A0A061HUN2_CRIGR Loading...

DUF4939 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061HUN2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 112 aa.

						>A0A061HUN2_CRIGR|A0A061HUN2
MDRRVKITRALLAWPDLSRKRNTNPIPFPELYDGDTDRLPEFIVQTAAYMLVDDKIFDCDEYKVTFMITRLTGPALEWAIQYVERDSPLLSDYRGFLAEMKQVFGWVEDEDF
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	49.5	Very low	238 Å²	238	148.5 Å²	148.5	100%	1.172	70%	0.702	S	S	*	*				0	97.3	0	-91.9	174.5	151.6	0	0	107.9
2	D	46.6	Very low	50	Low	113 Å²	113	148.8 Å²	148.8	60%	0.604	71%	0.71	S	S	*	*			trans	-65.1	131.3	-168	-74.3	-86.9	0	0	0	114.4	R4 V5	D2-R4 HydrophobicContact CB-CB 4.49Å; D2-R4 PolarHBondContact O-N 2.88Å; D2-V5 HydrophobicContact CB-CG2 4.3Å; D2-V5 PolarHBondContact O-N 2.86Å
3	R	47.2	Very low	50	Low	227 Å²	227	142.9 Å²	142.9	86%	0.857	70%	0.702	S	S	*	*	H	α-helix	trans	-50.1	-29.5	172.9	-121.4	173.8	179.6	170.1	-2.7	112.4	V5 K6	R3-V5 VanDerWaalsContact C-N 3.33Å; R3-V5 PolarHBondContact O-N 2.81Å; R3-K6 PolarHBondContact O-N 3.04Å
4	R	50.8	Low	49.5	Very low	212 Å²	212	145.6 Å²	145.6	80%	0.8	70%	0.701	S	S	*	*	H	α-helix	trans	-62	-31	177.8	-69.1	178.8	168.2	179	-4.8	114.2	D2 T8	D2-R4 HydrophobicContact CB-CB 4.49Å; D2-R4 PolarHBondContact O-N 2.88Å; R4-T8 PolarHBondContact O-OG1 3.37Å
5	V	51.6	Low	48.9	Very low	95 Å²	95	142.6 Å²	142.6	58%	0.576	70%	0.697	S	S	*	*	H	α-helix	trans	-81.3	-17.7	-176.5	-173.7	0	0	0	0	112.2	D2 R3 T8	D2-V5 HydrophobicContact CB-CG2 4.3Å; D2-V5 PolarHBondContact O-N 2.86Å; R3-V5 VanDerWaalsContact C-N 3.33Å; R3-V5 PolarHBondContact O-N 2.81Å; V5-T8 PolarHBondContact O-OG1 2.63Å
6	K	51.8	Low	49.1	Very low	162 Å²	162	142.2 Å²	142.2	70%	0.704	70%	0.699	S	S	*	*	H	α-helix	trans	-76.4	-35	179.4	-68.5	-173.3	177.4	-175.6	0	112.6	R3 A10	R3-K6 PolarHBondContact O-N 3.04Å; K6-A10 PolarHBondContact O-N 2.71Å
7	I	53.8	Low	49.1	Very low	120 Å²	120	139.6 Å²	139.6	62%	0.615	69%	0.688	S	S	*	*	H	α-helix	trans	-67.1	-39.5	-179.4	-58.4	175.2	0	0	0	110.3	R9 A10	I7-R9 PolarHBondContact O-N 3.21Å; I7-A10 PolarHBondContact O-N 3.43Å
8	T	51.6	Low	49.1	Very low	83 Å²	83	137.4 Å²	137.4	51%	0.509	69%	0.689	S	S	.	*	H	α-helix	trans	-71.4	-25.5	-177.9	30.4	0	0	0	0	114.5	R4 V5	R4-T8 PolarHBondContact O-OG1 3.37Å; V5-T8 PolarHBondContact O-OG1 2.63Å
9	R	42.9	Very low	49	Very low	200 Å²	200	140.3 Å²	140.3	76%	0.755	69%	0.691	S	S	*	*	H	α-helix	trans	-82	-27.4	174.1	-102.7	-177.3	85.6	170.8	5.4	114.1	I7 L11 L12 A13	I7-R9 PolarHBondContact O-N 3.21Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.44Å; R9-L12 PolarHBondContact O-N 2.94Å; R9-A13 PolarHBondContact O-N 2.97Å
10	A	51.6	Low	49	Very low	57 Å²	57	143.3 Å²	143.3	47%	0.471	70%	0.7	S	S	.	*	H	α-helix	trans	-65.6	-35.2	176	0	0	0	0	0	111.6	K6 I7 L12	K6-A10 PolarHBondContact O-N 2.71Å; I7-A10 PolarHBondContact O-N 3.43Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.25Å
11	L	53	Low	49.2	Very low	126 Å²	126	146.9 Å²	146.9	66%	0.66	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-24	179.2	-67	168.1	0	0	0	113.9	R9	R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.44Å
12	L	55.9	Low	49.7	Very low	152 Å²	152	142.3 Å²	142.3	80%	0.796	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-13.2	-177	-69.8	171.6	0	0	0	114.2	R9 A10	R9-L12 PolarHBondContact O-N 2.94Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.25Å
13	A	49.9	Very low	50.7	Low	73 Å²	73	142.2 Å²	142.2	60%	0.603	69%	0.69	S	S	*	*			trans	-111.5	13.4	-173.1	0	0	0	0	0	113.7	R9 P15	R9-A13 PolarHBondContact O-N 2.97Å; A13-P15 WeakPolarHBondContact O-CD 3.45Å
14	W	43.2	Very low	52.2	Low	181 Å²	181	132.3 Å²	132.3	69%	0.686	65%	0.654	S	S	*	*			trans	-70.7	113.2	172.4	-123.9	-58.1	0	0	0	108.4	D16	W14-D16 PolarHBondContact O-N 2.87Å
15	P	39.9	Very low	53.8	Low	100 Å²	100	127.4 Å²	127.4	65%	0.649	65%	0.649	S	S	*	*			trans	-62	142.7	165.6	1.3	14.8	0	0	0	106.3	A13 L17	A13-P15 WeakPolarHBondContact O-CD 3.45Å; P15-L17 PolarHBondContact O-N 3.26Å
16	D	52.9	Low	55.6	Low	136 Å²	136	125.6 Å²	125.6	73%	0.727	64%	0.636	S	S	*	*			trans	-36	85	170.3	-170.2	-29.4	0	0	0	111.5	W14 S18	W14-D16 PolarHBondContact O-N 2.87Å; D16-S18 PolarHBondContact O-N 2.99Å; D16-S18 VanDerWaalsContact O-N 3.09Å; D16-S18 VanDerWaalsContact OD1-CB 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.33Å; D16-S18 PolarHBondContact OD1-N 3.47Å; D16-S18 PolarHBondContact OD1-OG 3.06Å
17	L	47.7	Very low	57.4	Low	98 Å²	98	123.1 Å²	123.1	51%	0.513	64%	0.636	S	S	.	*			trans	-82.3	71.8	160.3	-70.4	180	0	0	0	104.5	P15 R19	P15-L17 PolarHBondContact O-N 3.26Å; L17-R19 HydrophobicContact CB-CB 4.42Å; L17-R19 HydrophobicContact CB-CG 4.2Å; L17-R19 HydrophobicContact CD2-CG 4.35Å; L17-R19 PolarHBondContact O-N 3.45Å
18	S	49.5	Very low	59.3	Low	100 Å²	100	122.8 Å²	122.8	70%	0.699	63%	0.631	S	S	*	*				-55	54.4	129.2	-65	0	0	0	0	109.5	D16 K20	D16-S18 PolarHBondContact O-N 2.99Å; D16-S18 VanDerWaalsContact O-N 3.09Å; D16-S18 VanDerWaalsContact OD1-CB 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.33Å; D16-S18 PolarHBondContact OD1-N 3.47Å; D16-S18 PolarHBondContact OD1-OG 3.06Å; S18-K20 VanDerWaalsContact C-N 3.34Å; S18-K20 PolarHBondContact O-N 3.34Å
19	R	48.1	Very low	61.4	Low	192 Å²	192	119 Å²	119	73%	0.725	61%	0.607	S	S	*	*			trans	-51.7	113.4	147.6	-94.9	177.5	170.5	-176.7	-4.1	101.5	L17 R21	L17-R19 HydrophobicContact CB-CB 4.42Å; L17-R19 HydrophobicContact CB-CG 4.2Å; L17-R19 HydrophobicContact CD2-CG 4.35Å; L17-R19 PolarHBondContact O-N 3.45Å; R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 2.85Å
20	K	49.2	Very low	63.9	Low	200 Å²	200	114.5 Å²	114.5	87%	0.87	60%	0.595	S	S	*	*			trans	-36.2	106.1	158.4	-87	177.3	172.3	178.5	0	105.1	S18 N22	S18-K20 VanDerWaalsContact C-N 3.34Å; S18-K20 PolarHBondContact O-N 3.34Å; K20-N22 PolarHBondContact O-N 3.2Å
21	R	53	Low	66.2	Low	220 Å²	220	115.8 Å²	115.8	83%	0.83	59%	0.593	S	S	*	*			trans	-55.4	106.9	163.7	-77	177.3	-178.1	162.6	-0.1	100.6	R19 T23	R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 2.85Å; R21-T23 HydrophobicContact CB-CG2 3.91Å; R21-T23 PolarHBondContact O-N 2.93Å
22	N	53.1	Low	68.3	Low	141 Å²	141	110 Å²	110	75%	0.754	56%	0.563	S	S	*	*			trans	-54.9	98.5	145.5	-91.3	-13.1	0	0	0	101	K20 N24	K20-N22 PolarHBondContact O-N 3.2Å; N22-N24 PolarHBondContact O-N 3.43Å
23	T	67.8	Low	70.3	Confident	111 Å²	111	106.2 Å²	106.2	68%	0.681	54%	0.543	S	S	*	.			trans	-69	92.8	-173.5	46.7	0	0	0	0	102.4	R21 P25	R21-T23 HydrophobicContact CB-CG2 3.91Å; R21-T23 PolarHBondContact O-N 2.93Å; T23-P25 VanDerWaalsContact O-CD 3.28Å; T23-P25 WeakPolarHBondContact O-CD 3.2Å
24	N	79.3	Confident	72.6	Confident	20 Å²	20	103.6 Å²	103.6	11%	0.107	52%	0.523	C	S	.	.			trans	-44	115	172.1	-175.9	-21.2	0	0	0	105.2	N22 I26 Y49 V52	N22-N24 PolarHBondContact O-N 3.43Å; N24-I26 PolarHBondContact O-N 2.96Å; N24-I26 VanDerWaalsContact O-N 3.12Å; N24-I26 VanDerWaalsContact OD1-CB 3.26Å; N24-I26 WeakPolarHBondContact OD1-CB 3.46Å; N24-I26 VanDerWaalsContact OD1-CG1 3.28Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.26Å; N24-I26 PolarHBondContact OD1-N 2.96Å; N24-Y49 HydrophobicContact CB-CE2 3.79Å; N24-Y49 WeakPolarHBondContact ND2-CD2 3.29Å; N24-Y49 WeakPolarHBondContact ND2-CE2 3.41Å; N24-Y49 PolarHBondContact ND2-O 3.02Å; N24-V52 VanDerWaalsContact OD1-CG1 3.28Å; N24-V52 WeakPolarHBondContact OD1-CG1 3.44Å
25	P	85.3	Confident	75.1	Confident	109 Å²	109	98 Å²	98	71%	0.708	51%	0.507	S	S	*	.	S	Bend	trans	-65	-14.5	-174.2	26.6	-36.9	0	0	0	111.3	T23 V52	T23-P25 VanDerWaalsContact O-CD 3.28Å; T23-P25 WeakPolarHBondContact O-CD 3.2Å; P25-V52 HydrophobicContact CG-CG1 4.1Å
26	I	88.4	Confident	77.8	Confident	56 Å²	56	96.5 Å²	96.5	29%	0.287	50%	0.496	S	S	.	.	S	Bend	trans	-72.7	128	172.7	-51.7	-54.6	0	0	0	108.9	N24 F28 Y49 V52	N24-I26 PolarHBondContact O-N 2.96Å; N24-I26 VanDerWaalsContact O-N 3.12Å; N24-I26 VanDerWaalsContact OD1-CB 3.26Å; N24-I26 WeakPolarHBondContact OD1-CB 3.46Å; N24-I26 VanDerWaalsContact OD1-CG1 3.28Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.26Å; N24-I26 PolarHBondContact OD1-N 2.96Å; I26-F28 PolarHBondContact O-N 3.35Å; I26-Y49 HydrophobicContact CB-CD2 4.14Å; I26-Y49 HydrophobicContact CG2-CD2 4.22Å; I26-V52 HydrophobicContact CD1-CG2 4.04Å; I26-V52 HydrophobicContact CG1-CB 4.07Å; I26-V52 HydrophobicContact CG1-CG1 4.49Å; I26-V52 HydrophobicContact CG1-CG2 3.53Å
27	P	90.1	Very high	79.8	Confident	111 Å²	111	96.9 Å²	96.9	72%	0.721	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-49.4	142.3	170.5	-26.9	35.1	0	0	0	111.2
