A0A077Z2H8_TRITR Loading...

ORM1 protein 3

AlphaFold DB , UniProt , Accession A0A077Z2H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

						>A0A077Z2H8_TRITR|A0A077Z2H8
MNVGMAHCESNPNSSWLSDRGGWAAYTAGVMVLHLVLRLVLCTPCQFVWTATNVLHNMLMYVIMHMIKGAPWLNTDQGESRRLTYWEQIDSGAQFTDTKKFLITNHATNYSLVHFLINLVSLIFVLVPKMPQFHKVRLFDLNKY
					

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	51	Low	68.5	Low	223 Å²	223	114.4 Å²	114.4	100%	1.099	67%	0.67	S	S	*	*				0	111.8	0	-73.9	159.1	70	0	0	107.3	V3	M1-V3 PolarHBondContact O-N 2.99Å
2	N	48.9	Very low	70.5	Confident	174 Å²	174	108.6 Å²	108.6	93%	0.93	64%	0.639	S	S	*	*			trans	-82.6	93.1	169.4	-130.8	12.9	0	0	0	105.6	G4	N2-G4 PolarHBondContact O-N 2.8Å
3	V	62.2	Low	72.2	Confident	113 Å²	113	101 Å²	101	69%	0.685	59%	0.594	S	S	*	*			trans	-65.4	107.3	168.3	-90.2	0	0	0	0	105.8	M1 M5	M1-V3 PolarHBondContact O-N 2.99Å; V3-M5 PolarHBondContact O-N 2.95Å
4	G	62.3	Low	73.6	Confident	75 Å²	75	94.8 Å²	94.8	77%	0.773	56%	0.558	S	S	*	*			trans	-57.9	106.6	170.9	0	0	0	0	0	107.1	N2 A6	N2-G4 PolarHBondContact O-N 2.8Å; G4-A6 PolarHBondContact O-N 2.96Å
5	M	63.3	Low	74.8	Confident	147 Å²	147	90.9 Å²	90.9	72%	0.724	54%	0.538	S	S	*	.			trans	-62.6	111.3	168.4	-75.6	-75.8	-81.4	0	0	105.6	V3 H7	V3-M5 PolarHBondContact O-N 2.95Å; M5-H7 VanDerWaalsContact C-N 3.31Å; M5-H7 PolarHBondContact O-CD2 2.81Å; M5-H7 VanDerWaalsContact O-CD2 3.31Å; M5-H7 PolarHBondContact O-N 2.54Å
6	A	64.4	Low	75.7	Confident	92 Å²	92	91.8 Å²	91.8	76%	0.76	53%	0.529	S	S	*	.			trans	-63.7	101.1	168.4	0	0	0	0	0	106.4	G4 C8	G4-A6 PolarHBondContact O-N 2.96Å; A6-C8 VanDerWaalsContact C-N 3.32Å; A6-C8 PolarHBondContact O-N 2.99Å
7	H	65.9	Low	76.7	Confident	175 Å²	175	86.7 Å²	86.7	81%	0.81	50%	0.5	S	S	*	.			trans	-72.9	93.9	170.6	-72.4	-83.2	0	0	0	107	M5	M5-H7 VanDerWaalsContact C-N 3.31Å; M5-H7 PolarHBondContact O-CD2 2.81Å; M5-H7 VanDerWaalsContact O-CD2 3.31Å; M5-H7 PolarHBondContact O-N 2.54Å
8	C	72.6	Confident	77.4	Confident	110 Å²	110	84.7 Å²	84.7	74%	0.743	49%	0.492	S	S	*	.			trans	-70	135.1	163.1	-66.3	0	0	0	0	108.1	A6 S10	A6-C8 VanDerWaalsContact C-N 3.32Å; A6-C8 PolarHBondContact O-N 2.99Å; C8-S10 PolarHBondContact O-N 3.22Å
9	E	81.6	Confident	78.1	Confident	74 Å²	74	85.7 Å²	85.7	35%	0.346	50%	0.495	S	S	.	.			trans	-60.8	132.3	171.7	-173.4	-179.9	166.1	0	0	110.1	N11 S14 S15	E9-N11 VanDerWaalsContact C-N 3.35Å; E9-S14 PolarHBondContact OE1-OG 3.1Å; E9-S15 WeakPolarHBondContact OE1-CB 3.48Å; E9-S15 PolarHBondContact OE1-N 3.08Å; E9-S15 PolarHBondContact OE1-OG 3.27Å; E9-S15 VanDerWaalsContact OE2-CB 3.26Å; E9-S15 WeakPolarHBondContact OE2-CB 3.41Å; E9-S15 PolarHBondContact OE2-OG 3.09Å
10	S	89.2	Confident	78.8	Confident	61 Å²	61	92.6 Å²	92.6	43%	0.427	51%	0.513	S	S	.	.	S	Bend	trans	-70.6	-31.9	-176	56.9	0	0	0	0	113.3	C8 N74 T75	C8-S10 PolarHBondContact O-N 3.22Å; S10-N74 WeakPolarHBondContact O-CA 3.39Å; S10-N74 WeakPolarHBondContact O-CB 3.04Å; S10-T75 WeakPolarHBondContact CA-OG1 3.4Å; S10-T75 PolarHBondContact O-N 3.49Å
11	N	92.2	Very high	79.5	Confident	14 Å²	14	90.6 Å²	90.6	8%	0.075	51%	0.514	C	S	.	.			trans	-136.2	90.4	176.1	176.2	18.2	0	0	0	109.9	E9 N13 S14 N74 Q88	E9-N11 VanDerWaalsContact C-N 3.35Å; N11-N13 PolarHBondContact O-N 3.12Å; N11-N13 WeakPolarHBondContact OD1-CB 3.03Å; N11-N13 PolarHBondContact OD1-N 3.2Å; N11-S14 WeakPolarHBondContact O-CB 3.37Å; N11-S14 PolarHBondContact O-N 3.24Å; N11-S14 PolarHBondContact O-OG 3.4Å; N11-N74 PolarHBondContact OD1-ND2 3.41Å; N11-N74 PolarHBondContact OD1-OD1 2.81Å; N11-Q88 PolarHBondContact ND2-OE1 3.35Å
12	P	91.9	Very high	81.5	Confident	45 Å²	45	80.5 Å²	80.5	29%	0.292	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.5	178.6	-26.2	35.4	0	0	0	114.8	S14 W16 W72 N74	P12-S14 PolarHBondContact O-N 3.05Å; P12-W16 PolarHBondContact O-N 2.74Å; P12-W72 HydrophobicContact CB-CG 4.15Å; P12-W72 HydrophobicContact CG-CB 4.43Å; P12-N74 WeakPolarHBondContact CD-OD1 3.49Å
13	N	92.8	Very high	83.6	Confident	10 Å²	10	75.6 Å²	75.6	5%	0.053	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.1	173.3	-152.5	32.5	0	0	0	111.6	N11 W16 G69 A70 W72 Y85 Q88	N11-N13 PolarHBondContact O-N 3.12Å; N11-N13 WeakPolarHBondContact OD1-CB 3.03Å; N11-N13 PolarHBondContact OD1-N 3.2Å; N13-W16 PolarHBondContact OD1-NE1 3.46Å; N13-G69 PolarHBondContact ND2-O 2.66Å; N13-A70 HydrophobicContact CB-CB 3.74Å; N13-W72 VanDerWaalsContact N-CD1 3.32Å; N13-Y85 VanDerWaalsContact ND2-CD2 3.28Å; N13-Y85 WeakPolarHBondContact ND2-CD2 3.31Å; N13-Y85 VanDerWaalsContact O-CE2 3.29Å; N13-Y85 WeakPolarHBondContact O-CE2 3.34Å; N13-Y85 WeakPolarHBondContact OD1-CE2 3.15Å; N13-Q88 PolarHBondContact ND2-OE1 3.18Å
14	S	92.8	Very high	85.1	Confident	14 Å²	14	73.1 Å²	73.1	10%	0.098	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.6	-174.7	86.4	0	0	0	0	113.4	E9 N11 P12 Q88 D90	E9-S14 PolarHBondContact OE1-OG 3.1Å; N11-S14 WeakPolarHBondContact O-CB 3.37Å; N11-S14 PolarHBondContact O-N 3.24Å; N11-S14 PolarHBondContact O-OG 3.4Å; P12-S14 PolarHBondContact O-N 3.05Å; S14-Q88 WeakPolarHBondContact CA-O 3.28Å; S14-Q88 WeakPolarHBondContact CB-O 3.33Å; S14-D90 PolarHBondContact O-N 2.86Å
