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Cholesterol side-chain cleavage enzyme, mitochondrial

A cytochrome P450 monooxygenase that catalyzes the side-chain hydroxylation and cleavage of cholesterol to pregnenolone, the precursor of most steroid hormones. Catalyzes three sequential oxidation reactions of cholesterol, namely the hydroxylation at C22 followed with the hydroxylation at C20 to yield 20R,22R-hydroxycholesterol that is further cleaved between C20 and C22 to yield the C21-steroid pregnenolone and 4-methylpentanal. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate and reducing the second into a water molecule. Two electrons are provided by NADPH via a two-protein mitochondrial transfer system comprising flavoprotein FDXR (adrenodoxin/ferredoxin reductase) and nonheme iron-sulfur protein FDX1 or FDX2 (adrenodoxin/ferredoxin).

AlphaFold DB , UniProt , Accession A0A087WRA8, Species MOUSE (Mus musculus, Mouse), Gene Cyp11a1, Length 115 aa.

						>A0A087WRA8_MOUSE|A0A087WRA8|Cyp11a1
MRRYSSHARVPTRSGSLCPPGWPITSIIRGPLGSCLTISSVIFGERMGMLEEIVDPEAQRFINAVYQMFHTSVPMLNLPPDFFRLLRTKTWKDHAAAWDVIFNKADEYTQNFYWD
					

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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	38.8	Very low	37.5	Very low	253 Å²	253	176.4 Å²	176.4	100%	1.246	87%	0.873	S	S	*	*				0	152.5	0	-82.3	167.6	168.4	0	0	109.3
2	R	31.2	Very low	37.8	Very low	252 Å²	252	172.3 Å²	172.3	95%	0.951	87%	0.865	S	S	*	*			trans	-71.7	149	-146.9	-71.9	172.6	177.6	-153.5	-0	116.7
3	R	42.8	Very low	38.9	Very low	233 Å²	233	178.5 Å²	178.5	88%	0.879	87%	0.872	S	S	*	*			trans	-59.2	153.6	164.8	-63	177.9	177.7	-155	-2	112.5
4	Y	31.3	Very low	38.8	Very low	226 Å²	226	174.4 Å²	174.4	89%	0.886	87%	0.87	S	S	*	*			trans	-178.2	94.6	135.8	-114.8	-85.3	0	0	0	107.5
5	S	36.1	Very low	38.5	Very low	99 Å²	99	166.6 Å²	166.6	69%	0.692	85%	0.852	S	S	*	*				59.7	94.2	80.2	-149	0	0	0	0	113.2	H7	S5-H7 PolarHBondContact O-N 3.14Å
6	S	43.1	Very low	39.2	Very low	117 Å²	117	163.4 Å²	163.4	82%	0.818	85%	0.849	S	S	*	*			trans	-69.9	88.9	171	34.8	0	0	0	0	110.7
7	H	42.8	Very low	39.4	Very low	176 Å²	176	163.6 Å²	163.6	82%	0.815	85%	0.85	S	S	*	*			trans	-146.7	87.2	161.8	-98.1	56.7	0	0	0	107.8	S5 R9	S5-H7 PolarHBondContact O-N 3.14Å; H7-R9 PolarHBondContact O-N 3.08Å
8	A	36.4	Very low	39.5	Very low	110 Å²	110	160.9 Å²	160.9	91%	0.909	85%	0.846	S	S	*	*			trans	-80.7	98.4	169.8	0	0	0	0	0	108.7
9	R	32.9	Very low	39.5	Very low	228 Å²	228	156.6 Å²	156.6	86%	0.86	83%	0.829	S	S	*	*			trans	-51.5	131.7	171.8	-170.1	179.6	-63.7	-157.3	-1.9	111	H7 P11	H7-R9 PolarHBondContact O-N 3.08Å; R9-P11 VanDerWaalsContact O-CD 3.3Å; R9-P11 WeakPolarHBondContact O-CD 3.38Å
10	V	39.7	Very low	39.7	Very low	127 Å²	127	155.8 Å²	155.8	77%	0.77	83%	0.833	S	S	*	*			trans	-56.6	122.6	166	176.4	0	0	0	0	109.1	T12	V10-T12 PolarHBondContact O-N 3.44Å
11	P	37.1	Very low	40.2	Very low	119 Å²	119	152 Å²	152	77%	0.773	83%	0.831	S	S	*	*			trans	-83.8	115.5	166.6	-5	24.3	0	0	0	109.1	R9	R9-P11 VanDerWaalsContact O-CD 3.3Å; R9-P11 WeakPolarHBondContact O-CD 3.38Å
12	T	41.9	Very low	40.4	Very low	127 Å²	127	148.3 Å²	148.3	78%	0.779	80%	0.803	S	S	*	*			trans	-49.2	131.4	163.9	38.9	0	0	0	0	113.3	V10	V10-T12 PolarHBondContact O-N 3.44Å
13	R	51	Low	41.1	Very low	253 Å²	253	140.1 Å²	140.1	96%	0.955	78%	0.782	S	S	*	*			trans	7.2	109.9	145.3	-129.5	-178.9	-174.7	-172.1	0.8	116.1
14	S	37.9	Very low	41.7	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	77%	0.77	S	S	*	*			trans	-169.9	135.3	147.7	-170.2	0	0	0	0	111.1
15	G	34.6	Very low	42.6	Very low	57 Å²	57	128.7 Å²	128.7	59%	0.588	76%	0.757	S	S	*	*			trans	80.7	97.7	165.3	0	0	0	0	0	114.9
16	S	50.3	Low	43	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	74%	0.74	S	S	*	*				33.2	86.4	77.1	74.7	0	0	0	0	113.3
17	L	41.4	Very low	43.4	Very low	168 Å²	168	125.8 Å²	125.8	88%	0.88	73%	0.727	S	S	*	*			trans	-172.2	106	139.5	-120.7	73.8	0	0	0	106.7
18	C	41	Very low	43.7	Very low	114 Å²	114	122.1 Å²	122.1	77%	0.77	71%	0.712	S	S	*	*			trans	-64.7	133.1	171.4	-65.7	0	0	0	0	108.8
19	P	40.3	Very low	44.1	Very low	79 Å²	79	128 Å²	128	51%	0.513	71%	0.711	S	S	.	*			trans	-65.4	143.9	173.6	25.9	-32.4	0	0	0	110.7	G21 W22	P19-G21 PolarHBondContact O-N 3.27Å; P19-W22 HydrophobicContact CG-CE3 4.08Å; P19-W22 HydrophobicContact CG-CZ3 4.36Å
20	P	43.9	Very low	44.8	Very low	141 Å²	141	118.7 Å²	118.7	92%	0.916	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	114.9	178.6	28.4	-31.3	0	0	0	109.2
21	G	48.9	Very low	45.1	Very low	77 Å²	77	118.3 Å²	118.3	79%	0.794	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.7	-0.3	179.3	0	0	0	0	0	115.6	P19 P23	P19-G21 PolarHBondContact O-N 3.27Å; G21-P23 WeakPolarHBondContact O-CD 3.34Å
22	W	43.8	Very low	45.6	Very low	174 Å²	174	118.3 Å²	118.3	66%	0.659	68%	0.679	S	S	*	*			trans	-76.5	126.1	177.5	-139.1	-49.4	0	0	0	111	P19 I24 S26	P19-W22 HydrophobicContact CG-CE3 4.08Å; P19-W22 HydrophobicContact CG-CZ3 4.36Å; W22-I24 PolarHBondContact O-N 3.43Å; W22-S26 PolarHBondContact NE1-OG 2.89Å
23	P	46.7	Very low	45.9	Very low	80 Å²	80	112.3 Å²	112.3	52%	0.519	64%	0.642	S	S	.	*			trans	-60.1	136.4	176.7	20.3	-32.8	0	0	0	111.9	G21 T25 S26	G21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-T25 PolarHBondContact O-N 3.42Å; P23-S26 WeakPolarHBondContact O-CB 3.38Å; P23-S26 PolarHBondContact O-N 3.34Å; P23-S26 PolarHBondContact O-OG 2.97Å
24	I	54.2	Low	46	Very low	122 Å²	122	103.6 Å²	103.6	63%	0.626	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-48.8	-25.2	-179.5	-62.6	172.8	0	0	0	112.3	W22 S26 I27	W22-I24 PolarHBondContact O-N 3.43Å; I24-S26 PolarHBondContact O-N 3.46Å; I24-I27 PolarHBondContact O-N 3.01Å; I24-I27 VanDerWaalsContact O-N 3.15Å
25	T	49.7	Very low	46.6	Very low	98 Å²	98	98.8 Å²	98.8	60%	0.601	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-57.8	-16	175.8	56.3	0	0	0	0	114.5	P23	P23-T25 PolarHBondContact O-N 3.42Å
26	S	44.6	Very low	47.5	Very low	48 Å²	48	99.4 Å²	99.4	34%	0.336	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-83.3	-23.4	-179.2	-43.6	0	0	0	0	113.2	W22 P23 I24 I28 R29	W22-S26 PolarHBondContact NE1-OG 2.89Å; P23-S26 WeakPolarHBondContact O-CB 3.38Å; P23-S26 PolarHBondContact O-N 3.34Å; P23-S26 PolarHBondContact O-OG 2.97Å; I24-S26 PolarHBondContact O-N 3.46Å; S26-I28 VanDerWaalsContact C-N 3.25Å; S26-I28 PolarHBondContact O-N 3.35Å; S26-R29 PolarHBondContact O-N 2.84Å