28	F	93.1	Very high	82.1	Confident	113 Å²	113	95.9 Å²	95.9	50%	0.496	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65.9	133.3	178.8	-161.6	-115.4	0	0	0	109.9	I26 E30 Y49 F66 R70	I26-F28 PolarHBondContact O-N 3.35Å; F28-E30 PolarHBondContact O-N 3.26Å; F28-Y49 HydrophobicContact CD2-CD2 4.4Å; F28-Y49 HydrophobicContact CD2-CE1 4.31Å; F28-Y49 AromaticContact CD2-CE2 3.67Å; F28-Y49 HydrophobicContact CD2-CE2 3.67Å; F28-Y49 AromaticContact CD2-CZ 3.61Å; F28-Y49 HydrophobicContact CE2-CE1 4.19Å; F28-Y49 HydrophobicContact CE2-CE2 4.35Å; F28-Y49 AromaticContact CE2-CZ 3.85Å; F28-F66 AromaticContact CE2-CE2 3.71Å; F28-F66 HydrophobicContact CE2-CE2 3.71Å; F28-F66 HydrophobicContact CE2-CZ 4.28Å; F28-F66 AromaticContact CZ-CE2 3.92Å; F28-F66 HydrophobicContact CZ-CE2 3.92Å; F28-R70 VanDerWaalsContact CE1-CZ 3.41Å
29	P	95.4	Very high	84.3	Confident	3 Å²	3	91.1 Å²	91.1	2%	0.019	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-57.2	139.6	-176.8	-32.5	39.9	0	0	0	114.1	Q45 T46 Y49 F66 R70	P29-Q45 HydrophobicContact CB-CG 3.95Å; P29-Q45 HydrophobicContact CG-CG 4.46Å; P29-T46 HydrophobicContact CB-CG2 3.94Å; P29-T46 HydrophobicContact CG-CG2 4.13Å; P29-Y49 HydrophobicContact CG-CD2 4.4Å; P29-Y49 HydrophobicContact CG-CG 4.14Å; P29-F66 HydrophobicContact CG-CE1 4.03Å; P29-F66 HydrophobicContact CG-CZ 3.7Å; P29-R70 HydrophobicContact CB-CG 4.17Å; P29-R70 WeakPolarHBondContact O-CD 3.27Å; P29-R70 PolarHBondContact O-NH1 2.81Å
30	E	96.8	Very high	86.6	Confident	106 Å²	106	84.3 Å²	84.3	50%	0.495	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-64	161.8	170.5	-62.4	-162.1	168.4	0	0	111.6	F28 R38	F28-E30 PolarHBondContact O-N 3.26Å; E30-R38 IonicContact OE2-CZ 3.26Å; E30-R38 IonicContact OE2-NH2 2.86Å; E30-R38 PolarHBondContact OE2-NH2 2.89Å
31	L	98.2	Very high	88.8	Confident	83 Å²	83	79.2 Å²	79.2	44%	0.435	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-77.9	144.9	174.5	-61.9	178.3	0	0	0	110.6	R70 T72	L31-R70 CarbonylContact C-O 3.5Å; L31-R70 WeakPolarHBondContact CA-O 3.2Å; L31-T72 HydrophobicContact CB-CG2 4.05Å
32	Y	98.4	Very high	90.9	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.016	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-116.2	124.9	178	178.2	-113.2	0	0	0	110.7	G34 D35 R38 L39 F42 R70 L71 T72 A75 F104	Y32-G34 WeakPolarHBondContact OH-CA 3.27Å; Y32-G34 PolarHBondContact OH-O 3.24Å; Y32-D35 WeakPolarHBondContact CE2-O 3.27Å; Y32-D35 PolarHBondContact OH-O 3.23Å; Y32-R38 HydrophobicContact CE2-CB 4.36Å; Y32-L39 HydrophobicContact CE1-CD1 4.02Å; Y32-L39 HydrophobicContact CE2-CB 4.3Å; Y32-L39 HydrophobicContact CE2-CD1 4.46Å; Y32-F42 VanDerWaalsContact CB-CD2 3.4Å; Y32-F42 AromaticContact CD1-CD1 3.88Å; Y32-F42 HydrophobicContact CD1-CD1 3.88Å; Y32-F42 HydrophobicContact CD1-CE1 4.11Å; Y32-F42 HydrophobicContact CD1-CG 4.2Å; Y32-F42 HydrophobicContact CD2-CB 3.89Å; Y32-F42 HydrophobicContact CD2-CD1 4.48Å; Y32-F42 HydrophobicContact CD2-CG 4.1Å; Y32-F42 HydrophobicContact CE1-CD1 4.5Å; Y32-F42 HydrophobicContact CG-CB 4.03Å; Y32-F42 AromaticContact CG-CD1 3.88Å; Y32-F42 HydrophobicContact CG-CD1 3.88Å; Y32-F42 HydrophobicContact CG-CD2 4.07Å; Y32-F42 HydrophobicContact CG-CE1 4.35Å; Y32-F42 AromaticContact CG-CG 3.71Å; Y32-F42 HydrophobicContact CG-CG 3.71Å; Y32-R70 PolarHBondContact N-O 3.15Å; Y32-L71 HydrophobicContact CD1-CD2 3.78Å; Y32-L71 CarbonylContact O-C 3.53Å; Y32-L71 WeakPolarHBondContact O-CA 3.4Å; Y32-T72 PolarHBondContact O-N 3.21Å; Y32-A75 HydrophobicContact CD1-CB 3.9Å; Y32-A75 HydrophobicContact CE1-CB 4.08Å; Y32-F104 HydrophobicContact CE1-CD1 4.47Å; Y32-F104 HydrophobicContact CE1-CD2 4.03Å; Y32-F104 HydrophobicContact CE1-CE2 4.26Å; Y32-F104 HydrophobicContact CE1-CG 4.17Å; Y32-F104 VanDerWaalsContact OH-CB 3.3Å; Y32-F104 WeakPolarHBondContact OH-CB 3.48Å; Y32-F104 WeakPolarHBondContact OH-CG 3.25Å
33	D	98	Very high	93	Very high	73 Å²	73	63 Å²	63	39%	0.39	34%	0.344	S	S	.	.			trans	-99.6	-9.6	-175.5	62	-5.2	0	0	0	114.2	D35 T72 P74 A75	D33-D35 WeakPolarHBondContact OD1-CB 3.21Å; D33-D35 PolarHBondContact OD1-N 2.96Å; D33-D35 VanDerWaalsContact OD1-N 3.11Å; D33-T72 WeakPolarHBondContact CA-O 3.49Å; D33-T72 HydrophobicContact CB-CG2 3.72Å; D33-P74 VanDerWaalsContact O-CD 3.29Å; D33-P74 WeakPolarHBondContact O-CD 3.42Å; D33-A75 PolarHBondContact O-N 2.7Å
34	G	97.1	Very high	94.3	Very high	18 Å²	18	62.4 Å²	62.4	19%	0.186	34%	0.34	C	S	.	.	S	Bend	trans	112.7	4.4	-175.8	0	0	0	0	0	114.2	Y32 T36 F104	Y32-G34 WeakPolarHBondContact OH-CA 3.27Å; Y32-G34 PolarHBondContact OH-O 3.24Å; G34-T36 PolarHBondContact O-N 2.96Å; G34-F104 WeakPolarHBondContact O-CD1 3.48Å
35	D	96.8	Very high	95.2	Very high	65 Å²	65	63.2 Å²	63.2	35%	0.348	34%	0.343	S	S	.	.			trans	-60.4	121	174.4	-173.4	-11	0	0	0	111.8	Y32 D33 D37 R38 L39	Y32-D35 WeakPolarHBondContact CE2-O 3.27Å; Y32-D35 PolarHBondContact OH-O 3.23Å; D33-D35 WeakPolarHBondContact OD1-CB 3.21Å; D33-D35 PolarHBondContact OD1-N 2.96Å; D33-D35 VanDerWaalsContact OD1-N 3.11Å; D35-D37 VanDerWaalsContact C-N 3.3Å; D35-D37 PolarHBondContact O-N 3.21Å; D35-D37 PolarHBondContact OD1-N 3.37Å; D35-R38 HydrophobicContact CB-CB 4.17Å; D35-R38 HydrophobicContact CB-CG 4.13Å; D35-R38 PolarHBondContact O-N 3.37Å; D35-L39 PolarHBondContact O-N 3.17Å
36	T	95.4	Very high	95.7	Very high	68 Å²	68	58 Å²	58	42%	0.417	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-59	-40.9	179.4	-61	0	0	0	0	112.1	G34 R38 L39 F104	G34-T36 PolarHBondContact O-N 2.96Å; T36-R38 PolarHBondContact O-N 3.08Å; T36-L39 PolarHBondContact O-N 3.27Å; T36-F104 WeakPolarHBondContact CA-O 3.28Å; T36-F104 VanDerWaalsContact CB-O 3.27Å; T36-F104 WeakPolarHBondContact CB-O 3.18Å; T36-F104 WeakPolarHBondContact CG2-O 3.48Å; T36-F104 PolarHBondContact OG1-O 2.8Å
37	D	94.9	Very high	96.1	Very high	144 Å²	144	57.2 Å²	57.2	77%	0.77	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-69.1	-23	-175.4	-68	-26	0	0	0	111.8	D35	D35-D37 VanDerWaalsContact C-N 3.3Å; D35-D37 PolarHBondContact O-N 3.21Å; D35-D37 PolarHBondContact OD1-N 3.37Å
38	R	95.9	Very high	96.3	Very high	76 Å²	76	53.6 Å²	53.6	29%	0.287	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-98	-6.1	-180	-58.9	-167.3	69.2	-163.5	0.2	113.9	E30 Y32 D35 T36 E41 F42	E30-R38 IonicContact OE2-CZ 3.26Å; E30-R38 IonicContact OE2-NH2 2.86Å; E30-R38 PolarHBondContact OE2-NH2 2.89Å; Y32-R38 HydrophobicContact CE2-CB 4.36Å; D35-R38 HydrophobicContact CB-CB 4.17Å; D35-R38 HydrophobicContact CB-CG 4.13Å; D35-R38 PolarHBondContact O-N 3.37Å; T36-R38 PolarHBondContact O-N 3.08Å; R38-E41 IonicContact CZ-OE2 3.86Å; R38-E41 IonicContact NE-OE2 2.63Å; R38-E41 PolarHBondContact NE-OE2 3.27Å; R38-E41 IonicContact NH2-OE1 2.76Å; R38-E41 IonicContact NH2-OE2 3.84Å; R38-E41 PolarHBondContact NH2-OE2 3.02Å; R38-E41 WeakPolarHBondContact O-CB 3.41Å; R38-E41 PolarHBondContact O-N 3.38Å; R38-F42 PolarHBondContact O-N 3.45Å
39	L	96.4	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-43.9	-178.8	-179.3	59.9	0	0	0	112.9	Y32 D35 T36 E41 F42 I43 M100 F104 W106	Y32-L39 HydrophobicContact CE1-CD1 4.02Å; Y32-L39 HydrophobicContact CE2-CB 4.3Å; Y32-L39 HydrophobicContact CE2-CD1 4.46Å; D35-L39 PolarHBondContact O-N 3.17Å; T36-L39 PolarHBondContact O-N 3.27Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3Å; L39-F42 HydrophobicContact CD1-CD1 4.24Å; L39-F42 PolarHBondContact O-N 3.38Å; L39-I43 HydrophobicContact CD1-CD1 3.87Å; L39-I43 HydrophobicContact CD1-CG1 4.07Å; L39-I43 HydrophobicContact CG-CD1 3.92Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.29Å; L39-M100 HydrophobicContact CD1-CG 3.84Å; L39-M100 HydrophobicContact CD1-SD 3.83Å; L39-F104 HydrophobicContact CD2-CB 3.88Å; L39-W106 HydrophobicContact CD2-CB 3.47Å; L39-W106 VanDerWaalsContact CD2-CB 3.47Å; L39-W106 HydrophobicContact CD2-CG 4.47Å; L39-W106 HydrophobicContact CG-CB 4.33Å
40	P	95.6	Very high	96.4	Very high	50 Å²	50	50.4 Å²	50.4	33%	0.325	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.8	-24.3	35.5	0	0	0	112.6	I43 V44	P40-I43 PolarHBondContact O-N 3.26Å; P40-V44 WeakPolarHBondContact O-CB 3.42Å; P40-V44 VanDerWaalsContact O-CG2 3.31Å; P40-V44 WeakPolarHBondContact O-CG2 3.12Å; P40-V44 PolarHBondContact O-N 3.28Å
41	E	95.9	Very high	96.2	Very high	92 Å²	92	52 Å²	52	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-48.6	176.2	-176.9	-170.1	-172	0	0	110.6	R38 L39 I43 V44 Q45	R38-E41 IonicContact CZ-OE2 3.86Å; R38-E41 IonicContact NE-OE2 2.63Å; R38-E41 PolarHBondContact NE-OE2 3.27Å; R38-E41 IonicContact NH2-OE1 2.76Å; R38-E41 IonicContact NH2-OE2 3.84Å; R38-E41 PolarHBondContact NH2-OE2 3.02Å; R38-E41 WeakPolarHBondContact O-CB 3.41Å; R38-E41 PolarHBondContact O-N 3.38Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3Å; E41-I43 PolarHBondContact O-N 3.32Å; E41-V44 PolarHBondContact O-N 3.47Å; E41-Q45 VanDerWaalsContact O-CG 3.25Å; E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 3.11Å