15	S	91.4	Very high	86.7	Confident	37 Å²	37	72.6 Å²	72.6	26%	0.259	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-24	-169.1	73.5	0	0	0	0	115.7	E9 L17 S18	E9-S15 WeakPolarHBondContact OE1-CB 3.48Å; E9-S15 PolarHBondContact OE1-N 3.08Å; E9-S15 PolarHBondContact OE1-OG 3.27Å; E9-S15 VanDerWaalsContact OE2-CB 3.26Å; E9-S15 WeakPolarHBondContact OE2-CB 3.41Å; E9-S15 PolarHBondContact OE2-OG 3.09Å; S15-L17 PolarHBondContact O-N 3.15Å; S15-S18 VanDerWaalsContact O-CB 3.23Å; S15-S18 WeakPolarHBondContact O-CB 2.99Å; S15-S18 PolarHBondContact O-N 3.06Å; S15-S18 PolarHBondContact O-OG 3.4Å
16	W	89.3	Confident	88.1	Confident	104 Å²	104	68 Å²	68	39%	0.394	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-60	-30.2	-166.2	74.5	-89.5	0	0	0	113.9	P12 N13 S18 Y85	P12-W16 PolarHBondContact O-N 2.74Å; N13-W16 PolarHBondContact OD1-NE1 3.46Å; W16-S18 VanDerWaalsContact C-N 3.3Å; W16-Y85 AromaticContact CE2-CZ 3.98Å; W16-Y85 HydrophobicContact CZ2-CE1 4.28Å; W16-Y85 AromaticContact CZ2-CZ 3.93Å; W16-Y85 WeakPolarHBondContact CZ2-OH 3.37Å; W16-Y85 AromaticContact NE1-CE2 3.87Å; W16-Y85 AromaticContact NE1-CZ 3.6Å; W16-Y85 PolarHBondContact NE1-OH 3.2Å
17	L	91.4	Very high	89.5	Confident	6 Å²	6	67 Å²	67	3%	0.031	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-81	-9	178.3	-168.7	62.7	0	0	0	112.7	S15 D19 W23 Y85 T98 L102	S15-L17 PolarHBondContact O-N 3.15Å; L17-D19 PolarHBondContact O-N 3.21Å; L17-W23 PolarHBondContact O-NE1 3.39Å; L17-Y85 WeakPolarHBondContact CB-OH 3.44Å; L17-T98 HydrophobicContact CB-CG2 4.01Å; L17-T98 HydrophobicContact CD2-CG2 4Å; L17-T98 HydrophobicContact CG-CG2 3.82Å; L17-L102 HydrophobicContact CD2-CD1 3.68Å; L17-L102 HydrophobicContact CD2-CD2 4.08Å; L17-L102 HydrophobicContact CD2-CG 4.1Å
18	S	89.8	Confident	90.9	Very high	51 Å²	51	61.2 Å²	61.2	36%	0.357	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-71.6	-19.9	172.3	72.9	0	0	0	0	112.3	S15 W16	S15-S18 VanDerWaalsContact O-CB 3.23Å; S15-S18 WeakPolarHBondContact O-CB 2.99Å; S15-S18 PolarHBondContact O-N 3.06Å; S15-S18 PolarHBondContact O-OG 3.4Å; W16-S18 VanDerWaalsContact C-N 3.3Å
19	D	91.3	Very high	92	Very high	104 Å²	104	57.9 Å²	57.9	56%	0.556	34%	0.341	S	S	*	.	S	Bend	trans	-72	141.6	176.9	-71.8	-23.9	0	0	0	112.1	L17 G21 G22 W23	L17-D19 PolarHBondContact O-N 3.21Å; D19-G21 PolarHBondContact O-N 3Å; D19-G21 VanDerWaalsContact O-N 3.16Å; D19-G22 WeakPolarHBondContact O-CA 3.24Å; D19-G22 PolarHBondContact O-N 3.23Å; D19-W23 PolarHBondContact O-N 3.33Å
20	R	91.4	Very high	92.6	Very high	222 Å²	222	56 Å²	56	84%	0.838	34%	0.335	S	S	*	.	H	α-helix	trans	-57.5	-32	174.5	-64.4	-177.9	-179.6	-127.3	-0.1	112.7	G22 W23 A24	R20-G22 VanDerWaalsContact C-N 3.33Å; R20-W23 PolarHBondContact O-N 3.42Å; R20-A24 WeakPolarHBondContact O-CB 3.35Å; R20-A24 PolarHBondContact O-N 3.06Å
21	G	94	Very high	92.8	Very high	52 Å²	52	57.4 Å²	57.4	54%	0.536	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-40.2	174.1	0	0	0	0	0	112.1	D19 A24 A25	D19-G21 PolarHBondContact O-N 3Å; D19-G21 VanDerWaalsContact O-N 3.16Å; G21-A24 PolarHBondContact O-N 3.03Å; G21-A25 WeakPolarHBondContact O-CB 3.4Å; G21-A25 PolarHBondContact O-N 2.91Å
22	G	92.7	Very high	93	Very high	10 Å²	10	60.9 Å²	60.9	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-43.9	173.8	0	0	0	0	0	112.1	D19 R20 A25 Y26	D19-G22 WeakPolarHBondContact O-CA 3.24Å; D19-G22 PolarHBondContact O-N 3.23Å; R20-G22 VanDerWaalsContact C-N 3.33Å; G22-A25 PolarHBondContact O-N 3.25Å; G22-Y26 WeakPolarHBondContact O-CB 3.48Å; G22-Y26 PolarHBondContact O-N 3.35Å
23	W	93.2	Very high	93.1	Very high	72 Å²	72	60.6 Å²	60.6	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-40.9	178	-63.4	6.9	0	0	0	112.4	L17 D19 R20 Y26 T27 D97 F101	L17-W23 PolarHBondContact O-NE1 3.39Å; D19-W23 PolarHBondContact O-N 3.33Å; R20-W23 PolarHBondContact O-N 3.42Å; W23-Y26 PolarHBondContact O-N 3.17Å; W23-T27 WeakPolarHBondContact O-CB 3.29Å; W23-T27 PolarHBondContact O-N 2.88Å; W23-T27 PolarHBondContact O-OG1 2.86Å; W23-D97 HydrophobicContact CH2-CB 4.14Å; W23-D97 HydrophobicContact CZ2-CB 4.36Å; W23-F101 HydrophobicContact CB-CE1 3.95Å; W23-F101 HydrophobicContact CB-CE2 4.21Å; W23-F101 HydrophobicContact CB-CZ 3.78Å; W23-F101 AromaticContact CD1-CD1 3.93Å; W23-F101 HydrophobicContact CD2-CD1 4.27Å; W23-F101 HydrophobicContact CD2-CD2 4.2Å; W23-F101 HydrophobicContact CD2-CE2 4.49Å; W23-F101 HydrophobicContact CD2-CG 4.08Å; W23-F101 HydrophobicContact CE3-CD2 4.18Å; W23-F101 HydrophobicContact CE3-CG 4.45Å; W23-F101 AromaticContact CG-CD1 3.99Å; W23-F101 HydrophobicContact CG-CD1 3.99Å; W23-F101 HydrophobicContact CG-CD2 4.44Å; W23-F101 AromaticContact CG-CE1 3.91Å; W23-F101 HydrophobicContact CG-CE1 3.91Å; W23-F101 HydrophobicContact CG-CE2 4.37Å; W23-F101 HydrophobicContact CG-CG 4.26Å; W23-F101 HydrophobicContact CG-CZ 4.11Å; W23-F101 HydrophobicContact CZ2-CB 4.45Å
24	A	94.5	Very high	93.2	Very high	61 Å²	61	60.9 Å²	60.9	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-46.4	176.2	0	0	0	0	0	111.3	R20 G21 Y26 T27 A28	R20-A24 WeakPolarHBondContact O-CB 3.35Å; R20-A24 PolarHBondContact O-N 3.06Å; G21-A24 PolarHBondContact O-N 3.03Å; A24-Y26 PolarHBondContact O-N 3.45Å; A24-T27 PolarHBondContact O-N 3.44Å; A24-A28 WeakPolarHBondContact O-CB 3.25Å; A24-A28 PolarHBondContact O-N 2.82Å
