X6RH50_HUMAN Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession X6RH50, Species HUMAN (Homo sapiens, Human), Gene USP54, Length 153 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36	Very low	37	Very low	238 Å²	238	163.3 Å²	163.3	100%	1.172	84%	0.841	S	S	*	*				0	91.8	0	-60.1	174.7	-178.2	0	0	105.6
2	S	44.5	Very low	37.6	Very low	102 Å²	102	171.9 Å²	171.9	71%	0.713	86%	0.855	S	S	*	*				39.5	122	94.3	-156.2	0	0	0	0	109.6
3	W	34.6	Very low	37.6	Very low	235 Å²	235	163.2 Å²	163.2	89%	0.89	84%	0.836	S	S	*	*				-146.7	136.5	66.6	-67	-0.4	0	0	0	112.6
4	K	38.6	Very low	38.1	Very low	200 Å²	200	159.6 Å²	159.6	87%	0.87	83%	0.832	S	S	*	*			trans	-82	142.9	153.9	-93.8	177.7	173.2	175.1	0	108.5
5	R	38.7	Very low	38.6	Very low	236 Å²	236	158 Å²	158	89%	0.891	83%	0.832	S	S	*	*			trans	-145.9	106.8	148.9	-156.5	146.4	-174.7	150.3	-1.5	109.8
6	N	36.4	Very low	38.8	Very low	114 Å²	114	160.3 Å²	160.3	61%	0.61	84%	0.836	S	S	*	*			trans	-87.4	164	167	-89.6	7.4	0	0	0	110.5
7	Y	36.6	Very low	39.2	Very low	180 Å²	180	154.8 Å²	154.8	71%	0.706	83%	0.828	S	S	*	*			trans	89.2	101.2	155	-62	-72.8	0	0	0	117.6
8	F	34.8	Very low	39.7	Very low	220 Å²	220	155.4 Å²	155.4	97%	0.965	83%	0.827	S	S	*	*				-134.1	121.2	111.7	-83.2	-78.5	0	0	0	109.7
9	S	39.7	Very low	40.3	Very low	109 Å²	109	157.6 Å²	157.6	76%	0.762	83%	0.829	S	S	*	*			trans	-83.3	146.5	165	-65.8	0	0	0	0	109.3
10	G	35.8	Very low	40.7	Very low	85 Å²	85	154 Å²	154	88%	0.876	82%	0.823	S	S	*	*			trans	133.1	103.7	154.6	0	0	0	0	0	114.9
11	G	31.1	Very low	41.1	Very low	77 Å²	77	152.3 Å²	152.3	79%	0.794	82%	0.821	S	S	*	*			trans	159.7	74.2	166.8	0	0	0	0	0	113.5	G13	G11-G13 PolarHBondContact O-N 3.39Å
12	R	44.8	Very low	42	Very low	267 Å²	267	151.8 Å²	151.8	100%	1.008	81%	0.806	S	S	*	*			trans	-65.7	97	162.1	-78	-177.2	174.6	-169.1	-1.3	108.1
13	G	37.2	Very low	42.4	Very low	59 Å²	59	150.4 Å²	150.4	61%	0.608	80%	0.796	S	S	*	*			trans	-119.5	98.2	166.8	0	0	0	0	0	108.8	G11 V15	G11-G13 PolarHBondContact O-N 3.39Å; G13-V15 PolarHBondContact O-N 3.17Å
14	S	43.9	Very low	43.3	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	79%	0.788	S	S	*	*			trans	-69.1	91.2	173.8	52.3	0	0	0	0	110.1	Q16	S14-Q16 PolarHBondContact O-N 2.78Å
15	V	46.7	Very low	44	Very low	135 Å²	135	139.3 Å²	139.3	82%	0.818	78%	0.775	S	S	*	*			trans	-86.5	36.4	164.5	-67.4	0	0	0	0	111.3	G13 G17	G13-V15 PolarHBondContact O-N 3.17Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.5Å; V15-G17 VanDerWaalsContact O-N 3.14Å
16	Q	41.4	Very low	44.9	Very low	194 Å²	194	130 Å²	130	91%	0.907	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	66.9	178.9	-155.7	168.7	10.8	0	0	108.7	S14	S14-Q16 PolarHBondContact O-N 2.78Å
17	G	45.2	Very low	46.8	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.4	-9	-178.1	0	0	0	0	0	116.7	V15	V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.5Å; V15-G17 VanDerWaalsContact O-N 3.14Å
18	M	49.3	Very low	49	Very low	166 Å²	166	122.5 Å²	122.5	82%	0.818	72%	0.718	S	S	*	*	S	Bend	trans	-102.5	2.9	-171.7	-67	-174.4	74.9	0	0	115.5
19	F	50	Low	51.4	Low	197 Å²	197	114.6 Å²	114.6	86%	0.864	69%	0.689	S	S	*	*			trans	-134.2	50.5	177.3	-67.1	-81.1	0	0	0	111.3	P21	F19-P21 VanDerWaalsContact O-CD 3.31Å; F19-P21 WeakPolarHBondContact O-CD 3.41Å
20	A	48	Very low	53.8	Low	85 Å²	85	113.8 Å²	113.8	70%	0.702	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.1	153.1	0	0	0	0	0	106.3	R22	A20-R22 PolarHBondContact O-N 3.03Å
21	P	48.8	Very low	56.7	Low	120 Å²	120	111 Å²	111	78%	0.779	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.6	129.5	173.6	21	-29.2	0	0	0	107.3	F19 S23	F19-P21 VanDerWaalsContact O-CD 3.31Å; F19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-S23 PolarHBondContact O-N 3.39Å; P21-S23 VanDerWaalsContact O-N 3.1Å
22	R	56.3	Low	59.8	Low	227 Å²	227	109 Å²	109	86%	0.857	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-47.1	126.4	171.9	-76.4	-174.2	165.2	-161.2	-3.5	107	A20 S24	A20-R22 PolarHBondContact O-N 3.03Å; R22-S24 PolarHBondContact O-N 3.03Å; R22-S24 VanDerWaalsContact O-N 3.12Å
23	S	53.1	Low	62.4	Low	72 Å²	72	97.5 Å²	97.5	50%	0.503	58%	0.584	S	S	.	*			trans	-45.3	123.1	-179.1	-178.8	0	0	0	0	109.7	P21 T25 S26	P21-S23 PolarHBondContact O-N 3.39Å; P21-S23 VanDerWaalsContact O-N 3.1Å; S23-T25 WeakPolarHBondContact CB-OG1 3.32Å; S23-T25 PolarHBondContact O-N 3.31Å; S23-T25 WeakPolarHBondContact OG-CG2 3.41Å; S23-T25 PolarHBondContact OG-OG1 3.36Å; S23-S26 PolarHBondContact O-N 2.99Å
24	S	52.7	Low	65.2	Low	104 Å²	104	95.8 Å²	95.8	73%	0.727	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-58.7	-8.4	177.7	52.4	0	0	0	0	113	R22 S26	R22-S24 PolarHBondContact O-N 3.03Å; R22-S24 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact O-N 3.26Å
25	T	53.1	Low	67.7	Low	99 Å²	99	93.6 Å²	93.6	61%	0.607	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-67.1	-13.7	170.9	62.5	0	0	0	0	114.5	S23	S23-T25 WeakPolarHBondContact CB-OG1 3.32Å; S23-T25 PolarHBondContact O-N 3.31Å; S23-T25 WeakPolarHBondContact OG-CG2 3.41Å; S23-T25 PolarHBondContact OG-OG1 3.36Å
26	S	58.3	Low	70	Confident	41 Å²	41	92.8 Å²	92.8	29%	0.287	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-86.3	-19	178.4	80.5	0	0	0	0	114.1	S23 S24 A28 R58	S23-S26 PolarHBondContact O-N 2.99Å; S24-S26 PolarHBondContact O-N 3.26Å; S26-A28 PolarHBondContact O-N 2.69Å; S26-R58 PolarHBondContact O-NH2 3.05Å
27	I	75.3	Confident	72.5	Confident	130 Å²	130	89.6 Å²	89.6	67%	0.667	53%	0.526	S	S	*	.	S	Bend	trans	-83.4	117.6	-175.9	-56.6	175.8	0	0	0	108.3
28	A	82.6	Confident	74.7	Confident	6 Å²	6	88.8 Å²	88.8	5%	0.05	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-68.4	138.1	174.9	0	0	0	0	0	110.7	S26 S30 W52	S26-A28 PolarHBondContact O-N 2.69Å; A28-S30 PolarHBondContact O-N 2.65Å; A28-S30 VanDerWaalsContact O-N 3.16Å; A28-W52 HydrophobicContact CB-CZ2 4.31Å
29	P	86.1	Confident	76.8	Confident	53 Å²	53	83.3 Å²	83.3	34%	0.344	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-60.6	123.1	172.2	25.9	-33.1	0	0	0	108.5	W52	P29-W52 HydrophobicContact CG-CZ2 3.86Å; P29-W52 PolarHBondContact O-NE1 3.25Å
30	S	90.6	Very high	79	Confident	93 Å²	93	76.8 Å²	76.8	65%	0.65	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-84.6	130.7	178.6	-54.3	0	0	0	0	109.7	A28 H53	A28-S30 PolarHBondContact O-N 2.65Å; A28-S30 VanDerWaalsContact O-N 3.16Å; S30-H53 PolarHBondContact OG-NE2 3.31Å
31	K	95.8	Very high	81.4	Confident	27 Å²	27	73 Å²	73	12%	0.117	43%	0.432	C	S	.	.			trans	-137.9	148.8	174.4	-62.8	179.5	178.4	-167.9	0	109.5	Q49 Q85 F86 S89 E91 L94	K31-Q49 PolarHBondContact O-NE2 3.25Å; K31-Q85 PolarHBondContact NZ-O 3.34Å; K31-F86 HydrophobicContact CB-CD1 3.91Å; K31-F86 HydrophobicContact CB-CE1 3.86Å; K31-F86 HydrophobicContact CD-CD1 4.18Å; K31-F86 VanDerWaalsContact CE-O 3.24Å; K31-F86 WeakPolarHBondContact CE-O 3.43Å; K31-F86 HydrophobicContact CG-CD1 4.33Å; K31-F86 PolarHBondContact NZ-O 2.72Å; K31-S89 VanDerWaalsContact NZ-C 3.29Å; K31-S89 PolarHBondContact NZ-O 3.11Å; K31-E91 VanDerWaalsContact CD-O 3.31Å; K31-E91 WeakPolarHBondContact CD-O 3.4Å; K31-E91 WeakPolarHBondContact CE-O 3.31Å; K31-E91 PolarHBondContact NZ-O 2.98Å; K31-L94 HydrophobicContact CB-CD1 4.37Å; K31-L94 HydrophobicContact CB-CG 4.47Å; K31-L94 HydrophobicContact CD-CD1 3.68Å; K31-L94 HydrophobicContact CD-CD2 4.4Å; K31-L94 HydrophobicContact CD-CG 4.03Å
32	G	97.2	Very high	83.7	Confident	34 Å²	34	69.6 Å²	69.6	35%	0.351	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	163.2	172.3	0	0	0	0	0	111.8	K92 V93 L94	G32-K92 PolarHBondContact N-O 3.21Å; G32-V93 CarbonylContact O-C 3.6Å; G32-V93 WeakPolarHBondContact O-CA 3.46Å; G32-L94 PolarHBondContact O-N 2.88Å
33	L	97.9	Very high	85.7	Confident	25 Å²	25	59.1 Å²	59.1	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.2	170	-67.6	165	0	0	0	108.3	N45 L48 Q49 I82 F86 L94	L33-N45 HydrophobicContact CB-CB 4Å; L33-N45 VanDerWaalsContact CB-CG 3.44Å; L33-N45 WeakPolarHBondContact CB-ND2 3.28Å; L33-N45 HydrophobicContact CD1-CB 3.7Å; L33-L48 HydrophobicContact CD1-CB 4.15Å; L33-L48 HydrophobicContact CD1-CD2 3.78Å; L33-L48 HydrophobicContact CD1-CG 4.2Å; L33-L48 HydrophobicContact CD2-CD2 4.06Å; L33-Q49 HydrophobicContact CD1-CG 4.03Å; L33-I82 HydrophobicContact CD2-CD1 3.87Å; L33-F86 HydrophobicContact CD1-CZ 4.18Å; L33-F86 HydrophobicContact CD2-CE2 4.17Å; L33-F86 HydrophobicContact CD2-CZ 3.73Å; L33-F86 HydrophobicContact CG-CZ 4.03Å; L33-L94 VanDerWaalsContact CA-O 3.29Å; L33-L94 WeakPolarHBondContact CA-O 3.46Å; L33-L94 HydrophobicContact CD2-CB 4.12Å
34	S	97.4	Very high	87.8	Confident	24 Å²	24	55.7 Å²	55.7	17%	0.168	35%	0.348	C	S	.	.			trans	-66.5	148.9	178.2	56.6	0	0	0	0	110.9	N45 L94 P95	S34-N45 PolarHBondContact O-ND2 3.12Å; S34-L94 PolarHBondContact N-O 3.08Å; S34-L94 PolarHBondContact OG-O 3.12Å; S34-P95 WeakPolarHBondContact OG-CA 3.27Å
35	N	96.3	Very high	90	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	32%	0.317	S	S	.	.			trans	-156	85.2	172.7	-177	48.7	0	0	0	108.1	S41	N35-S41 PolarHBondContact OD1-N 2.93Å
36	E	94.3	Very high	92.1	Very high	119 Å²	119	49.7 Å²	49.7	56%	0.556	31%	0.309	S	S	*	.			trans	-69.4	155.7	178.9	-62	-55.8	141.3	0	0	111	G38 Q39	E36-G38 PolarHBondContact O-N 3.11Å; E36-Q39 HydrophobicContact CB-CG 4.03Å; E36-Q39 WeakPolarHBondContact O-CB 3.35Å; E36-Q39 PolarHBondContact O-N 3.2Å
37	P	93.4	Very high	94	Very high	126 Å²	126	47.9 Å²	47.9	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	129.7	177.6	-27.5	35.5	0	0	0	112.4	Q39	P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 PolarHBondContact O-N 2.99Å
38	G	92.1	Very high	95.1	Very high	51 Å²	51	41.7 Å²	41.7	53%	0.526	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-9.7	-179.1	0	0	0	0	0	115.4	E36 N40 G116	E36-G38 PolarHBondContact O-N 3.11Å; G38-N40 VanDerWaalsContact C-N 3.32Å; G38-G116 WeakPolarHBondContact O-CA 3.47Å
39	Q	94.2	Very high	95.8	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.238	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-30.7	172.6	-69	-168.6	-42.8	0	0	112.5	E36 P37 S41 D97	E36-Q39 HydrophobicContact CB-CG 4.03Å; E36-Q39 WeakPolarHBondContact O-CB 3.35Å; E36-Q39 PolarHBondContact O-N 3.2Å; P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 PolarHBondContact O-N 2.99Å; Q39-S41 PolarHBondContact O-N 3.32Å; Q39-S41 PolarHBondContact O-OG 3.45Å; Q39-D97 PolarHBondContact NE2-OD1 3.45Å
40	N	96.2	Very high	96.3	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	28%	0.278	S	S	.	.			trans	49.5	36.5	178.1	-65.4	-30.5	0	0	0	113.3	G38 F43 G116 M118	G38-N40 VanDerWaalsContact C-N 3.32Å; N40-F43 WeakPolarHBondContact O-CD1 3.47Å; N40-F43 WeakPolarHBondContact O-CE1 3.47Å; N40-G116 PolarHBondContact ND2-O 3.27Å; N40-M118 HydrophobicContact CB-CB 4.1Å
41	S	97.3	Very high	96.6	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	25%	0.247	C	C	.	.			trans	-94.3	8.6	-174.9	-64.1	0	0	0	0	113.5	N35 Q39 F43 L44 N45 R100	N35-S41 PolarHBondContact OD1-N 2.93Å; Q39-S41 PolarHBondContact O-N 3.32Å; Q39-S41 PolarHBondContact O-OG 3.45Å; S41-F43 VanDerWaalsContact C-N 3.26Å; S41-F43 PolarHBondContact O-N 2.76Å; S41-L44 PolarHBondContact O-N 3.25Å; S41-N45 WeakPolarHBondContact O-CB 3.46Å; S41-N45 VanDerWaalsContact O-CG 3.3Å; S41-N45 PolarHBondContact O-N 3.21Å; S41-R100 VanDerWaalsContact OG-CD 3.26Å; S41-R100 WeakPolarHBondContact OG-CD 3.38Å; S41-R100 PolarHBondContact OG-NE 3.33Å