42	F	97.4	Very high	95.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-56.9	-46	177.5	176.3	-114.2	0	0	0	113.5	Y32 R38 L39 Q45 T46 M67 R70 L71 M100	Y32-F42 VanDerWaalsContact CB-CD2 3.4Å; Y32-F42 AromaticContact CD1-CD1 3.88Å; Y32-F42 HydrophobicContact CD1-CD1 3.88Å; Y32-F42 HydrophobicContact CD1-CE1 4.11Å; Y32-F42 HydrophobicContact CD1-CG 4.2Å; Y32-F42 HydrophobicContact CD2-CB 3.89Å; Y32-F42 HydrophobicContact CD2-CD1 4.48Å; Y32-F42 HydrophobicContact CD2-CG 4.1Å; Y32-F42 HydrophobicContact CE1-CD1 4.5Å; Y32-F42 HydrophobicContact CG-CB 4.03Å; Y32-F42 AromaticContact CG-CD1 3.88Å; Y32-F42 HydrophobicContact CG-CD1 3.88Å; Y32-F42 HydrophobicContact CG-CD2 4.07Å; Y32-F42 HydrophobicContact CG-CE1 4.35Å; Y32-F42 AromaticContact CG-CG 3.71Å; Y32-F42 HydrophobicContact CG-CG 3.71Å; R38-F42 PolarHBondContact O-N 3.45Å; L39-F42 HydrophobicContact CD1-CD1 4.24Å; L39-F42 PolarHBondContact O-N 3.38Å; F42-Q45 VanDerWaalsContact O-CG 3.27Å; F42-Q45 WeakPolarHBondContact O-CG 3.3Å; F42-T46 HydrophobicContact CD2-CG2 4Å; F42-T46 HydrophobicContact CE2-CG2 3.59Å; F42-T46 HydrophobicContact CZ-CG2 4.01Å; F42-T46 WeakPolarHBondContact O-CB 3.28Å; F42-T46 WeakPolarHBondContact O-CG2 3.41Å; F42-T46 PolarHBondContact O-N 2.98Å; F42-T46 VanDerWaalsContact O-N 3.15Å; F42-T46 PolarHBondContact O-OG1 3.39Å; F42-M67 HydrophobicContact CD1-CE 4.19Å; F42-M67 HydrophobicContact CE1-CE 3.42Å; F42-M67 VanDerWaalsContact CE1-CE 3.42Å; F42-M67 HydrophobicContact CZ-CB 4.4Å; F42-M67 HydrophobicContact CZ-CE 4.01Å; F42-R70 HydrophobicContact CE2-CB 3.64Å; F42-R70 HydrophobicContact CZ-CB 4.17Å; F42-L71 HydrophobicContact CE1-CD2 3.88Å; F42-L71 HydrophobicContact CE2-CD2 4.48Å; F42-L71 HydrophobicContact CZ-CD2 3.65Å; F42-M100 HydrophobicContact CD1-SD 3.99Å; F42-M100 HydrophobicContact CE1-CE 3.78Å; F42-M100 HydrophobicContact CE1-SD 3.68Å
43	I	96.8	Very high	95.2	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-45.6	179.2	-68.5	170.7	0	0	0	110.4	L39 P40 E41 T46 A47 L97 K101 W106	L39-I43 HydrophobicContact CD1-CD1 3.87Å; L39-I43 HydrophobicContact CD1-CG1 4.07Å; L39-I43 HydrophobicContact CG-CD1 3.92Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.29Å; P40-I43 PolarHBondContact O-N 3.26Å; E41-I43 PolarHBondContact O-N 3.32Å; I43-T46 PolarHBondContact O-OG1 3.08Å; I43-A47 VanDerWaalsContact O-CB 3.22Å; I43-A47 WeakPolarHBondContact O-CB 3.26Å; I43-A47 PolarHBondContact O-N 3.19Å; I43-L97 HydrophobicContact CD1-CD2 4.25Å; I43-L97 HydrophobicContact CG1-CD2 4.04Å; I43-L97 HydrophobicContact CG2-CD2 4.27Å; I43-K101 HydrophobicContact CD1-CG 4.28Å; I43-W106 HydrophobicContact CD1-CE3 3.51Å; I43-W106 HydrophobicContact CD1-CZ3 3.56Å
44	V	96.3	Very high	94.5	Very high	100 Å²	100	54.1 Å²	54.1	61%	0.606	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-47.2	-179.1	169.7	0	0	0	0	111.4	P40 E41 T46 A47 A48	P40-V44 WeakPolarHBondContact O-CB 3.42Å; P40-V44 VanDerWaalsContact O-CG2 3.31Å; P40-V44 WeakPolarHBondContact O-CG2 3.12Å; P40-V44 PolarHBondContact O-N 3.28Å; E41-V44 PolarHBondContact O-N 3.47Å; V44-T46 PolarHBondContact O-N 2.97Å; V44-A47 PolarHBondContact O-N 3.15Å; V44-A48 VanDerWaalsContact O-CB 3.24Å; V44-A48 WeakPolarHBondContact O-CB 3.38Å; V44-A48 PolarHBondContact O-N 3.43Å
45	Q	96.4	Very high	94	Very high	37 Å²	37	61.6 Å²	61.6	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-39.8	-177.8	66.2	-179.4	-53.1	0	0	112.4	P29 E41 F42 Y49	P29-Q45 HydrophobicContact CB-CG 3.95Å; P29-Q45 HydrophobicContact CG-CG 4.46Å; E41-Q45 VanDerWaalsContact O-CG 3.25Å; E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 3.11Å; F42-Q45 VanDerWaalsContact O-CG 3.27Å; F42-Q45 WeakPolarHBondContact O-CG 3.3Å; Q45-Y49 WeakPolarHBondContact O-CB 3.45Å; Q45-Y49 PolarHBondContact O-N 3.39Å
46	T	96.9	Very high	93.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.4	-42.7	179	53.4	0	0	0	0	111.1	P29 F42 I43 V44 Y49 M50 F66 R70	P29-T46 HydrophobicContact CB-CG2 3.94Å; P29-T46 HydrophobicContact CG-CG2 4.13Å; F42-T46 HydrophobicContact CD2-CG2 4Å; F42-T46 HydrophobicContact CE2-CG2 3.59Å; F42-T46 HydrophobicContact CZ-CG2 4.01Å; F42-T46 WeakPolarHBondContact O-CB 3.28Å; F42-T46 WeakPolarHBondContact O-CG2 3.41Å; F42-T46 PolarHBondContact O-N 2.98Å; F42-T46 VanDerWaalsContact O-N 3.15Å; F42-T46 PolarHBondContact O-OG1 3.39Å; I43-T46 PolarHBondContact O-OG1 3.08Å; V44-T46 PolarHBondContact O-N 2.97Å; T46-Y49 PolarHBondContact O-N 3.12Å; T46-M50 VanDerWaalsContact O-CG 3.23Å; T46-M50 WeakPolarHBondContact O-CG 3.43Å; T46-M50 PolarHBondContact O-N 3.41Å; T46-F66 HydrophobicContact CG2-CE1 4.05Å; T46-R70 HydrophobicContact CG2-CG 4.45Å
47	A	96	Very high	93.4	Very high	39 Å²	39	60.2 Å²	60.2	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174.5	0	0	0	0	0	112.2	I43 V44 Y49 M50 L51	I43-A47 VanDerWaalsContact O-CB 3.22Å; I43-A47 WeakPolarHBondContact O-CB 3.26Å; I43-A47 PolarHBondContact O-N 3.19Å; V44-A47 PolarHBondContact O-N 3.15Å; A47-Y49 PolarHBondContact O-N 3.42Å; A47-M50 PolarHBondContact O-N 2.89Å; A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 2.93Å
48	A	94.9	Very high	93.3	Very high	35 Å²	35	58.6 Å²	58.6	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-41.9	177.3	0	0	0	0	0	112	V44 L51	V44-A48 VanDerWaalsContact O-CB 3.24Å; V44-A48 WeakPolarHBondContact O-CB 3.38Å; V44-A48 PolarHBondContact O-N 3.43Å; A48-L51 PolarHBondContact O-N 3.19Å
49	Y	95	Very high	93.3	Very high	39 Å²	39	57 Å²	57	15%	0.153	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-45.2	175.9	-169.8	-89.3	0	0	0	111.4	N24 I26 F28 P29 Q45 T46 A47 L51 V52 F57 F66	N24-Y49 HydrophobicContact CB-CE2 3.79Å; N24-Y49 WeakPolarHBondContact ND2-CD2 3.29Å; N24-Y49 WeakPolarHBondContact ND2-CE2 3.41Å; N24-Y49 PolarHBondContact ND2-O 3.02Å; I26-Y49 HydrophobicContact CB-CD2 4.14Å; I26-Y49 HydrophobicContact CG2-CD2 4.22Å; F28-Y49 HydrophobicContact CD2-CD2 4.4Å; F28-Y49 HydrophobicContact CD2-CE1 4.31Å; F28-Y49 AromaticContact CD2-CE2 3.67Å; F28-Y49 HydrophobicContact CD2-CE2 3.67Å; F28-Y49 AromaticContact CD2-CZ 3.61Å; F28-Y49 HydrophobicContact CE2-CE1 4.19Å; F28-Y49 HydrophobicContact CE2-CE2 4.35Å; F28-Y49 AromaticContact CE2-CZ 3.85Å; P29-Y49 HydrophobicContact CG-CD2 4.4Å; P29-Y49 HydrophobicContact CG-CG 4.14Å; Q45-Y49 WeakPolarHBondContact O-CB 3.45Å; Q45-Y49 PolarHBondContact O-N 3.39Å; T46-Y49 PolarHBondContact O-N 3.12Å; A47-Y49 PolarHBondContact O-N 3.42Å; Y49-L51 PolarHBondContact O-N 3.31Å; Y49-V52 PolarHBondContact O-N 3.03Å; Y49-F57 AromaticContact CD1-CE2 3.93Å; Y49-F57 HydrophobicContact CD1-CE2 3.93Å; Y49-F57 HydrophobicContact CD1-CZ 4.05Å; Y49-F57 HydrophobicContact CE1-CE2 4.06Å; Y49-F57 HydrophobicContact CE1-CZ 4.13Å; Y49-F66 AromaticContact CD1-CE1 3.99Å; Y49-F66 HydrophobicContact CD1-CE1 3.99Å; Y49-F66 AromaticContact CD1-CE2 3.88Å; Y49-F66 HydrophobicContact CD1-CE2 3.88Å; Y49-F66 AromaticContact CD1-CZ 3.34Å; Y49-F66 HydrophobicContact CD1-CZ 3.34Å; Y49-F66 AromaticContact CE1-CE2 3.92Å; Y49-F66 HydrophobicContact CE1-CE2 3.92Å; Y49-F66 AromaticContact CE1-CZ 3.85Å; Y49-F66 HydrophobicContact CE1-CZ 3.85Å; Y49-F66 HydrophobicContact CG-CE1 4.45Å; Y49-F66 AromaticContact CG-CZ 3.87Å; Y49-F66 HydrophobicContact CG-CZ 3.87Å
50	M	94.7	Very high	93.4	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-38.4	179.6	-66.7	172.5	-156.2	0	0	112.9	T46 A47 V52 D53 D54 F57 K63 F66 M67 Y93	T46-M50 VanDerWaalsContact O-CG 3.23Å; T46-M50 WeakPolarHBondContact O-CG 3.43Å; T46-M50 PolarHBondContact O-N 3.41Å; A47-M50 PolarHBondContact O-N 2.89Å; M50-V52 PolarHBondContact O-N 3.26Å; M50-D53 CarbonylContact O-C 3.28Å; M50-D53 PolarHBondContact O-N 3.44Å; M50-D54 PolarHBondContact O-N 3.26Å; M50-F57 HydrophobicContact CB-CB 4.01Å; M50-F57 HydrophobicContact CB-CD1 4.27Å; M50-F57 HydrophobicContact CB-CD2 3.76Å; M50-F57 HydrophobicContact CB-CE2 4.26Å; M50-F57 HydrophobicContact CB-CG 3.74Å; M50-F57 HydrophobicContact CG-CB 4.27Å; M50-F57 HydrophobicContact CG-CD1 3.65Å; M50-F57 HydrophobicContact CG-CD2 3.89Å; M50-F57 HydrophobicContact CG-CE1 3.86Å; M50-F57 HydrophobicContact CG-CE2 4.07Å; M50-F57 HydrophobicContact CG-CG 3.65Å; M50-F57 HydrophobicContact CG-CZ 4.04Å; M50-F57 HydrophobicContact SD-CD1 4.4Å; M50-K63 HydrophobicContact CE-CB 4.08Å; M50-K63 WeakPolarHBondContact CE-O 2.84Å; M50-K63 HydrophobicContact SD-CB 3.65Å; M50-K63 HydrophobicContact SD-CD 4.22Å; M50-K63 HydrophobicContact SD-CG 3.65Å; M50-F66 HydrophobicContact CE-CD1 3.48Å; M50-F66 VanDerWaalsContact CE-CD1 3.48Å; M50-F66 HydrophobicContact CE-CE1 4.14Å; M50-F66 HydrophobicContact CE-CG 4.45Å; M50-F66 HydrophobicContact CG-CD1 4.18Å; M50-F66 HydrophobicContact CG-CE1 4.37Å; M50-M67 HydrophobicContact CE-CG 3.63Å; M50-M67 HydrophobicContact CE-SD 4.42Å; M50-Y93 HydrophobicContact CE-CE2 4.04Å; M50-Y93 HydrophobicContact SD-CE2 4.15Å