25	A	94.8	Very high	93.3	Very high	64 Å²	64	65.1 Å²	65.1	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-43	177.1	0	0	0	0	0	111.9	G21 G22 A28 G29	G21-A25 WeakPolarHBondContact O-CB 3.4Å; G21-A25 PolarHBondContact O-N 2.91Å; G22-A25 PolarHBondContact O-N 3.25Å; A25-A28 PolarHBondContact O-N 3.11Å; A25-G29 PolarHBondContact O-N 3.24Å
26	Y	93.4	Very high	93.5	Very high	50 Å²	50	66.9 Å²	66.9	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-49.9	174.6	172.2	-93.6	0	0	0	111.9	G22 W23 A24 A28 G29 V30 H56 M60 F101 L102	G22-Y26 WeakPolarHBondContact O-CB 3.48Å; G22-Y26 PolarHBondContact O-N 3.35Å; W23-Y26 PolarHBondContact O-N 3.17Å; A24-Y26 PolarHBondContact O-N 3.45Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 3.41Å; Y26-G29 PolarHBondContact O-N 2.74Å; Y26-G29 VanDerWaalsContact O-N 3.13Å; Y26-V30 HydrophobicContact CE1-CG2 4.22Å; Y26-V30 PolarHBondContact O-N 2.68Å; Y26-H56 AromaticContact CE2-NE2 3.95Å; Y26-H56 AromaticContact CZ-NE2 3.55Å; Y26-H56 PolarHBondContact OH-CE1 3.25Å; Y26-H56 PolarHBondContact OH-NE2 2.95Å; Y26-M60 HydrophobicContact CE2-CE 3.8Å; Y26-M60 HydrophobicContact CE2-SD 3.8Å; Y26-F101 AromaticContact CD1-CE1 3.46Å; Y26-F101 HydrophobicContact CD1-CE1 3.46Å; Y26-F101 VanDerWaalsContact CD1-CE1 3.46Å; Y26-F101 AromaticContact CD1-CZ 3.67Å; Y26-F101 HydrophobicContact CD1-CZ 3.67Å; Y26-F101 AromaticContact CE1-CE1 3.93Å; Y26-F101 HydrophobicContact CE1-CE1 3.93Å; Y26-F101 HydrophobicContact CE1-CZ 4.19Å; Y26-F101 HydrophobicContact CG-CE1 4.1Å; Y26-L102 HydrophobicContact CD2-CD2 4.47Å; Y26-L102 HydrophobicContact CE2-CD2 4.03Å
27	T	92.9	Very high	93.8	Very high	70 Å²	70	63.2 Å²	63.2	43%	0.429	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-44.4	179.8	-54.6	0	0	0	0	110.9	W23 A24 G29 V30 M31	W23-T27 WeakPolarHBondContact O-CB 3.29Å; W23-T27 PolarHBondContact O-N 2.88Å; W23-T27 PolarHBondContact O-OG1 2.86Å; A24-T27 PolarHBondContact O-N 3.44Å; T27-G29 VanDerWaalsContact C-N 3.32Å; T27-G29 PolarHBondContact O-N 3.31Å; T27-V30 PolarHBondContact O-N 3.05Å; T27-M31 WeakPolarHBondContact O-CG 3.28Å; T27-M31 PolarHBondContact O-N 3.12Å; T27-M31 VanDerWaalsContact O-N 3.1Å
28	A	95.2	Very high	93.9	Very high	54 Å²	54	68.1 Å²	68.1	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-41.6	174.9	0	0	0	0	0	111.8	A24 A25 Y26 V30 M31 V32	A24-A28 WeakPolarHBondContact O-CB 3.25Å; A24-A28 PolarHBondContact O-N 2.82Å; A25-A28 PolarHBondContact O-N 3.11Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 3.41Å; A28-V30 PolarHBondContact O-N 3.26Å; A28-M31 PolarHBondContact O-N 3.02Å; A28-V32 WeakPolarHBondContact O-CG2 3.28Å; A28-V32 PolarHBondContact O-N 2.89Å
29	G	95.4	Very high	94.2	Very high	41 Å²	41	72.2 Å²	72.2	42%	0.423	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-43.2	176.3	0	0	0	0	0	113.1	A25 Y26 T27 V32 L33	A25-G29 PolarHBondContact O-N 3.24Å; Y26-G29 PolarHBondContact O-N 2.74Å; Y26-G29 VanDerWaalsContact O-N 3.13Å; T27-G29 VanDerWaalsContact C-N 3.32Å; T27-G29 PolarHBondContact O-N 3.31Å; G29-V32 PolarHBondContact O-N 2.92Å; G29-L33 WeakPolarHBondContact O-CB 3.43Å; G29-L33 PolarHBondContact O-N 3.48Å
30	V	94.1	Very high	94.3	Very high	35 Å²	35	72.4 Å²	72.4	21%	0.212	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-40.5	175.1	177.7	0	0	0	0	111.4	Y26 T27 A28 L33 H34	Y26-V30 HydrophobicContact CE1-CG2 4.22Å; Y26-V30 PolarHBondContact O-N 2.68Å; T27-V30 PolarHBondContact O-N 3.05Å; A28-V30 PolarHBondContact O-N 3.26Å; V30-L33 WeakPolarHBondContact O-CB 3.43Å; V30-L33 PolarHBondContact O-N 2.91Å; V30-H34 PolarHBondContact O-N 2.87Å
31	M	93.9	Very high	94.4	Very high	90 Å²	90	65 Å²	65	44%	0.443	39%	0.389	S	S	.	.	H	α-helix	trans	-66.6	-40.5	177	-66.2	-54.3	-61.1	0	0	112.3	T27 A28 H34 L35 W49	T27-M31 WeakPolarHBondContact O-CG 3.28Å; T27-M31 PolarHBondContact O-N 3.12Å; T27-M31 VanDerWaalsContact O-N 3.1Å; A28-M31 PolarHBondContact O-N 3.02Å; M31-H34 WeakPolarHBondContact O-CB 3.09Å; M31-H34 PolarHBondContact O-N 3.14Å; M31-L35 VanDerWaalsContact O-CG 3.31Å; M31-L35 WeakPolarHBondContact O-CG 3.36Å; M31-L35 PolarHBondContact O-N 2.94Å; M31-W49 HydrophobicContact SD-CH2 4.49Å
32	V	96.5	Very high	94.1	Very high	87 Å²	87	67.8 Å²	67.8	53%	0.527	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-44.4	174.3	171.2	0	0	0	0	110.6	A28 G29 H34 L35 V36	A28-V32 WeakPolarHBondContact O-CG2 3.28Å; A28-V32 PolarHBondContact O-N 2.89Å; G29-V32 PolarHBondContact O-N 2.92Å; V32-H34 VanDerWaalsContact C-N 3.31Å; V32-H34 PolarHBondContact O-N 3.06Å; V32-L35 PolarHBondContact O-N 2.91Å; V32-V36 HydrophobicContact CG1-CG2 4.32Å; V32-V36 WeakPolarHBondContact O-CG2 3.23Å; V32-V36 PolarHBondContact O-N 3.31Å
33	L	95	Very high	94	Very high	39 Å²	39	69 Å²	69	20%	0.204	40%	0.404	C	S	.	.	H	α-helix	trans	-54.9	-48.2	174	177.2	65.7	0	0	0	111.1	G29 V30 L35 V36 L37 T52 L55 H56	G29-L33 WeakPolarHBondContact O-CB 3.43Å; G29-L33 PolarHBondContact O-N 3.48Å; V30-L33 WeakPolarHBondContact O-CB 3.43Å; V30-L33 PolarHBondContact O-N 2.91Å; L33-L35 PolarHBondContact O-N 3.4Å; L33-V36 PolarHBondContact O-N 3.27Å; L33-L37 HydrophobicContact CD1-CD1 4.35Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.6Å; L33-T52 HydrophobicContact CD2-CG2 4.43Å; L33-L55 HydrophobicContact CD1-CD2 3.87Å; L33-H56 HydrophobicContact CD2-CB 4.27Å