42	C	97.3	Very high	96.7	Very high	50 Å²	50	39.2 Å²	39.2	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-34.7	-178.9	56	0	0	0	0	113.2	N45 S46	C42-N45 PolarHBondContact O-N 3.49Å; C42-S46 WeakPolarHBondContact O-CB 3.08Å; C42-S46 PolarHBondContact O-N 3.04Å; C42-S46 PolarHBondContact O-OG 3.42Å
43	F	98.2	Very high	96.6	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-48.7	176.8	72.3	-89.8	0	0	0	111.6	N40 S41 S46 A47 L103 F113 M118 D119 A121 C124	N40-F43 WeakPolarHBondContact O-CD1 3.47Å; N40-F43 WeakPolarHBondContact O-CE1 3.47Å; S41-F43 VanDerWaalsContact C-N 3.26Å; S41-F43 PolarHBondContact O-N 2.76Å; F43-S46 PolarHBondContact O-N 3.22Å; F43-A47 PolarHBondContact O-N 3.07Å; F43-A47 VanDerWaalsContact O-N 3.08Å; F43-L103 HydrophobicContact CE2-CD2 3.99Å; F43-F113 HydrophobicContact CD2-CD1 4.25Å; F43-F113 HydrophobicContact CE2-CB 4.48Å; F43-F113 AromaticContact CE2-CD1 3.54Å; F43-F113 HydrophobicContact CE2-CD1 3.54Å; F43-F113 HydrophobicContact CE2-CE1 4.24Å; F43-F113 HydrophobicContact CE2-CG 4.39Å; F43-F113 HydrophobicContact CZ-CB 4.41Å; F43-F113 HydrophobicContact CZ-CD1 4.13Å; F43-M118 HydrophobicContact CD1-CG 4.48Å; F43-D119 WeakPolarHBondContact CB-O 3.37Å; F43-D119 HydrophobicContact CD1-CB 4.27Å; F43-D119 HydrophobicContact CD2-CB 4.05Å; F43-D119 HydrophobicContact CE1-CB 4.21Å; F43-D119 HydrophobicContact CE2-CB 4.04Å; F43-D119 HydrophobicContact CG-CB 4.19Å; F43-D119 WeakPolarHBondContact CG-O 3.36Å; F43-D119 HydrophobicContact CZ-CB 4.11Å; F43-A121 HydrophobicContact CB-CB 4.22Å; F43-C124 HydrophobicContact CD2-CB 3.77Å; F43-C124 HydrophobicContact CE2-CB 4.21Å
44	L	98.4	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-44.2	176.2	172.9	60.9	0	0	0	110.7	S41 S46 A47 L48 L99 R100 L103 L128	S41-L44 PolarHBondContact O-N 3.25Å; L44-S46 PolarHBondContact O-N 2.82Å; L44-A47 PolarHBondContact O-N 3.14Å; L44-L48 VanDerWaalsContact O-CB 3.23Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 PolarHBondContact O-N 2.81Å; L44-L99 HydrophobicContact CD1-CD2 3.86Å; L44-L99 HydrophobicContact CD1-CG 4.12Å; L44-L99 HydrophobicContact CD2-CB 4.43Å; L44-L99 HydrophobicContact CD2-CD2 4.49Å; L44-L99 HydrophobicContact CD2-CG 4.21Å; L44-R100 HydrophobicContact CD2-CB 3.77Å; L44-R100 HydrophobicContact CD2-CG 4.38Å; L44-L103 HydrophobicContact CD1-CD2 4.29Å; L44-L128 HydrophobicContact CD1-CD1 4.06Å
45	N	98.1	Very high	96.2	Very high	14 Å²	14	45 Å²	45	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-39.1	179.4	-71.9	-6.6	0	0	0	110.8	L33 S34 S41 C42 L48 Q49 S96	L33-N45 HydrophobicContact CB-CB 4Å; L33-N45 VanDerWaalsContact CB-CG 3.44Å; L33-N45 WeakPolarHBondContact CB-ND2 3.28Å; L33-N45 HydrophobicContact CD1-CB 3.7Å; S34-N45 PolarHBondContact O-ND2 3.12Å; S41-N45 WeakPolarHBondContact O-CB 3.46Å; S41-N45 VanDerWaalsContact O-CG 3.3Å; S41-N45 PolarHBondContact O-N 3.21Å; C42-N45 PolarHBondContact O-N 3.49Å; N45-L48 PolarHBondContact O-N 3.43Å; N45-Q49 WeakPolarHBondContact O-CB 3.41Å; N45-Q49 WeakPolarHBondContact O-CG 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; N45-S96 WeakPolarHBondContact OD1-CB 3.46Å; N45-S96 PolarHBondContact OD1-OG 2.88Å
46	S	98.1	Very high	96	Very high	64 Å²	64	48.4 Å²	48.4	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-48.4	177	-56.9	0	0	0	0	111.3	C42 F43 L44 L48 Q49 V50	C42-S46 WeakPolarHBondContact O-CB 3.08Å; C42-S46 PolarHBondContact O-N 3.04Å; C42-S46 PolarHBondContact O-OG 3.42Å; F43-S46 PolarHBondContact O-N 3.22Å; L44-S46 PolarHBondContact O-N 2.82Å; S46-L48 PolarHBondContact O-N 3.19Å; S46-Q49 PolarHBondContact O-N 3.28Å; S46-V50 WeakPolarHBondContact O-CG2 3.31Å; S46-V50 PolarHBondContact O-N 3.17Å
47	A	98.1	Very high	96	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-42.2	175.9	0	0	0	0	0	112.5	F43 L44 Q49 V50 L51 C124 F125 L128	F43-A47 PolarHBondContact O-N 3.07Å; F43-A47 VanDerWaalsContact O-N 3.08Å; L44-A47 PolarHBondContact O-N 3.14Å; A47-Q49 PolarHBondContact O-N 3.09Å; A47-V50 PolarHBondContact O-N 3.04Å; A47-L51 PolarHBondContact O-N 3.13Å; A47-C124 HydrophobicContact CB-CB 4.47Å; A47-F125 HydrophobicContact CB-CB 3.98Å; A47-L128 HydrophobicContact CB-CD1 4.16Å
48	L	97.8	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-38.9	-179.6	-175.9	61.5	0	0	0	112.3	L33 L44 N45 S46 V50 L51 W52 L79 I82 F83 F86 L99	L33-L48 HydrophobicContact CD1-CB 4.15Å; L33-L48 HydrophobicContact CD1-CD2 3.78Å; L33-L48 HydrophobicContact CD1-CG 4.2Å; L33-L48 HydrophobicContact CD2-CD2 4.06Å; L44-L48 VanDerWaalsContact O-CB 3.23Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 PolarHBondContact O-N 2.81Å; N45-L48 PolarHBondContact O-N 3.43Å; S46-L48 PolarHBondContact O-N 3.19Å; L48-V50 VanDerWaalsContact C-N 3.33Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-W52 WeakPolarHBondContact O-CB 3.37Å; L48-W52 PolarHBondContact O-N 2.65Å; L48-L79 HydrophobicContact CD1-CD1 3.3Å; L48-I82 HydrophobicContact CD1-CG2 3.94Å; L48-I82 HydrophobicContact CD2-CD1 3.56Å; L48-I82 HydrophobicContact CD2-CG1 4Å; L48-I82 HydrophobicContact CD2-CG2 3.92Å; L48-F83 HydrophobicContact CD1-CD1 4.31Å; L48-F83 HydrophobicContact CD1-CE1 3.73Å; L48-F86 HydrophobicContact CD2-CE2 4.06Å; L48-F86 HydrophobicContact CG-CE2 4.12Å; L48-L99 HydrophobicContact CD1-CD2 3.92Å; L48-L99 HydrophobicContact CD2-CD2 4.16Å
49	Q	97.6	Very high	96.1	Very high	47 Å²	47	40.3 Å²	40.3	22%	0.22	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.5	-71.8	-70.6	-20.8	0	0	111.2	K31 L33 N45 S46 A47 W52 H53	K31-Q49 PolarHBondContact O-NE2 3.25Å; L33-Q49 HydrophobicContact CD1-CG 4.03Å; N45-Q49 WeakPolarHBondContact O-CB 3.41Å; N45-Q49 WeakPolarHBondContact O-CG 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; S46-Q49 PolarHBondContact O-N 3.28Å; A47-Q49 PolarHBondContact O-N 3.09Å; Q49-W52 PolarHBondContact O-N 3.37Å; Q49-H53 PolarHBondContact O-N 2.75Å; Q49-H53 VanDerWaalsContact O-N 3.16Å; Q49-H53 PolarHBondContact O-ND1 2.63Å; Q49-H53 PolarHBondContact OE1-CE1 3.02Å
50	V	96.8	Very high	96.1	Very high	75 Å²	75	39.6 Å²	39.6	46%	0.455	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-53.6	175	176	0	0	0	0	110.2	S46 A47 L48 W52 H53 L54 F125	S46-V50 WeakPolarHBondContact O-CG2 3.31Å; S46-V50 PolarHBondContact O-N 3.17Å; A47-V50 PolarHBondContact O-N 3.04Å; L48-V50 VanDerWaalsContact C-N 3.33Å; V50-W52 VanDerWaalsContact C-N 3.3Å; V50-W52 PolarHBondContact O-N 2.66Å; V50-H53 PolarHBondContact O-N 3.21Å; V50-H53 VanDerWaalsContact O-N 3.12Å; V50-L54 HydrophobicContact CG1-CD1 4.1Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 3.39Å; V50-F125 HydrophobicContact CB-CD2 4.43Å; V50-F125 HydrophobicContact CB-CE2 4.35Å; V50-F125 HydrophobicContact CG1-CD2 4.22Å; V50-F125 HydrophobicContact CG1-CE2 3.74Å; V50-F125 HydrophobicContact CG1-CZ 4.44Å
51	L	96.7	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-41.3	-179.8	-71	171.6	0	0	0	112.9	A47 L48 F57 F83 F125 L128 L129	A47-L51 PolarHBondContact O-N 3.13Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-F57 HydrophobicContact CB-CD1 4.33Å; L51-F57 HydrophobicContact CB-CE1 4.08Å; L51-F57 HydrophobicContact CD2-CD1 4.16Å; L51-F57 HydrophobicContact CD2-CD2 4.45Å; L51-F57 HydrophobicContact CD2-CE1 3.86Å; L51-F57 HydrophobicContact CD2-CE2 4.15Å; L51-F57 HydrophobicContact CD2-CG 4.45Å; L51-F57 HydrophobicContact CD2-CZ 3.84Å; L51-F57 HydrophobicContact CG-CE1 4.45Å; L51-F57 WeakPolarHBondContact O-CD1 3.43Å; L51-F83 HydrophobicContact CB-CZ 4.02Å; L51-F125 HydrophobicContact CD2-CD2 4.03Å; L51-F125 HydrophobicContact CD2-CE2 3.45Å; L51-F125 VanDerWaalsContact CD2-CE2 3.45Å; L51-F125 HydrophobicContact CD2-CZ 4.22Å; L51-F125 HydrophobicContact CG-CD2 3.99Å; L51-F125 HydrophobicContact CG-CE2 3.8Å; L51-L128 HydrophobicContact CD1-CB 4.13Å; L51-L128 HydrophobicContact CD1-CD1 3.81Å; L51-L129 HydrophobicContact CD2-CD2 3.74Å; L51-L129 HydrophobicContact CD2-CG 4.43Å
52	W	96.9	Very high	96	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-37.9	178.8	177.2	-116.2	0	0	0	112.9	A28 P29 L48 Q49 V50 R58 F83 F86 Q87	A28-W52 HydrophobicContact CB-CZ2 4.31Å; P29-W52 HydrophobicContact CG-CZ2 3.86Å; P29-W52 PolarHBondContact O-NE1 3.25Å; L48-W52 WeakPolarHBondContact O-CB 3.37Å; L48-W52 PolarHBondContact O-N 2.65Å; Q49-W52 PolarHBondContact O-N 3.37Å; V50-W52 VanDerWaalsContact C-N 3.3Å; V50-W52 PolarHBondContact O-N 2.66Å; W52-R58 HydrophobicContact CE3-CG 3.84Å; W52-R58 HydrophobicContact CH2-CG 4.24Å; W52-R58 HydrophobicContact CZ3-CG 3.67Å; W52-R58 WeakPolarHBondContact O-CD 3.35Å; W52-F83 HydrophobicContact CB-CE1 4.16Å; W52-F83 HydrophobicContact CB-CZ 4.32Å; W52-F83 HydrophobicContact CE3-CB 4.27Å; W52-F83 AromaticContact CE3-CD1 3.85Å; W52-F83 HydrophobicContact CE3-CD1 3.85Å; W52-F83 AromaticContact CE3-CD2 3.78Å; W52-F83 HydrophobicContact CE3-CD2 3.78Å; W52-F83 HydrophobicContact CE3-CE1 4.05Å; W52-F83 HydrophobicContact CE3-CE2 4.01Å; W52-F83 AromaticContact CE3-CG 3.71Å; W52-F83 HydrophobicContact CE3-CG 3.71Å; W52-F83 HydrophobicContact CE3-CZ 4.13Å; W52-F83 HydrophobicContact CZ3-CB 3.98Å; W52-F83 HydrophobicContact CZ3-CD1 4.43Å; W52-F83 AromaticContact CZ3-CD2 3.93Å; W52-F83 HydrophobicContact CZ3-CD2 3.93Å; W52-F83 AromaticContact CZ3-CG 3.88Å; W52-F83 HydrophobicContact CZ3-CG 3.88Å; W52-F86 AromaticContact CD1-CD1 3.95Å; W52-F86 HydrophobicContact CD2-CB 3.79Å; W52-F86 HydrophobicContact CD2-CD1 4.39Å; W52-F86 HydrophobicContact CD2-CD2 4.19Å; W52-F86 AromaticContact CD2-CG 3.9Å; W52-F86 HydrophobicContact CD2-CG 3.9Å; W52-F86 AromaticContact CE2-CG 3.91Å; W52-F86 HydrophobicContact CE3-CB 3.97Å; W52-F86 HydrophobicContact CE3-CD2 4.39Å; W52-F86 HydrophobicContact CE3-CG 4.34Å; W52-F86 HydrophobicContact CG-CD1 4.29Å; W52-F86 HydrophobicContact CG-CD2 4.28Å; W52-F86 HydrophobicContact CG-CG 4.14Å; W52-F86 HydrophobicContact CH2-CB 3.7Å; W52-F86 HydrophobicContact CZ2-CB 3.49Å; W52-F86 VanDerWaalsContact CZ2-CB 3.49Å; W52-F86 HydrophobicContact CZ2-CG 4.38Å; W52-F86 HydrophobicContact CZ3-CB 3.93Å; W52-F86 AromaticContact NE1-CD1 3.81Å; W52-Q87 HydrophobicContact CH2-CB 4.07Å
53	H	95.9	Very high	95.9	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.37	24%	0.237	S	C	.	.	H	α-helix	trans	-87.2	-9	-177	-67.6	92.8	0	0	0	113.6	S30 Q49 V50 D55	S30-H53 PolarHBondContact OG-NE2 3.31Å; Q49-H53 PolarHBondContact O-N 2.75Å; Q49-H53 VanDerWaalsContact O-N 3.16Å; Q49-H53 PolarHBondContact O-ND1 2.63Å; Q49-H53 PolarHBondContact OE1-CE1 3.02Å; V50-H53 PolarHBondContact O-N 3.21Å; V50-H53 VanDerWaalsContact O-N 3.12Å; H53-D55 PolarHBondContact O-N 2.74Å; H53-D55 VanDerWaalsContact O-N 3.11Å