27	I	52	Low	47.9	Very low	106 Å²	106	96.7 Å²	96.7	54%	0.544	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.5	-31.3	173.7	-62.8	173.9	0	0	0	110.1	I24 R29 G33 L36	I24-I27 PolarHBondContact O-N 3.01Å; I24-I27 VanDerWaalsContact O-N 3.15Å; I27-R29 VanDerWaalsContact C-N 3.27Å; I27-R29 PolarHBondContact O-N 3.32Å; I27-G33 WeakPolarHBondContact O-CA 3.42Å; I27-L36 HydrophobicContact CG2-CD1 4.09Å
28	I	50.1	Low	48.6	Very low	100 Å²	100	91.9 Å²	91.9	51%	0.513	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.1	-179	-54.2	-177	0	0	0	111.9	S26 T37	S26-I28 VanDerWaalsContact C-N 3.25Å; S26-I28 PolarHBondContact O-N 3.35Å; I28-T37 HydrophobicContact CG2-CG2 4.22Å
29	R	44.2	Very low	49.2	Very low	234 Å²	234	86.9 Å²	86.9	88%	0.883	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5	-174.8	-144.2	-179.9	-172.4	127.4	1	114.7	S26 I27	S26-R29 PolarHBondContact O-N 2.84Å; I27-R29 VanDerWaalsContact C-N 3.27Å; I27-R29 PolarHBondContact O-N 3.32Å
30	G	48.4	Very low	49.8	Very low	31 Å²	31	85.7 Å²	85.7	32%	0.32	49%	0.489	S	S	.	.	S	Bend	trans	-86.9	162.9	170.9	0	0	0	0	0	112	L32 G33	G30-L32 PolarHBondContact O-N 3.45Å; G30-G33 WeakPolarHBondContact O-CA 3.33Å; G30-G33 PolarHBondContact O-N 3.44Å
31	P	45.6	Very low	50.3	Low	120 Å²	120	84.6 Å²	84.6	78%	0.779	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.6	173.4	23.7	-32.4	0	0	0	114.1	S34	P31-S34 PolarHBondContact O-OG 2.74Å
32	L	48	Very low	50.6	Low	119 Å²	119	86 Å²	86	62%	0.623	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-28.7	170.2	-68.4	164.6	0	0	0	112.3	G30 C35 L36	G30-L32 PolarHBondContact O-N 3.45Å; L32-C35 WeakPolarHBondContact O-CB 3.45Å; L32-C35 PolarHBondContact O-N 2.9Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.48Å; L32-L36 VanDerWaalsContact O-N 3.09Å
33	G	47.7	Very low	51.2	Low	1 Å²	1	79.9 Å²	79.9	1%	0.01	45%	0.445	C	S	.	.	H	α-helix	trans	-69.2	-33.5	179.2	0	0	0	0	0	113.6	I27 G30 C35 L36 T37	I27-G33 WeakPolarHBondContact O-CA 3.42Å; G30-G33 WeakPolarHBondContact O-CA 3.33Å; G30-G33 PolarHBondContact O-N 3.44Å; G33-C35 VanDerWaalsContact C-N 3.3Å; G33-C35 PolarHBondContact O-N 2.96Å; G33-L36 PolarHBondContact O-N 2.74Å; G33-T37 WeakPolarHBondContact O-CB 3.39Å; G33-T37 WeakPolarHBondContact O-CG2 3.16Å; G33-T37 PolarHBondContact O-N 3.15Å; G33-T37 PolarHBondContact O-OG1 3.45Å
34	S	53.6	Low	51.3	Low	70 Å²	70	79.4 Å²	79.4	49%	0.49	46%	0.455	S	S	.	.	H	α-helix	trans	-65.2	-33.6	170.1	49.3	0	0	0	0	112.2	P31 T37 I38	P31-S34 PolarHBondContact O-OG 2.74Å; S34-T37 VanDerWaalsContact CA-OG1 3.28Å; S34-T37 WeakPolarHBondContact CA-OG1 3.45Å; S34-T37 PolarHBondContact O-OG1 2.87Å; S34-I38 WeakPolarHBondContact O-CB 2.91Å; S34-I38 WeakPolarHBondContact O-CG2 3.27Å; S34-I38 PolarHBondContact O-N 3.16Å
35	C	49.9	Very low	51.1	Low	21 Å²	21	80.8 Å²	80.8	14%	0.142	46%	0.459	C	S	.	.	H	α-helix	trans	-71.9	-40	177.2	-166.1	0	0	0	0	112	L32 G33 I38 S39	L32-C35 WeakPolarHBondContact O-CB 3.45Å; L32-C35 PolarHBondContact O-N 2.9Å; G33-C35 VanDerWaalsContact C-N 3.3Å; G33-C35 PolarHBondContact O-N 2.96Å; C35-I38 WeakPolarHBondContact O-CG2 3.29Å; C35-S39 PolarHBondContact O-N 2.95Å; C35-S39 VanDerWaalsContact O-N 3.12Å; C35-S39 PolarHBondContact O-OG 2.77Å; C35-S39 VanDerWaalsContact O-OG 3.11Å
36	L	53.9	Low	51	Low	70 Å²	70	86.1 Å²	86.1	37%	0.366	47%	0.468	S	S	.	.	H	α-helix	trans	-69	-35.2	177.5	-66	173.7	0	0	0	112.2	I27 L32 G33 S39 S40 M49	I27-L36 HydrophobicContact CG2-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.48Å; L32-L36 VanDerWaalsContact O-N 3.09Å; G33-L36 PolarHBondContact O-N 2.74Å; L36-S39 PolarHBondContact O-OG 2.66Å; L36-S40 WeakPolarHBondContact O-CB 3.48Å; L36-S40 PolarHBondContact O-N 3.36Å; L36-S40 VanDerWaalsContact O-N 3.13Å; L36-S40 PolarHBondContact O-OG 3.24Å; L36-M49 HydrophobicContact CD2-CE 3.39Å
37	T	57.4	Low	51.1	Low	58 Å²	58	86.3 Å²	86.3	36%	0.356	46%	0.464	S	S	.	.	H	α-helix	trans	-72.6	-42.5	176.9	44.3	0	0	0	0	111.4	I28 G33 S34 S39 S40 V41	I28-T37 HydrophobicContact CG2-CG2 4.22Å; G33-T37 WeakPolarHBondContact O-CB 3.39Å; G33-T37 WeakPolarHBondContact O-CG2 3.16Å; G33-T37 PolarHBondContact O-N 3.15Å; G33-T37 PolarHBondContact O-OG1 3.45Å; S34-T37 VanDerWaalsContact CA-OG1 3.28Å; S34-T37 WeakPolarHBondContact CA-OG1 3.45Å; S34-T37 PolarHBondContact O-OG1 2.87Å; T37-S39 PolarHBondContact O-N 3.34Å; T37-S40 WeakPolarHBondContact CA-OG 3.31Å; T37-S40 PolarHBondContact O-N 2.89Å; T37-S40 PolarHBondContact O-OG 3Å; T37-V41 VanDerWaalsContact O-CG2 3.28Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.09Å
38	I	56.5	Low	50.8	Low	66 Å²	66	83.6 Å²	83.6	34%	0.338	46%	0.462	S	S	.	.	H	α-helix	trans	-67.1	-37.5	178.3	-157.2	158.8	0	0	0	112.3	S34 C35 V41 I42 F69	S34-I38 WeakPolarHBondContact O-CB 2.91Å; S34-I38 WeakPolarHBondContact O-CG2 3.27Å; S34-I38 PolarHBondContact O-N 3.16Å; C35-I38 WeakPolarHBondContact O-CG2 3.29Å; I38-V41 PolarHBondContact O-N 3.35Å; I38-I42 HydrophobicContact CG1-CD1 4.02Å; I38-I42 HydrophobicContact CG1-CG1 4.43Å; I38-I42 WeakPolarHBondContact O-CB 3.28Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.4Å; I38-I42 PolarHBondContact O-N 3.32Å; I38-F69 HydrophobicContact CD1-CE2 4.42Å; I38-F69 HydrophobicContact CD1-CZ 3.96Å; I38-F69 HydrophobicContact CG2-CE2 4.43Å
39	S	53.4	Low	50.6	Low	9 Å²	9	81.8 Å²	81.8	6%	0.063	45%	0.452	C	S	.	.	H	α-helix	trans	-63.3	-42.7	171.9	57.3	0	0	0	0	111.4	C35 L36 T37 V41 I42 F43	C35-S39 PolarHBondContact O-N 2.95Å; C35-S39 VanDerWaalsContact O-N 3.12Å; C35-S39 PolarHBondContact O-OG 2.77Å; C35-S39 VanDerWaalsContact O-OG 3.11Å; L36-S39 PolarHBondContact O-OG 2.66Å; T37-S39 PolarHBondContact O-N 3.34Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 2.96Å; S39-I42 PolarHBondContact O-N 3.32Å; S39-F43 VanDerWaalsContact O-CD2 3.29Å; S39-F43 WeakPolarHBondContact O-CD2 3.45Å; S39-F43 PolarHBondContact O-N 2.98Å; S39-F43 VanDerWaalsContact O-N 3.09Å
40	S	53.9	Low	50.8	Low	55 Å²	55	76.7 Å²	76.7	39%	0.385	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-31.2	177.3	70.9	0	0	0	0	113.8	L36 T37 G44	L36-S40 WeakPolarHBondContact O-CB 3.48Å; L36-S40 PolarHBondContact O-N 3.36Å; L36-S40 VanDerWaalsContact O-N 3.13Å; L36-S40 PolarHBondContact O-OG 3.24Å; T37-S40 WeakPolarHBondContact CA-OG 3.31Å; T37-S40 PolarHBondContact O-N 2.89Å; T37-S40 PolarHBondContact O-OG 3Å; S40-G44 PolarHBondContact O-N 2.72Å
41	V	54.2	Low	50.5	Low	117 Å²	117	82.1 Å²	82.1	71%	0.709	46%	0.459	S	S	*	.	H	α-helix	trans	-78	-37.6	178.7	171.3	0	0	0	0	111.2	T37 I38 S39	T37-V41 VanDerWaalsContact O-CG2 3.28Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.09Å; I38-V41 PolarHBondContact O-N 3.35Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 2.96Å