51	L	92.9	Very high	93.5	Very high	138 Å²	138	61 Å²	61	72%	0.723	32%	0.324	S	S	*	.	H	α-helix	trans	-59.4	-34.9	-178.7	-178.5	63.9	0	0	0	112.5	A47 A48 Y49	A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 3.19Å; Y49-L51 PolarHBondContact O-N 3.31Å
52	V	90.1	Very high	93.5	Very high	68 Å²	68	62.9 Å²	62.9	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-80.8	-21.8	-177.6	176.8	0	0	0	0	112.8	N24 P25 I26 Y49 M50	N24-V52 VanDerWaalsContact OD1-CG1 3.28Å; N24-V52 WeakPolarHBondContact OD1-CG1 3.44Å; P25-V52 HydrophobicContact CG-CG1 4.1Å; I26-V52 HydrophobicContact CD1-CG2 4.04Å; I26-V52 HydrophobicContact CG1-CB 4.07Å; I26-V52 HydrophobicContact CG1-CG1 4.49Å; I26-V52 HydrophobicContact CG1-CG2 3.53Å; Y49-V52 PolarHBondContact O-N 3.03Å; M50-V52 PolarHBondContact O-N 3.26Å
53	D	86.6	Confident	93.6	Very high	32 Å²	32	65.1 Å²	65.1	17%	0.171	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	49.2	177.3	-146.6	-21	0	0	0	111.1	M50 K55 I56 F57	M50-D53 CarbonylContact O-C 3.28Å; M50-D53 PolarHBondContact O-N 3.44Å; D53-K55 PolarHBondContact O-N 3.2Å; D53-K55 VanDerWaalsContact O-N 3.08Å; D53-I56 HydrophobicContact CB-CB 4.39Å; D53-I56 VanDerWaalsContact CG-CD1 3.45Å; D53-I56 WeakPolarHBondContact O-CA 3.28Å; D53-I56 PolarHBondContact O-N 2.75Å; D53-I56 WeakPolarHBondContact OD1-CD1 3.39Å; D53-I56 VanDerWaalsContact OD1-CG1 3.29Å; D53-I56 WeakPolarHBondContact OD1-CG1 3.34Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.44Å; D53-F57 HydrophobicContact CB-CD2 4.08Å; D53-F57 HydrophobicContact CB-CE2 4.07Å; D53-F57 VanDerWaalsContact O-CD2 3.23Å; D53-F57 WeakPolarHBondContact O-CD2 3.36Å; D53-F57 PolarHBondContact O-N 3Å
54	D	82.6	Confident	93.6	Very high	105 Å²	105	64.3 Å²	64.3	56%	0.561	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30	-175.5	67.8	-18.3	0	0	0	114	M50 F57 D58	M50-D54 PolarHBondContact O-N 3.26Å; D54-F57 CarbonylContact O-C 3.34Å; D54-F57 VanDerWaalsContact O-C 3.28Å; D54-F57 PolarHBondContact O-N 3.06Å; D54-D58 PolarHBondContact O-N 3.02Å
55	K	86.3	Confident	93.7	Very high	175 Å²	175	62.9 Å²	62.9	76%	0.761	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31	174	-68.6	-179.3	-176.8	175.2	0	113.6	D53	D53-K55 PolarHBondContact O-N 3.2Å; D53-K55 VanDerWaalsContact O-N 3.08Å
56	I	87.4	Confident	93.7	Very high	86 Å²	86	62 Å²	62	44%	0.441	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-34.5	173.6	-67	-175.3	0	0	0	110	D53 D58 Y62	D53-I56 HydrophobicContact CB-CB 4.39Å; D53-I56 VanDerWaalsContact CG-CD1 3.45Å; D53-I56 WeakPolarHBondContact O-CA 3.28Å; D53-I56 PolarHBondContact O-N 2.75Å; D53-I56 WeakPolarHBondContact OD1-CD1 3.39Å; D53-I56 VanDerWaalsContact OD1-CG1 3.29Å; D53-I56 WeakPolarHBondContact OD1-CG1 3.34Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.44Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 3.27Å; I56-Y62 VanDerWaalsContact O-CD2 3.22Å; I56-Y62 WeakPolarHBondContact O-CD2 3.37Å
57	F	92.9	Very high	93.8	Very high	18 Å²	18	62 Å²	62	8%	0.079	32%	0.321	C	S	.	.	S	Bend	trans	-100.6	44	-178.2	-60.6	-72.7	0	0	0	112.3	Y49 M50 D53 D54 C59 K63 F66	Y49-F57 AromaticContact CD1-CE2 3.93Å; Y49-F57 HydrophobicContact CD1-CE2 3.93Å; Y49-F57 HydrophobicContact CD1-CZ 4.05Å; Y49-F57 HydrophobicContact CE1-CE2 4.06Å; Y49-F57 HydrophobicContact CE1-CZ 4.13Å; M50-F57 HydrophobicContact CB-CB 4.01Å; M50-F57 HydrophobicContact CB-CD1 4.27Å; M50-F57 HydrophobicContact CB-CD2 3.76Å; M50-F57 HydrophobicContact CB-CE2 4.26Å; M50-F57 HydrophobicContact CB-CG 3.74Å; M50-F57 HydrophobicContact CG-CB 4.27Å; M50-F57 HydrophobicContact CG-CD1 3.65Å; M50-F57 HydrophobicContact CG-CD2 3.89Å; M50-F57 HydrophobicContact CG-CE1 3.86Å; M50-F57 HydrophobicContact CG-CE2 4.07Å; M50-F57 HydrophobicContact CG-CG 3.65Å; M50-F57 HydrophobicContact CG-CZ 4.04Å; M50-F57 HydrophobicContact SD-CD1 4.4Å; D53-F57 HydrophobicContact CB-CD2 4.08Å; D53-F57 HydrophobicContact CB-CE2 4.07Å; D53-F57 VanDerWaalsContact O-CD2 3.23Å; D53-F57 WeakPolarHBondContact O-CD2 3.36Å; D53-F57 PolarHBondContact O-N 3Å; D54-F57 CarbonylContact O-C 3.34Å; D54-F57 VanDerWaalsContact O-C 3.28Å; D54-F57 PolarHBondContact O-N 3.06Å; F57-C59 VanDerWaalsContact C-N 3.34Å; F57-K63 HydrophobicContact CB-CG 4.09Å; F57-K63 HydrophobicContact CD1-CG 4.32Å; F57-K63 WeakPolarHBondContact O-CE 3.31Å; F57-F66 HydrophobicContact CE1-CB 3.58Å; F57-F66 HydrophobicContact CE1-CD1 4.13Å; F57-F66 HydrophobicContact CE1-CD2 4.09Å; F57-F66 AromaticContact CE1-CG 3.67Å; F57-F66 HydrophobicContact CE1-CG 3.67Å; F57-F66 HydrophobicContact CZ-CB 4.28Å; F57-F66 HydrophobicContact CZ-CD1 4.25Å; F57-F66 AromaticContact CZ-CD2 3.92Å; F57-F66 HydrophobicContact CZ-CD2 3.92Å; F57-F66 HydrophobicContact CZ-CE2 4.25Å; F57-F66 AromaticContact CZ-CG 3.89Å; F57-F66 HydrophobicContact CZ-CG 3.89Å
58	D	93.4	Very high	93.9	Very high	110 Å²	110	61.6 Å²	61.6	59%	0.588	31%	0.314	S	S	*	.			trans	-78.9	-15.5	-174.8	68	-14.2	0	0	0	113.8	D54 I56 Y62	D54-D58 PolarHBondContact O-N 3.02Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 3.27Å; D58-Y62 WeakPolarHBondContact OD1-CD2 3.38Å
59	C	95.2	Very high	94	Very high	44 Å²	44	63.3 Å²	63.3	30%	0.297	32%	0.321	S	S	.	.	S	Bend	trans	-133.7	156.7	175.3	69	0	0	0	0	112.1	F57 E61 Y62 K63	F57-C59 VanDerWaalsContact C-N 3.34Å; C59-E61 VanDerWaalsContact C-N 3.31Å; C59-E61 PolarHBondContact O-N 2.82Å; C59-Y62 PolarHBondContact O-N 3.41Å; C59-Y62 WeakPolarHBondContact SG-CD2 3.33Å; C59-K63 PolarHBondContact O-N 3.24Å
60	D	97.9	Very high	94.2	Very high	50 Å²	50	63.8 Å²	63.8	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-32.4	-175.4	-78.2	2.9	0	0	0	112.4	Y62 K63 V64 S91 Y93	D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 2.97Å; D60-K63 WeakPolarHBondContact O-CB 3.41Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 VanDerWaalsContact O-N 3.12Å; D60-K63 IonicContact OD1-NZ 3.23Å; D60-K63 PolarHBondContact OD1-NZ 3.26Å; D60-V64 WeakPolarHBondContact O-CG2 3.33Å; D60-V64 PolarHBondContact O-N 3.21Å; D60-S91 WeakPolarHBondContact CB-O 3.4Å; D60-Y93 VanDerWaalsContact CG-CB 3.44Å; D60-Y93 PolarHBondContact OD2-N 3.26Å
61	E	97.4	Very high	94.3	Very high	83 Å²	83	63.7 Å²	63.7	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-54.9	-42.9	173.9	-155.3	83.8	-164.7	0	0	112.2	C59 T65 L90 S91	C59-E61 VanDerWaalsContact C-N 3.31Å; C59-E61 PolarHBondContact O-N 2.82Å; E61-T65 WeakPolarHBondContact O-CB 3.05Å; E61-T65 PolarHBondContact O-N 3.42Å; E61-T65 PolarHBondContact O-OG1 3.12Å; E61-L90 WeakPolarHBondContact CA-O 3.23Å; E61-S91 WeakPolarHBondContact OE2-CA 3.36Å; E61-S91 WeakPolarHBondContact OE2-CB 3.37Å
62	Y	96.9	Very high	94.6	Very high	131 Å²	131	59.8 Å²	59.8	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-71.7	-35.8	179.6	-66.7	-19.7	0	0	0	112.1	I56 D58 C59 D60 F66	I56-Y62 VanDerWaalsContact O-CD2 3.22Å; I56-Y62 WeakPolarHBondContact O-CD2 3.37Å; D58-Y62 WeakPolarHBondContact OD1-CD2 3.38Å; C59-Y62 PolarHBondContact O-N 3.41Å; C59-Y62 WeakPolarHBondContact SG-CD2 3.33Å; D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 2.97Å; Y62-F66 VanDerWaalsContact O-CB 3.29Å; Y62-F66 WeakPolarHBondContact O-CB 3.48Å; Y62-F66 PolarHBondContact O-N 3.11Å
63	K	98.1	Very high	95	Very high	49 Å²	49	58 Å²	58	21%	0.213	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-49.2	174.4	-60.8	176.4	-165.8	155.7	0	110.9	M50 F57 C59 D60 F66 M67 Y93	M50-K63 HydrophobicContact CE-CB 4.08Å; M50-K63 WeakPolarHBondContact CE-O 2.84Å; M50-K63 HydrophobicContact SD-CB 3.65Å; M50-K63 HydrophobicContact SD-CD 4.22Å; M50-K63 HydrophobicContact SD-CG 3.65Å; F57-K63 HydrophobicContact CB-CG 4.09Å; F57-K63 HydrophobicContact CD1-CG 4.32Å; F57-K63 WeakPolarHBondContact O-CE 3.31Å; C59-K63 PolarHBondContact O-N 3.24Å; D60-K63 WeakPolarHBondContact O-CB 3.41Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 VanDerWaalsContact O-N 3.12Å; D60-K63 IonicContact OD1-NZ 3.23Å; D60-K63 PolarHBondContact OD1-NZ 3.26Å; K63-F66 PolarHBondContact O-N 3.1Å; K63-M67 WeakPolarHBondContact O-CG 3.42Å; K63-M67 PolarHBondContact O-N 3.4Å; K63-Y93 HydrophobicContact CB-CD2 3.46Å; K63-Y93 VanDerWaalsContact CB-CD2 3.46Å; K63-Y93 HydrophobicContact CB-CE2 3.86Å; K63-Y93 HydrophobicContact CB-CG 4Å; K63-Y93 HydrophobicContact CD-CD1 4.05Å; K63-Y93 HydrophobicContact CD-CD2 4.1Å; K63-Y93 HydrophobicContact CD-CE1 4.42Å; K63-Y93 HydrophobicContact CD-CE2 4.46Å; K63-Y93 HydrophobicContact CD-CG 3.87Å; K63-Y93 HydrophobicContact CG-CD2 4.43Å