54	L	94.6	Very high	95.7	Very high	77 Å²	77	49 Å²	49	40%	0.403	24%	0.242	S	C	.	.			trans	-71.8	99.3	167.3	-72.2	174	0	0	0	110	V50 I56 F57 R58 F125	V50-L54 HydrophobicContact CG1-CD1 4.1Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 3.39Å; L54-I56 PolarHBondContact O-N 3.04Å; L54-F57 HydrophobicContact CB-CB 3.85Å; L54-F57 PolarHBondContact O-N 2.89Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 PolarHBondContact O-N 3.37Å; L54-F125 HydrophobicContact CD1-CE2 4.26Å; L54-F125 HydrophobicContact CD1-CZ 4.23Å
55	D	92.4	Very high	95.4	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-47.2	-169.5	-170.6	27	0	0	0	113.6	H53 R58 R59	H53-D55 PolarHBondContact O-N 2.74Å; H53-D55 VanDerWaalsContact O-N 3.11Å; D55-R58 IonicContact OD1-CZ 3.35Å; D55-R58 IonicContact OD1-NE 2.66Å; D55-R58 IonicContact OD1-NH2 3.39Å; D55-R58 PolarHBondContact OD1-NH2 3.38Å; D55-R59 WeakPolarHBondContact O-CB 3.35Å; D55-R59 VanDerWaalsContact O-CG 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.36Å; D55-R59 PolarHBondContact O-N 3.39Å; D55-R59 IonicContact OD1-CZ 3.21Å; D55-R59 IonicContact OD1-NE 3.23Å; D55-R59 PolarHBondContact OD1-NE 2.92Å; D55-R59 IonicContact OD1-NH2 3.09Å; D55-R59 PolarHBondContact OD1-NH2 3.26Å; D55-R59 IonicContact OD2-CZ 2.75Å; D55-R59 VanDerWaalsContact OD2-CZ 3.23Å; D55-R59 IonicContact OD2-NE 3.89Å; D55-R59 PolarHBondContact OD2-NE 3.36Å; D55-R59 IonicContact OD2-NH2 3.77Å; D55-R59 PolarHBondContact OD2-NH2 3.03Å
56	I	92.1	Very high	95.1	Very high	139 Å²	139	59.1 Å²	59.1	71%	0.713	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-52.3	179.9	-61.7	174.8	0	0	0	109.7	L54 R58 R59 S60	L54-I56 PolarHBondContact O-N 3.04Å; I56-R58 PolarHBondContact O-N 3.28Å; I56-R59 PolarHBondContact O-N 2.86Å; I56-S60 WeakPolarHBondContact O-CB 3.12Å; I56-S60 PolarHBondContact O-N 3.4Å; I56-S60 PolarHBondContact O-OG 3Å
57	F	94.8	Very high	95	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-51.9	178.5	179.6	-88.8	0	0	0	111.5	L51 L54 R59 S60 F61 L79 F83 L129 I132 I151	L51-F57 HydrophobicContact CB-CD1 4.33Å; L51-F57 HydrophobicContact CB-CE1 4.08Å; L51-F57 HydrophobicContact CD2-CD1 4.16Å; L51-F57 HydrophobicContact CD2-CD2 4.45Å; L51-F57 HydrophobicContact CD2-CE1 3.86Å; L51-F57 HydrophobicContact CD2-CE2 4.15Å; L51-F57 HydrophobicContact CD2-CG 4.45Å; L51-F57 HydrophobicContact CD2-CZ 3.84Å; L51-F57 HydrophobicContact CG-CE1 4.45Å; L51-F57 WeakPolarHBondContact O-CD1 3.43Å; L54-F57 HydrophobicContact CB-CB 3.85Å; L54-F57 PolarHBondContact O-N 2.89Å; F57-R59 PolarHBondContact O-N 3.37Å; F57-S60 PolarHBondContact O-N 2.88Å; F57-F61 HydrophobicContact CD1-CB 4.49Å; F57-F61 HydrophobicContact CE1-CB 4.21Å; F57-F61 HydrophobicContact CE1-CG 4.37Å; F57-F61 HydrophobicContact CZ-CD2 4.46Å; F57-F61 HydrophobicContact CZ-CG 4.49Å; F57-F61 WeakPolarHBondContact O-CB 3.45Å; F57-F61 PolarHBondContact O-N 2.89Å; F57-L79 HydrophobicContact CZ-CD2 4.4Å; F57-F83 HydrophobicContact CD1-CE2 4.19Å; F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 AromaticContact CE1-CE2 3.9Å; F57-F83 HydrophobicContact CE1-CE2 3.9Å; F57-F83 AromaticContact CE1-CZ 3.96Å; F57-F83 HydrophobicContact CE1-CZ 3.96Å; F57-L129 HydrophobicContact CD2-CD2 4.23Å; F57-L129 HydrophobicContact CE2-CD2 3.66Å; F57-L129 HydrophobicContact CZ-CD2 4.32Å; F57-I132 HydrophobicContact CE2-CD1 4.27Å; F57-I132 HydrophobicContact CZ-CD1 3.68Å; F57-I151 HydrophobicContact CD2-CD1 3.82Å; F57-I151 HydrophobicContact CD2-CG1 4.23Å; F57-I151 HydrophobicContact CE2-CD1 3.56Å; F57-I151 HydrophobicContact CE2-CG1 3.99Å; F57-I151 HydrophobicContact CG-CD1 4.49Å; F57-I151 HydrophobicContact CZ-CD1 4.03Å
58	R	94.8	Very high	94.8	Very high	15 Å²	15	62.5 Å²	62.5	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-47.1	179.7	176.3	-169.5	57.3	161.4	-7.8	112.1	S26 W52 L54 D55 I56 R62	S26-R58 PolarHBondContact O-NH2 3.05Å; W52-R58 HydrophobicContact CE3-CG 3.84Å; W52-R58 HydrophobicContact CH2-CG 4.24Å; W52-R58 HydrophobicContact CZ3-CG 3.67Å; W52-R58 WeakPolarHBondContact O-CD 3.35Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 PolarHBondContact O-N 3.37Å; D55-R58 IonicContact OD1-CZ 3.35Å; D55-R58 IonicContact OD1-NE 2.66Å; D55-R58 IonicContact OD1-NH2 3.39Å; D55-R58 PolarHBondContact OD1-NH2 3.38Å; I56-R58 PolarHBondContact O-N 3.28Å; R58-R62 WeakPolarHBondContact O-CB 3.41Å; R58-R62 PolarHBondContact O-N 2.77Å
59	R	93.1	Very high	94.8	Very high	95 Å²	95	66 Å²	66	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-67.2	-46.6	-178.6	-72.2	-179.8	-166.5	-167.2	10.3	111.6	D55 I56 F57 R62 Q63	D55-R59 WeakPolarHBondContact O-CB 3.35Å; D55-R59 VanDerWaalsContact O-CG 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.36Å; D55-R59 PolarHBondContact O-N 3.39Å; D55-R59 IonicContact OD1-CZ 3.21Å; D55-R59 IonicContact OD1-NE 3.23Å; D55-R59 PolarHBondContact OD1-NE 2.92Å; D55-R59 IonicContact OD1-NH2 3.09Å; D55-R59 PolarHBondContact OD1-NH2 3.26Å; D55-R59 IonicContact OD2-CZ 2.75Å; D55-R59 VanDerWaalsContact OD2-CZ 3.23Å; D55-R59 IonicContact OD2-NE 3.89Å; D55-R59 PolarHBondContact OD2-NE 3.36Å; D55-R59 IonicContact OD2-NH2 3.77Å; D55-R59 PolarHBondContact OD2-NH2 3.03Å; I56-R59 PolarHBondContact O-N 2.86Å; F57-R59 PolarHBondContact O-N 3.37Å; R59-R62 WeakPolarHBondContact O-CB 3.47Å; R59-R62 PolarHBondContact O-N 3.26Å; R59-Q63 PolarHBondContact O-N 3.12Å
60	S	94.3	Very high	94.7	Very high	37 Å²	37	67.8 Å²	67.8	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-47	179.7	-57	0	0	0	0	110.7	I56 F57 R62 Q63 L64 I151	I56-S60 WeakPolarHBondContact O-CB 3.12Å; I56-S60 PolarHBondContact O-N 3.4Å; I56-S60 PolarHBondContact O-OG 3Å; F57-S60 PolarHBondContact O-N 2.88Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.04Å; S60-Q63 WeakPolarHBondContact O-CB 3.43Å; S60-Q63 PolarHBondContact O-N 3.41Å; S60-L64 PolarHBondContact O-N 3Å; S60-I151 VanDerWaalsContact CB-CG2 3.48Å
61	F	95.9	Very high	94.6	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-57.6	-39.5	176.1	-170.4	-111.7	0	0	0	111.9	F57 Q63 L64 F76 L79 K80 F83 I132 I151	F57-F61 HydrophobicContact CD1-CB 4.49Å; F57-F61 HydrophobicContact CE1-CB 4.21Å; F57-F61 HydrophobicContact CE1-CG 4.37Å; F57-F61 HydrophobicContact CZ-CD2 4.46Å; F57-F61 HydrophobicContact CZ-CG 4.49Å; F57-F61 WeakPolarHBondContact O-CB 3.45Å; F57-F61 PolarHBondContact O-N 2.89Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 3.31Å; F61-L64 HydrophobicContact CD2-CD1 4.27Å; F61-L64 PolarHBondContact O-N 2.94Å; F61-F76 HydrophobicContact CD2-CE2 4.11Å; F61-F76 AromaticContact CE2-CD2 3.54Å; F61-F76 HydrophobicContact CE2-CD2 3.54Å; F61-F76 AromaticContact CE2-CE2 3.4Å; F61-F76 HydrophobicContact CE2-CE2 3.4Å; F61-F76 VanDerWaalsContact CE2-CE2 3.4Å; F61-F76 HydrophobicContact CE2-CG 4.27Å; F61-F76 HydrophobicContact CE2-CZ 4.03Å; F61-F76 HydrophobicContact CZ-CD2 4.06Å; F61-F76 HydrophobicContact CZ-CE2 4.08Å; F61-F76 HydrophobicContact CZ-CG 4.34Å; F61-F76 HydrophobicContact CZ-CZ 4.37Å; F61-L79 HydrophobicContact CE1-CB 4.16Å; F61-L79 HydrophobicContact CE1-CD2 3.95Å; F61-L79 HydrophobicContact CE1-CG 3.79Å; F61-L79 HydrophobicContact CE2-CD2 4.24Å; F61-L79 HydrophobicContact CZ-CB 3.97Å; F61-L79 HydrophobicContact CZ-CD2 3.76Å; F61-L79 HydrophobicContact CZ-CG 3.92Å; F61-K80 HydrophobicContact CD1-CD 4.2Å; F61-K80 HydrophobicContact CE1-CB 4.47Å; F61-K80 HydrophobicContact CE1-CD 3.66Å; F61-K80 HydrophobicContact CE1-CG 3.78Å; F61-K80 HydrophobicContact CZ-CD 4.09Å; F61-K80 HydrophobicContact CZ-CG 3.82Å; F61-K80 VanDerWaalsContact O-CE 3.31Å; F61-K80 WeakPolarHBondContact O-CE 3.27Å; F61-K80 PolarHBondContact O-NZ 3.06Å; F61-F83 AromaticContact CD1-CD2 3.64Å; F61-F83 HydrophobicContact CD1-CD2 3.64Å; F61-F83 AromaticContact CD1-CE2 3.93Å; F61-F83 HydrophobicContact CD1-CE2 3.93Å; F61-F83 HydrophobicContact CD1-CG 4.42Å; F61-F83 HydrophobicContact CE1-CD2 4.2Å; F61-I132 HydrophobicContact CE2-CD1 4.47Å; F61-I132 HydrophobicContact CE2-CG2 4.32Å; F61-I151 HydrophobicContact CB-CD1 3.49Å; F61-I151 VanDerWaalsContact CB-CD1 3.49Å; F61-I151 HydrophobicContact CD2-CD1 3.61Å; F61-I151 HydrophobicContact CG-CD1 4.02Å
62	R	94.7	Very high	94.6	Very high	143 Å²	143	72.5 Å²	72.5	54%	0.54	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-37.2	175.7	-175.4	174.4	64.5	-166.4	1.1	112.6	R58 R59 S60 K80	R58-R62 WeakPolarHBondContact O-CB 3.41Å; R58-R62 PolarHBondContact O-N 2.77Å; R59-R62 WeakPolarHBondContact O-CB 3.47Å; R59-R62 PolarHBondContact O-N 3.26Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.04Å; R62-K80 PolarHBondContact O-NZ 3.1Å
63	Q	94.1	Very high	94.6	Very high	150 Å²	150	73.6 Å²	73.6	70%	0.701	39%	0.386	S	S	*	.	H	α-helix	trans	-75.8	-23.6	-178.5	-67.5	175.6	-15.7	0	0	113.5	R59 S60 F61 T65	R59-Q63 PolarHBondContact O-N 3.12Å; S60-Q63 WeakPolarHBondContact O-CB 3.43Å; S60-Q63 PolarHBondContact O-N 3.41Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 3.31Å; Q63-T65 PolarHBondContact O-N 3.4Å
64	L	94.3	Very high	94.7	Very high	23 Å²	23	69.8 Å²	69.8	12%	0.12	37%	0.369	C	S	.	.			trans	-68.1	125.6	178.2	-61.5	176.7	0	0	0	111.1	S60 F61 F76 K80 I136 H149 I151	S60-L64 PolarHBondContact O-N 3Å; F61-L64 HydrophobicContact CD2-CD1 4.27Å; F61-L64 PolarHBondContact O-N 2.94Å; L64-F76 HydrophobicContact CB-CE2 4.21Å; L64-F76 HydrophobicContact CB-CZ 3.93Å; L64-F76 HydrophobicContact CD1-CE2 4.3Å; L64-K80 WeakPolarHBondContact O-CE 3.41Å; L64-K80 PolarHBondContact O-NZ 3.09Å; L64-I136 HydrophobicContact CD1-CD1 4.03Å; L64-I136 HydrophobicContact CD1-CG2 4.3Å; L64-H149 HydrophobicContact CD2-CB 4.49Å; L64-I151 HydrophobicContact CD1-CD1 3.88Å; L64-I151 HydrophobicContact CD1-CG1 4.1Å; L64-I151 HydrophobicContact CD1-CG2 4.14Å
65	T	92.8	Very high	94.9	Very high	121 Å²	121	66.1 Å²	66.1	74%	0.742	35%	0.35	S	S	*	.			trans	-117.1	-25.1	178.8	51.9	0	0	0	0	112.7	Q63	Q63-T65 PolarHBondContact O-N 3.4Å
66	T	92.6	Very high	95.1	Very high	105 Å²	105	64.1 Å²	64.1	64%	0.644	34%	0.339	S	S	*	.			trans	-102.3	136.3	-178	55.5	0	0	0	0	111
67	H	94.8	Very high	95.4	Very high	54 Å²	54	60 Å²	60	25%	0.25	32%	0.322	C	S	.	.			trans	-160.5	160.8	173.2	70.2	-72.6	0	0	0	110.2	C69 C74 F76 C77 H135 I136	H67-C69 WeakPolarHBondContact NE2-CB 3.13Å; H67-C69 PolarHBondContact O-N 3.43Å; H67-C74 PolarHBondContact NE2-SG 3.36Å; H67-F76 HydrophobicContact CB-CD1 3.9Å; H67-F76 HydrophobicContact CB-CD2 4.01Å; H67-F76 HydrophobicContact CB-CE1 4.04Å; H67-F76 HydrophobicContact CB-CE2 4.14Å; H67-F76 HydrophobicContact CB-CG 3.9Å; H67-F76 HydrophobicContact CB-CZ 4.16Å; H67-F76 AromaticContact CD2-CD1 3.63Å; H67-F76 AromaticContact CD2-CG 3.81Å; H67-F76 AromaticContact CE1-CD1 3.62Å; H67-F76 AromaticContact CG-CD1 3.33Å; H67-F76 AromaticContact CG-CE1 3.7Å; H67-F76 AromaticContact CG-CG 3.67Å; H67-F76 AromaticContact ND1-CD1 3.32Å; H67-F76 VanDerWaalsContact ND1-CD1 3.32Å; H67-F76 WeakPolarHBondContact ND1-CD1 3.46Å; H67-F76 AromaticContact ND1-CE1 3.41Å; H67-F76 WeakPolarHBondContact ND1-CE1 3.4Å; H67-F76 AromaticContact NE2-CD1 3.82Å; H67-C77 VanDerWaalsContact CE1-SG 3.5Å; H67-C77 PolarHBondContact NE2-SG 3.43Å; H67-H135 CarbonylContact C-O 3.49Å; H67-H135 VanDerWaalsContact CA-O 3.28Å; H67-H135 WeakPolarHBondContact CA-O 3.29Å; H67-H135 HydrophobicContact CB-CB 4.25Å; H67-H135 WeakPolarHBondContact CB-O 3.34Å; H67-I136 HydrophobicContact CB-CG2 4.3Å
