2	-68.6	-173.4	176.7	-176.3	0	109.7	D132	D132-K136 PolarHBondContact O-N 3.26Å
137	Q	37.3	Very low	43.1	Very low	183 Å²	183	103.1 Å²	103.1	86%	0.855	50%	0.498	S	S	*	.	S	Bend	trans	103.3	47	175.7	-62.5	-178	-27.6	0	0	118.6	A135	A135-Q137 PolarHBondContact O-N 2.76Å; A135-Q137 VanDerWaalsContact O-N 3.09Å
138	S	41.1	Very low	42.1	Very low	23 Å²	23	108.4 Å²	108.4	16%	0.161	53%	0.525	C	S	.	.			trans	-155.5	82	146.9	48	0	0	0	0	110.2	L140	S138-L140 PolarHBondContact O-N 3.18Å
139	E	40.1	Very low	40.8	Very low	144 Å²	144	113.9 Å²	113.9	67%	0.673	55%	0.552	S	S	*	*			trans	-53.4	108.2	-179.2	-75.3	177.4	163.4	0	0	111.2	Y141	E139-Y141 HydrophobicContact CB-CD2 3.95Å; E139-Y141 HydrophobicContact CB-CE2 3.8Å; E139-Y141 VanDerWaalsContact CD-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CD2 4.36Å; E139-Y141 HydrophobicContact CG-CE2 3.68Å
140	L	40.7	Very low	40.1	Very low	46 Å²	46	111.6 Å²	111.6	24%	0.241	55%	0.552	C	S	.	*			trans	-113.6	77.9	167.6	-120.3	163.5	0	0	0	107.4	F57 F61 L64 S138 L142	F57-L140 HydrophobicContact CD2-CD2 3.84Å; F57-L140 HydrophobicContact CE2-CD1 4.12Å; F57-L140 HydrophobicContact CE2-CD2 4.12Å; F61-L140 HydrophobicContact CB-CD1 4.28Å; F61-L140 HydrophobicContact CD2-CD1 3.89Å; L64-L140 HydrophobicContact CD1-CD1 3.36Å; L64-L140 HydrophobicContact CD1-CG 4.09Å; S138-L140 PolarHBondContact O-N 3.18Å; L140-L142 PolarHBondContact O-N 3.27Å
141	Y	33.6	Very low	39.9	Very low	183 Å²	183	114.8 Å²	114.8	72%	0.718	56%	0.562	S	S	*	*			trans	-69.1	95.2	171.6	-72.2	-79.2	0	0	0	109.7	E139	E139-Y141 HydrophobicContact CB-CD2 3.95Å; E139-Y141 HydrophobicContact CB-CE2 3.8Å; E139-Y141 VanDerWaalsContact CD-CE2 3.46Å; E139-Y141 HydrophobicContact CG-CD2 4.36Å; E139-Y141 HydrophobicContact CG-CE2 3.68Å
142	L	34.7	Very low	39.2	Very low	56 Å²	56	119.8 Å²	119.8	29%	0.293	58%	0.581	S	S	.	*			trans	-82.6	105.8	158.1	-78.3	165.6	0	0	0	107.5	F57 L140	F57-L142 HydrophobicContact CB-CD2 4.27Å; F57-L142 HydrophobicContact CD2-CD1 3.62Å; F57-L142 HydrophobicContact CD2-CD2 4.15Å; F57-L142 HydrophobicContact CD2-CG 4.11Å; F57-L142 HydrophobicContact CE2-CD1 3.96Å; L140-L142 PolarHBondContact O-N 3.27Å
143	V	31.5	Very low	38.4	Very low	197 Å²	197	125 Å²	125	100%	1.194	60%	0.603	S	S	*	*			trans	-66.5	0	160.8	-173.7	0	0	0	0	108.1

Retrieved 143 of 143 residues in 41.9 ms (Link to these results)

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