64	V	98.2	Very high	95.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-45.8	179	176.8	0	0	0	0	110.7	D60 F66 M67 I68 L90 Y93 F96	D60-V64 WeakPolarHBondContact O-CG2 3.33Å; D60-V64 PolarHBondContact O-N 3.21Å; V64-F66 VanDerWaalsContact C-N 3.29Å; V64-F66 PolarHBondContact O-N 2.86Å; V64-M67 PolarHBondContact O-N 2.97Å; V64-I68 HydrophobicContact CG1-CD1 3.88Å; V64-I68 HydrophobicContact CG1-CG1 4.39Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 2.72Å; V64-L90 WeakPolarHBondContact CB-O 3.29Å; V64-L90 HydrophobicContact CG1-CD2 4.46Å; V64-Y93 HydrophobicContact CG2-CD2 4.29Å; V64-F96 HydrophobicContact CG1-CB 4.4Å; V64-F96 HydrophobicContact CG1-CD1 4.19Å; V64-F96 HydrophobicContact CG1-CD2 3.7Å; V64-F96 HydrophobicContact CG1-CE1 4.4Å; V64-F96 HydrophobicContact CG1-CE2 3.94Å; V64-F96 HydrophobicContact CG1-CG 3.83Å; V64-F96 HydrophobicContact CG1-CZ 4.28Å; V64-F96 HydrophobicContact CG2-CB 3.94Å; V64-F96 HydrophobicContact CG2-CG 4.18Å
65	T	97.5	Very high	96.2	Very high	70 Å²	70	55.5 Å²	55.5	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-55.6	-45.9	175.5	-63.2	0	0	0	0	111.2	E61 I68 T69	E61-T65 WeakPolarHBondContact O-CB 3.05Å; E61-T65 PolarHBondContact O-N 3.42Å; E61-T65 PolarHBondContact O-OG1 3.12Å; T65-I68 PolarHBondContact O-N 2.87Å; T65-T69 HydrophobicContact CG2-CG2 4.46Å; T65-T69 WeakPolarHBondContact O-CG2 3.49Å; T65-T69 PolarHBondContact O-N 3.29Å
66	F	97.4	Very high	96.8	Very high	19 Å²	19	50.2 Å²	50.2	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-44.9	178.1	174.2	-101.6	0	0	0	112.6	F28 P29 T46 Y49 M50 F57 Y62 K63 V64 I68 T69 R70	F28-F66 AromaticContact CE2-CE2 3.71Å; F28-F66 HydrophobicContact CE2-CE2 3.71Å; F28-F66 HydrophobicContact CE2-CZ 4.28Å; F28-F66 AromaticContact CZ-CE2 3.92Å; F28-F66 HydrophobicContact CZ-CE2 3.92Å; P29-F66 HydrophobicContact CG-CE1 4.03Å; P29-F66 HydrophobicContact CG-CZ 3.7Å; T46-F66 HydrophobicContact CG2-CE1 4.05Å; Y49-F66 AromaticContact CD1-CE1 3.99Å; Y49-F66 HydrophobicContact CD1-CE1 3.99Å; Y49-F66 AromaticContact CD1-CE2 3.88Å; Y49-F66 HydrophobicContact CD1-CE2 3.88Å; Y49-F66 AromaticContact CD1-CZ 3.34Å; Y49-F66 HydrophobicContact CD1-CZ 3.34Å; Y49-F66 AromaticContact CE1-CE2 3.92Å; Y49-F66 HydrophobicContact CE1-CE2 3.92Å; Y49-F66 AromaticContact CE1-CZ 3.85Å; Y49-F66 HydrophobicContact CE1-CZ 3.85Å; Y49-F66 HydrophobicContact CG-CE1 4.45Å; Y49-F66 AromaticContact CG-CZ 3.87Å; Y49-F66 HydrophobicContact CG-CZ 3.87Å; M50-F66 HydrophobicContact CE-CD1 3.48Å; M50-F66 VanDerWaalsContact CE-CD1 3.48Å; M50-F66 HydrophobicContact CE-CE1 4.14Å; M50-F66 HydrophobicContact CE-CG 4.45Å; M50-F66 HydrophobicContact CG-CD1 4.18Å; M50-F66 HydrophobicContact CG-CE1 4.37Å; F57-F66 HydrophobicContact CE1-CB 3.58Å; F57-F66 HydrophobicContact CE1-CD1 4.13Å; F57-F66 HydrophobicContact CE1-CD2 4.09Å; F57-F66 AromaticContact CE1-CG 3.67Å; F57-F66 HydrophobicContact CE1-CG 3.67Å; F57-F66 HydrophobicContact CZ-CB 4.28Å; F57-F66 HydrophobicContact CZ-CD1 4.25Å; F57-F66 AromaticContact CZ-CD2 3.92Å; F57-F66 HydrophobicContact CZ-CD2 3.92Å; F57-F66 HydrophobicContact CZ-CE2 4.25Å; F57-F66 AromaticContact CZ-CG 3.89Å; F57-F66 HydrophobicContact CZ-CG 3.89Å; Y62-F66 VanDerWaalsContact O-CB 3.29Å; Y62-F66 WeakPolarHBondContact O-CB 3.48Å; Y62-F66 PolarHBondContact O-N 3.11Å; K63-F66 PolarHBondContact O-N 3.1Å; V64-F66 VanDerWaalsContact C-N 3.29Å; V64-F66 PolarHBondContact O-N 2.86Å; F66-I68 VanDerWaalsContact C-N 3.32Å; F66-I68 PolarHBondContact O-N 3.41Å; F66-T69 PolarHBondContact O-N 2.88Å; F66-T69 VanDerWaalsContact O-N 3.15Å; F66-T69 PolarHBondContact O-OG1 3.33Å; F66-R70 HydrophobicContact CZ-CG 4.5Å; F66-R70 PolarHBondContact O-N 3.01Å
67	M	98.1	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-47.2	173.6	-69.5	-169.7	73.8	0	0	111.2	F42 M50 K63 V64 T69 R70 L71 Y93 F96 L97 M100	F42-M67 HydrophobicContact CD1-CE 4.19Å; F42-M67 HydrophobicContact CE1-CE 3.42Å; F42-M67 VanDerWaalsContact CE1-CE 3.42Å; F42-M67 HydrophobicContact CZ-CB 4.4Å; F42-M67 HydrophobicContact CZ-CE 4.01Å; M50-M67 HydrophobicContact CE-CG 3.63Å; M50-M67 HydrophobicContact CE-SD 4.42Å; K63-M67 WeakPolarHBondContact O-CG 3.42Å; K63-M67 PolarHBondContact O-N 3.4Å; V64-M67 PolarHBondContact O-N 2.97Å; M67-T69 VanDerWaalsContact C-N 3.28Å; M67-T69 PolarHBondContact O-N 3.15Å; M67-R70 WeakPolarHBondContact O-CA 3.22Å; M67-R70 WeakPolarHBondContact O-CB 3.45Å; M67-R70 PolarHBondContact O-N 3.3Å; M67-L71 WeakPolarHBondContact O-CG 3.43Å; M67-L71 PolarHBondContact O-N 2.98Å; M67-Y93 HydrophobicContact CG-CE2 4.41Å; M67-Y93 HydrophobicContact SD-CD2 4.2Å; M67-Y93 HydrophobicContact SD-CE2 3.5Å; M67-Y93 VanDerWaalsContact SD-CE2 3.5Å; M67-F96 HydrophobicContact CB-CE1 4.22Å; M67-F96 HydrophobicContact SD-CD1 4.24Å; M67-F96 HydrophobicContact SD-CE1 4.39Å; M67-L97 HydrophobicContact CE-CD2 3.65Å; M67-L97 HydrophobicContact SD-CD2 3.9Å; M67-L97 HydrophobicContact SD-CG 4.49Å; M67-M100 HydrophobicContact CE-CE 4.14Å; M67-M100 HydrophobicContact CE-SD 3.7Å
68	I	98.1	Very high	97.6	Very high	31 Å²	31	53 Å²	53	16%	0.159	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-40.7	177.5	-67.3	169.5	0	0	0	111.2	V64 T65 F66 R70 L71 A79 V83 L90 F96	V64-I68 HydrophobicContact CG1-CD1 3.88Å; V64-I68 HydrophobicContact CG1-CG1 4.39Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 2.72Å; T65-I68 PolarHBondContact O-N 2.87Å; F66-I68 VanDerWaalsContact C-N 3.32Å; F66-I68 PolarHBondContact O-N 3.41Å; I68-R70 PolarHBondContact O-N 3.46Å; I68-R70 VanDerWaalsContact O-N 3.09Å; I68-L71 HydrophobicContact CG1-CD1 4.47Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-A79 HydrophobicContact CG1-CB 4.26Å; I68-A79 HydrophobicContact CG2-CB 4.42Å; I68-V83 HydrophobicContact CD1-CG2 4.43Å; I68-L90 HydrophobicContact CD1-CD2 3.76Å; I68-F96 HydrophobicContact CD1-CE2 4.39Å; I68-F96 HydrophobicContact CD1-CZ 4.44Å; I68-F96 HydrophobicContact CG1-CE2 4.34Å; I68-F96 HydrophobicContact CG1-CZ 3.9Å
69	T	97.4	Very high	97.8	Very high	71 Å²	71	47.8 Å²	47.8	44%	0.436	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-14.6	177.5	75.7	0	0	0	0	113.9	T65 F66 M67	T65-T69 HydrophobicContact CG2-CG2 4.46Å; T65-T69 WeakPolarHBondContact O-CG2 3.49Å; T65-T69 PolarHBondContact O-N 3.29Å; F66-T69 PolarHBondContact O-N 2.88Å; F66-T69 VanDerWaalsContact O-N 3.15Å; F66-T69 PolarHBondContact O-OG1 3.33Å; M67-T69 VanDerWaalsContact C-N 3.28Å; M67-T69 PolarHBondContact O-N 3.15Å
70	R	98.4	Very high	97.9	Very high	48 Å²	48	49.1 Å²	49.1	18%	0.181	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.2	176.8	-58.3	-64.5	79	-154.1	-7.2	112.7	F28 P29 L31 Y32 F42 T46 F66 M67 I68	F28-R70 VanDerWaalsContact CE1-CZ 3.41Å; P29-R70 HydrophobicContact CB-CG 4.17Å; P29-R70 WeakPolarHBondContact O-CD 3.27Å; P29-R70 PolarHBondContact O-NH1 2.81Å; L31-R70 CarbonylContact C-O 3.5Å; L31-R70 WeakPolarHBondContact CA-O 3.2Å; Y32-R70 PolarHBondContact N-O 3.15Å; F42-R70 HydrophobicContact CE2-CB 3.64Å; F42-R70 HydrophobicContact CZ-CB 4.17Å; T46-R70 HydrophobicContact CG2-CG 4.45Å; F66-R70 HydrophobicContact CZ-CG 4.5Å; F66-R70 PolarHBondContact O-N 3.01Å; M67-R70 WeakPolarHBondContact O-CA 3.22Å; M67-R70 WeakPolarHBondContact O-CB 3.45Å; M67-R70 PolarHBondContact O-N 3.3Å; I68-R70 PolarHBondContact O-N 3.46Å; I68-R70 VanDerWaalsContact O-N 3.09Å
71	L	98.4	Very high	97.8	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-84.4	147.8	175	-53.1	179.7	0	0	0	111.1	Y32 F42 M67 I68 A75 L76 W78 A79 M100	Y32-L71 HydrophobicContact CD1-CD2 3.78Å; Y32-L71 CarbonylContact O-C 3.53Å; Y32-L71 WeakPolarHBondContact O-CA 3.4Å; F42-L71 HydrophobicContact CE1-CD2 3.88Å; F42-L71 HydrophobicContact CE2-CD2 4.48Å; F42-L71 HydrophobicContact CZ-CD2 3.65Å; M67-L71 WeakPolarHBondContact O-CG 3.43Å; M67-L71 PolarHBondContact O-N 2.98Å; I68-L71 HydrophobicContact CG1-CD1 4.47Å; I68-L71 PolarHBondContact O-N 2.95Å; L71-A75 HydrophobicContact CB-CB 4.29Å; L71-A75 HydrophobicContact CD2-CB 4.13Å; L71-L76 HydrophobicContact CB-CB 4.07Å; L71-L76 HydrophobicContact CB-CD1 4.33Å; L71-W78 HydrophobicContact CD1-CE3 4.25Å; L71-W78 HydrophobicContact CD1-CZ3 4.11Å; L71-A79 HydrophobicContact CD1-CB 3.54Å; L71-M100 HydrophobicContact CD1-CE 4.26Å; L71-M100 HydrophobicContact CD2-CE 3.8Å
72	T	98.4	Very high	97.7	Very high	56 Å²	56	48.3 Å²	48.3	34%	0.344	25%	0.249	S	C	.	.			trans	-140.8	171.1	172.5	-169.1	0	0	0	0	109.9	L31 Y32 D33 A75 L76	L31-T72 HydrophobicContact CB-CG2 4.05Å; Y32-T72 PolarHBondContact O-N 3.21Å; D33-T72 WeakPolarHBondContact CA-O 3.49Å; D33-T72 HydrophobicContact CB-CG2 3.72Å; T72-A75 PolarHBondContact O-N 3.42Å; T72-L76 PolarHBondContact O-N 3.38Å; T72-L76 VanDerWaalsContact O-N 3.11Å