68	K	94.7	Very high	95.6	Very high	85 Å²	85	59.7 Å²	59.7	37%	0.37	32%	0.322	S	S	.	.			trans	-76.5	94.1	168.8	-174.8	176.4	-174.5	170	0	109.4	F134 H135 D138 E139	K68-F134 HydrophobicContact CD-CE1 4.38Å; K68-H135 PolarHBondContact N-O 3.09Å; K68-H135 PolarHBondContact O-ND1 2.82Å; K68-D138 IonicContact NZ-OD1 2.74Å; K68-E139 IonicContact NZ-OE1 2.72Å; K68-E139 PolarHBondContact NZ-OE1 2.92Å
69	C	96.3	Very high	95.7	Very high	73 Å²	73	59 Å²	59	49%	0.493	32%	0.319	S	S	.	.			trans	-69.2	144.8	-179.5	-172.4	0	0	0	0	111.6	H67 G71	H67-C69 WeakPolarHBondContact NE2-CB 3.13Å; H67-C69 PolarHBondContact O-N 3.43Å; C69-G71 PolarHBondContact SG-N 3.23Å; C69-G71 VanDerWaalsContact SG-N 3.43Å
70	M	95.9	Very high	96	Very high	85 Å²	85	57 Å²	57	42%	0.419	31%	0.314	S	S	.	.			trans	-121.7	25.4	177.4	-63.7	-175.7	75.8	0	0	112.6	D72 S73 C74 R131 F134	M70-D72 PolarHBondContact O-N 2.92Å; M70-S73 PolarHBondContact O-OG 3.45Å; M70-C74 HydrophobicContact CB-CB 4.26Å; M70-R131 PolarHBondContact SD-NH2 2.85Å; M70-F134 HydrophobicContact SD-CD1 4.4Å; M70-F134 HydrophobicContact SD-CE1 3.71Å
71	G	96.1	Very high	96.1	Very high	48 Å²	48	57 Å²	57	50%	0.495	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	60.9	-130.1	-177.5	0	0	0	0	0	111.7	C69 S73 C74	C69-G71 PolarHBondContact SG-N 3.23Å; C69-G71 VanDerWaalsContact SG-N 3.43Å; G71-S73 VanDerWaalsContact C-N 3.27Å; G71-S73 PolarHBondContact O-N 3.12Å; G71-C74 WeakPolarHBondContact O-CB 3.49Å; G71-C74 PolarHBondContact O-N 3.37Å
72	D	95.5	Very high	96.2	Very high	126 Å²	126	57.2 Å²	57.2	67%	0.674	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.3	-21.1	-173.4	-69.9	0.7	0	0	0	115.3	M70 C74 K105	M70-D72 PolarHBondContact O-N 2.92Å; D72-C74 VanDerWaalsContact C-N 3.33Å; D72-K105 HydrophobicContact CB-CD 4.1Å; D72-K105 VanDerWaalsContact CB-NZ 3.32Å; D72-K105 IonicContact OD2-NZ 3.7Å; D72-K105 PolarHBondContact OD2-NZ 3.07Å; D72-K105 VanDerWaalsContact OD2-NZ 3.09Å
73	S	97	Very high	96.4	Very high	26 Å²	26	51 Å²	51	18%	0.182	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-91.7	5	175	59.8	0	0	0	0	112.3	M70 G71 I75 T106	M70-S73 PolarHBondContact O-OG 3.45Å; G71-S73 VanDerWaalsContact C-N 3.27Å; G71-S73 PolarHBondContact O-N 3.12Å; S73-I75 PolarHBondContact O-N 3.16Å; S73-T106 PolarHBondContact O-OG1 3.21Å
74	C	97.9	Very high	96.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	29%	0.289	C	S	.	.			trans	-74.3	102.9	-175.1	-169.6	0	0	0	0	112.5	H67 M70 G71 D72 F76 C77 A78	H67-C74 PolarHBondContact NE2-SG 3.36Å; M70-C74 HydrophobicContact CB-CB 4.26Å; G71-C74 WeakPolarHBondContact O-CB 3.49Å; G71-C74 PolarHBondContact O-N 3.37Å; D72-C74 VanDerWaalsContact C-N 3.33Å; C74-F76 VanDerWaalsContact C-N 3.3Å; C74-F76 PolarHBondContact O-N 3.5Å; C74-C77 HydrophobicContact CB-CB 4.01Å; C74-C77 PolarHBondContact O-N 3.45Å; C74-A78 PolarHBondContact O-N 3Å; C74-A78 VanDerWaalsContact O-N 3.12Å
75	I	98.1	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-41.3	175	-61.6	-59.3	0	0	0	111.5	S73 C77 A78 L79 L99 A102 L103 L128 R131	S73-I75 PolarHBondContact O-N 3.16Å; I75-C77 PolarHBondContact O-N 3.4Å; I75-A78 PolarHBondContact O-N 3.48Å; I75-L79 WeakPolarHBondContact O-CB 3.36Å; I75-L79 PolarHBondContact O-N 3.03Å; I75-L99 HydrophobicContact CD1-CD1 4.19Å; I75-L99 HydrophobicContact CG2-CD1 4.17Å; I75-A102 HydrophobicContact CD1-CB 4Å; I75-L103 HydrophobicContact CD1-CB 4.09Å; I75-L103 HydrophobicContact CD1-CD1 4.03Å; I75-L128 HydrophobicContact CG2-CD2 3.6Å; I75-R131 HydrophobicContact CB-CB 4.22Å; I75-R131 HydrophobicContact CG1-CB 4.1Å; I75-R131 HydrophobicContact CG1-CG 4.32Å; I75-R131 HydrophobicContact CG2-CB 4.37Å
76	F	97.7	Very high	96.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-49	179.2	-174.8	-78.7	0	0	0	111.7	F61 L64 H67 C74 L79 K80 H135 I136	F61-F76 HydrophobicContact CD2-CE2 4.11Å; F61-F76 AromaticContact CE2-CD2 3.54Å; F61-F76 HydrophobicContact CE2-CD2 3.54Å; F61-F76 AromaticContact CE2-CE2 3.4Å; F61-F76 HydrophobicContact CE2-CE2 3.4Å; F61-F76 VanDerWaalsContact CE2-CE2 3.4Å; F61-F76 HydrophobicContact CE2-CG 4.27Å; F61-F76 HydrophobicContact CE2-CZ 4.03Å; F61-F76 HydrophobicContact CZ-CD2 4.06Å; F61-F76 HydrophobicContact CZ-CE2 4.08Å; F61-F76 HydrophobicContact CZ-CG 4.34Å; F61-F76 HydrophobicContact CZ-CZ 4.37Å; L64-F76 HydrophobicContact CB-CE2 4.21Å; L64-F76 HydrophobicContact CB-CZ 3.93Å; L64-F76 HydrophobicContact CD1-CE2 4.3Å; H67-F76 HydrophobicContact CB-CD1 3.9Å; H67-F76 HydrophobicContact CB-CD2 4.01Å; H67-F76 HydrophobicContact CB-CE1 4.04Å; H67-F76 HydrophobicContact CB-CE2 4.14Å; H67-F76 HydrophobicContact CB-CG 3.9Å; H67-F76 HydrophobicContact CB-CZ 4.16Å; H67-F76 AromaticContact CD2-CD1 3.63Å; H67-F76 AromaticContact CD2-CG 3.81Å; H67-F76 AromaticContact CE1-CD1 3.62Å; H67-F76 AromaticContact CG-CD1 3.33Å; H67-F76 AromaticContact CG-CE1 3.7Å; H67-F76 AromaticContact CG-CG 3.67Å; H67-F76 AromaticContact ND1-CD1 3.32Å; H67-F76 VanDerWaalsContact ND1-CD1 3.32Å; H67-F76 WeakPolarHBondContact ND1-CD1 3.46Å; H67-F76 AromaticContact ND1-CE1 3.41Å; H67-F76 WeakPolarHBondContact ND1-CE1 3.4Å; H67-F76 AromaticContact NE2-CD1 3.82Å; C74-F76 VanDerWaalsContact C-N 3.3Å; C74-F76 PolarHBondContact O-N 3.5Å; F76-L79 PolarHBondContact O-N 2.9Å; F76-K80 HydrophobicContact CD1-CG 4Å; F76-K80 HydrophobicContact CE1-CD 4.39Å; F76-K80 HydrophobicContact CE1-CG 3.66Å; F76-K80 HydrophobicContact CZ-CG 4.3Å; F76-K80 WeakPolarHBondContact O-CB 3.41Å; F76-K80 WeakPolarHBondContact O-CG 3.44Å; F76-K80 PolarHBondContact O-N 3.33Å; F76-H135 HydrophobicContact CB-CB 4.05Å; F76-H135 HydrophobicContact CD2-CB 4.39Å; F76-I136 HydrophobicContact CD2-CG2 3.92Å; F76-I136 HydrophobicContact CE2-CG2 3.67Å
77	C	98.3	Very high	96.9	Very high	53 Å²	53	44 Å²	44	36%	0.358	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-48.5	177.8	-77.4	0	0	0	0	112.2	H67 C74 I75 L79 K80 G81	H67-C77 VanDerWaalsContact CE1-SG 3.5Å; H67-C77 PolarHBondContact NE2-SG 3.43Å; C74-C77 HydrophobicContact CB-CB 4.01Å; C74-C77 PolarHBondContact O-N 3.45Å; I75-C77 PolarHBondContact O-N 3.4Å; C77-L79 VanDerWaalsContact C-N 3.33Å; C77-L79 PolarHBondContact O-N 3.02Å; C77-K80 WeakPolarHBondContact O-CB 3.24Å; C77-K80 PolarHBondContact O-N 2.91Å; C77-G81 PolarHBondContact O-N 3.47Å
78	A	98.4	Very high	96.9	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-40.9	-179.4	0	0	0	0	0	111.7	C74 I75 G81 I82 T98 L99 A102	C74-A78 PolarHBondContact O-N 3Å; C74-A78 VanDerWaalsContact O-N 3.12Å; I75-A78 PolarHBondContact O-N 3.48Å; A78-G81 PolarHBondContact O-N 2.71Å; A78-I82 PolarHBondContact O-N 2.88Å; A78-I82 VanDerWaalsContact O-N 3.09Å; A78-T98 HydrophobicContact CB-CG2 4.16Å; A78-L99 HydrophobicContact CB-CB 4.1Å; A78-L99 HydrophobicContact CB-CD1 3.83Å; A78-A102 HydrophobicContact CB-CB 4.03Å
79	L	98.2	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-41	177.1	-170.9	63.4	0	0	0	111.8	L48 F57 F61 I75 F76 C77 G81 I82 F83 L99 I132	L48-L79 HydrophobicContact CD1-CD1 3.3Å; F57-L79 HydrophobicContact CZ-CD2 4.4Å; F61-L79 HydrophobicContact CE1-CB 4.16Å; F61-L79 HydrophobicContact CE1-CD2 3.95Å; F61-L79 HydrophobicContact CE1-CG 3.79Å; F61-L79 HydrophobicContact CE2-CD2 4.24Å; F61-L79 HydrophobicContact CZ-CB 3.97Å; F61-L79 HydrophobicContact CZ-CD2 3.76Å; F61-L79 HydrophobicContact CZ-CG 3.92Å; I75-L79 WeakPolarHBondContact O-CB 3.36Å; I75-L79 PolarHBondContact O-N 3.03Å; F76-L79 PolarHBondContact O-N 2.9Å; C77-L79 VanDerWaalsContact C-N 3.33Å; C77-L79 PolarHBondContact O-N 3.02Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.43Å; L79-I82 HydrophobicContact CD1-CG2 4.13Å; L79-I82 WeakPolarHBondContact O-CG2 3.38Å; L79-I82 PolarHBondContact O-N 3.28Å; L79-F83 HydrophobicContact CD1-CD1 3.87Å; L79-F83 HydrophobicContact CD1-CE1 3.58Å; L79-F83 HydrophobicContact CD1-CZ 4.19Å; L79-F83 HydrophobicContact CG-CD1 4.27Å; L79-F83 HydrophobicContact CG-CE1 4.18Å; L79-F83 HydrophobicContact CG-CZ 4.48Å; L79-F83 WeakPolarHBondContact O-CB 3.15Å; L79-F83 PolarHBondContact O-N 3.14Å; L79-L99 HydrophobicContact CB-CD1 4.5Å; L79-L99 HydrophobicContact CD1-CD2 4.03Å; L79-I132 HydrophobicContact CD2-CD1 3.36Å; L79-I132 HydrophobicContact CD2-CG1 4.27Å
80	K	97.8	Very high	96.9	Very high	54 Å²	54	45.4 Å²	45.4	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-44.3	171.3	-83.5	-67.4	-166.5	170.5	0	112	F61 R62 L64 F76 C77 N84	F61-K80 HydrophobicContact CD1-CD 4.2Å; F61-K80 HydrophobicContact CE1-CB 4.47Å; F61-K80 HydrophobicContact CE1-CD 3.66Å; F61-K80 HydrophobicContact CE1-CG 3.78Å; F61-K80 HydrophobicContact CZ-CD 4.09Å; F61-K80 HydrophobicContact CZ-CG 3.82Å; F61-K80 VanDerWaalsContact O-CE 3.31Å; F61-K80 WeakPolarHBondContact O-CE 3.27Å; F61-K80 PolarHBondContact O-NZ 3.06Å; R62-K80 PolarHBondContact O-NZ 3.1Å; L64-K80 WeakPolarHBondContact O-CE 3.41Å; L64-K80 PolarHBondContact O-NZ 3.09Å; F76-K80 HydrophobicContact CD1-CG 4Å; F76-K80 HydrophobicContact CE1-CD 4.39Å; F76-K80 HydrophobicContact CE1-CG 3.66Å; F76-K80 HydrophobicContact CZ-CG 4.3Å; F76-K80 WeakPolarHBondContact O-CB 3.41Å; F76-K80 WeakPolarHBondContact O-CG 3.44Å; F76-K80 PolarHBondContact O-N 3.33Å; C77-K80 WeakPolarHBondContact O-CB 3.24Å; C77-K80 PolarHBondContact O-N 2.91Å; K80-N84 WeakPolarHBondContact O-CB 3.41Å; K80-N84 PolarHBondContact O-N 3.1Å
81	G	97.7	Very high	96.9	Very high	35 Å²	35	47 Å²	47	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-52.6	177.8	0	0	0	0	0	112	C77 A78 L79 N84 Q85	C77-G81 PolarHBondContact O-N 3.47Å; A78-G81 PolarHBondContact O-N 2.71Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.43Å; G81-N84 WeakPolarHBondContact O-CB 3.18Å; G81-N84 PolarHBondContact O-N 3.19Å; G81-Q85 PolarHBondContact O-N 3.04Å; G81-Q85 VanDerWaalsContact O-N 3.12Å
82	I	98.1	Very high	96.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-34.6	-177.4	-164	148.4	0	0	0	113	L33 L48 A78 L79 N84 Q85 F86 P95 L99	L33-I82 HydrophobicContact CD2-CD1 3.87Å; L48-I82 HydrophobicContact CD1-CG2 3.94Å; L48-I82 HydrophobicContact CD2-CD1 3.56Å; L48-I82 HydrophobicContact CD2-CG1 4Å; L48-I82 HydrophobicContact CD2-CG2 3.92Å; A78-I82 PolarHBondContact O-N 2.88Å; A78-I82 VanDerWaalsContact O-N 3.09Å; L79-I82 HydrophobicContact CD1-CG2 4.13Å; L79-I82 WeakPolarHBondContact O-CG2 3.38Å; L79-I82 PolarHBondContact O-N 3.28Å; I82-N84 VanDerWaalsContact C-N 3.29Å; I82-N84 PolarHBondContact O-N 3.12Å; I82-Q85 WeakPolarHBondContact O-CB 3.39Å; I82-Q85 PolarHBondContact O-N 2.89Å; I82-Q85 VanDerWaalsContact O-N 3.1Å; I82-F86 HydrophobicContact CG1-CD2 4.1Å; I82-F86 HydrophobicContact CG1-CE2 3.94Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.36Å; I82-F86 PolarHBondContact O-N 3.16Å; I82-P95 VanDerWaalsContact CD1-O 3.27Å; I82-P95 WeakPolarHBondContact CD1-O 3.19Å; I82-L99 HydrophobicContact CG2-CD2 4.45Å