42	I	55.5	Low	50.5	Low	106 Å²	106	86 Å²	86	54%	0.544	47%	0.467	S	S	.	.	H	α-helix	trans	-70.6	-35.9	179.1	-70.2	173.9	0	0	0	111.6	I38 S39	I38-I42 HydrophobicContact CG1-CD1 4.02Å; I38-I42 HydrophobicContact CG1-CG1 4.43Å; I38-I42 WeakPolarHBondContact O-CB 3.28Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.4Å; I38-I42 PolarHBondContact O-N 3.32Å; S39-I42 PolarHBondContact O-N 3.32Å
43	F	55.5	Low	50.3	Low	47 Å²	47	87.5 Å²	87.5	21%	0.206	47%	0.474	C	S	.	.	S	Bend	trans	-90.5	-4.1	-175	-77.4	-83.7	0	0	0	114.7	S39 E45 M47 F61 Y108	S39-F43 VanDerWaalsContact O-CD2 3.29Å; S39-F43 WeakPolarHBondContact O-CD2 3.45Å; S39-F43 PolarHBondContact O-N 2.98Å; S39-F43 VanDerWaalsContact O-N 3.09Å; F43-E45 PolarHBondContact O-N 3.27Å; F43-M47 HydrophobicContact CB-CE 4.25Å; F43-M47 HydrophobicContact CD1-CE 3.96Å; F43-M47 HydrophobicContact CD2-CE 4.38Å; F43-M47 HydrophobicContact CG-CE 3.87Å; F43-F61 HydrophobicContact CD2-CE1 4.1Å; F43-F61 HydrophobicContact CE1-CE1 4.35Å; F43-F61 HydrophobicContact CE1-CZ 4.25Å; F43-F61 AromaticContact CE2-CD1 3.91Å; F43-F61 HydrophobicContact CE2-CD1 3.91Å; F43-F61 AromaticContact CE2-CE1 3.03Å; F43-F61 HydrophobicContact CE2-CE1 3.03Å; F43-F61 HydrophobicContact CE2-CE2 4.31Å; F43-F61 AromaticContact CE2-CZ 3.31Å; F43-F61 HydrophobicContact CE2-CZ 3.31Å; F43-F61 AromaticContact CZ-CD1 3.93Å; F43-F61 HydrophobicContact CZ-CD1 3.93Å; F43-F61 HydrophobicContact CZ-CD2 4.35Å; F43-F61 AromaticContact CZ-CE1 3.2Å; F43-F61 HydrophobicContact CZ-CE1 3.2Å; F43-F61 AromaticContact CZ-CE2 3.64Å; F43-F61 HydrophobicContact CZ-CE2 3.64Å; F43-F61 HydrophobicContact CZ-CG 4.49Å; F43-F61 AromaticContact CZ-CZ 3.05Å; F43-F61 HydrophobicContact CZ-CZ 3.05Å; F43-Y108 HydrophobicContact CE1-CD2 4.41Å
44	G	49.6	Very low	50.6	Low	70 Å²	70	90.4 Å²	90.4	72%	0.722	49%	0.491	S	S	*	.	S	Bend	trans	66.1	-18.4	173	0	0	0	0	0	115.8	S40	S40-G44 PolarHBondContact O-N 2.72Å
45	E	48.4	Very low	50.9	Low	150 Å²	150	91.1 Å²	91.1	70%	0.701	49%	0.489	S	S	*	.	S	Bend	trans	-119	142.4	174.7	-73.2	-163.6	134.8	0	0	110.2	F43 M47	F43-E45 PolarHBondContact O-N 3.27Å; E45-M47 PolarHBondContact O-N 3.4Å
46	R	49.1	Very low	51.7	Low	210 Å²	210	94.4 Å²	94.4	79%	0.792	51%	0.51	S	S	*	.			trans	-61.9	77.8	158.3	-83.9	175	160.5	-105	-1.1	107.4	G48	R46-G48 PolarHBondContact O-N 3.16Å
47	M	45.9	Very low	52.1	Low	53 Å²	53	95.6 Å²	95.6	26%	0.261	51%	0.514	S	S	.	.			trans	-49.1	134.4	161	-77.8	-149.3	-84.5	0	0	106.4	F43 E45 M49	F43-M47 HydrophobicContact CB-CE 4.25Å; F43-M47 HydrophobicContact CD1-CE 3.96Å; F43-M47 HydrophobicContact CD2-CE 4.38Å; F43-M47 HydrophobicContact CG-CE 3.87Å; E45-M47 PolarHBondContact O-N 3.4Å; M47-M49 HydrophobicContact CB-CG 4.41Å; M47-M49 PolarHBondContact O-N 2.87Å
48	G	46.7	Very low	52.4	Low	48 Å²	48	93.4 Å²	93.4	50%	0.495	50%	0.501	S	S	.	.	S	Bend	trans	-60	34.6	-172.8	0	0	0	0	0	116	R46 L50 E51	R46-G48 PolarHBondContact O-N 3.16Å; G48-L50 PolarHBondContact O-N 3.44Å; G48-E51 WeakPolarHBondContact O-CB 3.2Å; G48-E51 PolarHBondContact O-N 3.18Å
49	M	45.5	Very low	52.8	Low	62 Å²	62	95 Å²	95	31%	0.305	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	1.5	170.1	-63.5	-179	61.4	0	0	114.2	L36 M47 I62	L36-M49 HydrophobicContact CD2-CE 3.39Å; M47-M49 HydrophobicContact CB-CG 4.41Å; M47-M49 PolarHBondContact O-N 2.87Å; M49-I62 HydrophobicContact CE-CD1 3.25Å; M49-I62 HydrophobicContact CE-CG1 4.22Å; M49-I62 HydrophobicContact SD-CD1 3.7Å; M49-I62 HydrophobicContact SD-CG1 4.49Å
50	L	47.8	Very low	53.6	Low	128 Å²	128	103.7 Å²	103.7	67%	0.67	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-1.8	169.8	-77.6	163.9	0	0	0	112.8	G48	G48-L50 PolarHBondContact O-N 3.44Å
51	E	42.3	Very low	54.2	Low	144 Å²	144	101.9 Å²	101.9	67%	0.673	52%	0.524	S	S	*	.	S	Bend	trans	-92	147.4	170.2	-67.6	-173.4	169.5	0	0	110.4	G48 I53	G48-E51 WeakPolarHBondContact O-CB 3.2Å; G48-E51 PolarHBondContact O-N 3.18Å; E51-I53 PolarHBondContact O-N 2.9Å
52	E	45.3	Very low	55	Low	203 Å²	203	97.1 Å²	97.1	95%	0.949	50%	0.495	S	S	*	.	S	Bend	trans	-62.5	-8.7	-172.1	-163.9	171.2	-178.7	0	0	113.8
53	I	44.5	Very low	55.7	Low	150 Å²	150	96.1 Å²	96.1	77%	0.769	49%	0.49	S	S	*	.	S	Bend	trans	-118.9	96.6	179.5	-57	169.4	0	0	0	108.3	E51 D55	E51-I53 PolarHBondContact O-N 2.9Å; I53-D55 PolarHBondContact O-N 3.37Å
54	V	54.2	Low	56.2	Low	62 Å²	62	94.6 Å²	94.6	38%	0.376	49%	0.486	S	S	.	.			trans	-77.1	123.1	173.6	-178.2	0	0	0	0	108.7	Q59	V54-Q59 HydrophobicContact CG1-CB 4.05Å
55	D	58.6	Low	57.2	Low	84 Å²	84	91.8 Å²	91.8	45%	0.449	46%	0.455	S	S	.	.			trans	-57.6	125.6	171.8	174.8	76.5	0	0	0	110.1	I53 E57 A58 Q59	I53-D55 PolarHBondContact O-N 3.37Å; D55-E57 PolarHBondContact O-N 3.16Å; D55-E57 VanDerWaalsContact O-N 3.15Å; D55-E57 VanDerWaalsContact OD2-CA 3.28Å; D55-E57 WeakPolarHBondContact OD2-CA 3.4Å; D55-E57 WeakPolarHBondContact OD2-CB 3.33Å; D55-E57 PolarHBondContact OD2-N 3.38Å; D55-A58 HydrophobicContact CB-CB 4.19Å; D55-A58 PolarHBondContact O-N 2.99Å; D55-A58 PolarHBondContact OD2-N 2.97Å; D55-Q59 PolarHBondContact O-N 3.13Å
56	P	67.8	Low	58.2	Low	90 Å²	90	90 Å²	90	58%	0.584	44%	0.443	S	S	*	.	H	α-helix	trans	-64.3	-20	-174.8	23.9	-33.6	0	0	0	113.3	R60	P56-R60 VanDerWaalsContact O-CG 3.24Å; P56-R60 WeakPolarHBondContact O-CG 3.35Å; P56-R60 PolarHBondContact O-N 2.94Å
57	E	61.6	Low	59	Low	96 Å²	96	85 Å²	85	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-78.9	-42.8	175.4	-164.8	166.2	-142.6	0	0	111.2	D55 Q59 R60 F61 K104	D55-E57 PolarHBondContact O-N 3.16Å; D55-E57 VanDerWaalsContact O-N 3.15Å; D55-E57 VanDerWaalsContact OD2-CA 3.28Å; D55-E57 WeakPolarHBondContact OD2-CA 3.4Å; D55-E57 WeakPolarHBondContact OD2-CB 3.33Å; D55-E57 PolarHBondContact OD2-N 3.38Å; E57-Q59 VanDerWaalsContact C-N 3.29Å; E57-Q59 PolarHBondContact O-N 3.43Å; E57-R60 WeakPolarHBondContact O-CB 3.47Å; E57-R60 PolarHBondContact O-N 3.17Å; E57-R60 VanDerWaalsContact O-N 3.17Å; E57-F61 PolarHBondContact O-N 3.38Å; E57-K104 VanDerWaalsContact CD-CE 3.41Å; E57-K104 WeakPolarHBondContact OE1-CE 3.3Å; E57-K104 IonicContact OE1-NZ 2.77Å; E57-K104 PolarHBondContact OE1-NZ 3.32Å; E57-K104 IonicContact OE2-NZ 2.66Å; E57-K104 PolarHBondContact OE2-NZ 3.5Å
58	A	64.9	Low	60	Low	11 Å²	11	83.2 Å²	83.2	9%	0.091	42%	0.42	C	S	.	.	H	α-helix	trans	-58.5	-41	170.6	0	0	0	0	0	111.7	D55 R60 F61 I62	D55-A58 HydrophobicContact CB-CB 4.19Å; D55-A58 PolarHBondContact O-N 2.99Å; D55-A58 PolarHBondContact OD2-N 2.97Å; A58-R60 PolarHBondContact O-N 3.15Å; A58-F61 PolarHBondContact O-N 3.04Å; A58-I62 WeakPolarHBondContact O-CD1 3.28Å; A58-I62 VanDerWaalsContact O-CG1 3.27Å; A58-I62 WeakPolarHBondContact O-CG1 3.08Å; A58-I62 PolarHBondContact O-N 3.18Å