73	G	97.8	Very high	97.6	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	25%	0.248	S	C	.	.	H	α-helix	trans	49.7	-136.7	173.7	0	0	0	0	0	113.8	A75 L76 E77	G73-A75 VanDerWaalsContact C-N 3.28Å; G73-A75 PolarHBondContact O-N 3.27Å; G73-L76 PolarHBondContact O-N 2.92Å; G73-L76 VanDerWaalsContact O-N 3.1Å; G73-E77 PolarHBondContact O-N 3.3Å; G73-E77 VanDerWaalsContact O-N 3.08Å
74	P	97.7	Very high	97.5	Very high	84 Å²	84	50.4 Å²	50.4	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-54.4	-38	178.8	-27.4	34.4	0	0	0	114.6	D33 L76 E77 W78	D33-P74 VanDerWaalsContact O-CD 3.29Å; D33-P74 WeakPolarHBondContact O-CD 3.42Å; P74-L76 VanDerWaalsContact C-N 3.34Å; P74-L76 PolarHBondContact O-N 2.92Å; P74-E77 PolarHBondContact O-N 3.17Å; P74-W78 PolarHBondContact O-N 3.32Å
75	A	98.3	Very high	97.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-36.2	177.8	0	0	0	0	0	112.9	Y32 D33 L71 T72 G73 A79 F104	Y32-A75 HydrophobicContact CD1-CB 3.9Å; Y32-A75 HydrophobicContact CE1-CB 4.08Å; D33-A75 PolarHBondContact O-N 2.7Å; L71-A75 HydrophobicContact CB-CB 4.29Å; L71-A75 HydrophobicContact CD2-CB 4.13Å; T72-A75 PolarHBondContact O-N 3.42Å; G73-A75 VanDerWaalsContact C-N 3.28Å; G73-A75 PolarHBondContact O-N 3.27Å; A75-A79 PolarHBondContact O-N 2.83Å; A75-A79 VanDerWaalsContact O-N 3.12Å; A75-F104 HydrophobicContact CB-CE1 4.12Å; A75-F104 HydrophobicContact CB-CE2 4.46Å; A75-F104 HydrophobicContact CB-CZ 3.77Å
76	L	98.4	Very high	97.3	Very high	64 Å²	64	62.9 Å²	62.9	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-40.5	174.4	-178.3	59.4	0	0	0	111.5	L71 T72 G73 P74 W78 A79 I80	L71-L76 HydrophobicContact CB-CB 4.07Å; L71-L76 HydrophobicContact CB-CD1 4.33Å; T72-L76 PolarHBondContact O-N 3.38Å; T72-L76 VanDerWaalsContact O-N 3.11Å; G73-L76 PolarHBondContact O-N 2.92Å; G73-L76 VanDerWaalsContact O-N 3.1Å; P74-L76 VanDerWaalsContact C-N 3.34Å; P74-L76 PolarHBondContact O-N 2.92Å; L76-W78 VanDerWaalsContact C-N 3.27Å; L76-W78 PolarHBondContact O-N 2.98Å; L76-A79 PolarHBondContact O-N 3.02Å; L76-A79 VanDerWaalsContact O-N 3.15Å; L76-I80 HydrophobicContact CG-CD1 4.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.37Å
77	E	98.1	Very high	97.3	Very high	131 Å²	131	62.9 Å²	62.9	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-58.7	-40.4	175.3	-70	179	175.8	0	0	111.9	G73 P74	G73-E77 PolarHBondContact O-N 3.3Å; G73-E77 VanDerWaalsContact O-N 3.08Å; P74-E77 PolarHBondContact O-N 3.17Å
78	W	97.8	Very high	97.2	Very high	31 Å²	31	67.8 Å²	67.8	12%	0.117	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-50.2	171.7	165.5	78.8	0	0	0	111.8	L71 P74 L76 I80 Q81 Y82 F96 E99 M100 V103 F104	L71-W78 HydrophobicContact CD1-CE3 4.25Å; L71-W78 HydrophobicContact CD1-CZ3 4.11Å; P74-W78 PolarHBondContact O-N 3.32Å; L76-W78 VanDerWaalsContact C-N 3.27Å; L76-W78 PolarHBondContact O-N 2.98Å; W78-I80 VanDerWaalsContact C-N 3.33Å; W78-I80 PolarHBondContact O-N 3.23Å; W78-Q81 WeakPolarHBondContact O-CB 3.25Å; W78-Q81 PolarHBondContact O-N 2.76Å; W78-Y82 AromaticContact CD1-CE2 3.71Å; W78-Y82 AromaticContact CD2-CE2 3.95Å; W78-Y82 HydrophobicContact CD2-CE2 3.95Å; W78-Y82 AromaticContact CE2-CE2 3.39Å; W78-Y82 AromaticContact CE2-CZ 3.86Å; W78-Y82 HydrophobicContact CG-CE2 4.14Å; W78-Y82 AromaticContact CZ2-CE2 3.78Å; W78-Y82 HydrophobicContact CZ2-CE2 3.78Å; W78-Y82 AromaticContact NE1-CE2 3.23Å; W78-Y82 AromaticContact NE1-CZ 3.52Å; W78-Y82 PolarHBondContact NE1-OH 3.27Å; W78-Y82 VanDerWaalsContact O-CD2 3.26Å; W78-Y82 WeakPolarHBondContact O-CD2 3.44Å; W78-Y82 WeakPolarHBondContact O-CE2 3.44Å; W78-F96 HydrophobicContact CH2-CD2 4.31Å; W78-F96 HydrophobicContact CH2-CE1 4.02Å; W78-F96 AromaticContact CH2-CE2 3.7Å; W78-F96 HydrophobicContact CH2-CE2 3.7Å; W78-F96 AromaticContact CH2-CZ 3.54Å; W78-F96 HydrophobicContact CH2-CZ 3.54Å; W78-F96 HydrophobicContact CZ3-CE1 4.11Å; W78-F96 AromaticContact CZ3-CE2 3.98Å; W78-F96 HydrophobicContact CZ3-CE2 3.98Å; W78-F96 AromaticContact CZ3-CZ 3.49Å; W78-F96 HydrophobicContact CZ3-CZ 3.49Å; W78-F96 VanDerWaalsContact CZ3-CZ 3.49Å; W78-E99 HydrophobicContact CZ2-CB 4.4Å; W78-E99 HydrophobicContact CZ2-CG 3.88Å; W78-M100 HydrophobicContact CH2-CB 3.86Å; W78-M100 HydrophobicContact CH2-CE 4.02Å; W78-M100 HydrophobicContact CH2-CG 4.34Å; W78-M100 HydrophobicContact CZ2-CB 4.39Å; W78-M100 HydrophobicContact CZ3-CE 3.56Å; W78-V103 HydrophobicContact CG-CG1 4.37Å; W78-F104 HydrophobicContact CB-CZ 4.13Å; W78-F104 AromaticContact CD2-CE2 3.88Å; W78-F104 HydrophobicContact CD2-CE2 3.88Å; W78-F104 AromaticContact CD2-CZ 3.92Å; W78-F104 HydrophobicContact CD2-CZ 3.92Å; W78-F104 AromaticContact CE3-CE2 3.74Å; W78-F104 HydrophobicContact CE3-CE2 3.74Å; W78-F104 AromaticContact CE3-CZ 3.94Å; W78-F104 HydrophobicContact CE3-CZ 3.94Å; W78-F104 HydrophobicContact CG-CE2 4.41Å; W78-F104 HydrophobicContact CG-CZ 4.02Å; W78-F104 HydrophobicContact CZ3-CE2 4.09Å
79	A	97.5	Very high	97.2	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-34.4	-178.9	0	0	0	0	0	113.6	I68 L71 A75 L76 Q81 Y82 V83	I68-A79 HydrophobicContact CG1-CB 4.26Å; I68-A79 HydrophobicContact CG2-CB 4.42Å; L71-A79 HydrophobicContact CD1-CB 3.54Å; A75-A79 PolarHBondContact O-N 2.83Å; A75-A79 VanDerWaalsContact O-N 3.12Å; L76-A79 PolarHBondContact O-N 3.02Å; L76-A79 VanDerWaalsContact O-N 3.15Å; A79-Q81 PolarHBondContact O-N 3.09Å; A79-Y82 PolarHBondContact O-N 3.02Å; A79-Y82 VanDerWaalsContact O-N 3.08Å; A79-V83 PolarHBondContact O-N 3.05Å
80	I	97.1	Very high	97.2	Very high	71 Å²	71	65.4 Å²	65.4	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-55	-37.6	176.8	-73.9	167.2	0	0	0	111	L76 W78 Y82 V83 E84	L76-I80 HydrophobicContact CG-CD1 4.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.37Å; W78-I80 VanDerWaalsContact C-N 3.33Å; W78-I80 PolarHBondContact O-N 3.23Å; I80-Y82 VanDerWaalsContact C-N 3.26Å; I80-Y82 PolarHBondContact O-N 3.44Å; I80-V83 PolarHBondContact O-N 3.39Å; I80-E84 HydrophobicContact CG2-CG 4.02Å; I80-E84 WeakPolarHBondContact O-CG 3.48Å; I80-E84 PolarHBondContact O-N 3.37Å
81	Q	96.2	Very high	97.1	Very high	82 Å²	82	66.1 Å²	66.1	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-34.6	-180	-58.2	-58.4	-56.7	0	0	112.9	W78 A79 R85	W78-Q81 WeakPolarHBondContact O-CB 3.25Å; W78-Q81 PolarHBondContact O-N 2.76Å; A79-Q81 PolarHBondContact O-N 3.09Å; Q81-R85 WeakPolarHBondContact O-CB 3.43Å; Q81-R85 WeakPolarHBondContact O-CD 3.21Å; Q81-R85 WeakPolarHBondContact O-CG 3.12Å; Q81-R85 PolarHBondContact O-N 2.89Å
82	Y	96.3	Very high	97.1	Very high	34 Å²	34	68.8 Å²	68.8	13%	0.133	37%	0.365	C	S	.	.	H	α-helix	trans	-77.3	-37.1	178.3	-60.3	-90.7	0	0	0	111.3	W78 A79 I80 R85 D86 S87 L89 E99	W78-Y82 AromaticContact CD1-CE2 3.71Å; W78-Y82 AromaticContact CD2-CE2 3.95Å; W78-Y82 HydrophobicContact CD2-CE2 3.95Å; W78-Y82 AromaticContact CE2-CE2 3.39Å; W78-Y82 AromaticContact CE2-CZ 3.86Å; W78-Y82 HydrophobicContact CG-CE2 4.14Å; W78-Y82 AromaticContact CZ2-CE2 3.78Å; W78-Y82 HydrophobicContact CZ2-CE2 3.78Å; W78-Y82 AromaticContact NE1-CE2 3.23Å; W78-Y82 AromaticContact NE1-CZ 3.52Å; W78-Y82 PolarHBondContact NE1-OH 3.27Å; W78-Y82 VanDerWaalsContact O-CD2 3.26Å; W78-Y82 WeakPolarHBondContact O-CD2 3.44Å; W78-Y82 WeakPolarHBondContact O-CE2 3.44Å; A79-Y82 PolarHBondContact O-N 3.02Å; A79-Y82 VanDerWaalsContact O-N 3.08Å; I80-Y82 VanDerWaalsContact C-N 3.26Å; I80-Y82 PolarHBondContact O-N 3.44Å; Y82-R85 PolarHBondContact O-N 3.5Å; Y82-D86 PolarHBondContact O-N 3.32Å; Y82-S87 WeakPolarHBondContact O-CB 3.15Å; Y82-S87 PolarHBondContact O-N 3.48Å; Y82-L89 HydrophobicContact CD1-CD1 3.87Å; Y82-L89 HydrophobicContact CE1-CD1 3.64Å; Y82-E99 HydrophobicContact CE1-CG 4.23Å; Y82-E99 VanDerWaalsContact OH-CG 3.25Å; Y82-E99 WeakPolarHBondContact OH-CG 3.28Å; Y82-E99 PolarHBondContact OH-OE1 3.05Å
83	V	94.3	Very high	97.1	Very high	81 Å²	81	67.6 Å²	67.6	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-45.4	175.3	178.1	0	0	0	0	111.3	I68 A79 I80 R85 D86 L90	I68-V83 HydrophobicContact CD1-CG2 4.43Å; A79-V83 PolarHBondContact O-N 3.05Å; I80-V83 PolarHBondContact O-N 3.39Å; V83-R85 PolarHBondContact O-N 2.93Å; V83-D86 PolarHBondContact O-N 3.48Å; V83-L90 HydrophobicContact CG2-CD1 4.44Å; V83-L90 HydrophobicContact CG2-CD2 4.03Å
84	E	96.7	Very high	97.1	Very high	144 Å²	144	75.8 Å²	75.8	67%	0.673	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-27.7	179.3	-73	-173.7	148	0	0	113.1	I80	I80-E84 HydrophobicContact CG2-CG 4.02Å; I80-E84 WeakPolarHBondContact O-CG 3.48Å; I80-E84 PolarHBondContact O-N 3.37Å
85	R	95.6	Very high	97.1	Very high	189 Å²	189	72.7 Å²	72.7	71%	0.713	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	0.7	-178.5	-65.6	175.4	-171.2	-168.1	4.7	114	Q81 Y82 V83 S87	Q81-R85 WeakPolarHBondContact O-CB 3.43Å; Q81-R85 WeakPolarHBondContact O-CD 3.21Å; Q81-R85 WeakPolarHBondContact O-CG 3.12Å; Q81-R85 PolarHBondContact O-N 2.89Å; Y82-R85 PolarHBondContact O-N 3.5Å; V83-R85 PolarHBondContact O-N 2.93Å; R85-S87 PolarHBondContact O-N 3Å