83	F	97.6	Very high	97	Very high	12 Å²	12	51 Å²	51	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-36.2	172.8	-87.2	29.2	0	0	0	112	L48 L51 W52 F57 F61 L79 Q85 F86 Q87	L48-F83 HydrophobicContact CD1-CD1 4.31Å; L48-F83 HydrophobicContact CD1-CE1 3.73Å; L51-F83 HydrophobicContact CB-CZ 4.02Å; W52-F83 HydrophobicContact CB-CE1 4.16Å; W52-F83 HydrophobicContact CB-CZ 4.32Å; W52-F83 HydrophobicContact CE3-CB 4.27Å; W52-F83 AromaticContact CE3-CD1 3.85Å; W52-F83 HydrophobicContact CE3-CD1 3.85Å; W52-F83 AromaticContact CE3-CD2 3.78Å; W52-F83 HydrophobicContact CE3-CD2 3.78Å; W52-F83 HydrophobicContact CE3-CE1 4.05Å; W52-F83 HydrophobicContact CE3-CE2 4.01Å; W52-F83 AromaticContact CE3-CG 3.71Å; W52-F83 HydrophobicContact CE3-CG 3.71Å; W52-F83 HydrophobicContact CE3-CZ 4.13Å; W52-F83 HydrophobicContact CZ3-CB 3.98Å; W52-F83 HydrophobicContact CZ3-CD1 4.43Å; W52-F83 AromaticContact CZ3-CD2 3.93Å; W52-F83 HydrophobicContact CZ3-CD2 3.93Å; W52-F83 AromaticContact CZ3-CG 3.88Å; W52-F83 HydrophobicContact CZ3-CG 3.88Å; F57-F83 HydrophobicContact CD1-CE2 4.19Å; F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 AromaticContact CE1-CE2 3.9Å; F57-F83 HydrophobicContact CE1-CE2 3.9Å; F57-F83 AromaticContact CE1-CZ 3.96Å; F57-F83 HydrophobicContact CE1-CZ 3.96Å; F61-F83 AromaticContact CD1-CD2 3.64Å; F61-F83 HydrophobicContact CD1-CD2 3.64Å; F61-F83 AromaticContact CD1-CE2 3.93Å; F61-F83 HydrophobicContact CD1-CE2 3.93Å; F61-F83 HydrophobicContact CD1-CG 4.42Å; F61-F83 HydrophobicContact CE1-CD2 4.2Å; L79-F83 HydrophobicContact CD1-CD1 3.87Å; L79-F83 HydrophobicContact CD1-CE1 3.58Å; L79-F83 HydrophobicContact CD1-CZ 4.19Å; L79-F83 HydrophobicContact CG-CD1 4.27Å; L79-F83 HydrophobicContact CG-CE1 4.18Å; L79-F83 HydrophobicContact CG-CZ 4.48Å; L79-F83 WeakPolarHBondContact O-CB 3.15Å; L79-F83 PolarHBondContact O-N 3.14Å; F83-Q85 VanDerWaalsContact C-N 3.35Å; F83-F86 HydrophobicContact CD1-CD2 4.41Å; F83-F86 PolarHBondContact O-N 3.2Å; F83-Q87 WeakPolarHBondContact O-CB 3.46Å; F83-Q87 PolarHBondContact O-N 3.42Å
84	N	96.6	Very high	97.1	Very high	99 Å²	99	49.9 Å²	49.9	53%	0.529	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-40.2	172.2	-176.2	54.8	0	0	0	111.6	K80 G81 I82 Q87 C88	K80-N84 WeakPolarHBondContact O-CB 3.41Å; K80-N84 PolarHBondContact O-N 3.1Å; G81-N84 WeakPolarHBondContact O-CB 3.18Å; G81-N84 PolarHBondContact O-N 3.19Å; I82-N84 VanDerWaalsContact C-N 3.29Å; I82-N84 PolarHBondContact O-N 3.12Å; N84-Q87 PolarHBondContact O-N 3.39Å; N84-C88 WeakPolarHBondContact O-CB 3.43Å; N84-C88 PolarHBondContact O-N 3.16Å; N84-C88 PolarHBondContact OD1-SG 3.12Å
85	Q	97.4	Very high	97.1	Very high	65 Å²	65	52.6 Å²	52.6	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-40.9	174.5	-66.2	-175.3	38.5	0	0	112.4	K31 G81 I82 F83 Q87 S89 L94	K31-Q85 PolarHBondContact NZ-O 3.34Å; G81-Q85 PolarHBondContact O-N 3.04Å; G81-Q85 VanDerWaalsContact O-N 3.12Å; I82-Q85 WeakPolarHBondContact O-CB 3.39Å; I82-Q85 PolarHBondContact O-N 2.89Å; I82-Q85 VanDerWaalsContact O-N 3.1Å; F83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-Q87 VanDerWaalsContact C-N 3.26Å; Q85-Q87 PolarHBondContact O-N 2.91Å; Q85-S89 WeakPolarHBondContact O-CB 3.37Å; Q85-S89 PolarHBondContact O-N 3.32Å; Q85-L94 HydrophobicContact CB-CD1 3.81Å; Q85-L94 HydrophobicContact CB-CD2 4.13Å
86	F	96.6	Very high	97	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-43.7	173.3	-86.4	-69.6	0	0	0	111.8	K31 L33 L48 W52 I82 F83 L94	K31-F86 HydrophobicContact CB-CD1 3.91Å; K31-F86 HydrophobicContact CB-CE1 3.86Å; K31-F86 HydrophobicContact CD-CD1 4.18Å; K31-F86 VanDerWaalsContact CE-O 3.24Å; K31-F86 WeakPolarHBondContact CE-O 3.43Å; K31-F86 HydrophobicContact CG-CD1 4.33Å; K31-F86 PolarHBondContact NZ-O 2.72Å; L33-F86 HydrophobicContact CD1-CZ 4.18Å; L33-F86 HydrophobicContact CD2-CE2 4.17Å; L33-F86 HydrophobicContact CD2-CZ 3.73Å; L33-F86 HydrophobicContact CG-CZ 4.03Å; L48-F86 HydrophobicContact CD2-CE2 4.06Å; L48-F86 HydrophobicContact CG-CE2 4.12Å; W52-F86 AromaticContact CD1-CD1 3.95Å; W52-F86 HydrophobicContact CD2-CB 3.79Å; W52-F86 HydrophobicContact CD2-CD1 4.39Å; W52-F86 HydrophobicContact CD2-CD2 4.19Å; W52-F86 AromaticContact CD2-CG 3.9Å; W52-F86 HydrophobicContact CD2-CG 3.9Å; W52-F86 AromaticContact CE2-CG 3.91Å; W52-F86 HydrophobicContact CE3-CB 3.97Å; W52-F86 HydrophobicContact CE3-CD2 4.39Å; W52-F86 HydrophobicContact CE3-CG 4.34Å; W52-F86 HydrophobicContact CG-CD1 4.29Å; W52-F86 HydrophobicContact CG-CD2 4.28Å; W52-F86 HydrophobicContact CG-CG 4.14Å; W52-F86 HydrophobicContact CH2-CB 3.7Å; W52-F86 HydrophobicContact CZ2-CB 3.49Å; W52-F86 VanDerWaalsContact CZ2-CB 3.49Å; W52-F86 HydrophobicContact CZ2-CG 4.38Å; W52-F86 HydrophobicContact CZ3-CB 3.93Å; W52-F86 AromaticContact NE1-CD1 3.81Å; I82-F86 HydrophobicContact CG1-CD2 4.1Å; I82-F86 HydrophobicContact CG1-CE2 3.94Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.36Å; I82-F86 PolarHBondContact O-N 3.16Å; F83-F86 HydrophobicContact CD1-CD2 4.41Å; F83-F86 PolarHBondContact O-N 3.2Å; F86-L94 HydrophobicContact CB-CD1 4.39Å; F86-L94 HydrophobicContact CD1-CD1 3.85Å; F86-L94 HydrophobicContact CD2-CD1 4.28Å; F86-L94 HydrophobicContact CE1-CD1 4.19Å; F86-L94 HydrophobicContact CG-CD1 3.89Å
87	Q	94.5	Very high	97	Very high	86 Å²	86	55.6 Å²	55.6	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-72.2	-44	-178.3	-172.1	65.5	42.6	0	0	113.5	W52 F83 N84 Q85	W52-Q87 HydrophobicContact CH2-CB 4.07Å; F83-Q87 WeakPolarHBondContact O-CB 3.46Å; F83-Q87 PolarHBondContact O-N 3.42Å; N84-Q87 PolarHBondContact O-N 3.39Å; Q85-Q87 VanDerWaalsContact C-N 3.26Å; Q85-Q87 PolarHBondContact O-N 2.91Å
88	C	93.8	Very high	97	Very high	87 Å²	87	57.9 Å²	57.9	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-115.5	-23	-160.4	-60.1	0	0	0	0	114.5	N84	N84-C88 WeakPolarHBondContact O-CB 3.43Å; N84-C88 PolarHBondContact O-N 3.16Å; N84-C88 PolarHBondContact OD1-SG 3.12Å
89	S	96.6	Very high	97	Very high	41 Å²	41	57.5 Å²	57.5	29%	0.287	32%	0.323	S	S	.	.			trans	-69.9	152.1	-177.2	177.2	0	0	0	0	111.5	K31 Q85 E91	K31-S89 VanDerWaalsContact NZ-C 3.29Å; K31-S89 PolarHBondContact NZ-O 3.11Å; Q85-S89 WeakPolarHBondContact O-CB 3.37Å; Q85-S89 PolarHBondContact O-N 3.32Å; S89-E91 WeakPolarHBondContact OG-CB 3.31Å; S89-E91 PolarHBondContact OG-N 3.03Å
90	S	95.6	Very high	97	Very high	114 Å²	114	57.7 Å²	57.7	80%	0.797	32%	0.324	S	S	*	.			trans	-84.3	-14.1	167.7	50.1	0	0	0	0	113.1
91	E	96.4	Very high	97	Very high	118 Å²	118	57.5 Å²	57.5	55%	0.551	33%	0.329	S	S	*	.			trans	-65.5	138.4	-177.9	-64.5	-55.7	145.8	0	0	111.6	K31 S89 L94	K31-E91 VanDerWaalsContact CD-O 3.31Å; K31-E91 WeakPolarHBondContact CD-O 3.4Å; K31-E91 WeakPolarHBondContact CE-O 3.31Å; K31-E91 PolarHBondContact NZ-O 2.98Å; S89-E91 WeakPolarHBondContact OG-CB 3.31Å; S89-E91 PolarHBondContact OG-N 3.03Å; E91-L94 HydrophobicContact CB-CD2 3.85Å
92	K	95.8	Very high	97	Very high	177 Å²	177	56 Å²	56	77%	0.77	31%	0.313	S	S	*	.	S	Bend	trans	-82.3	-23.7	177.5	-67.6	-176.9	-179.9	177.8	0	112.8	G32	G32-K92 PolarHBondContact N-O 3.21Å
93	V	97.7	Very high	97	Very high	83 Å²	83	55.6 Å²	55.6	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.9	179.5	-176.8	0	0	0	0	107.7	G32	G32-V93 CarbonylContact O-C 3.6Å; G32-V93 WeakPolarHBondContact O-CA 3.46Å
94	L	98.1	Very high	97	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.7	-175.7	-58.9	177.5	0	0	0	111.7	K31 G32 L33 S34 Q85 F86 E91	K31-L94 HydrophobicContact CB-CD1 4.37Å; K31-L94 HydrophobicContact CB-CG 4.47Å; K31-L94 HydrophobicContact CD-CD1 3.68Å; K31-L94 HydrophobicContact CD-CD2 4.4Å; K31-L94 HydrophobicContact CD-CG 4.03Å; G32-L94 PolarHBondContact O-N 2.88Å; L33-L94 VanDerWaalsContact CA-O 3.29Å; L33-L94 WeakPolarHBondContact CA-O 3.46Å; L33-L94 HydrophobicContact CD2-CB 4.12Å; S34-L94 PolarHBondContact N-O 3.08Å; S34-L94 PolarHBondContact OG-O 3.12Å; Q85-L94 HydrophobicContact CB-CD1 3.81Å; Q85-L94 HydrophobicContact CB-CD2 4.13Å; F86-L94 HydrophobicContact CB-CD1 4.39Å; F86-L94 HydrophobicContact CD1-CD1 3.85Å; F86-L94 HydrophobicContact CD2-CD1 4.28Å; F86-L94 HydrophobicContact CE1-CD1 4.19Å; F86-L94 HydrophobicContact CG-CD1 3.89Å; E91-L94 HydrophobicContact CB-CD2 3.85Å
95	P	97.4	Very high	97.1	Very high	59 Å²	59	55 Å²	55	38%	0.383	31%	0.305	S	S	.	.			trans	-77.5	131.3	173.4	29.8	-32.2	0	0	0	111.7	S34 I82 D97	S34-P95 WeakPolarHBondContact OG-CA 3.27Å; I82-P95 VanDerWaalsContact CD1-O 3.27Å; I82-P95 WeakPolarHBondContact CD1-O 3.19Å; P95-D97 WeakPolarHBondContact CB-OD2 3.19Å
96	S	97.2	Very high	97.1	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.021	30%	0.3	C	S	.	.			trans	-98.4	7.4	173.8	59.4	0	0	0	0	113.8	N45 T98 L99 R100	N45-S96 WeakPolarHBondContact OD1-CB 3.46Å; N45-S96 PolarHBondContact OD1-OG 2.88Å; S96-T98 VanDerWaalsContact C-N 3.32Å; S96-T98 PolarHBondContact O-N 3.13Å; S96-L99 PolarHBondContact O-N 3.44Å; S96-L99 VanDerWaalsContact O-N 3.08Å; S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 PolarHBondContact O-N 2.98Å
97	D	97.1	Very high	97.1	Very high	63 Å²	63	53.8 Å²	53.8	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-56.6	-40.8	-170.5	-55.4	-85.7	0	0	0	113.3	Q39 P95 L99 R100 S101	Q39-D97 PolarHBondContact NE2-OD1 3.45Å; P95-D97 WeakPolarHBondContact CB-OD2 3.19Å; D97-L99 PolarHBondContact O-N 3.36Å; D97-R100 WeakPolarHBondContact O-CB 3.29Å; D97-R100 PolarHBondContact O-N 3.15Å; D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.15Å; D97-S101 PolarHBondContact O-OG 2.83Å
98	T	97.8	Very high	97.2	Very high	101 Å²	101	54.6 Å²	54.6	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-45	178.8	-50.1	0	0	0	0	111.9	A78 S96 A102	A78-T98 HydrophobicContact CB-CG2 4.16Å; S96-T98 VanDerWaalsContact C-N 3.32Å; S96-T98 PolarHBondContact O-N 3.13Å; T98-A102 WeakPolarHBondContact O-CB 3.34Å; T98-A102 PolarHBondContact O-N 3.34Å
99	L	98.3	Very high	97.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-69.3	-38.2	176.5	-178	60.7	0	0	0	110.8	L44 L48 I75 A78 L79 I82 S96 D97 S101 A102 L103 L128	L44-L99 HydrophobicContact CD1-CD2 3.86Å; L44-L99 HydrophobicContact CD1-CG 4.12Å; L44-L99 HydrophobicContact CD2-CB 4.43Å; L44-L99 HydrophobicContact CD2-CD2 4.49Å; L44-L99 HydrophobicContact CD2-CG 4.21Å; L48-L99 HydrophobicContact CD1-CD2 3.92Å; L48-L99 HydrophobicContact CD2-CD2 4.16Å; I75-L99 HydrophobicContact CD1-CD1 4.19Å; I75-L99 HydrophobicContact CG2-CD1 4.17Å; A78-L99 HydrophobicContact CB-CB 4.1Å; A78-L99 HydrophobicContact CB-CD1 3.83Å; L79-L99 HydrophobicContact CB-CD1 4.5Å; L79-L99 HydrophobicContact CD1-CD2 4.03Å; I82-L99 HydrophobicContact CG2-CD2 4.45Å; S96-L99 PolarHBondContact O-N 3.44Å; S96-L99 VanDerWaalsContact O-N 3.08Å; D97-L99 PolarHBondContact O-N 3.36Å; L99-S101 PolarHBondContact O-N 3.43Å; L99-A102 PolarHBondContact O-N 3.05Å; L99-L103 WeakPolarHBondContact O-CB 3.44Å; L99-L103 PolarHBondContact O-N 2.94Å; L99-L128 HydrophobicContact CD1-CD2 4.3Å