34	H	93.8	Very high	93.8	Very high	16 Å²	16	70.2 Å²	70.2	7%	0.074	42%	0.421	C	S	.	.	H	α-helix	trans	-59	-45.8	177.4	-177.5	76.9	0	0	0	112.3	V30 M31 V32 L37 R38 W49 T52	V30-H34 PolarHBondContact O-N 2.87Å; M31-H34 WeakPolarHBondContact O-CB 3.09Å; M31-H34 PolarHBondContact O-N 3.14Å; V32-H34 VanDerWaalsContact C-N 3.31Å; V32-H34 PolarHBondContact O-N 3.06Å; H34-L37 PolarHBondContact O-N 3.17Å; H34-R38 WeakPolarHBondContact O-CB 3.4Å; H34-R38 PolarHBondContact O-N 2.92Å; H34-W49 AromaticContact CE1-CD1 3.84Å; H34-W49 AromaticContact CE1-CD2 3.34Å; H34-W49 AromaticContact CE1-CE2 3.3Å; H34-W49 AromaticContact CE1-CE3 3.78Å; H34-W49 AromaticContact CE1-CG 3.7Å; H34-W49 AromaticContact CE1-CZ2 3.72Å; H34-W49 AromaticContact CE1-NE1 3.6Å; H34-W49 AromaticContact ND1-CD2 3.68Å; H34-W49 AromaticContact ND1-CE2 3.92Å; H34-W49 AromaticContact ND1-CE3 3.61Å; H34-W49 AromaticContact ND1-CZ3 3.78Å; H34-W49 AromaticContact NE2-CE2 3.67Å; H34-W49 AromaticContact NE2-CZ2 3.75Å; H34-W49 AromaticContact NE2-NE1 3.88Å; H34-T52 HydrophobicContact CB-CG2 3.94Å; H34-T52 PolarHBondContact ND1-OG1 3.24Å
35	L	94.8	Very high	93.5	Very high	102 Å²	102	70.4 Å²	70.4	53%	0.534	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-44.5	178.7	-70.4	172.5	0	0	0	111.6	M31 V32 L33 L37 R38 L39	M31-L35 VanDerWaalsContact O-CG 3.31Å; M31-L35 WeakPolarHBondContact O-CG 3.36Å; M31-L35 PolarHBondContact O-N 2.94Å; V32-L35 PolarHBondContact O-N 2.91Å; L33-L35 PolarHBondContact O-N 3.4Å; L35-L37 PolarHBondContact O-N 2.98Å; L35-R38 WeakPolarHBondContact O-CB 3.42Å; L35-R38 PolarHBondContact O-N 3.49Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.49Å
36	V	96.5	Very high	93.1	Very high	75 Å²	75	71.6 Å²	71.6	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-46.7	176	171.9	0	0	0	0	110.6	V32 L33 R38 L39 V40	V32-V36 HydrophobicContact CG1-CG2 4.32Å; V32-V36 WeakPolarHBondContact O-CG2 3.23Å; V32-V36 PolarHBondContact O-N 3.31Å; L33-V36 PolarHBondContact O-N 3.27Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.19Å; V36-L39 PolarHBondContact O-N 2.51Å; V36-V40 HydrophobicContact CG1-CG2 4.31Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.01Å
37	L	95.4	Very high	93	Very high	26 Å²	26	74 Å²	74	14%	0.136	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-38.5	176.6	-71.7	175.6	0	0	0	112.3	L33 H34 L35 L39 V40 L41 V48 L55	L33-L37 HydrophobicContact CD1-CD1 4.35Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.6Å; H34-L37 PolarHBondContact O-N 3.17Å; L35-L37 PolarHBondContact O-N 2.98Å; L37-L39 VanDerWaalsContact C-N 3.29Å; L37-L39 PolarHBondContact O-N 3.16Å; L37-V40 PolarHBondContact O-N 3.02Å; L37-L41 HydrophobicContact CB-CD1 4.35Å; L37-L41 HydrophobicContact CD2-CD1 4.3Å; L37-L41 VanDerWaalsContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CB 3.1Å; L37-L41 WeakPolarHBondContact O-CG 3.5Å; L37-L41 PolarHBondContact O-N 3.16Å; L37-V48 HydrophobicContact CB-CG1 4.05Å; L37-L55 HydrophobicContact CD1-CD2 4.21Å; L37-L55 HydrophobicContact CD2-CD2 4.13Å
38	R	93.8	Very high	93	Very high	109 Å²	109	70.7 Å²	70.7	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-41.7	175.3	178.4	59.7	-179.5	-176.4	9.5	111.6	H34 L35 V36 T43 V48	H34-R38 WeakPolarHBondContact O-CB 3.4Å; H34-R38 PolarHBondContact O-N 2.92Å; L35-R38 WeakPolarHBondContact O-CB 3.42Å; L35-R38 PolarHBondContact O-N 3.49Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.19Å; R38-T43 PolarHBondContact NH1-O 3.1Å; R38-V48 HydrophobicContact CB-CG1 3.96Å
39	L	95	Very high	92.8	Very high	137 Å²	137	70.6 Å²	70.6	72%	0.717	39%	0.392	S	S	*	.	H	α-helix	trans	-72.5	-38.2	-180	-66.3	173.3	0	0	0	112.4	L35 V36 L37	L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.49Å; V36-L39 PolarHBondContact O-N 2.51Å; L37-L39 VanDerWaalsContact C-N 3.29Å; L37-L39 PolarHBondContact O-N 3.16Å
40	V	94.3	Very high	92.6	Very high	108 Å²	108	69.1 Å²	69.1	66%	0.655	38%	0.375	S	S	*	.	H	α-helix	trans	-80.2	-43.7	-176.2	173.2	0	0	0	0	112.5	V36 L37	V36-V40 HydrophobicContact CG1-CG2 4.31Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.01Å; L37-V40 PolarHBondContact O-N 3.02Å
41	L	92.9	Very high	92.5	Very high	67 Å²	67	68.6 Å²	68.6	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-80.8	-24	-172.2	-66.3	172.8	0	0	0	113.1	L37 T43 F47 A51	L37-L41 HydrophobicContact CB-CD1 4.35Å; L37-L41 HydrophobicContact CD2-CD1 4.3Å; L37-L41 VanDerWaalsContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CB 3.1Å; L37-L41 WeakPolarHBondContact O-CG 3.5Å; L37-L41 PolarHBondContact O-N 3.16Å; L41-T43 HydrophobicContact CB-CG2 4.25Å; L41-T43 WeakPolarHBondContact O-CG2 3.32Å; L41-T43 PolarHBondContact O-N 3.31Å; L41-F47 HydrophobicContact CD1-CD1 4.28Å; L41-F47 HydrophobicContact CD1-CE1 4.08Å; L41-A51 HydrophobicContact CD1-CB 3.95Å
42	C	89.1	Confident	92.5	Very high	110 Å²	110	64.3 Å²	64.3	74%	0.743	35%	0.353	S	S	*	.			trans	51.6	23.7	-177.7	-65.9	0	0	0	0	114.5