86	D	94.8	Very high	97.1	Very high	143 Å²	143	72.7 Å²	72.7	77%	0.765	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.7	-173.3	-159.5	33.7	0	0	0	111.2	Y82 V83	Y82-D86 PolarHBondContact O-N 3.32Å; V83-D86 PolarHBondContact O-N 3.48Å
87	S	97.3	Very high	97.1	Very high	20 Å²	20	70.8 Å²	70.8	14%	0.14	35%	0.349	C	S	.	.			trans	-62.2	137.6	-172.6	179.8	0	0	0	0	111.1	Y82 R85 L89 L90	Y82-S87 WeakPolarHBondContact O-CB 3.15Å; Y82-S87 PolarHBondContact O-N 3.48Å; R85-S87 PolarHBondContact O-N 3Å; S87-L89 PolarHBondContact O-N 2.69Å; S87-L89 WeakPolarHBondContact OG-CB 3.32Å; S87-L89 PolarHBondContact OG-N 3.37Å; S87-L90 WeakPolarHBondContact O-CB 3.24Å; S87-L90 WeakPolarHBondContact O-CG 3.42Å; S87-L90 PolarHBondContact O-N 3.15Å
88	P	97.4	Very high	97	Very high	102 Å²	102	67.2 Å²	67.2	66%	0.662	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.8	173.4	25.8	-35	0	0	0	112.9	L90 S91 D92	P88-L90 PolarHBondContact O-N 3.36Å; P88-S91 PolarHBondContact O-N 3.5Å; P88-S91 PolarHBondContact O-OG 2.96Å; P88-D92 PolarHBondContact O-N 3.4Å
89	L	96.9	Very high	97	Very high	33 Å²	33	68.6 Å²	68.6	17%	0.173	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.9	174.6	-66.7	177.9	0	0	0	113.5	Y82 S87 S91 D92 E99	Y82-L89 HydrophobicContact CD1-CD1 3.87Å; Y82-L89 HydrophobicContact CE1-CD1 3.64Å; S87-L89 PolarHBondContact O-N 2.69Å; S87-L89 WeakPolarHBondContact OG-CB 3.32Å; S87-L89 PolarHBondContact OG-N 3.37Å; L89-S91 PolarHBondContact O-N 3.27Å; L89-D92 PolarHBondContact O-N 3.44Å; L89-E99 HydrophobicContact CD1-CB 4.3Å; L89-E99 HydrophobicContact CD1-CG 4.27Å
90	L	97.5	Very high	96.9	Very high	19 Å²	19	68.5 Å²	68.5	10%	0.099	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.6	174.2	-60.1	174	0	0	0	112.4	E61 V64 I68 V83 S87 P88	E61-L90 WeakPolarHBondContact CA-O 3.23Å; V64-L90 WeakPolarHBondContact CB-O 3.29Å; V64-L90 HydrophobicContact CG1-CD2 4.46Å; I68-L90 HydrophobicContact CD1-CD2 3.76Å; V83-L90 HydrophobicContact CG2-CD1 4.44Å; V83-L90 HydrophobicContact CG2-CD2 4.03Å; S87-L90 WeakPolarHBondContact O-CB 3.24Å; S87-L90 WeakPolarHBondContact O-CG 3.42Å; S87-L90 PolarHBondContact O-N 3.15Å; P88-L90 PolarHBondContact O-N 3.36Å
91	S	97.5	Very high	96.8	Very high	63 Å²	63	67.1 Å²	67.1	44%	0.441	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-109.2	1.1	179.7	72.9	0	0	0	0	114.2	D60 E61 P88 L89	D60-S91 WeakPolarHBondContact CB-O 3.4Å; E61-S91 WeakPolarHBondContact OE2-CA 3.36Å; E61-S91 WeakPolarHBondContact OE2-CB 3.37Å; P88-S91 PolarHBondContact O-N 3.5Å; P88-S91 PolarHBondContact O-OG 2.96Å; L89-S91 PolarHBondContact O-N 3.27Å
92	D	98.3	Very high	96.8	Very high	64 Å²	64	70.4 Å²	70.4	34%	0.342	36%	0.355	S	S	.	.			trans	-125.3	97.1	-176.7	175.6	8.8	0	0	0	109.9	P88 L89 R94 G95 F96	P88-D92 PolarHBondContact O-N 3.4Å; L89-D92 PolarHBondContact O-N 3.44Å; D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 3.33Å; D92-R94 PolarHBondContact OD1-N 3.21Å; D92-G95 VanDerWaalsContact CG-N 3.31Å; D92-G95 PolarHBondContact O-N 3.38Å; D92-G95 PolarHBondContact OD1-N 2.99Å; D92-G95 WeakPolarHBondContact OD2-CA 3.23Å; D92-G95 PolarHBondContact OD2-N 3.48Å; D92-F96 VanDerWaalsContact O-CB 3.31Å; D92-F96 WeakPolarHBondContact O-CB 3.28Å; D92-F96 PolarHBondContact O-N 3.44Å
93	Y	98.1	Very high	96.8	Very high	32 Å²	32	72.1 Å²	72.1	13%	0.125	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-38.3	-176.5	176.6	-111.3	0	0	0	112.1	M50 D60 K63 V64 M67 L97	M50-Y93 HydrophobicContact CE-CE2 4.04Å; M50-Y93 HydrophobicContact SD-CE2 4.15Å; D60-Y93 VanDerWaalsContact CG-CB 3.44Å; D60-Y93 PolarHBondContact OD2-N 3.26Å; K63-Y93 HydrophobicContact CB-CD2 3.46Å; K63-Y93 VanDerWaalsContact CB-CD2 3.46Å; K63-Y93 HydrophobicContact CB-CE2 3.86Å; K63-Y93 HydrophobicContact CB-CG 4Å; K63-Y93 HydrophobicContact CD-CD1 4.05Å; K63-Y93 HydrophobicContact CD-CD2 4.1Å; K63-Y93 HydrophobicContact CD-CE1 4.42Å; K63-Y93 HydrophobicContact CD-CE2 4.46Å; K63-Y93 HydrophobicContact CD-CG 3.87Å; K63-Y93 HydrophobicContact CG-CD2 4.43Å; V64-Y93 HydrophobicContact CG2-CD2 4.29Å; M67-Y93 HydrophobicContact CG-CE2 4.41Å; M67-Y93 HydrophobicContact SD-CD2 4.2Å; M67-Y93 HydrophobicContact SD-CE2 3.5Å; M67-Y93 VanDerWaalsContact SD-CE2 3.5Å; Y93-L97 HydrophobicContact CD1-CD1 4.11Å; Y93-L97 HydrophobicContact CE1-CD1 3.5Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.5Å; Y93-L97 HydrophobicContact CE1-CG 4.39Å; Y93-L97 HydrophobicContact CE2-CD1 4.11Å; Y93-L97 HydrophobicContact CE2-CG 4.21Å; Y93-L97 WeakPolarHBondContact O-CG 3.48Å; Y93-L97 PolarHBondContact O-N 3.22Å
94	R	97.6	Very high	96.8	Very high	204 Å²	204	69.2 Å²	69.2	77%	0.77	35%	0.35	S	S	*	.	H	α-helix	trans	-71.2	-44.1	-178.8	-67.6	179.6	64.9	-161.3	-1.4	110.8	D92 L97 A98	D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 3.33Å; D92-R94 PolarHBondContact OD1-N 3.21Å; R94-L97 PolarHBondContact O-N 3.45Å; R94-A98 PolarHBondContact O-N 3.49Å
95	G	97.9	Very high	96.4	Very high	18 Å²	18	64 Å²	64	19%	0.186	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-44.1	174.5	0	0	0	0	0	112	D92 L97 A98 E99	D92-G95 VanDerWaalsContact CG-N 3.31Å; D92-G95 PolarHBondContact O-N 3.38Å; D92-G95 PolarHBondContact OD1-N 2.99Å; D92-G95 WeakPolarHBondContact OD2-CA 3.23Å; D92-G95 PolarHBondContact OD2-N 3.48Å; G95-L97 VanDerWaalsContact C-N 3.35Å; G95-L97 PolarHBondContact O-N 3.45Å; G95-A98 PolarHBondContact O-N 3.19Å; G95-E99 WeakPolarHBondContact O-CB 3.22Å; G95-E99 PolarHBondContact O-N 3.27Å
96	F	97.9	Very high	95.8	Very high	1 Å²	1	59 Å²	59	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-42.7	177.6	-171.3	-94	0	0	0	112.1	V64 M67 I68 W78 D92 M100	V64-F96 HydrophobicContact CG1-CB 4.4Å; V64-F96 HydrophobicContact CG1-CD1 4.19Å; V64-F96 HydrophobicContact CG1-CD2 3.7Å; V64-F96 HydrophobicContact CG1-CE1 4.4Å; V64-F96 HydrophobicContact CG1-CE2 3.94Å; V64-F96 HydrophobicContact CG1-CG 3.83Å; V64-F96 HydrophobicContact CG1-CZ 4.28Å; V64-F96 HydrophobicContact CG2-CB 3.94Å; V64-F96 HydrophobicContact CG2-CG 4.18Å; M67-F96 HydrophobicContact CB-CE1 4.22Å; M67-F96 HydrophobicContact SD-CD1 4.24Å; M67-F96 HydrophobicContact SD-CE1 4.39Å; I68-F96 HydrophobicContact CD1-CE2 4.39Å; I68-F96 HydrophobicContact CD1-CZ 4.44Å; I68-F96 HydrophobicContact CG1-CE2 4.34Å; I68-F96 HydrophobicContact CG1-CZ 3.9Å; W78-F96 HydrophobicContact CH2-CD2 4.31Å; W78-F96 HydrophobicContact CH2-CE1 4.02Å; W78-F96 AromaticContact CH2-CE2 3.7Å; W78-F96 HydrophobicContact CH2-CE2 3.7Å; W78-F96 AromaticContact CH2-CZ 3.54Å; W78-F96 HydrophobicContact CH2-CZ 3.54Å; W78-F96 HydrophobicContact CZ3-CE1 4.11Å; W78-F96 AromaticContact CZ3-CE2 3.98Å; W78-F96 HydrophobicContact CZ3-CE2 3.98Å; W78-F96 AromaticContact CZ3-CZ 3.49Å; W78-F96 HydrophobicContact CZ3-CZ 3.49Å; W78-F96 VanDerWaalsContact CZ3-CZ 3.49Å; D92-F96 VanDerWaalsContact O-CB 3.31Å; D92-F96 WeakPolarHBondContact O-CB 3.28Å; D92-F96 PolarHBondContact O-N 3.44Å; F96-M100 HydrophobicContact CE1-CE 3.72Å; F96-M100 HydrophobicContact CZ-CE 4.26Å; F96-M100 VanDerWaalsContact O-CB 3.28Å; F96-M100 WeakPolarHBondContact O-CB 3.12Å; F96-M100 PolarHBondContact O-N 3.49Å
97	L	97.3	Very high	94.5	Very high	24 Å²	24	57.2 Å²	57.2	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-47.6	173.7	-78.9	177.9	0	0	0	111.8	I43 M67 Y93 R94 G95 E99 M100 K101	I43-L97 HydrophobicContact CD1-CD2 4.25Å; I43-L97 HydrophobicContact CG1-CD2 4.04Å; I43-L97 HydrophobicContact CG2-CD2 4.27Å; M67-L97 HydrophobicContact CE-CD2 3.65Å; M67-L97 HydrophobicContact SD-CD2 3.9Å; M67-L97 HydrophobicContact SD-CG 4.49Å; Y93-L97 HydrophobicContact CD1-CD1 4.11Å; Y93-L97 HydrophobicContact CE1-CD1 3.5Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.5Å; Y93-L97 HydrophobicContact CE1-CG 4.39Å; Y93-L97 HydrophobicContact CE2-CD1 4.11Å; Y93-L97 HydrophobicContact CE2-CG 4.21Å; Y93-L97 WeakPolarHBondContact O-CG 3.48Å; Y93-L97 PolarHBondContact O-N 3.22Å; R94-L97 PolarHBondContact O-N 3.45Å; G95-L97 VanDerWaalsContact C-N 3.35Å; G95-L97 PolarHBondContact O-N 3.45Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 2.9Å; L97-M100 WeakPolarHBondContact O-CB 3.26Å; L97-M100 PolarHBondContact O-N 3.49Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.49Å; L97-K101 PolarHBondContact O-N 3.47Å
98	A	96.9	Very high	92.9	Very high	56 Å²	56	61.6 Å²	61.6	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-46.1	179.2	0	0	0	0	0	111.9	R94 G95 K101 Q102	R94-A98 PolarHBondContact O-N 3.49Å; G95-A98 PolarHBondContact O-N 3.19Å; A98-K101 PolarHBondContact O-N 3.4Å; A98-Q102 WeakPolarHBondContact O-CB 3.29Å; A98-Q102 PolarHBondContact O-N 3.08Å