100	R	98.2	Very high	97.1	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.6	-173.7	67.2	-175.1	86.1	-8.2	112.4	S41 L44 S96 D97 A104 F113 Q114 L115 I117	S41-R100 VanDerWaalsContact OG-CD 3.26Å; S41-R100 WeakPolarHBondContact OG-CD 3.38Å; S41-R100 PolarHBondContact OG-NE 3.33Å; L44-R100 HydrophobicContact CD2-CB 3.77Å; L44-R100 HydrophobicContact CD2-CG 4.38Å; S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 PolarHBondContact O-N 2.98Å; D97-R100 WeakPolarHBondContact O-CB 3.29Å; D97-R100 PolarHBondContact O-N 3.15Å; R100-A104 PolarHBondContact O-N 3.23Å; R100-A104 VanDerWaalsContact O-N 3.12Å; R100-F113 PolarHBondContact NH1-O 3.15Å; R100-Q114 PolarHBondContact NH2-O 3.46Å; R100-L115 HydrophobicContact CG-CD2 3.91Å; R100-I117 PolarHBondContact NH2-O 2.91Å
101	S	98.1	Very high	97	Very high	49 Å²	49	62.4 Å²	62.4	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-42.8	176	-64	0	0	0	0	112.3	D97 L99 L103 A104 K105	D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.15Å; D97-S101 PolarHBondContact O-OG 2.83Å; L99-S101 PolarHBondContact O-N 3.43Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.38Å; S101-A104 PolarHBondContact O-N 2.92Å; S101-K105 WeakPolarHBondContact O-CG 3.39Å; S101-K105 PolarHBondContact O-N 3.46Å
102	A	98.4	Very high	96.9	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-39.9	176.6	0	0	0	0	0	111.6	I75 A78 T98 L99 K105 T106	I75-A102 HydrophobicContact CD1-CB 4Å; A78-A102 HydrophobicContact CB-CB 4.03Å; T98-A102 WeakPolarHBondContact O-CB 3.34Å; T98-A102 PolarHBondContact O-N 3.34Å; L99-A102 PolarHBondContact O-N 3.05Å; A102-K105 PolarHBondContact O-N 3.03Å; A102-T106 WeakPolarHBondContact O-CB 3.23Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 3.12Å
103	L	98.1	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-49.5	175.7	-169	71	0	0	0	112.1	F43 L44 I75 L99 S101 K105 T106 F107 F113 L128	F43-L103 HydrophobicContact CE2-CD2 3.99Å; L44-L103 HydrophobicContact CD1-CD2 4.29Å; I75-L103 HydrophobicContact CD1-CB 4.09Å; I75-L103 HydrophobicContact CD1-CD1 4.03Å; L99-L103 WeakPolarHBondContact O-CB 3.44Å; L99-L103 PolarHBondContact O-N 2.94Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.38Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.36Å; L103-T106 PolarHBondContact O-N 3.37Å; L103-T106 VanDerWaalsContact O-N 3.17Å; L103-F107 HydrophobicContact CD1-CD2 3.77Å; L103-F107 HydrophobicContact CD1-CE2 3.62Å; L103-F107 HydrophobicContact CG-CD2 4.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 2.73Å; L103-F107 VanDerWaalsContact O-N 3.16Å; L103-F113 HydrophobicContact CD1-CD2 4.19Å; L103-F113 HydrophobicContact CD1-CG 4.49Å; L103-F113 HydrophobicContact CD2-CB 3.7Å; L103-F113 HydrophobicContact CD2-CD1 4.07Å; L103-F113 HydrophobicContact CD2-CD2 4.27Å; L103-F113 HydrophobicContact CD2-CG 3.75Å; L103-F113 HydrophobicContact CG-CB 3.74Å; L103-F113 HydrophobicContact CG-CD2 4.04Å; L103-F113 HydrophobicContact CG-CG 3.91Å; L103-L128 HydrophobicContact CD1-CD2 4.21Å
104	A	97.9	Very high	97	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-41.2	177.9	0	0	0	0	0	112.6	R100 S101 Q108 F113 Q114 L115	R100-A104 PolarHBondContact O-N 3.23Å; R100-A104 VanDerWaalsContact O-N 3.12Å; S101-A104 PolarHBondContact O-N 2.92Å; A104-Q108 PolarHBondContact O-N 3.49Å; A104-F113 WeakPolarHBondContact CA-O 3.39Å; A104-F113 WeakPolarHBondContact CB-O 3.15Å; A104-Q114 PolarHBondContact O-NE2 2.89Å; A104-Q114 VanDerWaalsContact O-NE2 3.09Å; A104-L115 HydrophobicContact CB-CD2 3.97Å; A104-L115 HydrophobicContact CB-CG 3.89Å
105	K	97.9	Very high	96.9	Very high	93 Å²	93	54 Å²	54	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-37.5	176.5	-72.5	-180	177.2	-178.2	0	112.5	D72 S101 A102 L103 F107 Q108	D72-K105 HydrophobicContact CB-CD 4.1Å; D72-K105 VanDerWaalsContact CB-NZ 3.32Å; D72-K105 IonicContact OD2-NZ 3.7Å; D72-K105 PolarHBondContact OD2-NZ 3.07Å; D72-K105 VanDerWaalsContact OD2-NZ 3.09Å; S101-K105 WeakPolarHBondContact O-CG 3.39Å; S101-K105 PolarHBondContact O-N 3.46Å; A102-K105 PolarHBondContact O-N 3.03Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.36Å; K105-F107 VanDerWaalsContact C-N 3.35Å; K105-Q108 WeakPolarHBondContact O-CG 3.45Å
106	T	97.3	Very high	96.8	Very high	33 Å²	33	53 Å²	53	20%	0.202	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-39.6	-179.4	-60.5	0	0	0	0	111.8	S73 A102 L103 R131	S73-T106 PolarHBondContact O-OG1 3.21Å; A102-T106 WeakPolarHBondContact O-CB 3.23Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 3.12Å; L103-T106 PolarHBondContact O-N 3.37Å; L103-T106 VanDerWaalsContact O-N 3.17Å; T106-R131 HydrophobicContact CG2-CG 4.11Å
107	F	96.8	Very high	96.7	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.035	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	24.8	-174.6	-66.2	-83.7	0	0	0	113.1	L103 K105 D109 E110 Q111 R112 F113 N127 R131	L103-F107 HydrophobicContact CD1-CD2 3.77Å; L103-F107 HydrophobicContact CD1-CE2 3.62Å; L103-F107 HydrophobicContact CG-CD2 4.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 2.73Å; L103-F107 VanDerWaalsContact O-N 3.16Å; K105-F107 VanDerWaalsContact C-N 3.35Å; F107-D109 VanDerWaalsContact C-N 3.3Å; F107-D109 PolarHBondContact O-N 3.16Å; F107-E110 WeakPolarHBondContact CD1-OE1 3.49Å; F107-E110 PolarHBondContact O-N 3.17Å; F107-Q111 PolarHBondContact O-N 3.22Å; F107-R112 HydrophobicContact CB-CB 4.08Å; F107-R112 PolarHBondContact O-N 3.01Å; F107-F113 HydrophobicContact CB-CD2 3.91Å; F107-F113 HydrophobicContact CD1-CD2 4.37Å; F107-F113 HydrophobicContact CD1-CE2 4.26Å; F107-F113 AromaticContact CD2-CD2 3.57Å; F107-F113 HydrophobicContact CD2-CD2 3.57Å; F107-F113 AromaticContact CD2-CE2 3.96Å; F107-F113 HydrophobicContact CD2-CE2 3.96Å; F107-F113 HydrophobicContact CE1-CE2 4.45Å; F107-F113 HydrophobicContact CE2-CD2 4.18Å; F107-F113 HydrophobicContact CE2-CE2 4.16Å; F107-F113 AromaticContact CG-CD2 3.69Å; F107-F113 HydrophobicContact CG-CD2 3.69Å; F107-F113 HydrophobicContact CG-CE2 4.02Å; F107-F113 HydrophobicContact CZ-CE2 4.41Å; F107-N127 HydrophobicContact CE1-CB 4.36Å; F107-N127 WeakPolarHBondContact CE1-OD1 3.36Å; F107-N127 HydrophobicContact CE2-CB 4.17Å; F107-N127 HydrophobicContact CZ-CB 3.66Å; F107-N127 WeakPolarHBondContact CZ-OD1 3.4Å; F107-R131 HydrophobicContact CE2-CG 4.01Å; F107-R131 HydrophobicContact CZ-CG 3.8Å
108	Q	95.8	Very high	96.6	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.3	-177.1	67.5	-178.3	-5.1	0	0	112.7	A104 K105 E110 Q111	A104-Q108 PolarHBondContact O-N 3.49Å; K105-Q108 WeakPolarHBondContact O-CG 3.45Å; Q108-E110 VanDerWaalsContact C-N 3.31Å; Q108-E110 PolarHBondContact O-N 3.09Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 PolarHBondContact O-NE2 2.93Å
109	D	95.3	Very high	96.5	Very high	146 Å²	146	57.8 Å²	57.8	78%	0.781	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-28.3	-176.2	-61.2	-34.3	0	0	0	111.6	F107 Q111	F107-D109 VanDerWaalsContact C-N 3.3Å; F107-D109 PolarHBondContact O-N 3.16Å; D109-Q111 VanDerWaalsContact C-N 3.29Å
110	E	94.3	Very high	96.5	Very high	115 Å²	115	61.5 Å²	61.5	54%	0.537	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.4	175.9	-62	173.7	-134.2	0	0	112.4	F107 Q108 R112	F107-E110 WeakPolarHBondContact CD1-OE1 3.49Å; F107-E110 PolarHBondContact O-N 3.17Å; Q108-E110 VanDerWaalsContact C-N 3.31Å; Q108-E110 PolarHBondContact O-N 3.09Å; E110-R112 HydrophobicContact CB-CB 4.25Å; E110-R112 HydrophobicContact CB-CG 3.9Å; E110-R112 PolarHBondContact O-N 2.99Å; E110-R112 VanDerWaalsContact O-N 3.12Å
111	Q	92.7	Very high	96.5	Very high	146 Å²	146	62.8 Å²	62.8	68%	0.682	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25	-172.4	-63.9	-69.1	-69.1	0	0	113.3	F107 Q108 D109	F107-Q111 PolarHBondContact O-N 3.22Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 PolarHBondContact O-NE2 2.93Å; D109-Q111 VanDerWaalsContact C-N 3.29Å
112	R	95.6	Very high	96.4	Very high	56 Å²	56	63.1 Å²	63.1	21%	0.211	34%	0.335	C	S	.	.			trans	-96.6	151.4	-179.9	-69.1	-163	61.2	163.1	5.3	111.7	F107 E110 Q114 D119 E123	F107-R112 HydrophobicContact CB-CB 4.08Å; F107-R112 PolarHBondContact O-N 3.01Å; E110-R112 HydrophobicContact CB-CB 4.25Å; E110-R112 HydrophobicContact CB-CG 3.9Å; E110-R112 PolarHBondContact O-N 2.99Å; E110-R112 VanDerWaalsContact O-N 3.12Å; R112-Q114 PolarHBondContact O-N 2.82Å; R112-Q114 VanDerWaalsContact O-N 3.12Å; R112-Q114 PolarHBondContact O-NE2 3.28Å; R112-D119 IonicContact NH2-OD1 3.1Å; R112-D119 PolarHBondContact NH2-OD1 3.49Å; R112-D119 VanDerWaalsContact NH2-OD1 3.1Å; R112-E123 IonicContact CZ-OE2 3Å; R112-E123 IonicContact NH1-OE2 2.73Å; R112-E123 PolarHBondContact NH1-OE2 3.42Å; R112-E123 IonicContact NH2-OE2 2.6Å; R112-E123 PolarHBondContact NH2-OE2 3.03Å
113	F	96.6	Very high	96.4	Very high	1 Å²	1	67 Å²	67	0%	0.004	35%	0.353	C	S	.	.	S	Bend	trans	53.1	34.3	177.6	-45.2	-63.7	0	0	0	113.4	F43 R100 L103 A104 F107 D119 C124 N127	F43-F113 HydrophobicContact CD2-CD1 4.25Å; F43-F113 HydrophobicContact CE2-CB 4.48Å; F43-F113 AromaticContact CE2-CD1 3.54Å; F43-F113 HydrophobicContact CE2-CD1 3.54Å; F43-F113 HydrophobicContact CE2-CE1 4.24Å; F43-F113 HydrophobicContact CE2-CG 4.39Å; F43-F113 HydrophobicContact CZ-CB 4.41Å; F43-F113 HydrophobicContact CZ-CD1 4.13Å; R100-F113 PolarHBondContact NH1-O 3.15Å; L103-F113 HydrophobicContact CD1-CD2 4.19Å; L103-F113 HydrophobicContact CD1-CG 4.49Å; L103-F113 HydrophobicContact CD2-CB 3.7Å; L103-F113 HydrophobicContact CD2-CD1 4.07Å; L103-F113 HydrophobicContact CD2-CD2 4.27Å; L103-F113 HydrophobicContact CD2-CG 3.75Å; L103-F113 HydrophobicContact CG-CB 3.74Å; L103-F113 HydrophobicContact CG-CD2 4.04Å; L103-F113 HydrophobicContact CG-CG 3.91Å; A104-F113 WeakPolarHBondContact CA-O 3.39Å; A104-F113 WeakPolarHBondContact CB-O 3.15Å; F107-F113 HydrophobicContact CB-CD2 3.91Å; F107-F113 HydrophobicContact CD1-CD2 4.37Å; F107-F113 HydrophobicContact CD1-CE2 4.26Å; F107-F113 AromaticContact CD2-CD2 3.57Å; F107-F113 HydrophobicContact CD2-CD2 3.57Å; F107-F113 AromaticContact CD2-CE2 3.96Å; F107-F113 HydrophobicContact CD2-CE2 3.96Å; F107-F113 HydrophobicContact CE1-CE2 4.45Å; F107-F113 HydrophobicContact CE2-CD2 4.18Å; F107-F113 HydrophobicContact CE2-CE2 4.16Å; F107-F113 AromaticContact CG-CD2 3.69Å; F107-F113 HydrophobicContact CG-CD2 3.69Å; F107-F113 HydrophobicContact CG-CE2 4.02Å; F107-F113 HydrophobicContact CZ-CE2 4.41Å; F113-D119 HydrophobicContact CD1-CB 3.56Å; F113-D119 VanDerWaalsContact CD1-CG 3.41Å; F113-D119 WeakPolarHBondContact CD1-OD2 3.09Å; F113-D119 HydrophobicContact CE1-CB 3.9Å; F113-D119 PolarHBondContact N-OD2 2.85Å; F113-C124 HydrophobicContact CD1-CB 4.42Å; F113-C124 HydrophobicContact CE1-CB 3.74Å; F113-C124 HydrophobicContact CZ-CB 4.28Å; F113-N127 HydrophobicContact CE2-CB 4.1Å; F113-N127 HydrophobicContact CZ-CB 4.23Å
114	Q	97.3	Very high	96.3	Very high	41 Å²	41	67 Å²	67	19%	0.192	35%	0.353	C	S	.	.			trans	-73.4	147.8	-177.5	-64.2	-54.7	-57.2	0	0	111.9	R100 A104 R112 G116 I117	R100-Q114 PolarHBondContact NH2-O 3.46Å; A104-Q114 PolarHBondContact O-NE2 2.89Å; A104-Q114 VanDerWaalsContact O-NE2 3.09Å; R112-Q114 PolarHBondContact O-N 2.82Å; R112-Q114 VanDerWaalsContact O-N 3.12Å; R112-Q114 PolarHBondContact O-NE2 3.28Å; Q114-G116 PolarHBondContact O-N 3.49Å; Q114-I117 HydrophobicContact CB-CD1 4.06Å; Q114-I117 HydrophobicContact CB-CG1 4.39Å; Q114-I117 WeakPolarHBondContact O-CB 3.43Å; Q114-I117 PolarHBondContact O-N 2.96Å; Q114-I117 VanDerWaalsContact O-N 3.08Å