43	T	89.5	Confident	92.3	Very high	36 Å²	36	60.9 Å²	60.9	22%	0.221	33%	0.332	C	S	.	.			trans	-95.5	167.7	-177.6	51.8	0	0	0	0	112.5	R38 L41 F47 V48	R38-T43 PolarHBondContact NH1-O 3.1Å; L41-T43 HydrophobicContact CB-CG2 4.25Å; L41-T43 WeakPolarHBondContact O-CG2 3.32Å; L41-T43 PolarHBondContact O-N 3.31Å; T43-F47 HydrophobicContact CG2-CD1 3.79Å; T43-F47 HydrophobicContact CG2-CE1 4.2Å; T43-F47 HydrophobicContact CG2-CG 4.32Å; T43-F47 VanDerWaalsContact OG1-CD1 3.29Å; T43-F47 WeakPolarHBondContact OG1-CD1 3.48Å; T43-V48 VanDerWaalsContact OG1-CG2 3.31Å; T43-V48 WeakPolarHBondContact OG1-CG2 3.28Å
44	P	89.3	Confident	92.2	Very high	98 Å²	98	61.7 Å²	61.7	64%	0.636	34%	0.338	S	S	*	.			trans	-55.2	153	170.4	-25.9	35.7	0	0	0	113.4	Q46 F47 V48	P44-Q46 PolarHBondContact O-N 3.27Å; P44-Q46 VanDerWaalsContact O-N 3.14Å; P44-F47 PolarHBondContact O-N 3Å; P44-F47 VanDerWaalsContact O-N 3.11Å; P44-V48 PolarHBondContact O-N 3.03Å
45	C	88.1	Confident	92.2	Very high	64 Å²	64	63.7 Å²	63.7	43%	0.432	35%	0.349	S	S	.	.	H	α-helix	trans	-53.8	-38.7	-172.8	-174.2	0	0	0	0	113.3	F47 V48 W49	C45-F47 PolarHBondContact O-N 3.41Å; C45-V48 PolarHBondContact O-N 2.93Å; C45-W49 VanDerWaalsContact O-CD1 3.32Å; C45-W49 PolarHBondContact O-N 2.88Å; C45-W49 PolarHBondContact SG-NE1 3.04Å
46	Q	87.4	Confident	92.2	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-40.8	-178.8	-52.4	-176.7	-6.1	0	0	112.8	P44 T50 Y110	P44-Q46 PolarHBondContact O-N 3.27Å; P44-Q46 VanDerWaalsContact O-N 3.14Å; Q46-T50 PolarHBondContact O-N 3.41Å; Q46-T50 VanDerWaalsContact O-N 3.08Å; Q46-T50 PolarHBondContact O-OG1 3.3Å; Q46-Y110 HydrophobicContact CB-CD1 4.1Å; Q46-Y110 HydrophobicContact CB-CE1 4.05Å; Q46-Y110 HydrophobicContact CB-CE2 4.41Å; Q46-Y110 HydrophobicContact CB-CG 4.44Å; Q46-Y110 HydrophobicContact CG-CD1 3.69Å; Q46-Y110 HydrophobicContact CG-CE1 3.56Å; Q46-Y110 HydrophobicContact CG-CG 4.49Å
47	F	90.1	Very high	92	Very high	100 Å²	100	57.3 Å²	57.3	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-42.3	176.9	-172.8	-90.3	0	0	0	110.7	L41 T43 P44 C45 W49 T50 A51	L41-F47 HydrophobicContact CD1-CD1 4.28Å; L41-F47 HydrophobicContact CD1-CE1 4.08Å; T43-F47 HydrophobicContact CG2-CD1 3.79Å; T43-F47 HydrophobicContact CG2-CE1 4.2Å; T43-F47 HydrophobicContact CG2-CG 4.32Å; T43-F47 VanDerWaalsContact OG1-CD1 3.29Å; T43-F47 WeakPolarHBondContact OG1-CD1 3.48Å; P44-F47 PolarHBondContact O-N 3Å; P44-F47 VanDerWaalsContact O-N 3.11Å; C45-F47 PolarHBondContact O-N 3.41Å; F47-W49 PolarHBondContact O-N 3.43Å; F47-T50 PolarHBondContact O-N 2.92Å; F47-A51 WeakPolarHBondContact O-CB 3.32Å; F47-A51 PolarHBondContact O-N 3.22Å
48	V	92.3	Very high	92	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-43.4	178.5	-175.6	0	0	0	0	111.1	L37 R38 T43 P44 C45 A51 T52	L37-V48 HydrophobicContact CB-CG1 4.05Å; R38-V48 HydrophobicContact CB-CG1 3.96Å; T43-V48 VanDerWaalsContact OG1-CG2 3.31Å; T43-V48 WeakPolarHBondContact OG1-CG2 3.28Å; P44-V48 PolarHBondContact O-N 3.03Å; C45-V48 PolarHBondContact O-N 2.93Å; V48-A51 PolarHBondContact O-N 2.95Å; V48-T52 WeakPolarHBondContact O-CB 3.26Å; V48-T52 PolarHBondContact O-N 2.95Å; V48-T52 PolarHBondContact O-OG1 3.01Å
49	W	91	Very high	92	Very high	53 Å²	53	60.6 Å²	60.6	20%	0.201	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-43.9	175	-82.7	114.6	0	0	0	112.7	M31 H34 C45 F47 A51 T52 N53 Y110	M31-W49 HydrophobicContact SD-CH2 4.49Å; H34-W49 AromaticContact CE1-CD1 3.84Å; H34-W49 AromaticContact CE1-CD2 3.34Å; H34-W49 AromaticContact CE1-CE2 3.3Å; H34-W49 AromaticContact CE1-CE3 3.78Å; H34-W49 AromaticContact CE1-CG 3.7Å; H34-W49 AromaticContact CE1-CZ2 3.72Å; H34-W49 AromaticContact CE1-NE1 3.6Å; H34-W49 AromaticContact ND1-CD2 3.68Å; H34-W49 AromaticContact ND1-CE2 3.92Å; H34-W49 AromaticContact ND1-CE3 3.61Å; H34-W49 AromaticContact ND1-CZ3 3.78Å; H34-W49 AromaticContact NE2-CE2 3.67Å; H34-W49 AromaticContact NE2-CZ2 3.75Å; H34-W49 AromaticContact NE2-NE1 3.88Å; C45-W49 VanDerWaalsContact O-CD1 3.32Å; C45-W49 PolarHBondContact O-N 2.88Å; C45-W49 PolarHBondContact SG-NE1 3.04Å; F47-W49 PolarHBondContact O-N 3.43Å; W49-A51 PolarHBondContact O-N 3.5Å; W49-T52 WeakPolarHBondContact O-CB 3.14Å; W49-T52 PolarHBondContact O-N 3.1Å; W49-N53 PolarHBondContact O-N 3.07Å; W49-Y110 HydrophobicContact CB-CE2 4.17Å; W49-Y110 VanDerWaalsContact CD1-OH 3.3Å
50	T	91.5	Very high	91.9	Very high	9 Å²	9	55 Å²	55	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-45.5	176.5	-55.7	0	0	0	0	111.1	Q46 F47 T52 N53 V54 H114 I117	Q46-T50 PolarHBondContact O-N 3.41Å; Q46-T50 VanDerWaalsContact O-N 3.08Å; Q46-T50 PolarHBondContact O-OG1 3.3Å; F47-T50 PolarHBondContact O-N 2.92Å; T50-T52 VanDerWaalsContact C-N 3.32Å; T50-T52 PolarHBondContact O-N 3.44Å; T50-N53 PolarHBondContact O-N 2.98Å; T50-V54 HydrophobicContact CG2-CG2 4.5Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.07Å; T50-H114 PolarHBondContact OG1-ND1 3.33Å; T50-I117 HydrophobicContact CG2-CB 4.19Å; T50-I117 HydrophobicContact CG2-CG2 3.68Å