59	Q	63.7	Low	61	Low	100 Å²	100	85.1 Å²	85.1	47%	0.467	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-37.6	176.8	-169.6	63	51.8	0	0	112.7	V54 D55 E57 F61 N63	V54-Q59 HydrophobicContact CG1-CB 4.05Å; D55-Q59 PolarHBondContact O-N 3.13Å; E57-Q59 VanDerWaalsContact C-N 3.29Å; E57-Q59 PolarHBondContact O-N 3.43Å; Q59-F61 VanDerWaalsContact C-N 3.35Å; Q59-N63 WeakPolarHBondContact O-CB 3.49Å; Q59-N63 PolarHBondContact O-N 2.71Å
60	R	71.5	Confident	62	Low	192 Å²	192	88.1 Å²	88.1	73%	0.725	43%	0.427	S	S	*	.	H	α-helix	trans	-65.3	-40.9	174.7	-75.3	169.4	-174.2	-148.5	2.5	111.2	P56 E57 A58 N63 A64	P56-R60 VanDerWaalsContact O-CG 3.24Å; P56-R60 WeakPolarHBondContact O-CG 3.35Å; P56-R60 PolarHBondContact O-N 2.94Å; E57-R60 WeakPolarHBondContact O-CB 3.47Å; E57-R60 PolarHBondContact O-N 3.17Å; E57-R60 VanDerWaalsContact O-N 3.17Å; A58-R60 PolarHBondContact O-N 3.15Å; R60-N63 PolarHBondContact O-N 2.87Å; R60-A64 WeakPolarHBondContact O-CB 3.46Å; R60-A64 PolarHBondContact O-N 3.49Å
61	F	66.4	Low	62.7	Low	16 Å²	16	83.4 Å²	83.4	7%	0.07	40%	0.404	C	S	.	.	H	α-helix	trans	-63.9	-47.5	177.4	-179.2	-84.9	0	0	0	111.9	F43 E57 A58 Q59 N63 A64 V65 I101 K104	F43-F61 HydrophobicContact CD2-CE1 4.1Å; F43-F61 HydrophobicContact CE1-CE1 4.35Å; F43-F61 HydrophobicContact CE1-CZ 4.25Å; F43-F61 AromaticContact CE2-CD1 3.91Å; F43-F61 HydrophobicContact CE2-CD1 3.91Å; F43-F61 AromaticContact CE2-CE1 3.03Å; F43-F61 HydrophobicContact CE2-CE1 3.03Å; F43-F61 HydrophobicContact CE2-CE2 4.31Å; F43-F61 AromaticContact CE2-CZ 3.31Å; F43-F61 HydrophobicContact CE2-CZ 3.31Å; F43-F61 AromaticContact CZ-CD1 3.93Å; F43-F61 HydrophobicContact CZ-CD1 3.93Å; F43-F61 HydrophobicContact CZ-CD2 4.35Å; F43-F61 AromaticContact CZ-CE1 3.2Å; F43-F61 HydrophobicContact CZ-CE1 3.2Å; F43-F61 AromaticContact CZ-CE2 3.64Å; F43-F61 HydrophobicContact CZ-CE2 3.64Å; F43-F61 HydrophobicContact CZ-CG 4.49Å; F43-F61 AromaticContact CZ-CZ 3.05Å; F43-F61 HydrophobicContact CZ-CZ 3.05Å; E57-F61 PolarHBondContact O-N 3.38Å; A58-F61 PolarHBondContact O-N 3.04Å; Q59-F61 VanDerWaalsContact C-N 3.35Å; F61-N63 VanDerWaalsContact C-N 3.28Å; F61-N63 PolarHBondContact O-N 3.05Å; F61-A64 WeakPolarHBondContact O-CB 3.39Å; F61-A64 PolarHBondContact O-N 3.13Å; F61-A64 VanDerWaalsContact O-N 3.09Å; F61-V65 HydrophobicContact CD1-CG2 4.14Å; F61-V65 HydrophobicContact CE1-CB 4.49Å; F61-V65 HydrophobicContact CE1-CG2 3.33Å; F61-V65 HydrophobicContact CE2-CG2 4.33Å; F61-V65 HydrophobicContact CZ-CG2 3.42Å; F61-V65 VanDerWaalsContact CZ-CG2 3.42Å; F61-V65 PolarHBondContact O-N 3.12Å; F61-I101 HydrophobicContact CE2-CB 4.11Å; F61-I101 HydrophobicContact CE2-CG1 3.96Å; F61-I101 HydrophobicContact CE2-CG2 3.89Å; F61-I101 HydrophobicContact CZ-CG1 4.35Å; F61-I101 HydrophobicContact CZ-CG2 4.07Å; F61-K104 HydrophobicContact CD2-CB 4.21Å; F61-K104 HydrophobicContact CE2-CB 4.49Å
62	I	69.6	Low	63.6	Low	18 Å²	18	77.6 Å²	77.6	9%	0.092	38%	0.38	C	S	.	.	H	α-helix	trans	-59.6	-42.4	176.8	-65.3	155.4	0	0	0	110.8	M49 A58 A64 V65 Y66	M49-I62 HydrophobicContact CE-CD1 3.25Å; M49-I62 HydrophobicContact CE-CG1 4.22Å; M49-I62 HydrophobicContact SD-CD1 3.7Å; M49-I62 HydrophobicContact SD-CG1 4.49Å; A58-I62 WeakPolarHBondContact O-CD1 3.28Å; A58-I62 VanDerWaalsContact O-CG1 3.27Å; A58-I62 WeakPolarHBondContact O-CG1 3.08Å; A58-I62 PolarHBondContact O-N 3.18Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 2.96Å; I62-V65 PolarHBondContact O-N 3.4Å; I62-Y66 WeakPolarHBondContact O-CB 3.27Å; I62-Y66 PolarHBondContact O-N 3.48Å
63	N	70.1	Confident	64.4	Low	84 Å²	84	72.3 Å²	72.3	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.9	-165.9	18.5	0	0	0	111.4	Q59 R60 F61 Y66 Q67	Q59-N63 WeakPolarHBondContact O-CB 3.49Å; Q59-N63 PolarHBondContact O-N 2.71Å; R60-N63 PolarHBondContact O-N 2.87Å; F61-N63 VanDerWaalsContact C-N 3.28Å; F61-N63 PolarHBondContact O-N 3.05Å; N63-Y66 PolarHBondContact O-N 2.78Å; N63-Q67 WeakPolarHBondContact O-CB 3.36Å; N63-Q67 WeakPolarHBondContact O-CG 3.5Å; N63-Q67 PolarHBondContact O-N 3.22Å
64	A	67.3	Low	65	Low	15 Å²	15	68.5 Å²	68.5	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-44.7	175.1	0	0	0	0	0	111.9	R60 F61 I62 Q67 M68 I101	R60-A64 WeakPolarHBondContact O-CB 3.46Å; R60-A64 PolarHBondContact O-N 3.49Å; F61-A64 WeakPolarHBondContact O-CB 3.39Å; F61-A64 PolarHBondContact O-N 3.13Å; F61-A64 VanDerWaalsContact O-N 3.09Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 2.96Å; A64-Q67 PolarHBondContact O-N 3.11Å; A64-M68 WeakPolarHBondContact O-CB 3.46Å; A64-M68 PolarHBondContact O-N 3.04Å; A64-I101 HydrophobicContact CB-CD1 4.28Å; A64-I101 HydrophobicContact CB-CG1 4.1Å
65	V	69.1	Low	65	Low	11 Å²	11	66.7 Å²	66.7	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-40.7	175.6	172.4	0	0	0	0	111.7	F61 I62 M68 F69 I101	F61-V65 HydrophobicContact CD1-CG2 4.14Å; F61-V65 HydrophobicContact CE1-CB 4.49Å; F61-V65 HydrophobicContact CE1-CG2 3.33Å; F61-V65 HydrophobicContact CE2-CG2 4.33Å; F61-V65 HydrophobicContact CZ-CG2 3.42Å; F61-V65 VanDerWaalsContact CZ-CG2 3.42Å; F61-V65 PolarHBondContact O-N 3.12Å; I62-V65 PolarHBondContact O-N 3.4Å; V65-M68 WeakPolarHBondContact O-CB 3.49Å; V65-M68 PolarHBondContact O-N 2.64Å; V65-F69 HydrophobicContact CG1-CD2 3.77Å; V65-F69 HydrophobicContact CG1-CE2 3.68Å; V65-F69 VanDerWaalsContact O-CD2 3.31Å; V65-F69 WeakPolarHBondContact O-CD2 3.49Å; V65-F69 PolarHBondContact O-N 3.29Å; V65-I101 HydrophobicContact CG2-CD1 3.94Å; V65-I101 HydrophobicContact CG2-CG1 4.22Å
66	Y	70	Confident	65.1	Low	113 Å²	113	69.6 Å²	69.6	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-46	174.4	-179.3	-97.9	0	0	0	111.5	I62 N63 M68 F69 H70	I62-Y66 WeakPolarHBondContact O-CB 3.27Å; I62-Y66 PolarHBondContact O-N 3.48Å; N63-Y66 PolarHBondContact O-N 2.78Å; Y66-M68 VanDerWaalsContact C-N 3.35Å; Y66-M68 PolarHBondContact O-N 2.87Å; Y66-F69 PolarHBondContact O-N 3.47Å; Y66-H70 VanDerWaalsContact O-CB 3.31Å; Y66-H70 WeakPolarHBondContact O-CB 3.33Å; Y66-H70 PolarHBondContact O-N 3.34Å
67	Q	66.8	Low	64.7	Low	104 Å²	104	71.5 Å²	71.5	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176	-73.8	-143.3	35.2	0	0	112.3	N63 A64 H70 T71	N63-Q67 WeakPolarHBondContact O-CB 3.36Å; N63-Q67 WeakPolarHBondContact O-CG 3.5Å; N63-Q67 PolarHBondContact O-N 3.22Å; A64-Q67 PolarHBondContact O-N 3.11Å; Q67-H70 PolarHBondContact O-N 2.81Å; Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 WeakPolarHBondContact O-CG2 3.28Å; Q67-T71 PolarHBondContact O-N 3.4Å; Q67-T71 PolarHBondContact O-OG1 3.02Å