115	L	96.8	Very high	96.3	Very high	105 Å²	105	69.2 Å²	69.2	55%	0.55	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	137.7	-175.5	-63.6	178.1	0	0	0	111.6	R100 A104 I117	R100-L115 HydrophobicContact CG-CD2 3.91Å; A104-L115 HydrophobicContact CB-CD2 3.97Å; A104-L115 HydrophobicContact CB-CG 3.89Å; L115-I117 PolarHBondContact O-N 2.78Å
116	G	94.6	Very high	96.2	Very high	37 Å²	37	70.2 Å²	70.2	38%	0.381	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-1.3	-178	0	0	0	0	0	114.7	G38 N40 Q114	G38-G116 WeakPolarHBondContact O-CA 3.47Å; N40-G116 PolarHBondContact ND2-O 3.27Å; Q114-G116 PolarHBondContact O-N 3.49Å
117	I	95.4	Very high	96.2	Very high	100 Å²	100	69.4 Å²	69.4	51%	0.513	36%	0.362	S	S	.	.			trans	-106.1	141.2	175	-50.2	-172	0	0	0	109	R100 Q114 L115	R100-I117 PolarHBondContact NH2-O 2.91Å; Q114-I117 HydrophobicContact CB-CD1 4.06Å; Q114-I117 HydrophobicContact CB-CG1 4.39Å; Q114-I117 WeakPolarHBondContact O-CB 3.43Å; Q114-I117 PolarHBondContact O-N 2.96Å; Q114-I117 VanDerWaalsContact O-N 3.08Å; L115-I117 PolarHBondContact O-N 2.78Å
118	M	94.8	Very high	96.2	Very high	123 Å²	123	69 Å²	69	61%	0.606	36%	0.36	S	S	*	.			trans	-85.7	143.3	172.7	-168.6	173.1	68.6	0	0	109.5	N40 F43	N40-M118 HydrophobicContact CB-CB 4.1Å; F43-M118 HydrophobicContact CD1-CG 4.48Å
119	D	97	Very high	96.2	Very high	44 Å²	44	65.3 Å²	65.3	24%	0.235	34%	0.344	C	S	.	.			trans	-134.7	179.5	179.4	-145.2	-55.6	0	0	0	109.5	F43 R112 F113	F43-D119 WeakPolarHBondContact CB-O 3.37Å; F43-D119 HydrophobicContact CD1-CB 4.27Å; F43-D119 HydrophobicContact CD2-CB 4.05Å; F43-D119 HydrophobicContact CE1-CB 4.21Å; F43-D119 HydrophobicContact CE2-CB 4.04Å; F43-D119 HydrophobicContact CG-CB 4.19Å; F43-D119 WeakPolarHBondContact CG-O 3.36Å; F43-D119 HydrophobicContact CZ-CB 4.11Å; R112-D119 IonicContact NH2-OD1 3.1Å; R112-D119 PolarHBondContact NH2-OD1 3.49Å; R112-D119 VanDerWaalsContact NH2-OD1 3.1Å; F113-D119 HydrophobicContact CD1-CB 3.56Å; F113-D119 VanDerWaalsContact CD1-CG 3.41Å; F113-D119 WeakPolarHBondContact CD1-OD2 3.09Å; F113-D119 HydrophobicContact CE1-CB 3.9Å; F113-D119 PolarHBondContact N-OD2 2.85Å
120	D	97.7	Very high	96.2	Very high	79 Å²	79	61.9 Å²	61.9	42%	0.422	32%	0.324	S	S	.	.			trans	-78.8	138.6	178.8	-173.9	-89	0	0	0	112.2	A122 E123 C124	D120-A122 WeakPolarHBondContact OD1-CA 3.29Å; D120-A122 VanDerWaalsContact OD1-CB 3.32Å; D120-A122 WeakPolarHBondContact OD1-CB 3.44Å; D120-A122 PolarHBondContact OD1-N 2.89Å; D120-E123 HydrophobicContact CB-CB 4.16Å; D120-E123 HydrophobicContact CB-CG 4.12Å; D120-E123 PolarHBondContact OD1-N 3.47Å; D120-C124 WeakPolarHBondContact O-CB 3.14Å; D120-C124 PolarHBondContact O-N 3.24Å; D120-C124 VanDerWaalsContact O-N 3.07Å
121	A	97.5	Very high	96.2	Very high	33 Å²	33	58.1 Å²	58.1	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-77.8	-34.7	-176.9	0	0	0	0	0	113.2	F43 F125	F43-A121 HydrophobicContact CB-CB 4.22Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 PolarHBondContact O-N 3.21Å
122	A	97.4	Very high	96.3	Very high	56 Å²	56	51.1 Å²	51.1	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-46.1	178	0	0	0	0	0	110	D120 C124 F125 E126	D120-A122 WeakPolarHBondContact OD1-CA 3.29Å; D120-A122 VanDerWaalsContact OD1-CB 3.32Å; D120-A122 WeakPolarHBondContact OD1-CB 3.44Å; D120-A122 PolarHBondContact OD1-N 2.89Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 2.99Å; A122-F125 WeakPolarHBondContact O-CB 3.23Å; A122-F125 PolarHBondContact O-N 3.48Å; A122-F125 VanDerWaalsContact O-N 3.1Å; A122-E126 PolarHBondContact O-N 2.82Å
123	E	96.9	Very high	96.2	Very high	84 Å²	84	48.9 Å²	48.9	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-37.4	175	-62.1	-169.9	-172.2	0	0	111.3	R112 D120 N127	R112-E123 IonicContact CZ-OE2 3Å; R112-E123 IonicContact NH1-OE2 2.73Å; R112-E123 PolarHBondContact NH1-OE2 3.42Å; R112-E123 IonicContact NH2-OE2 2.6Å; R112-E123 PolarHBondContact NH2-OE2 3.03Å; D120-E123 HydrophobicContact CB-CB 4.16Å; D120-E123 HydrophobicContact CB-CG 4.12Å; D120-E123 PolarHBondContact OD1-N 3.47Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 2.93Å; E123-N127 PolarHBondContact O-ND2 3.28Å
124	C	97.9	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-43.4	172.8	-177.3	0	0	0	0	112.2	F43 A47 F113 D120 A122 N127 L128	F43-C124 HydrophobicContact CD2-CB 3.77Å; F43-C124 HydrophobicContact CE2-CB 4.21Å; A47-C124 HydrophobicContact CB-CB 4.47Å; F113-C124 HydrophobicContact CD1-CB 4.42Å; F113-C124 HydrophobicContact CE1-CB 3.74Å; F113-C124 HydrophobicContact CZ-CB 4.28Å; D120-C124 WeakPolarHBondContact O-CB 3.14Å; D120-C124 PolarHBondContact O-N 3.24Å; D120-C124 VanDerWaalsContact O-N 3.07Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 2.99Å; C124-N127 PolarHBondContact O-N 3.43Å; C124-L128 VanDerWaalsContact O-CG 3.29Å; C124-L128 WeakPolarHBondContact O-CG 3.5Å; C124-L128 PolarHBondContact O-N 3.08Å
125	F	97.5	Very high	95.9	Very high	51 Å²	51	49.1 Å²	49.1	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-49.3	177.7	173.6	-93.2	0	0	0	111.9	A47 V50 L51 L54 A121 A122 N127 L128 L129	A47-F125 HydrophobicContact CB-CB 3.98Å; V50-F125 HydrophobicContact CB-CD2 4.43Å; V50-F125 HydrophobicContact CB-CE2 4.35Å; V50-F125 HydrophobicContact CG1-CD2 4.22Å; V50-F125 HydrophobicContact CG1-CE2 3.74Å; V50-F125 HydrophobicContact CG1-CZ 4.44Å; L51-F125 HydrophobicContact CD2-CD2 4.03Å; L51-F125 HydrophobicContact CD2-CE2 3.45Å; L51-F125 VanDerWaalsContact CD2-CE2 3.45Å; L51-F125 HydrophobicContact CD2-CZ 4.22Å; L51-F125 HydrophobicContact CG-CD2 3.99Å; L51-F125 HydrophobicContact CG-CE2 3.8Å; L54-F125 HydrophobicContact CD1-CE2 4.26Å; L54-F125 HydrophobicContact CD1-CZ 4.23Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 PolarHBondContact O-N 3.21Å; A122-F125 WeakPolarHBondContact O-CB 3.23Å; A122-F125 PolarHBondContact O-N 3.48Å; A122-F125 VanDerWaalsContact O-N 3.1Å; F125-N127 VanDerWaalsContact C-N 3.35Å; F125-N127 PolarHBondContact O-N 3.38Å; F125-L128 PolarHBondContact O-N 3.45Å; F125-L129 HydrophobicContact CD1-CD1 4.15Å; F125-L129 HydrophobicContact CE1-CD1 3.44Å; F125-L129 VanDerWaalsContact CE1-CD1 3.44Å; F125-L129 HydrophobicContact CE1-CG 4.3Å; F125-L129 HydrophobicContact CE2-CD1 4.49Å; F125-L129 HydrophobicContact CZ-CD1 3.65Å; F125-L129 HydrophobicContact CZ-CG 4.32Å; F125-L129 PolarHBondContact O-N 3.1Å; F125-L129 VanDerWaalsContact O-N 3.12Å
126	E	95.8	Very high	95.7	Very high	114 Å²	114	45 Å²	45	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-45.5	177.3	-69.4	173.7	-171.3	0	0	111.1	A122 L128 L129 M130	A122-E126 PolarHBondContact O-N 2.82Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.02Å; E126-L129 PolarHBondContact O-N 2.98Å; E126-L129 VanDerWaalsContact O-N 3.13Å; E126-M130 WeakPolarHBondContact O-CG 3.47Å; E126-M130 PolarHBondContact O-N 2.74Å
127	N	96.6	Very high	95.4	Very high	16 Å²	16	43.6 Å²	43.6	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-37.7	177.4	-84.1	-76.1	0	0	0	113.1	F107 F113 E123 C124 F125 M130 R131	F107-N127 HydrophobicContact CE1-CB 4.36Å; F107-N127 WeakPolarHBondContact CE1-OD1 3.36Å; F107-N127 HydrophobicContact CE2-CB 4.17Å; F107-N127 HydrophobicContact CZ-CB 3.66Å; F107-N127 WeakPolarHBondContact CZ-OD1 3.4Å; F113-N127 HydrophobicContact CE2-CB 4.1Å; F113-N127 HydrophobicContact CZ-CB 4.23Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 2.93Å; E123-N127 PolarHBondContact O-ND2 3.28Å; C124-N127 PolarHBondContact O-N 3.43Å; F125-N127 VanDerWaalsContact C-N 3.35Å; F125-N127 PolarHBondContact O-N 3.38Å; N127-M130 HydrophobicContact CB-CE 4.18Å; N127-M130 PolarHBondContact O-N 2.92Å; N127-M130 WeakPolarHBondContact OD1-CE 3.47Å; N127-R131 WeakPolarHBondContact O-CB 3.26Å; N127-R131 VanDerWaalsContact O-CG 3.23Å; N127-R131 WeakPolarHBondContact O-CG 3.19Å; N127-R131 PolarHBondContact O-N 2.78Å
128	L	97.4	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-44	173.7	-72.9	171.3	0	0	0	111.2	L44 A47 L51 I75 L99 L103 C124 F125 E126 R131 I132	L44-L128 HydrophobicContact CD1-CD1 4.06Å; A47-L128 HydrophobicContact CB-CD1 4.16Å; L51-L128 HydrophobicContact CD1-CB 4.13Å; L51-L128 HydrophobicContact CD1-CD1 3.81Å; I75-L128 HydrophobicContact CG2-CD2 3.6Å; L99-L128 HydrophobicContact CD1-CD2 4.3Å; L103-L128 HydrophobicContact CD1-CD2 4.21Å; C124-L128 VanDerWaalsContact O-CG 3.29Å; C124-L128 WeakPolarHBondContact O-CG 3.5Å; C124-L128 PolarHBondContact O-N 3.08Å; F125-L128 PolarHBondContact O-N 3.45Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.02Å; L128-R131 PolarHBondContact O-N 3.46Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 WeakPolarHBondContact O-CG1 3.33Å; L128-I132 PolarHBondContact O-N 3.24Å
129	L	95.8	Very high	93	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-47.2	177.1	-68.3	-178.8	0	0	0	111.9	L51 F57 F125 E126 R131 I132 H133	L51-L129 HydrophobicContact CD2-CD2 3.74Å; L51-L129 HydrophobicContact CD2-CG 4.43Å; F57-L129 HydrophobicContact CD2-CD2 4.23Å; F57-L129 HydrophobicContact CE2-CD2 3.66Å; F57-L129 HydrophobicContact CZ-CD2 4.32Å; F125-L129 HydrophobicContact CD1-CD1 4.15Å; F125-L129 HydrophobicContact CE1-CD1 3.44Å; F125-L129 VanDerWaalsContact CE1-CD1 3.44Å; F125-L129 HydrophobicContact CE1-CG 4.3Å; F125-L129 HydrophobicContact CE2-CD1 4.49Å; F125-L129 HydrophobicContact CZ-CD1 3.65Å; F125-L129 HydrophobicContact CZ-CG 4.32Å; F125-L129 PolarHBondContact O-N 3.1Å; F125-L129 VanDerWaalsContact O-N 3.12Å; E126-L129 PolarHBondContact O-N 2.98Å; E126-L129 VanDerWaalsContact O-N 3.13Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.02Å; L129-I132 PolarHBondContact O-N 3.16Å; L129-I132 VanDerWaalsContact O-N 3.15Å; L129-H133 PolarHBondContact O-N 3.29Å
130	M	93.9	Very high	91.6	Very high	73 Å²	73	45 Å²	45	36%	0.36	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-41.6	176.7	-71.5	-169.8	-67.6	0	0	112.1	E126 N127 H133 F134 E142	E126-M130 WeakPolarHBondContact O-CG 3.47Å; E126-M130 PolarHBondContact O-N 2.74Å; N127-M130 HydrophobicContact CB-CE 4.18Å; N127-M130 PolarHBondContact O-N 2.92Å; N127-M130 WeakPolarHBondContact OD1-CE 3.47Å; M130-H133 WeakPolarHBondContact O-CB 3.14Å; M130-H133 PolarHBondContact O-N 3.07Å; M130-F134 PolarHBondContact O-N 3.12Å; M130-E142 WeakPolarHBondContact CG-OE2 3.4Å
131	R	94.8	Very high	90.4	Very high	36 Å²	36	48.6 Å²	48.6	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-37.6	177.2	-69.1	-53.2	-54	148.5	4.1	112.1	M70 I75 T106 F107 N127 L128 L129 F134 H135	M70-R131 PolarHBondContact SD-NH2 2.85Å; I75-R131 HydrophobicContact CB-CB 4.22Å; I75-R131 HydrophobicContact CG1-CB 4.1Å; I75-R131 HydrophobicContact CG1-CG 4.32Å; I75-R131 HydrophobicContact CG2-CB 4.37Å; T106-R131 HydrophobicContact CG2-CG 4.11Å; F107-R131 HydrophobicContact CE2-CG 4.01Å; F107-R131 HydrophobicContact CZ-CG 3.8Å; N127-R131 WeakPolarHBondContact O-CB 3.26Å; N127-R131 VanDerWaalsContact O-CG 3.23Å; N127-R131 WeakPolarHBondContact O-CG 3.19Å; N127-R131 PolarHBondContact O-N 2.78Å; L128-R131 PolarHBondContact O-N 3.46Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.02Å; R131-F134 VanDerWaalsContact NH1-CD1 3.28Å; R131-F134 PolarHBondContact O-N 3.39Å; R131-H135 PolarHBondContact O-CD2 2.84Å; R131-H135 VanDerWaalsContact O-CG 3.31Å; R131-H135 PolarHBondContact O-N 2.67Å