51	A	92.5	Very high	91.9	Very high	24 Å²	24	52.7 Å²	52.7	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-40.2	175.8	0	0	0	0	0	111.8	L41 F47 V48 W49 V54 L55	L41-A51 HydrophobicContact CD1-CB 3.95Å; F47-A51 WeakPolarHBondContact O-CB 3.32Å; F47-A51 PolarHBondContact O-N 3.22Å; V48-A51 PolarHBondContact O-N 2.95Å; W49-A51 PolarHBondContact O-N 3.5Å; A51-V54 PolarHBondContact O-N 2.96Å; A51-L55 VanDerWaalsContact O-CB 3.23Å; A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 PolarHBondContact O-N 2.81Å
52	T	93.9	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-50.3	175.9	-55.2	0	0	0	0	110.3	L33 H34 V48 W49 T50 L55 H56	L33-T52 HydrophobicContact CD2-CG2 4.43Å; H34-T52 HydrophobicContact CB-CG2 3.94Å; H34-T52 PolarHBondContact ND1-OG1 3.24Å; V48-T52 WeakPolarHBondContact O-CB 3.26Å; V48-T52 PolarHBondContact O-N 2.95Å; V48-T52 PolarHBondContact O-OG1 3.01Å; W49-T52 WeakPolarHBondContact O-CB 3.14Å; W49-T52 PolarHBondContact O-N 3.1Å; T50-T52 VanDerWaalsContact C-N 3.32Å; T50-T52 PolarHBondContact O-N 3.44Å; T52-L55 PolarHBondContact O-N 2.61Å; T52-H56 WeakPolarHBondContact O-CB 3.48Å; T52-H56 PolarHBondContact O-N 3.27Å
53	N	91.6	Very high	92.3	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-46.2	-179.7	-71.9	-14.9	0	0	0	112	W49 T50 N57 N118	W49-N53 PolarHBondContact O-N 3.07Å; T50-N53 PolarHBondContact O-N 2.98Å; N53-N57 VanDerWaalsContact O-CB 3.27Å; N53-N57 WeakPolarHBondContact O-CB 3.49Å; N53-N57 PolarHBondContact O-N 3.45Å; N53-N57 PolarHBondContact O-ND2 3.22Å; N53-N118 WeakPolarHBondContact CB-OD1 3.2Å; N53-N118 PolarHBondContact ND2-OD1 2.91Å
54	V	92.7	Very high	92.6	Very high	56 Å²	56	48.5 Å²	48.5	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-47.6	179.8	172.1	0	0	0	0	110.9	T50 A51 N57 M58 I117	T50-V54 HydrophobicContact CG2-CG2 4.5Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.07Å; A51-V54 PolarHBondContact O-N 2.96Å; V54-N57 PolarHBondContact O-N 3.03Å; V54-M58 WeakPolarHBondContact O-CB 3.28Å; V54-M58 PolarHBondContact O-N 2.89Å; V54-I117 HydrophobicContact CG2-CG2 3.69Å
55	L	94.4	Very high	92.8	Very high	58 Å²	58	45 Å²	45	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-43.2	179.8	-178.8	56.7	0	0	0	111.4	L33 L37 A51 T52 M58 L59	L33-L55 HydrophobicContact CD1-CD2 3.87Å; L37-L55 HydrophobicContact CD1-CD2 4.21Å; L37-L55 HydrophobicContact CD2-CD2 4.13Å; A51-L55 VanDerWaalsContact O-CB 3.23Å; A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 PolarHBondContact O-N 2.81Å; T52-L55 PolarHBondContact O-N 2.61Å; L55-M58 PolarHBondContact O-N 2.9Å; L55-L59 HydrophobicContact CD1-CD1 4.25Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.11Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CB 3.39Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 3.11Å
56	H	94.2	Very high	93.1	Very high	30 Å²	30	46.5 Å²	46.5	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.6	169.8	-98	0	0	0	111.5	Y26 L33 T52 M58 L59 M60	Y26-H56 AromaticContact CE2-NE2 3.95Å; Y26-H56 AromaticContact CZ-NE2 3.55Å; Y26-H56 PolarHBondContact OH-CE1 3.25Å; Y26-H56 PolarHBondContact OH-NE2 2.95Å; L33-H56 HydrophobicContact CD2-CB 4.27Å; T52-H56 WeakPolarHBondContact O-CB 3.48Å; T52-H56 PolarHBondContact O-N 3.27Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 PolarHBondContact O-N 3.29Å; H56-L59 PolarHBondContact O-N 3.25Å; H56-M60 WeakPolarHBondContact NE2-CG 3.17Å; H56-M60 WeakPolarHBondContact O-CB 3.41Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.28Å; H56-M60 PolarHBondContact O-N 3.48Å
57	N	93.4	Very high	93.5	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40.5	178.1	-75.6	-24.8	0	0	0	112.1	N53 V54 M60 Y61 S121 V125	N53-N57 VanDerWaalsContact O-CB 3.27Å; N53-N57 WeakPolarHBondContact O-CB 3.49Å; N53-N57 PolarHBondContact O-N 3.45Å; N53-N57 PolarHBondContact O-ND2 3.22Å; V54-N57 PolarHBondContact O-N 3.03Å; N57-M60 PolarHBondContact O-N 2.8Å; N57-Y61 WeakPolarHBondContact O-CB 3.25Å; N57-Y61 PolarHBondContact O-N 2.53Å; N57-S121 VanDerWaalsContact CB-OG 3.3Å; N57-S121 WeakPolarHBondContact CB-OG 3.27Å; N57-S121 PolarHBondContact ND2-OG 2.83Å; N57-V125 HydrophobicContact CB-CB 4.35Å; N57-V125 HydrophobicContact CB-CG1 4.3Å
58	M	94.2	Very high	93.8	Very high	125 Å²	125	43.8 Å²	43.8	62%	0.616	22%	0.222	S	C	*	.	H	α-helix	trans	-62.8	-49	175.4	-178.7	179.9	172	0	0	111.5	V54 L55 H56 M60 Y61 V62	V54-M58 WeakPolarHBondContact O-CB 3.28Å; V54-M58 PolarHBondContact O-N 2.89Å; L55-M58 PolarHBondContact O-N 2.9Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 PolarHBondContact O-N 3.29Å; M58-M60 VanDerWaalsContact C-N 3.35Å; M58-M60 PolarHBondContact O-N 2.76Å; M58-Y61 WeakPolarHBondContact O-CB 3.19Å; M58-Y61 PolarHBondContact O-N 3.36Å; M58-V62 WeakPolarHBondContact O-CG2 3.3Å; M58-V62 PolarHBondContact O-N 3.31Å; M58-V62 VanDerWaalsContact O-N 3.11Å
59	L	95	Very high	93.8	Very high	78 Å²	78	44.4 Å²	44.4	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-42.6	177.5	-70.2	173.9	0	0	0	111.5	L55 H56 Y61 V62 I63	L55-L59 HydrophobicContact CD1-CD1 4.25Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.11Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CB 3.39Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 3.11Å; H56-L59 PolarHBondContact O-N 3.25Å; L59-Y61 VanDerWaalsContact C-N 3.32Å; L59-Y61 PolarHBondContact O-N 2.91Å; L59-V62 PolarHBondContact O-N 3.48Å; L59-I63 WeakPolarHBondContact O-CB 3.47Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.02Å