68	M	66.9	Low	64.5	Low	16 Å²	16	69.8 Å²	69.8	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-56	-54.9	174.5	-177.8	-143.2	84.5	0	0	110.5	A64 V65 Y66 H70 T71 S72 W98 I101	A64-M68 WeakPolarHBondContact O-CB 3.46Å; A64-M68 PolarHBondContact O-N 3.04Å; V65-M68 WeakPolarHBondContact O-CB 3.49Å; V65-M68 PolarHBondContact O-N 2.64Å; Y66-M68 VanDerWaalsContact C-N 3.35Å; Y66-M68 PolarHBondContact O-N 2.87Å; M68-H70 PolarHBondContact O-N 2.95Å; M68-T71 PolarHBondContact O-N 3.01Å; M68-T71 PolarHBondContact O-OG1 3.24Å; M68-S72 WeakPolarHBondContact O-CB 3.45Å; M68-S72 PolarHBondContact O-N 3.49Å; M68-S72 PolarHBondContact O-OG 3.49Å; M68-W98 HydrophobicContact CE-CH2 4.42Å; M68-W98 HydrophobicContact CE-CZ2 4.17Å; M68-W98 HydrophobicContact CG-CD2 4.11Å; M68-W98 VanDerWaalsContact CG-CE2 3.41Å; M68-W98 HydrophobicContact CG-CH2 4.31Å; M68-W98 HydrophobicContact CG-CZ2 3.55Å; M68-W98 HydrophobicContact SD-CD2 4.22Å; M68-W98 HydrophobicContact SD-CE3 4.34Å; M68-W98 HydrophobicContact SD-CH2 3.4Å; M68-W98 WeakPolarHBondContact SD-CH2 3.44Å; M68-W98 HydrophobicContact SD-CZ2 3.2Å; M68-W98 WeakPolarHBondContact SD-CZ2 3.38Å; M68-W98 HydrophobicContact SD-CZ3 3.97Å; M68-I101 HydrophobicContact CB-CD1 4.16Å; M68-I101 HydrophobicContact CG-CD1 4.39Å; M68-I101 HydrophobicContact SD-CD1 4.21Å
69	F	66.8	Low	64.1	Low	89 Å²	89	72.6 Å²	72.6	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.7	-81.3	-66.9	0	0	0	112.6	I38 V65 Y66 T71 S72 V73	I38-F69 HydrophobicContact CD1-CE2 4.42Å; I38-F69 HydrophobicContact CD1-CZ 3.96Å; I38-F69 HydrophobicContact CG2-CE2 4.43Å; V65-F69 HydrophobicContact CG1-CD2 3.77Å; V65-F69 HydrophobicContact CG1-CE2 3.68Å; V65-F69 VanDerWaalsContact O-CD2 3.31Å; V65-F69 WeakPolarHBondContact O-CD2 3.49Å; V65-F69 PolarHBondContact O-N 3.29Å; Y66-F69 PolarHBondContact O-N 3.47Å; F69-T71 VanDerWaalsContact C-N 3.28Å; F69-T71 PolarHBondContact O-N 3.24Å; F69-S72 PolarHBondContact O-N 3.35Å; F69-V73 WeakPolarHBondContact O-CG2 3.21Å; F69-V73 PolarHBondContact O-N 2.87Å
70	H	66.4	Low	63.9	Low	124 Å²	124	72.7 Å²	72.7	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-35	-178.7	-166.1	74.6	0	0	0	112.8	Y66 Q67 M68 P74	Y66-H70 VanDerWaalsContact O-CB 3.31Å; Y66-H70 WeakPolarHBondContact O-CB 3.33Å; Y66-H70 PolarHBondContact O-N 3.34Å; Q67-H70 PolarHBondContact O-N 2.81Å; M68-H70 PolarHBondContact O-N 2.95Å; H70-P74 WeakPolarHBondContact O-CD 3.45Å
71	T	63	Low	63.3	Low	30 Å²	30	69.5 Å²	69.5	18%	0.184	37%	0.371	C	S	.	.	H	α-helix	trans	-87.2	-23.7	178.3	51.3	0	0	0	0	112.8	Q67 M68 F69 P74 M75 H94	Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 WeakPolarHBondContact O-CG2 3.28Å; Q67-T71 PolarHBondContact O-N 3.4Å; Q67-T71 PolarHBondContact O-OG1 3.02Å; M68-T71 PolarHBondContact O-N 3.01Å; M68-T71 PolarHBondContact O-OG1 3.24Å; F69-T71 VanDerWaalsContact C-N 3.28Å; F69-T71 PolarHBondContact O-N 3.24Å; T71-P74 VanDerWaalsContact O-CD 3.3Å; T71-P74 WeakPolarHBondContact O-CD 3.38Å; T71-P74 WeakPolarHBondContact O-CG 3.36Å; T71-M75 WeakPolarHBondContact O-CE 3.35Å; T71-H94 PolarHBondContact OG1-CE1 3.18Å; T71-H94 VanDerWaalsContact OG1-CE1 3.3Å; T71-H94 PolarHBondContact OG1-ND1 3.5Å
72	S	60.9	Low	63	Low	22 Å²	22	73.3 Å²	73.3	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-70.1	-34.2	172.4	-65.6	0	0	0	0	113.5	M68 F69 M75 L76 H94	M68-S72 WeakPolarHBondContact O-CB 3.45Å; M68-S72 PolarHBondContact O-N 3.49Å; M68-S72 PolarHBondContact O-OG 3.49Å; F69-S72 PolarHBondContact O-N 3.35Å; S72-M75 PolarHBondContact O-N 2.92Å; S72-M75 VanDerWaalsContact O-N 3.1Å; S72-L76 PolarHBondContact O-N 2.91Å; S72-H94 PolarHBondContact OG-CE1 3.01Å
73	V	61.7	Low	62.3	Low	91 Å²	91	75.9 Å²	75.9	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-56.4	-48.2	178.7	171.1	0	0	0	0	113.4	F69 M75 N77	F69-V73 WeakPolarHBondContact O-CG2 3.21Å; F69-V73 PolarHBondContact O-N 2.87Å; V73-M75 VanDerWaalsContact C-N 3.32Å; V73-M75 PolarHBondContact O-N 2.86Å; V73-N77 PolarHBondContact O-ND2 3.1Å
74	P	57.4	Low	61.7	Low	71 Å²	71	82.1 Å²	82.1	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-26.2	174.8	23.2	-30.6	0	0	0	113.2	H70 T71 L78	H70-P74 WeakPolarHBondContact O-CD 3.45Å; T71-P74 VanDerWaalsContact O-CD 3.3Å; T71-P74 WeakPolarHBondContact O-CD 3.38Å; T71-P74 WeakPolarHBondContact O-CG 3.36Å; P74-L78 WeakPolarHBondContact O-CD1 3.33Å; P74-L78 WeakPolarHBondContact O-CG 3.31Å
75	M	54.9	Low	61.1	Low	24 Å²	24	87.4 Å²	87.4	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-77.4	-33.2	177.7	-76.2	-169.3	-70	0	0	113.9	T71 S72 V73 N77 L78 F83 W91 H94	T71-M75 WeakPolarHBondContact O-CE 3.35Å; S72-M75 PolarHBondContact O-N 2.92Å; S72-M75 VanDerWaalsContact O-N 3.1Å; V73-M75 VanDerWaalsContact C-N 3.32Å; V73-M75 PolarHBondContact O-N 2.86Å; M75-N77 PolarHBondContact O-N 3.38Å; M75-L78 PolarHBondContact O-N 3.3Å; M75-F83 HydrophobicContact CB-CE1 3.82Å; M75-F83 HydrophobicContact CB-CZ 3.99Å; M75-F83 HydrophobicContact CG-CE1 4.11Å; M75-F83 WeakPolarHBondContact O-CZ 3.24Å; M75-F83 HydrophobicContact SD-CD1 4.35Å; M75-F83 HydrophobicContact SD-CE1 3.89Å; M75-W91 HydrophobicContact CE-CE3 4.47Å; M75-W91 HydrophobicContact CE-CZ3 4.37Å; M75-W91 HydrophobicContact SD-CE3 3.65Å; M75-W91 HydrophobicContact SD-CZ3 3.74Å; M75-H94 HydrophobicContact CE-CB 4.38Å; M75-H94 VanDerWaalsContact CE-CD2 3.45Å; M75-H94 WeakPolarHBondContact CE-CD2 3.4Å; M75-H94 WeakPolarHBondContact CE-NE2 3.34Å
76	L	60.9	Low	60.5	Low	144 Å²	144	89 Å²	89	75%	0.754	45%	0.449	S	S	*	.	H	α-helix	trans	-68.7	-19.4	177.7	-88.1	159.4	0	0	0	113.7	S72	S72-L76 PolarHBondContact O-N 2.91Å
77	N	59	Low	59.7	Low	131 Å²	131	93.6 Å²	93.6	70%	0.701	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1.5	176	-71.5	-68.3	0	0	0	113.1	V73 M75	V73-N77 PolarHBondContact O-ND2 3.1Å; M75-N77 PolarHBondContact O-N 3.38Å
78	L	56.7	Low	59.6	Low	60 Å²	60	91.8 Å²	91.8	31%	0.314	46%	0.462	S	S	.	.	S	Bend	trans	-113.2	135.6	-174.8	-70.9	170	0	0	0	111.5	P74 M75 F82 L86	P74-L78 WeakPolarHBondContact O-CD1 3.33Å; P74-L78 WeakPolarHBondContact O-CG 3.31Å; M75-L78 PolarHBondContact O-N 3.3Å; L78-F82 HydrophobicContact CB-CB 4.05Å; L78-F82 HydrophobicContact CD2-CD1 4.25Å; L78-F82 HydrophobicContact CD2-CG 4.25Å; L78-L86 HydrophobicContact CD1-CD1 3.82Å