99	E	97.1	Very high	91	Very high	59 Å²	59	63.8 Å²	63.8	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.6	-172.9	77	173.6	0	0	111.1	W78 Y82 L89 G95 L97 K101 Q102 V103	W78-E99 HydrophobicContact CZ2-CB 4.4Å; W78-E99 HydrophobicContact CZ2-CG 3.88Å; Y82-E99 HydrophobicContact CE1-CG 4.23Å; Y82-E99 VanDerWaalsContact OH-CG 3.25Å; Y82-E99 WeakPolarHBondContact OH-CG 3.28Å; Y82-E99 PolarHBondContact OH-OE1 3.05Å; L89-E99 HydrophobicContact CD1-CB 4.3Å; L89-E99 HydrophobicContact CD1-CG 4.27Å; G95-E99 WeakPolarHBondContact O-CB 3.22Å; G95-E99 PolarHBondContact O-N 3.27Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 2.9Å; E99-K101 PolarHBondContact O-N 3.38Å; E99-Q102 PolarHBondContact O-N 3.12Å; E99-V103 HydrophobicContact CG-CG2 4.37Å; E99-V103 WeakPolarHBondContact O-CB 3.37Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.43Å; E99-V103 PolarHBondContact O-N 2.74Å
100	M	96.4	Very high	88.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-45.1	177.1	-177.1	177.2	-90.7	0	0	111.8	L39 F42 M67 L71 W78 F96 L97 Q102 V103 F104	L39-M100 HydrophobicContact CD1-CG 3.84Å; L39-M100 HydrophobicContact CD1-SD 3.83Å; F42-M100 HydrophobicContact CD1-SD 3.99Å; F42-M100 HydrophobicContact CE1-CE 3.78Å; F42-M100 HydrophobicContact CE1-SD 3.68Å; M67-M100 HydrophobicContact CE-CE 4.14Å; M67-M100 HydrophobicContact CE-SD 3.7Å; L71-M100 HydrophobicContact CD1-CE 4.26Å; L71-M100 HydrophobicContact CD2-CE 3.8Å; W78-M100 HydrophobicContact CH2-CB 3.86Å; W78-M100 HydrophobicContact CH2-CE 4.02Å; W78-M100 HydrophobicContact CH2-CG 4.34Å; W78-M100 HydrophobicContact CZ2-CB 4.39Å; W78-M100 HydrophobicContact CZ3-CE 3.56Å; F96-M100 HydrophobicContact CE1-CE 3.72Å; F96-M100 HydrophobicContact CZ-CE 4.26Å; F96-M100 VanDerWaalsContact O-CB 3.28Å; F96-M100 WeakPolarHBondContact O-CB 3.12Å; F96-M100 PolarHBondContact O-N 3.49Å; L97-M100 WeakPolarHBondContact O-CB 3.26Å; L97-M100 PolarHBondContact O-N 3.49Å; M100-Q102 VanDerWaalsContact C-N 3.34Å; M100-Q102 PolarHBondContact O-N 3.07Å; M100-V103 PolarHBondContact O-N 3.5Å; M100-F104 HydrophobicContact CG-CD2 3.62Å; M100-F104 HydrophobicContact CG-CE2 3.96Å; M100-F104 VanDerWaalsContact O-CD2 3.28Å; M100-F104 WeakPolarHBondContact O-CD2 3.3Å; M100-F104 PolarHBondContact O-N 2.78Å
101	K	95.5	Very high	86.5	Confident	42 Å²	42	76.9 Å²	76.9	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-59.3	-46.1	176.1	-68.3	-169.8	-163.1	-157.8	0	111.8	I43 L97 A98 E99 G105 W106 E108	I43-K101 HydrophobicContact CD1-CG 4.28Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.49Å; L97-K101 PolarHBondContact O-N 3.47Å; A98-K101 PolarHBondContact O-N 3.4Å; E99-K101 PolarHBondContact O-N 3.38Å; K101-G105 PolarHBondContact O-N 2.85Å; K101-W106 HydrophobicContact CB-CB 4.21Å; K101-W106 HydrophobicContact CD-CD2 4.04Å; K101-W106 HydrophobicContact CD-CE3 3.33Å; K101-W106 HydrophobicContact CD-CZ3 3.63Å; K101-W106 VanDerWaalsContact CE-CE3 3.41Å; K101-W106 HydrophobicContact CG-CB 4.33Å; K101-W106 HydrophobicContact CG-CD2 4.24Å; K101-W106 HydrophobicContact CG-CE3 3.47Å; K101-W106 VanDerWaalsContact CG-CE3 3.47Å; K101-W106 HydrophobicContact CG-CZ3 4.12Å; K101-W106 VanDerWaalsContact NZ-CH2 3.28Å; K101-W106 PolarHBondContact O-N 2.71Å; K101-E108 IonicContact NZ-OE1 3.72Å; K101-E108 PolarHBondContact NZ-OE1 3.09Å
102	Q	95.3	Very high	83.7	Confident	150 Å²	150	87.7 Å²	87.7	70%	0.701	44%	0.439	S	S	*	.	H	α-helix	trans	-63.5	-44.3	179.2	-177.5	-179.4	-20.8	0	0	111.8	A98 E99 M100	A98-Q102 WeakPolarHBondContact O-CB 3.29Å; A98-Q102 PolarHBondContact O-N 3.08Å; E99-Q102 PolarHBondContact O-N 3.12Å; M100-Q102 VanDerWaalsContact C-N 3.34Å; M100-Q102 PolarHBondContact O-N 3.07Å
103	V	96.3	Very high	83	Confident	70 Å²	70	88.9 Å²	88.9	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-72.9	-43.5	-175.3	169	0	0	0	0	112.3	W78 E99 M100 G105	W78-V103 HydrophobicContact CG-CG1 4.37Å; E99-V103 HydrophobicContact CG-CG2 4.37Å; E99-V103 WeakPolarHBondContact O-CB 3.37Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.43Å; E99-V103 PolarHBondContact O-N 2.74Å; M100-V103 PolarHBondContact O-N 3.5Å; V103-G105 VanDerWaalsContact C-N 3.33Å
104	F	95.8	Very high	82.2	Confident	20 Å²	20	91.9 Å²	91.9	9%	0.088	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	11.3	-178.4	-58.3	-71.2	0	0	0	113.3	Y32 G34 T36 L39 A75 W78 M100	Y32-F104 HydrophobicContact CE1-CD1 4.47Å; Y32-F104 HydrophobicContact CE1-CD2 4.03Å; Y32-F104 HydrophobicContact CE1-CE2 4.26Å; Y32-F104 HydrophobicContact CE1-CG 4.17Å; Y32-F104 VanDerWaalsContact OH-CB 3.3Å; Y32-F104 WeakPolarHBondContact OH-CB 3.48Å; Y32-F104 WeakPolarHBondContact OH-CG 3.25Å; G34-F104 WeakPolarHBondContact O-CD1 3.48Å; T36-F104 WeakPolarHBondContact CA-O 3.28Å; T36-F104 VanDerWaalsContact CB-O 3.27Å; T36-F104 WeakPolarHBondContact CB-O 3.18Å; T36-F104 WeakPolarHBondContact CG2-O 3.48Å; T36-F104 PolarHBondContact OG1-O 2.8Å; L39-F104 HydrophobicContact CD2-CB 3.88Å; A75-F104 HydrophobicContact CB-CE1 4.12Å; A75-F104 HydrophobicContact CB-CE2 4.46Å; A75-F104 HydrophobicContact CB-CZ 3.77Å; W78-F104 HydrophobicContact CB-CZ 4.13Å; W78-F104 AromaticContact CD2-CE2 3.88Å; W78-F104 HydrophobicContact CD2-CE2 3.88Å; W78-F104 AromaticContact CD2-CZ 3.92Å; W78-F104 HydrophobicContact CD2-CZ 3.92Å; W78-F104 AromaticContact CE3-CE2 3.74Å; W78-F104 HydrophobicContact CE3-CE2 3.74Å; W78-F104 AromaticContact CE3-CZ 3.94Å; W78-F104 HydrophobicContact CE3-CZ 3.94Å; W78-F104 HydrophobicContact CG-CE2 4.41Å; W78-F104 HydrophobicContact CG-CZ 4.02Å; W78-F104 HydrophobicContact CZ3-CE2 4.09Å; M100-F104 HydrophobicContact CG-CD2 3.62Å; M100-F104 HydrophobicContact CG-CE2 3.96Å; M100-F104 VanDerWaalsContact O-CD2 3.28Å; M100-F104 WeakPolarHBondContact O-CD2 3.3Å; M100-F104 PolarHBondContact O-N 2.78Å
105	G	88.3	Confident	81.4	Confident	36 Å²	36	85.7 Å²	85.7	37%	0.371	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	28.2	166	0	0	0	0	0	115.2	K101 V103 V107	K101-G105 PolarHBondContact O-N 2.85Å; V103-G105 VanDerWaalsContact C-N 3.33Å; G105-V107 VanDerWaalsContact C-N 3.35Å; G105-V107 PolarHBondContact O-N 2.75Å
106	W	82.8	Confident	80.4	Confident	84 Å²	84	89.6 Å²	89.6	32%	0.318	46%	0.459	S	S	.	.			trans	-77.6	92.3	167.6	-173.9	23.3	0	0	0	109.4	L39 I43 K101 E108	L39-W106 HydrophobicContact CD2-CB 3.47Å; L39-W106 VanDerWaalsContact CD2-CB 3.47Å; L39-W106 HydrophobicContact CD2-CG 4.47Å; L39-W106 HydrophobicContact CG-CB 4.33Å; I43-W106 HydrophobicContact CD1-CE3 3.51Å; I43-W106 HydrophobicContact CD1-CZ3 3.56Å; K101-W106 HydrophobicContact CB-CB 4.21Å; K101-W106 HydrophobicContact CD-CD2 4.04Å; K101-W106 HydrophobicContact CD-CE3 3.33Å; K101-W106 HydrophobicContact CD-CZ3 3.63Å; K101-W106 VanDerWaalsContact CE-CE3 3.41Å; K101-W106 HydrophobicContact CG-CB 4.33Å; K101-W106 HydrophobicContact CG-CD2 4.24Å; K101-W106 HydrophobicContact CG-CE3 3.47Å; K101-W106 VanDerWaalsContact CG-CE3 3.47Å; K101-W106 HydrophobicContact CG-CZ3 4.12Å; K101-W106 VanDerWaalsContact NZ-CH2 3.28Å; K101-W106 PolarHBondContact O-N 2.71Å; W106-E108 HydrophobicContact CZ2-CG 4.3Å; W106-E108 PolarHBondContact O-N 2.88Å
107	V	67.6	Low	79.3	Confident	104 Å²	104	95.2 Å²	95.2	63%	0.63	49%	0.487	S	S	*	.			trans	-74.9	113.5	167	-175	0	0	0	0	106.7	G105 D109	G105-V107 VanDerWaalsContact C-N 3.35Å; G105-V107 PolarHBondContact O-N 2.75Å; V107-D109 PolarHBondContact O-N 2.63Å
108	E	63.7	Low	78.1	Confident	113 Å²	113	99.9 Å²	99.9	53%	0.528	51%	0.511	S	S	.	.			trans	-67.7	111.1	159.8	-70.1	177.2	-176.6	0	0	104.9	K101 W106 E110	K101-E108 IonicContact NZ-OE1 3.72Å; K101-E108 PolarHBondContact NZ-OE1 3.09Å; W106-E108 HydrophobicContact CZ2-CG 4.3Å; W106-E108 PolarHBondContact O-N 2.88Å; E108-E110 VanDerWaalsContact C-N 3.31Å; E108-E110 PolarHBondContact O-N 2.65Å
109	D	56.5	Low	76.8	Confident	147 Å²	147	103.1 Å²	103.1	79%	0.786	52%	0.515	S	S	*	.			trans	-56.8	100.3	171.4	-71.9	-44.8	0	0	0	107.1	V107 D111	V107-D109 PolarHBondContact O-N 2.63Å; D109-D111 PolarHBondContact O-N 3.02Å
110	E	50.9	Low	75.2	Confident	189 Å²	189	106.5 Å²	106.5	88%	0.883	53%	0.533	S	S	*	.			trans	-72.1	53.7	170.7	-73.7	-165.1	148	0	0	109.5	E108	E108-E110 VanDerWaalsContact C-N 3.31Å; E108-E110 PolarHBondContact O-N 2.65Å
111	D	48.5	Very low	73.4	Confident	139 Å²	139	115.3 Å²	115.3	74%	0.743	58%	0.577	S	S	*	*			trans	-155.4	80.3	177.1	-86.2	-42.7	0	0	0	110.6	D109	D109-D111 PolarHBondContact O-N 3.02Å
112	F	40.2	Very low	71.4	Confident	290 Å²	290	122 Å²	122	100%	1.272	61%	0.613	S	S	*	*			trans	-160.7	0	145.5	-96.3	-70.5	0	0	0	112

Retrieved 112 of 112 residues in 104 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).