60	M	93.6	Very high	93.9	Very high	20 Å²	20	43.3 Å²	43.3	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-40.4	175.7	-77	-59.6	114.7	0	0	111.9	Y26 H56 N57 M58 I63 M64 V125	Y26-M60 HydrophobicContact CE2-CE 3.8Å; Y26-M60 HydrophobicContact CE2-SD 3.8Å; H56-M60 WeakPolarHBondContact NE2-CG 3.17Å; H56-M60 WeakPolarHBondContact O-CB 3.41Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.28Å; H56-M60 PolarHBondContact O-N 3.48Å; N57-M60 PolarHBondContact O-N 2.8Å; M58-M60 VanDerWaalsContact C-N 3.35Å; M58-M60 PolarHBondContact O-N 2.76Å; M60-I63 HydrophobicContact CE-CD1 4.19Å; M60-I63 PolarHBondContact O-N 3.03Å; M60-M64 WeakPolarHBondContact O-CB 3.5Å; M60-M64 WeakPolarHBondContact O-CG 3.42Å; M60-M64 PolarHBondContact O-N 3.23Å; M60-M64 HydrophobicContact SD-CE 4.21Å; M60-V125 HydrophobicContact CB-CG2 4.34Å
61	Y	94.3	Very high	93.9	Very high	60 Å²	60	48 Å²	48	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-46.5	175.6	-178.2	-97.1	0	0	0	111.7	N57 M58 L59 H65 M66 F124 P128	N57-Y61 WeakPolarHBondContact O-CB 3.25Å; N57-Y61 PolarHBondContact O-N 2.53Å; M58-Y61 WeakPolarHBondContact O-CB 3.19Å; M58-Y61 PolarHBondContact O-N 3.36Å; L59-Y61 VanDerWaalsContact C-N 3.32Å; L59-Y61 PolarHBondContact O-N 2.91Å; Y61-H65 HydrophobicContact CD2-CB 4.29Å; Y61-H65 HydrophobicContact CE2-CB 4.19Å; Y61-H65 WeakPolarHBondContact O-CA 3.19Å; Y61-H65 WeakPolarHBondContact O-CB 3.23Å; Y61-H65 PolarHBondContact O-N 3.19Å; Y61-M66 HydrophobicContact CD1-CE 3.88Å; Y61-M66 HydrophobicContact CD1-CG 4.35Å; Y61-M66 HydrophobicContact CE1-CE 3.45Å; Y61-M66 VanDerWaalsContact CE1-CE 3.45Å; Y61-M66 HydrophobicContact CE1-CG 4.12Å; Y61-M66 PolarHBondContact O-N 2.92Å; Y61-F124 AromaticContact CD1-CE1 3.9Å; Y61-F124 HydrophobicContact CD1-CE1 3.9Å; Y61-F124 HydrophobicContact CD1-CZ 4.36Å; Y61-F124 HydrophobicContact CD2-CD1 4.27Å; Y61-F124 AromaticContact CD2-CE1 3.73Å; Y61-F124 HydrophobicContact CD2-CE1 3.73Å; Y61-F124 HydrophobicContact CD2-CZ 4.37Å; Y61-F124 HydrophobicContact CE1-CE1 4.1Å; Y61-F124 HydrophobicContact CE1-CZ 4.1Å; Y61-F124 AromaticContact CE2-CE1 3.96Å; Y61-F124 HydrophobicContact CE2-CE1 3.96Å; Y61-F124 HydrophobicContact CE2-CZ 4.13Å; Y61-F124 HydrophobicContact CG-CD1 4.44Å; Y61-F124 AromaticContact CG-CE1 3.7Å; Y61-F124 HydrophobicContact CG-CE1 3.7Å; Y61-F124 HydrophobicContact CG-CZ 4.48Å; Y61-F124 AromaticContact CZ-CZ 3.99Å; Y61-P128 HydrophobicContact CD2-CG 4.33Å; Y61-P128 HydrophobicContact CE2-CG 3.86Å
62	V	95.5	Very high	93.6	Very high	51 Å²	51	53 Å²	53	31%	0.309	28%	0.275	S	S	.	.	I	π-helix	trans	-60.1	-53.6	177.1	175.3	0	0	0	0	110.6	M58 L59 M64 M66 I67	M58-V62 WeakPolarHBondContact O-CG2 3.3Å; M58-V62 PolarHBondContact O-N 3.31Å; M58-V62 VanDerWaalsContact O-N 3.11Å; L59-V62 PolarHBondContact O-N 3.48Å; V62-M64 PolarHBondContact O-N 3.27Å; V62-M66 HydrophobicContact CB-SD 4.44Å; V62-M66 HydrophobicContact CG1-CB 4.46Å; V62-M66 HydrophobicContact CG1-SD 4.42Å; V62-M66 HydrophobicContact CG2-SD 3.98Å; V62-M66 WeakPolarHBondContact O-CA 3.45Å; V62-M66 VanDerWaalsContact O-CB 3.28Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 PolarHBondContact O-N 3.23Å; V62-I67 HydrophobicContact CG1-CD1 4.49Å; V62-I67 HydrophobicContact CG1-CG1 4.4Å; V62-I67 PolarHBondContact O-N 2.79Å
63	I	94.6	Very high	93.3	Very high	67 Å²	67	60.9 Å²	60.9	34%	0.344	32%	0.317	S	S	.	.	I	π-helix	trans	-63.3	-43	-175.8	-67.3	165.7	0	0	0	111.7	L59 M60 I67 Y85	L59-I63 WeakPolarHBondContact O-CB 3.47Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.02Å; M60-I63 HydrophobicContact CE-CD1 4.19Å; M60-I63 PolarHBondContact O-N 3.03Å; I63-I67 HydrophobicContact CG1-CD1 4.37Å; I63-Y85 HydrophobicContact CG2-CD1 4.11Å
64	M	94.2	Very high	93.1	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.03	32%	0.32	C	S	.	.	I	π-helix	trans	-86.8	-33.5	-170.9	-64.9	-70.2	171	0	0	113.4	M60 V62 T84 Y85 W86 I89 L102	M60-M64 WeakPolarHBondContact O-CB 3.5Å; M60-M64 WeakPolarHBondContact O-CG 3.42Å; M60-M64 PolarHBondContact O-N 3.23Å; M60-M64 HydrophobicContact SD-CE 4.21Å; V62-M64 PolarHBondContact O-N 3.27Å; M64-T84 VanDerWaalsContact O-CB 3.23Å; M64-T84 WeakPolarHBondContact O-CB 3.25Å; M64-T84 PolarHBondContact O-OG1 3.35Å; M64-Y85 HydrophobicContact CE-CD1 3.78Å; M64-Y85 HydrophobicContact CE-CE1 3.63Å; M64-Y85 HydrophobicContact SD-CD1 3.45Å; M64-Y85 WeakPolarHBondContact SD-CD1 3.36Å; M64-Y85 HydrophobicContact SD-CE1 3.87Å; M64-Y85 HydrophobicContact SD-CG 4.27Å; M64-W86 HydrophobicContact CB-CB 4.2Å; M64-W86 VanDerWaalsContact O-CB 3.24Å; M64-W86 WeakPolarHBondContact O-CB 3.47Å; M64-W86 PolarHBondContact O-N 3.41Å; M64-W86 HydrophobicContact SD-CE3 4.31Å; M64-I89 HydrophobicContact SD-CD1 4.12Å; M64-L102 HydrophobicContact CE-CD1 3.63Å; M64-L102 HydrophobicContact CE-CD2 4.12Å; M64-L102 HydrophobicContact SD-CD1 4.18Å
65	H	95	Very high	93.1	Very high	26 Å²	26	63.8 Å²	63.8	12%	0.12	33%	0.334	C	S	.	.	I	π-helix	trans	-121.6	-15.1	-169.3	-60.9	-68.1	0	0	0	114.6	Y61 T84 W86 P128 N142	Y61-H65 HydrophobicContact CD2-CB 4.29Å; Y61-H65 HydrophobicContact CE2-CB 4.19Å; Y61-H65 WeakPolarHBondContact O-CA 3.19Å; Y61-H65 WeakPolarHBondContact O-CB 3.23Å; Y61-H65 PolarHBondContact O-N 3.19Å; H65-T84 WeakPolarHBondContact O-CG2 3.48Å; H65-W86 AromaticContact CE1-CD1 3.61Å; H65-W86 AromaticContact CE1-CG 3.55Å; H65-P128 PolarHBondContact CE1-O 2.91Å; H65-N142 PolarHBondContact O-ND2 3.13Å