79	P	58.1	Low	59.5	Low	69 Å²	69	98.6 Å²	98.6	45%	0.448	49%	0.491	S	S	.	.			trans	-64.9	156.3	-179.7	24.3	-31.4	0	0	0	112.2	D81 F82	P79-D81 PolarHBondContact O-N 3.42Å; P79-F82 HydrophobicContact CG-CD2 4.06Å; P79-F82 WeakPolarHBondContact O-CB 3.45Å; P79-F82 PolarHBondContact O-N 3.33Å
80	P	58.9	Low	59.4	Low	103 Å²	103	98.5 Å²	98.5	67%	0.669	50%	0.498	S	S	*	.	H	α-helix	trans	-52.6	-30.7	-174.1	15.7	-29.5	0	0	0	114.6	F82 F83	P80-F82 VanDerWaalsContact C-N 3.26Å; P80-F82 PolarHBondContact O-N 2.7Å; P80-F83 PolarHBondContact O-N 3Å
81	D	59.3	Low	59.4	Low	124 Å²	124	97.6 Å²	97.6	66%	0.663	49%	0.49	S	S	*	.	H	α-helix	trans	-68.5	-22.4	178.1	-62.9	-47.1	0	0	0	113.7	P79 R84	P79-D81 PolarHBondContact O-N 3.42Å; D81-R84 PolarHBondContact O-N 3.32Å
82	F	58.4	Low	59.9	Low	97 Å²	97	103.2 Å²	103.2	43%	0.425	51%	0.511	S	S	.	.	H	α-helix	trans	-74.8	-27.3	174.4	-101.8	-96.1	0	0	0	112.8	L78 P79 P80 R84 L85 L86	L78-F82 HydrophobicContact CB-CB 4.05Å; L78-F82 HydrophobicContact CD2-CD1 4.25Å; L78-F82 HydrophobicContact CD2-CG 4.25Å; P79-F82 HydrophobicContact CG-CD2 4.06Å; P79-F82 WeakPolarHBondContact O-CB 3.45Å; P79-F82 PolarHBondContact O-N 3.33Å; P80-F82 VanDerWaalsContact C-N 3.26Å; P80-F82 PolarHBondContact O-N 2.7Å; F82-R84 PolarHBondContact O-N 3.5Å; F82-L85 CarbonylContact O-C 3.53Å; F82-L85 PolarHBondContact O-N 2.83Å; F82-L85 VanDerWaalsContact O-N 3.07Å; F82-L86 VanDerWaalsContact O-CB 3.28Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 VanDerWaalsContact O-CG 3.31Å; F82-L86 WeakPolarHBondContact O-CG 3.47Å; F82-L86 PolarHBondContact O-N 3.41Å
83	F	55.7	Low	60.3	Low	72 Å²	72	106.5 Å²	106.5	32%	0.316	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-29.3	174.2	-69.2	-90.2	0	0	0	111.8	M75 P80 W91	M75-F83 HydrophobicContact CB-CE1 3.82Å; M75-F83 HydrophobicContact CB-CZ 3.99Å; M75-F83 HydrophobicContact CG-CE1 4.11Å; M75-F83 WeakPolarHBondContact O-CZ 3.24Å; M75-F83 HydrophobicContact SD-CD1 4.35Å; M75-F83 HydrophobicContact SD-CE1 3.89Å; P80-F83 PolarHBondContact O-N 3Å; F83-W91 HydrophobicContact CD1-CE3 4.49Å; F83-W91 HydrophobicContact CD1-CZ3 4.04Å; F83-W91 HydrophobicContact CE1-CZ3 4.32Å
84	R	56.9	Low	60.5	Low	215 Å²	215	102.7 Å²	102.7	81%	0.811	50%	0.503	S	S	*	.	H	α-helix	trans	-72.3	-32.5	174	-142.9	175.3	85.4	165.1	4.2	112.4	D81 F82	D81-R84 PolarHBondContact O-N 3.32Å; F82-R84 PolarHBondContact O-N 3.5Å
85	L	54.9	Low	61.2	Low	125 Å²	125	100.9 Å²	100.9	65%	0.654	50%	0.495	S	S	*	.	H	α-helix	trans	-82.1	-32.5	176.5	-84.3	156.1	0	0	0	112.8	F82 R87	F82-L85 CarbonylContact O-C 3.53Å; F82-L85 PolarHBondContact O-N 2.83Å; F82-L85 VanDerWaalsContact O-N 3.07Å; L85-R87 PolarHBondContact O-N 2.88Å; L85-R87 VanDerWaalsContact O-N 3.09Å
86	L	57.1	Low	62.2	Low	46 Å²	46	102.1 Å²	102.1	24%	0.241	51%	0.508	C	S	.	.			trans	-76	20.2	174.1	-72.4	170.7	0	0	0	112.9	L78 F82 T88 W91	L78-L86 HydrophobicContact CD1-CD1 3.82Å; F82-L86 VanDerWaalsContact O-CB 3.28Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 VanDerWaalsContact O-CG 3.31Å; F82-L86 WeakPolarHBondContact O-CG 3.47Å; F82-L86 PolarHBondContact O-N 3.41Å; L86-T88 PolarHBondContact O-N 3.37Å; L86-T88 PolarHBondContact O-OG1 3.38Å; L86-W91 WeakPolarHBondContact O-CB 3.39Å
87	R	53.7	Low	62.6	Low	208 Å²	208	96 Å²	96	79%	0.785	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	23.3	155.6	-83.7	-175.9	71.7	164.8	2.9	113.3	L85	L85-R87 PolarHBondContact O-N 2.88Å; L85-R87 VanDerWaalsContact O-N 3.09Å
88	T	64	Low	63.1	Low	67 Å²	67	94 Å²	94	41%	0.411	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	163	169.9	54.3	0	0	0	0	109.9	L86 T90 W91	L86-T88 PolarHBondContact O-N 3.37Å; L86-T88 PolarHBondContact O-OG1 3.38Å; T88-T90 PolarHBondContact O-N 2.93Å; T88-W91 PolarHBondContact O-N 3.31Å
89	K	64.8	Low	64.1	Low	159 Å²	159	96 Å²	96	69%	0.691	47%	0.472	S	S	*	.	H	α-helix	trans	-46.1	-35.9	-178.8	-179.3	171.6	175.2	165.6	0	113.5	W91 K92 D93	K89-W91 PolarHBondContact O-N 2.89Å; K89-K92 WeakPolarHBondContact O-CB 3.28Å; K89-K92 PolarHBondContact O-N 3.49Å; K89-K92 VanDerWaalsContact O-N 3.14Å; K89-D93 VanDerWaalsContact O-CG 3.27Å; K89-D93 PolarHBondContact O-N 3.09Å
90	T	63.8	Low	65	Low	86 Å²	86	96.4 Å²	96.4	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-61.1	-37.5	179.2	-48.2	0	0	0	0	114.2	T88 D93 H94	T88-T90 PolarHBondContact O-N 2.93Å; T90-D93 PolarHBondContact O-N 2.92Å; T90-H94 WeakPolarHBondContact O-CB 3.42Å; T90-H94 PolarHBondContact O-N 3.35Å
91	W	67.4	Low	65.6	Low	106 Å²	106	92.4 Å²	92.4	40%	0.402	45%	0.446	S	S	.	.	H	α-helix	trans	-70.1	-35.7	175.4	174.3	-102.8	0	0	0	111.9	M75 F83 L86 T88 K89 H94 A95	M75-W91 HydrophobicContact CE-CE3 4.47Å; M75-W91 HydrophobicContact CE-CZ3 4.37Å; M75-W91 HydrophobicContact SD-CE3 3.65Å; M75-W91 HydrophobicContact SD-CZ3 3.74Å; F83-W91 HydrophobicContact CD1-CE3 4.49Å; F83-W91 HydrophobicContact CD1-CZ3 4.04Å; F83-W91 HydrophobicContact CE1-CZ3 4.32Å; L86-W91 WeakPolarHBondContact O-CB 3.39Å; T88-W91 PolarHBondContact O-N 3.31Å; K89-W91 PolarHBondContact O-N 2.89Å; W91-H94 PolarHBondContact O-N 3.27Å; W91-A95 WeakPolarHBondContact O-CB 3.49Å; W91-A95 PolarHBondContact O-N 3.04Å
92	K	72.5	Confident	66.3	Low	148 Å²	148	92 Å²	92	64%	0.643	44%	0.439	S	S	*	.	H	α-helix	trans	-65.3	-42.6	174.5	-67.1	-175.4	176	-175.4	0	111.2	K89 H94 A95 A96	K89-K92 WeakPolarHBondContact O-CB 3.28Å; K89-K92 PolarHBondContact O-N 3.49Å; K89-K92 VanDerWaalsContact O-N 3.14Å; K92-H94 VanDerWaalsContact C-N 3.3Å; K92-H94 PolarHBondContact O-N 3.4Å; K92-A95 PolarHBondContact O-N 3.02Å; K92-A96 VanDerWaalsContact O-CB 3.28Å; K92-A96 WeakPolarHBondContact O-CB 3.31Å; K92-A96 PolarHBondContact O-N 2.97Å
93	D	69.4	Low	67.1	Low	91 Å²	91	92.2 Å²	92.2	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-36.7	176.9	-62.1	-19.3	0	0	0	110.7	K89 T90 A97	K89-D93 VanDerWaalsContact O-CG 3.27Å; K89-D93 PolarHBondContact O-N 3.09Å; T90-D93 PolarHBondContact O-N 2.92Å; D93-A97 WeakPolarHBondContact O-CB 3.41Å; D93-A97 PolarHBondContact O-N 3.15Å
94	H	66.6	Low	67.8	Low	11 Å²	11	90.4 Å²	90.4	5%	0.051	44%	0.436	C	S	.	.	H	α-helix	trans	-66.5	-47.2	173.4	-171.1	74.5	0	0	0	112.7	T71 S72 M75 T90 W91 K92 A96 A97 W98	T71-H94 PolarHBondContact OG1-CE1 3.18Å; T71-H94 VanDerWaalsContact OG1-CE1 3.3Å; T71-H94 PolarHBondContact OG1-ND1 3.5Å; S72-H94 PolarHBondContact OG-CE1 3.01Å; M75-H94 HydrophobicContact CE-CB 4.38Å; M75-H94 VanDerWaalsContact CE-CD2 3.45Å; M75-H94 WeakPolarHBondContact CE-CD2 3.4Å; M75-H94 WeakPolarHBondContact CE-NE2 3.34Å; T90-H94 WeakPolarHBondContact O-CB 3.42Å; T90-H94 PolarHBondContact O-N 3.35Å; W91-H94 PolarHBondContact O-N 3.27Å; K92-H94 VanDerWaalsContact C-N 3.3Å; K92-H94 PolarHBondContact O-N 3.4Å; H94-A96 VanDerWaalsContact C-N 3.34Å; H94-A96 PolarHBondContact O-N 3.24Å; H94-A97 PolarHBondContact O-N 3.47Å; H94-W98 AromaticContact CD2-CD1 3.48Å; H94-W98 VanDerWaalsContact CD2-CD1 3.48Å; H94-W98 AromaticContact CD2-NE1 3.6Å; H94-W98 AromaticContact CE1-CD1 3.79Å; H94-W98 AromaticContact CE1-NE1 3.37Å; H94-W98 PolarHBondContact CE1-NE1 3.46Å; H94-W98 AromaticContact NE2-CD1 3.32Å; H94-W98 VanDerWaalsContact NE2-CD1 3.32Å; H94-W98 AromaticContact NE2-NE1 2.9Å; H94-W98 PolarHBondContact NE2-NE1 2.88Å; H94-W98 VanDerWaalsContact O-CD1 3.32Å; H94-W98 PolarHBondContact O-N 3.07Å