132	I	95.1	Very high	89.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-45.3	175	-69.4	165.7	0	0	0	110.7	F57 F61 L79 L128 L129 F134 H135 I136 I151	F57-I132 HydrophobicContact CE2-CD1 4.27Å; F57-I132 HydrophobicContact CZ-CD1 3.68Å; F61-I132 HydrophobicContact CE2-CD1 4.47Å; F61-I132 HydrophobicContact CE2-CG2 4.32Å; L79-I132 HydrophobicContact CD2-CD1 3.36Å; L79-I132 HydrophobicContact CD2-CG1 4.27Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 WeakPolarHBondContact O-CG1 3.33Å; L128-I132 PolarHBondContact O-N 3.24Å; L129-I132 PolarHBondContact O-N 3.16Å; L129-I132 VanDerWaalsContact O-N 3.15Å; I132-F134 PolarHBondContact O-N 2.98Å; I132-H135 PolarHBondContact O-N 3Å; I132-H135 VanDerWaalsContact O-N 3.12Å; I132-I136 HydrophobicContact CG2-CD1 4.12Å; I132-I136 WeakPolarHBondContact O-CG1 3.4Å; I132-I136 PolarHBondContact O-N 3.12Å; I132-I136 VanDerWaalsContact O-N 3.14Å; I132-I151 HydrophobicContact CG2-CG1 4.33Å
133	H	94.3	Very high	88	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-51.7	-54.4	172.7	173.7	57.5	0	0	0	111.1	L129 M130 H135 I136 A137 T140 C145 C150 S152	L129-H133 PolarHBondContact O-N 3.29Å; M130-H133 WeakPolarHBondContact O-CB 3.14Å; M130-H133 PolarHBondContact O-N 3.07Å; H133-H135 VanDerWaalsContact C-N 3.26Å; H133-H135 PolarHBondContact O-N 2.68Å; H133-I136 PolarHBondContact O-N 3.3Å; H133-A137 WeakPolarHBondContact CE1-CB 3.33Å; H133-A137 WeakPolarHBondContact ND1-CB 3.37Å; H133-A137 WeakPolarHBondContact O-CB 3.32Å; H133-A137 PolarHBondContact O-N 3.26Å; H133-T140 PolarHBondContact NE2-O 3.34Å; H133-C145 WeakPolarHBondContact CE1-CB 3.5Å; H133-C145 PolarHBondContact CE1-SG 3.27Å; H133-C150 PolarHBondContact ND1-SG 3.25Å; H133-S152 WeakPolarHBondContact CB-OG 3.42Å
134	F	93.1	Very high	87.2	Confident	44 Å²	44	57.4 Å²	57.4	19%	0.193	28%	0.283	C	S	.	.	H	α-helix	trans	-53.9	-42.4	176.9	174.8	-87.1	0	0	0	112.6	K68 M70 M130 R131 I132 I136 E139	K68-F134 HydrophobicContact CD-CE1 4.38Å; M70-F134 HydrophobicContact SD-CD1 4.4Å; M70-F134 HydrophobicContact SD-CE1 3.71Å; M130-F134 PolarHBondContact O-N 3.12Å; R131-F134 VanDerWaalsContact NH1-CD1 3.28Å; R131-F134 PolarHBondContact O-N 3.39Å; I132-F134 PolarHBondContact O-N 2.98Å; F134-I136 VanDerWaalsContact C-N 3.32Å; F134-I136 PolarHBondContact O-N 3.18Å; F134-E139 HydrophobicContact CD2-CG 4.05Å; F134-E139 HydrophobicContact CE2-CG 3.56Å; F134-E139 HydrophobicContact CZ-CG 4.19Å
135	H	93.4	Very high	86.4	Confident	3 Å²	3	58 Å²	58	1%	0.014	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-26.7	-179	-74.3	-54	0	0	0	113.6	H67 K68 F76 R131 I132 H133	H67-H135 CarbonylContact C-O 3.49Å; H67-H135 VanDerWaalsContact CA-O 3.28Å; H67-H135 WeakPolarHBondContact CA-O 3.29Å; H67-H135 HydrophobicContact CB-CB 4.25Å; H67-H135 WeakPolarHBondContact CB-O 3.34Å; K68-H135 PolarHBondContact N-O 3.09Å; K68-H135 PolarHBondContact O-ND1 2.82Å; F76-H135 HydrophobicContact CB-CB 4.05Å; F76-H135 HydrophobicContact CD2-CB 4.39Å; R131-H135 PolarHBondContact O-CD2 2.84Å; R131-H135 VanDerWaalsContact O-CG 3.31Å; R131-H135 PolarHBondContact O-N 2.67Å; I132-H135 PolarHBondContact O-N 3Å; I132-H135 VanDerWaalsContact O-N 3.12Å; H133-H135 VanDerWaalsContact C-N 3.26Å; H133-H135 PolarHBondContact O-N 2.68Å
136	I	92.7	Very high	85.7	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-111.5	-22.6	-173.3	69.7	-172.7	0	0	0	114	L64 H67 F76 I132 H133 F134 H149 C150 I151	L64-I136 HydrophobicContact CD1-CD1 4.03Å; L64-I136 HydrophobicContact CD1-CG2 4.3Å; H67-I136 HydrophobicContact CB-CG2 4.3Å; F76-I136 HydrophobicContact CD2-CG2 3.92Å; F76-I136 HydrophobicContact CE2-CG2 3.67Å; I132-I136 HydrophobicContact CG2-CD1 4.12Å; I132-I136 WeakPolarHBondContact O-CG1 3.4Å; I132-I136 PolarHBondContact O-N 3.12Å; I132-I136 VanDerWaalsContact O-N 3.14Å; H133-I136 PolarHBondContact O-N 3.3Å; F134-I136 VanDerWaalsContact C-N 3.32Å; F134-I136 PolarHBondContact O-N 3.18Å; I136-H149 PolarHBondContact O-NE2 2.76Å; I136-C150 HydrophobicContact CD1-CB 4.45Å; I136-I151 HydrophobicContact CD1-CG1 4.21Å
137	A	87.9	Confident	85	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	16.5	-174.1	0	0	0	0	0	113.9	H133 E139 T140	H133-A137 WeakPolarHBondContact CE1-CB 3.33Å; H133-A137 WeakPolarHBondContact ND1-CB 3.37Å; H133-A137 WeakPolarHBondContact O-CB 3.32Å; H133-A137 PolarHBondContact O-N 3.26Å; A137-E139 PolarHBondContact O-N 3.46Å; A137-T140 WeakPolarHBondContact CB-OG1 3.14Å; A137-T140 WeakPolarHBondContact O-CG2 3.18Å; A137-T140 PolarHBondContact O-N 3.29Å; A137-T140 PolarHBondContact O-OG1 2.74Å
138	D	73.4	Confident	84.1	Confident	115 Å²	115	65.9 Å²	65.9	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	56.9	171.2	-159.4	33.4	0	0	0	114	K68 T140	K68-D138 IonicContact NZ-OD1 2.74Å; D138-T140 PolarHBondContact O-N 3.28Å; D138-T140 VanDerWaalsContact O-N 3.13Å
139	E	66	Low	83.5	Confident	115 Å²	115	70.3 Å²	70.3	54%	0.537	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	10.7	172.4	-46.1	-173.7	176.8	0	0	116	K68 F134 A137 K141	K68-E139 IonicContact NZ-OE1 2.72Å; K68-E139 PolarHBondContact NZ-OE1 2.92Å; F134-E139 HydrophobicContact CD2-CG 4.05Å; F134-E139 HydrophobicContact CE2-CG 3.56Å; F134-E139 HydrophobicContact CZ-CG 4.19Å; A137-E139 PolarHBondContact O-N 3.46Å; E139-K141 PolarHBondContact O-N 2.83Å
140	T	69.2	Low	83.1	Confident	67 Å²	67	69.8 Å²	69.8	41%	0.411	36%	0.357	S	S	.	.			trans	-56.6	137.8	164.9	52.3	0	0	0	0	109.7	H133 A137 D138 E142	H133-T140 PolarHBondContact NE2-O 3.34Å; A137-T140 WeakPolarHBondContact CB-OG1 3.14Å; A137-T140 WeakPolarHBondContact O-CG2 3.18Å; A137-T140 PolarHBondContact O-N 3.29Å; A137-T140 PolarHBondContact O-OG1 2.74Å; D138-T140 PolarHBondContact O-N 3.28Å; D138-T140 VanDerWaalsContact O-N 3.13Å; T140-E142 PolarHBondContact O-N 3.36Å
141	K	72	Confident	82.9	Confident	154 Å²	154	67.4 Å²	67.4	67%	0.67	35%	0.345	S	S	*	.			trans	-63.1	135.4	174.6	-69.2	-172.7	177.7	-175	0	109.1	E139 D143 I144 C145	E139-K141 PolarHBondContact O-N 2.83Å; K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å; K141-I144 PolarHBondContact O-N 3.23Å; K141-I144 VanDerWaalsContact O-N 3.09Å; K141-C145 PolarHBondContact O-N 3.27Å
142	E	73.1	Confident	82.4	Confident	74 Å²	74	66.2 Å²	66.2	35%	0.346	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-51.9	-49.3	-178.8	-172.2	176.6	-178.8	0	0	111.5	M130 T140 I144 C145 H153	M130-E142 WeakPolarHBondContact CG-OE2 3.4Å; T140-E142 PolarHBondContact O-N 3.36Å; E142-I144 PolarHBondContact O-N 2.79Å; E142-C145 PolarHBondContact O-N 3.43Å; E142-H153 PolarHBondContact O-NE2 2.73Å
143	D	71.3	Confident	81.5	Confident	157 Å²	157	73 Å²	73	84%	0.84	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-56.7	-17.3	-179.2	-57.4	-30.5	0	0	0	115.4	K141	K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å
144	I	79.9	Confident	80.9	Confident	127 Å²	127	76.3 Å²	76.3	65%	0.651	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-123.3	-0.1	-174.6	-42.3	174.9	0	0	0	110.7	K141 E142 T146	K141-I144 PolarHBondContact O-N 3.23Å; K141-I144 VanDerWaalsContact O-N 3.09Å; E142-I144 PolarHBondContact O-N 2.79Å; I144-T146 PolarHBondContact O-N 3Å
145	C	82.3	Confident	80.3	Confident	12 Å²	12	77.9 Å²	77.9	8%	0.081	40%	0.401	C	S	.	.			trans	-72	121.8	-177.4	165.8	0	0	0	0	110.4	H133 K141 E142 H153	H133-C145 WeakPolarHBondContact CE1-CB 3.5Å; H133-C145 PolarHBondContact CE1-SG 3.27Å; K141-C145 PolarHBondContact O-N 3.27Å; E142-C145 PolarHBondContact O-N 3.43Å; C145-H153 VanDerWaalsContact CB-CE1 3.43Å; C145-H153 WeakPolarHBondContact CB-CE1 3.47Å; C145-H153 PolarHBondContact O-CE1 2.6Å; C145-H153 PolarHBondContact O-ND1 3.1Å; C145-H153 VanDerWaalsContact SG-CE1 3.54Å
146	T	81.3	Confident	79.5	Confident	124 Å²	124	82.1 Å²	82.1	76%	0.761	42%	0.422	S	S	*	.			trans	-117.8	12.3	178	51.9	0	0	0	0	111.7	I144 Q148	I144-T146 PolarHBondContact O-N 3Å; T146-Q148 PolarHBondContact O-N 3.06Å
147	A	80.8	Confident	78.8	Confident	31 Å²	31	85.9 Å²	85.9	26%	0.256	44%	0.442	S	S	.	.			trans	-62.1	118.7	-178.9	0	0	0	0	0	110.2	H149 C150	A147-H149 PolarHBondContact O-N 2.91Å; A147-H149 VanDerWaalsContact O-N 3.11Å; A147-C150 HydrophobicContact CB-CB 4.04Å; A147-C150 WeakPolarHBondContact O-CB 3.09Å; A147-C150 PolarHBondContact O-N 3.47Å
148	Q	79.6	Confident	78.2	Confident	192 Å²	192	90.8 Å²	90.8	90%	0.897	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.6	-177.6	-66.6	-65.2	-58.4	0	0	113.2	T146	T146-Q148 PolarHBondContact O-N 3.06Å
149	H	83.1	Confident	78.5	Confident	93 Å²	93	89.2 Å²	89.2	43%	0.431	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.4	176.9	66.4	-83.1	0	0	0	113.6	L64 I136 A147	L64-H149 HydrophobicContact CD2-CB 4.49Å; I136-H149 PolarHBondContact O-NE2 2.76Å; A147-H149 PolarHBondContact O-N 2.91Å; A147-H149 VanDerWaalsContact O-N 3.11Å
150	C	87.3	Confident	79.4	Confident	14 Å²	14	87.4 Å²	87.4	10%	0.095	45%	0.45	C	S	.	.			trans	-81.3	123.6	177.8	-163.1	0	0	0	0	110.5	H133 I136 A147 S152	H133-C150 PolarHBondContact ND1-SG 3.25Å; I136-C150 HydrophobicContact CD1-CB 4.45Å; A147-C150 HydrophobicContact CB-CB 4.04Å; A147-C150 WeakPolarHBondContact O-CB 3.09Å; A147-C150 PolarHBondContact O-N 3.47Å; C150-S152 PolarHBondContact SG-OG 3.08Å
151	I	90.1	Very high	80.2	Confident	23 Å²	23	88.9 Å²	88.9	12%	0.118	45%	0.453	C	S	.	.			trans	-108.4	3.3	-171.4	65.8	163.4	0	0	0	113.2	F57 S60 F61 L64 I132 I136	F57-I151 HydrophobicContact CD2-CD1 3.82Å; F57-I151 HydrophobicContact CD2-CG1 4.23Å; F57-I151 HydrophobicContact CE2-CD1 3.56Å; F57-I151 HydrophobicContact CE2-CG1 3.99Å; F57-I151 HydrophobicContact CG-CD1 4.49Å; F57-I151 HydrophobicContact CZ-CD1 4.03Å; S60-I151 VanDerWaalsContact CB-CG2 3.48Å; F61-I151 HydrophobicContact CB-CD1 3.49Å; F61-I151 VanDerWaalsContact CB-CD1 3.49Å; F61-I151 HydrophobicContact CD2-CD1 3.61Å; F61-I151 HydrophobicContact CG-CD1 4.02Å; L64-I151 HydrophobicContact CD1-CD1 3.88Å; L64-I151 HydrophobicContact CD1-CG1 4.1Å; L64-I151 HydrophobicContact CD1-CG2 4.14Å; I132-I151 HydrophobicContact CG2-CG1 4.33Å; I136-I151 HydrophobicContact CD1-CG1 4.21Å
152	S	84.3	Confident	80.9	Confident	11 Å²	11	83.5 Å²	83.5	8%	0.077	44%	0.435	C	S	.	.			trans	-84.2	-13.9	-178	50.3	0	0	0	0	113.5	H133 C150	H133-S152 WeakPolarHBondContact CB-OG 3.42Å; C150-S152 PolarHBondContact SG-OG 3.08Å
153	H	77.4	Confident	81.6	Confident	144 Å²	144	84.4 Å²	84.4	67%	0.667	44%	0.443	S	S	*	.			trans	-93.6	0	174.1	-49.8	157	0	0	0	111.1	E142 C145	E142-H153 PolarHBondContact O-NE2 2.73Å; C145-H153 VanDerWaalsContact CB-CE1 3.43Å; C145-H153 WeakPolarHBondContact CB-CE1 3.47Å; C145-H153 PolarHBondContact O-CE1 2.6Å; C145-H153 PolarHBondContact O-ND1 3.1Å; C145-H153 VanDerWaalsContact SG-CE1 3.54Å

Retrieved 153 of 153 residues in 41.1 ms (Link to these results)

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