95	A	73	Confident	68.4	Low	33 Å²	33	81.8 Å²	81.8	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-42.2	177.2	0	0	0	0	0	111.3	W91 K92 A97 W98 D99	W91-A95 WeakPolarHBondContact O-CB 3.49Å; W91-A95 PolarHBondContact O-N 3.04Å; K92-A95 PolarHBondContact O-N 3.02Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.09Å; A95-W98 WeakPolarHBondContact O-CB 3.41Å; A95-W98 PolarHBondContact O-N 3.47Å; A95-D99 PolarHBondContact O-N 3.07Å
96	A	75.1	Confident	69.2	Low	49 Å²	49	80.3 Å²	80.3	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-36.4	175.6	0	0	0	0	0	112.6	K92 H94 D99 V100	K92-A96 VanDerWaalsContact O-CB 3.28Å; K92-A96 WeakPolarHBondContact O-CB 3.31Å; K92-A96 PolarHBondContact O-N 2.97Å; H94-A96 VanDerWaalsContact C-N 3.34Å; H94-A96 PolarHBondContact O-N 3.24Å; A96-D99 PolarHBondContact O-N 2.72Å; A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A96-V100 PolarHBondContact O-N 3.48Å; A96-V100 VanDerWaalsContact O-N 3.16Å
97	A	69.9	Low	69.7	Low	17 Å²	17	83.4 Å²	83.4	14%	0.14	42%	0.417	C	S	.	.	H	α-helix	trans	-65.1	-40.2	173.4	0	0	0	0	0	111.7	D93 H94 A95 V100 I101	D93-A97 WeakPolarHBondContact O-CB 3.41Å; D93-A97 PolarHBondContact O-N 3.15Å; H94-A97 PolarHBondContact O-N 3.47Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.09Å; A97-V100 PolarHBondContact O-N 3.01Å; A97-I101 WeakPolarHBondContact O-CG1 3.02Å; A97-I101 PolarHBondContact O-N 2.69Å; A97-I101 VanDerWaalsContact O-N 3.16Å
98	W	69.1	Low	70.1	Confident	88 Å²	88	78.7 Å²	78.7	33%	0.333	40%	0.4	S	S	.	.	H	α-helix	trans	-64.5	-40.7	173	-86.1	105.8	0	0	0	112.9	M68 H94 A95 V100 I101 F102	M68-W98 HydrophobicContact CE-CH2 4.42Å; M68-W98 HydrophobicContact CE-CZ2 4.17Å; M68-W98 HydrophobicContact CG-CD2 4.11Å; M68-W98 VanDerWaalsContact CG-CE2 3.41Å; M68-W98 HydrophobicContact CG-CH2 4.31Å; M68-W98 HydrophobicContact CG-CZ2 3.55Å; M68-W98 HydrophobicContact SD-CD2 4.22Å; M68-W98 HydrophobicContact SD-CE3 4.34Å; M68-W98 HydrophobicContact SD-CH2 3.4Å; M68-W98 WeakPolarHBondContact SD-CH2 3.44Å; M68-W98 HydrophobicContact SD-CZ2 3.2Å; M68-W98 WeakPolarHBondContact SD-CZ2 3.38Å; M68-W98 HydrophobicContact SD-CZ3 3.97Å; H94-W98 AromaticContact CD2-CD1 3.48Å; H94-W98 VanDerWaalsContact CD2-CD1 3.48Å; H94-W98 AromaticContact CD2-NE1 3.6Å; H94-W98 AromaticContact CE1-CD1 3.79Å; H94-W98 AromaticContact CE1-NE1 3.37Å; H94-W98 PolarHBondContact CE1-NE1 3.46Å; H94-W98 AromaticContact NE2-CD1 3.32Å; H94-W98 VanDerWaalsContact NE2-CD1 3.32Å; H94-W98 AromaticContact NE2-NE1 2.9Å; H94-W98 PolarHBondContact NE2-NE1 2.88Å; H94-W98 VanDerWaalsContact O-CD1 3.32Å; H94-W98 PolarHBondContact O-N 3.07Å; A95-W98 WeakPolarHBondContact O-CB 3.41Å; A95-W98 PolarHBondContact O-N 3.47Å; W98-V100 VanDerWaalsContact C-N 3.29Å; W98-V100 PolarHBondContact O-N 2.9Å; W98-I101 PolarHBondContact O-N 3.09Å; W98-I101 VanDerWaalsContact O-N 3.13Å; W98-F102 HydrophobicContact CD2-CE2 4.44Å; W98-F102 AromaticContact CE3-CD2 3.8Å; W98-F102 HydrophobicContact CE3-CD2 3.8Å; W98-F102 AromaticContact CE3-CE2 3.4Å; W98-F102 HydrophobicContact CE3-CE2 3.4Å; W98-F102 VanDerWaalsContact CE3-CE2 3.4Å; W98-F102 HydrophobicContact CE3-CZ 4.44Å; W98-F102 HydrophobicContact CZ3-CD2 4.42Å; W98-F102 AromaticContact CZ3-CE2 3.69Å; W98-F102 HydrophobicContact CZ3-CE2 3.69Å; W98-F102 HydrophobicContact CZ3-CZ 4.33Å; W98-F102 WeakPolarHBondContact O-CD2 3.41Å; W98-F102 PolarHBondContact O-N 3.4Å
99	D	77.9	Confident	70	Confident	102 Å²	102	79.1 Å²	79.1	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-39.9	176.7	-72.7	-20.5	0	0	0	111.6	A95 A96 N103	A95-D99 PolarHBondContact O-N 3.07Å; A96-D99 PolarHBondContact O-N 2.72Å; D99-N103 VanDerWaalsContact O-CB 3.31Å; D99-N103 WeakPolarHBondContact O-CB 3.32Å; D99-N103 VanDerWaalsContact O-CG 3.27Å; D99-N103 PolarHBondContact O-N 3.01Å; D99-N103 PolarHBondContact O-ND2 3.46Å
100	V	76.1	Confident	69.8	Low	78 Å²	78	77.7 Å²	77.7	47%	0.473	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-40	175.5	173	0	0	0	0	111.5	A96 A97 W98 K104	A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A96-V100 PolarHBondContact O-N 3.48Å; A96-V100 VanDerWaalsContact O-N 3.16Å; A97-V100 PolarHBondContact O-N 3.01Å; W98-V100 VanDerWaalsContact C-N 3.29Å; W98-V100 PolarHBondContact O-N 2.9Å; V100-K104 PolarHBondContact O-N 3.18Å; V100-K104 VanDerWaalsContact O-N 3.16Å
101	I	72.1	Confident	69.6	Low	19 Å²	19	79 Å²	79	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-65.6	-46.7	178.3	-69.5	164.2	0	0	0	110.7	F61 A64 V65 M68 A97 W98 K104 A105	F61-I101 HydrophobicContact CE2-CB 4.11Å; F61-I101 HydrophobicContact CE2-CG1 3.96Å; F61-I101 HydrophobicContact CE2-CG2 3.89Å; F61-I101 HydrophobicContact CZ-CG1 4.35Å; F61-I101 HydrophobicContact CZ-CG2 4.07Å; A64-I101 HydrophobicContact CB-CD1 4.28Å; A64-I101 HydrophobicContact CB-CG1 4.1Å; V65-I101 HydrophobicContact CG2-CD1 3.94Å; V65-I101 HydrophobicContact CG2-CG1 4.22Å; M68-I101 HydrophobicContact CB-CD1 4.16Å; M68-I101 HydrophobicContact CG-CD1 4.39Å; M68-I101 HydrophobicContact SD-CD1 4.21Å; A97-I101 WeakPolarHBondContact O-CG1 3.02Å; A97-I101 PolarHBondContact O-N 2.69Å; A97-I101 VanDerWaalsContact O-N 3.16Å; W98-I101 PolarHBondContact O-N 3.09Å; W98-I101 VanDerWaalsContact O-N 3.13Å; I101-K104 PolarHBondContact O-N 3.24Å; I101-A105 WeakPolarHBondContact O-CB 3.34Å; I101-A105 PolarHBondContact O-N 3.14Å
102	F	73.1	Confident	69	Low	116 Å²	116	82 Å²	82	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-68.7	-43.3	-179.2	-89.9	-75.3	0	0	0	112.5	W98 K104 A105 D106	W98-F102 HydrophobicContact CD2-CE2 4.44Å; W98-F102 AromaticContact CE3-CD2 3.8Å; W98-F102 HydrophobicContact CE3-CD2 3.8Å; W98-F102 AromaticContact CE3-CE2 3.4Å; W98-F102 HydrophobicContact CE3-CE2 3.4Å; W98-F102 VanDerWaalsContact CE3-CE2 3.4Å; W98-F102 HydrophobicContact CE3-CZ 4.44Å; W98-F102 HydrophobicContact CZ3-CD2 4.42Å; W98-F102 AromaticContact CZ3-CE2 3.69Å; W98-F102 HydrophobicContact CZ3-CE2 3.69Å; W98-F102 HydrophobicContact CZ3-CZ 4.33Å; W98-F102 WeakPolarHBondContact O-CD2 3.41Å; W98-F102 PolarHBondContact O-N 3.4Å; F102-K104 VanDerWaalsContact C-N 3.28Å; F102-K104 PolarHBondContact O-N 2.96Å; F102-A105 PolarHBondContact O-N 3.02Å; F102-A105 VanDerWaalsContact O-N 3.15Å; F102-D106 PolarHBondContact O-N 3.3Å
103	N	76.4	Confident	67.9	Low	100 Å²	100	83.9 Å²	83.9	54%	0.535	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-39.8	176	-77.1	-26	0	0	0	111.8	D99 D106 E107	D99-N103 VanDerWaalsContact O-CB 3.31Å; D99-N103 WeakPolarHBondContact O-CB 3.32Å; D99-N103 VanDerWaalsContact O-CG 3.27Å; D99-N103 PolarHBondContact O-N 3.01Å; D99-N103 PolarHBondContact O-ND2 3.46Å; N103-D106 PolarHBondContact O-N 2.87Å; N103-E107 WeakPolarHBondContact O-CG 3.42Å; N103-E107 PolarHBondContact O-N 3.19Å
104	K	69.7	Low	67	Low	34 Å²	34	89.8 Å²	89.8	15%	0.148	44%	0.439	C	S	.	.	H	α-helix	trans	-66.8	-42.5	175	-87	-71.4	165.4	-164.4	0	112.4	E57 F61 V100 I101 F102 D106 E107 Y108	E57-K104 VanDerWaalsContact CD-CE 3.41Å; E57-K104 WeakPolarHBondContact OE1-CE 3.3Å; E57-K104 IonicContact OE1-NZ 2.77Å; E57-K104 PolarHBondContact OE1-NZ 3.32Å; E57-K104 IonicContact OE2-NZ 2.66Å; E57-K104 PolarHBondContact OE2-NZ 3.5Å; F61-K104 HydrophobicContact CD2-CB 4.21Å; F61-K104 HydrophobicContact CE2-CB 4.49Å; V100-K104 PolarHBondContact O-N 3.18Å; V100-K104 VanDerWaalsContact O-N 3.16Å; I101-K104 PolarHBondContact O-N 3.24Å; F102-K104 VanDerWaalsContact C-N 3.28Å; F102-K104 PolarHBondContact O-N 2.96Å; K104-D106 VanDerWaalsContact C-N 3.3Å; K104-D106 PolarHBondContact O-N 2.64Å; K104-E107 WeakPolarHBondContact CE-OE2 3.41Å; K104-E107 IonicContact NZ-OE2 3.36Å; K104-E107 PolarHBondContact NZ-OE2 2.93Å; K104-E107 PolarHBondContact O-N 3.35Å; K104-Y108 HydrophobicContact CD-CE2 4.28Å; K104-Y108 WeakPolarHBondContact O-CD2 3.4Å; K104-Y108 PolarHBondContact O-N 3.34Å
105	A	70.1	Confident	66	Low	35 Å²	35	98.4 Å²	98.4	29%	0.289	49%	0.485	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.5	0	0	0	0	0	112.2	I101 F102 T109	I101-A105 WeakPolarHBondContact O-CB 3.34Å; I101-A105 PolarHBondContact O-N 3.14Å; F102-A105 PolarHBondContact O-N 3.02Å; F102-A105 VanDerWaalsContact O-N 3.15Å; A105-T109 WeakPolarHBondContact O-CB 3.31Å; A105-T109 PolarHBondContact O-N 2.82Å; A105-T109 PolarHBondContact O-OG1 3.39Å
106	D	71.3	Confident	65.7	Low	94 Å²	94	101.7 Å²	101.7	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-67.7	-43	175.5	-78.7	-10.5	0	0	0	111.7	F102 N103 K104 T109 Q110	F102-D106 PolarHBondContact O-N 3.3Å; N103-D106 PolarHBondContact O-N 2.87Å; K104-D106 VanDerWaalsContact C-N 3.3Å; K104-D106 PolarHBondContact O-N 2.64Å; D106-T109 PolarHBondContact O-N 3.14Å; D106-Q110 WeakPolarHBondContact O-CB 3.39Å; D106-Q110 WeakPolarHBondContact O-CG 3.49Å; D106-Q110 PolarHBondContact O-N 2.91Å
107	E	68.7	Low	65.2	Low	110 Å²	110	104.4 Å²	104.4	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-58.2	-48.2	173	-79.1	177	-169.8	0	0	111.6	N103 K104 Q110 N111	N103-E107 WeakPolarHBondContact O-CG 3.42Å; N103-E107 PolarHBondContact O-N 3.19Å; K104-E107 WeakPolarHBondContact CE-OE2 3.41Å; K104-E107 IonicContact NZ-OE2 3.36Å; K104-E107 PolarHBondContact NZ-OE2 2.93Å; K104-E107 PolarHBondContact O-N 3.35Å; E107-Q110 PolarHBondContact O-N 2.92Å; E107-N111 WeakPolarHBondContact O-CB 3.49Å; E107-N111 PolarHBondContact O-N 3.03Å
108	Y	61	Low	64.9	Low	110 Å²	110	109.3 Å²	109.3	43%	0.431	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.5	-84.7	-71.5	0	0	0	112.5	F43 K104 N111 F112	F43-Y108 HydrophobicContact CE1-CD2 4.41Å; K104-Y108 HydrophobicContact CD-CE2 4.28Å; K104-Y108 WeakPolarHBondContact O-CD2 3.4Å; K104-Y108 PolarHBondContact O-N 3.34Å; Y108-N111 PolarHBondContact O-N 2.93Å; Y108-F112 WeakPolarHBondContact O-CB 3.14Å; Y108-F112 PolarHBondContact O-N 2.98Å
109	T	62.9	Low	64.7	Low	76 Å²	76	110.5 Å²	110.5	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-41.4	179.2	-56.6	0	0	0	0	110.9	A105 D106 F112 Y113	A105-T109 WeakPolarHBondContact O-CB 3.31Å; A105-T109 PolarHBondContact O-N 2.82Å; A105-T109 PolarHBondContact O-OG1 3.39Å; D106-T109 PolarHBondContact O-N 3.14Å; T109-F112 PolarHBondContact O-N 3.37Å; T109-Y113 HydrophobicContact CG2-CD2 4.1Å; T109-Y113 HydrophobicContact CG2-CE2 4.24Å; T109-Y113 WeakPolarHBondContact O-CD2 3.3Å; T109-Y113 PolarHBondContact O-N 3.21Å; T109-Y113 VanDerWaalsContact O-N 3.14Å
110	Q	60.7	Low	63.8	Low	128 Å²	128	111.1 Å²	111.1	60%	0.598	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-43.1	175.2	-73.5	-165.7	-4.3	0	0	111.7	D106 E107 F112 Y113 W114	D106-Q110 WeakPolarHBondContact O-CB 3.39Å; D106-Q110 WeakPolarHBondContact O-CG 3.49Å; D106-Q110 PolarHBondContact O-N 2.91Å; E107-Q110 PolarHBondContact O-N 2.92Å; Q110-F112 VanDerWaalsContact C-N 3.26Å; Q110-F112 PolarHBondContact O-N 2.98Å; Q110-Y113 PolarHBondContact O-N 3.48Å; Q110-Y113 VanDerWaalsContact O-N 3.08Å; Q110-W114 PolarHBondContact O-N 3.18Å
111	N	57.7	Low	63	Low	114 Å²	114	113.3 Å²	113.3	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-62.4	-36.2	178.9	-140.8	70	0	0	0	111.6	E107 Y108 W114	E107-N111 WeakPolarHBondContact O-CB 3.49Å; E107-N111 PolarHBondContact O-N 3.03Å; Y108-N111 PolarHBondContact O-N 2.93Å; N111-W114 PolarHBondContact O-N 3.18Å
112	F	55.2	Low	62.4	Low	170 Å²	170	120 Å²	120	75%	0.746	57%	0.566	S	S	*	*	H	α-helix	trans	-71.3	-25.8	174.9	-166.7	-91.8	0	0	0	113.8	Y108 T109 Q110	Y108-F112 WeakPolarHBondContact O-CB 3.14Å; Y108-F112 PolarHBondContact O-N 2.98Å; T109-F112 PolarHBondContact O-N 3.37Å; Q110-F112 VanDerWaalsContact C-N 3.26Å; Q110-F112 PolarHBondContact O-N 2.98Å
113	Y	50.7	Low	61.5	Low	186 Å²	186	120.3 Å²	120.3	73%	0.729	57%	0.57	S	S	*	*	H	α-helix	trans	-80.9	-15.6	177.1	-102.2	-85.2	0	0	0	113.6	T109 Q110	T109-Y113 HydrophobicContact CG2-CD2 4.1Å; T109-Y113 HydrophobicContact CG2-CE2 4.24Å; T109-Y113 WeakPolarHBondContact O-CD2 3.3Å; T109-Y113 PolarHBondContact O-N 3.21Å; T109-Y113 VanDerWaalsContact O-N 3.14Å; Q110-Y113 PolarHBondContact O-N 3.48Å; Q110-Y113 VanDerWaalsContact O-N 3.08Å
114	W	50.8	Low	60.3	Low	215 Å²	215	122 Å²	122	81%	0.814	57%	0.573	S	S	*	*			trans	-102.7	-0.6	-178.8	-69.7	115.7	0	0	0	114.2	Q110 N111	Q110-W114 PolarHBondContact O-N 3.18Å; N111-W114 PolarHBondContact O-N 3.18Å
115	D	44.9	Very low	59.4	Low	192 Å²	192	130 Å²	130	100%	1.027	61%	0.612	S	S	*	*			trans	-100.5	0	165.6	-75.7	-37.9	0	0	0	111.2

Retrieved 115 of 115 residues in 212.9 ms (Link to these results)

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