66	M	94.6	Very high	92.8	Very high	95 Å²	95	61.9 Å²	61.9	47%	0.468	32%	0.324	S	S	.	.	I	π-helix	trans	-100.1	-47.7	172.7	-61.5	-170.1	172.3	0	0	112.2	Y61 V62 K68 N142	Y61-M66 HydrophobicContact CD1-CE 3.88Å; Y61-M66 HydrophobicContact CD1-CG 4.35Å; Y61-M66 HydrophobicContact CE1-CE 3.45Å; Y61-M66 VanDerWaalsContact CE1-CE 3.45Å; Y61-M66 HydrophobicContact CE1-CG 4.12Å; Y61-M66 PolarHBondContact O-N 2.92Å; V62-M66 HydrophobicContact CB-SD 4.44Å; V62-M66 HydrophobicContact CG1-CB 4.46Å; V62-M66 HydrophobicContact CG1-SD 4.42Å; V62-M66 HydrophobicContact CG2-SD 3.98Å; V62-M66 WeakPolarHBondContact O-CA 3.45Å; V62-M66 VanDerWaalsContact O-CB 3.28Å; V62-M66 WeakPolarHBondContact O-CB 3.44Å; V62-M66 PolarHBondContact O-N 3.23Å; M66-K68 PolarHBondContact O-N 3.39Å; M66-N142 PolarHBondContact O-ND2 3.46Å
67	I	95.2	Very high	92.7	Very high	91 Å²	91	70 Å²	70	47%	0.467	36%	0.363	S	S	.	.			trans	-70	130.6	-177.6	-58.7	180	0	0	0	110.2	V62 I63 T84 Y85	V62-I67 HydrophobicContact CG1-CD1 4.49Å; V62-I67 HydrophobicContact CG1-CG1 4.4Å; V62-I67 PolarHBondContact O-N 2.79Å; I63-I67 HydrophobicContact CG1-CD1 4.37Å; I67-T84 VanDerWaalsContact O-CA 3.28Å; I67-T84 WeakPolarHBondContact O-CA 3.49Å; I67-Y85 PolarHBondContact O-N 3.16Å
68	K	95.2	Very high	92.6	Very high	41 Å²	41	70.8 Å²	70.8	18%	0.178	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-116.8	163.2	178.3	-71.6	176.9	172.3	174.2	0	112.3	M66 R82 L83 T84 N142 K143 Y144	M66-K68 PolarHBondContact O-N 3.39Å; K68-R82 WeakPolarHBondContact CE-O 3.21Å; K68-L83 VanDerWaalsContact CA-O 3.28Å; K68-L83 WeakPolarHBondContact CA-O 3.44Å; K68-T84 HydrophobicContact CG-CG2 4.16Å; K68-N142 WeakPolarHBondContact CE-O 3.31Å; K68-N142 VanDerWaalsContact CE-OD1 3.24Å; K68-N142 WeakPolarHBondContact CE-OD1 3.13Å; K68-N142 VanDerWaalsContact NZ-C 3.35Å; K68-N142 PolarHBondContact NZ-O 3.47Å; K68-N142 PolarHBondContact NZ-OD1 2.72Å; K68-K143 PolarHBondContact NZ-O 2.71Å; K68-K143 VanDerWaalsContact NZ-O 3.12Å; K68-Y144 PolarHBondContact NZ-O 3.03Å; K68-Y144 PolarHBondContact NZ-OXT 3.09Å
69	G	94.1	Very high	92.4	Very high	14 Å²	14	72.1 Å²	72.1	14%	0.144	38%	0.378	C	S	.	.	S	Bend	trans	75.8	-164.7	-178.6	0	0	0	0	0	111.6	N13 S80 L83 Q88	N13-G69 PolarHBondContact ND2-O 2.66Å; G69-S80 WeakPolarHBondContact CA-O 3.43Å; G69-S80 PolarHBondContact N-O 3.37Å; G69-L83 PolarHBondContact N-O 3.5Å; G69-L83 VanDerWaalsContact N-O 3.11Å; G69-Q88 PolarHBondContact O-NE2 3.14Å
70	A	92.8	Very high	92.3	Very high	30 Å²	30	68.7 Å²	68.7	25%	0.248	36%	0.361	C	S	.	.			trans	-131.5	149.8	177.3	0	0	0	0	0	109.3	N13 W72 N74	N13-A70 HydrophobicContact CB-CB 3.74Å; A70-W72 PolarHBondContact O-N 3.32Å; A70-N74 WeakPolarHBondContact CB-ND2 3.33Å
71	P	90.5	Very high	92.3	Very high	106 Å²	106	76.7 Å²	76.7	69%	0.688	39%	0.39	S	S	*	.	S	Bend	trans	-74.5	-6.4	171.8	32.2	-34.6	0	0	0	112.6
72	W	87.5	Confident	92.2	Very high	129 Å²	129	81.3 Å²	81.3	49%	0.489	41%	0.407	S	S	.	.	S	Bend	trans	-95.8	156.9	-177.2	-34.7	109.2	0	0	0	111.6	P12 N13 A70 N74	P12-W72 HydrophobicContact CB-CG 4.15Å; P12-W72 HydrophobicContact CG-CB 4.43Å; N13-W72 VanDerWaalsContact N-CD1 3.32Å; A70-W72 PolarHBondContact O-N 3.32Å; W72-N74 PolarHBondContact O-N 2.98Å
73	L	86.8	Confident	92.2	Very high	167 Å²	167	80.7 Å²	80.7	87%	0.874	40%	0.402	S	S	*	.			trans	-74.7	108.8	166.2	-178	64.9	0	0	0	108.9
74	N	88.4	Confident	92.3	Very high	28 Å²	28	77.6 Å²	77.6	15%	0.15	39%	0.386	C	S	.	.			trans	-92.4	147.6	-179.5	-65.8	-13	0	0	0	111.6	S10 N11 P12 A70 W72 D76 S80	S10-N74 WeakPolarHBondContact O-CA 3.39Å; S10-N74 WeakPolarHBondContact O-CB 3.04Å; N11-N74 PolarHBondContact OD1-ND2 3.41Å; N11-N74 PolarHBondContact OD1-OD1 2.81Å; P12-N74 WeakPolarHBondContact CD-OD1 3.49Å; A70-N74 WeakPolarHBondContact CB-ND2 3.33Å; W72-N74 PolarHBondContact O-N 2.98Å; N74-D76 HydrophobicContact CB-CB 4.45Å; N74-D76 WeakPolarHBondContact CB-OD1 3.46Å; N74-S80 PolarHBondContact ND2-OG 3.09Å
75	T	90.9	Very high	92.3	Very high	105 Å²	105	78.1 Å²	78.1	64%	0.644	39%	0.388	S	S	*	.	S	Bend	trans	-100.2	12.7	172	58.9	0	0	0	0	112.4	S10 Q77	S10-T75 WeakPolarHBondContact CA-OG1 3.4Å; S10-T75 PolarHBondContact O-N 3.49Å; T75-Q77 PolarHBondContact O-N 2.81Å
76	D	89.4	Confident	92.4	Very high	17 Å²	17	77 Å²	77	9%	0.091	38%	0.383	C	S	.	.	S	Bend	trans	-79.8	13.1	-178.4	74.1	-13.4	0	0	0	114.6	N74 G78 E79 S80	N74-D76 HydrophobicContact CB-CB 4.45Å; N74-D76 WeakPolarHBondContact CB-OD1 3.46Å; D76-G78 PolarHBondContact O-N 3.15Å; D76-G78 PolarHBondContact OD1-N 3.26Å; D76-E79 HydrophobicContact CB-CB 4.25Å; D76-E79 VanDerWaalsContact O-CG 3.31Å; D76-E79 WeakPolarHBondContact O-CG 3.34Å; D76-E79 PolarHBondContact O-N 2.93Å; D76-E79 VanDerWaalsContact O-N 3.1Å; D76-S80 WeakPolarHBondContact OD2-CA 3.41Å; D76-S80 WeakPolarHBondContact OD2-CB 3.39Å; D76-S80 PolarHBondContact OD2-N 3.43Å; D76-S80 PolarHBondContact OD2-OG 2.87Å
77	Q	91.5	Very high	92.5	Very high	202 Å²	202	72.9 Å²	72.9	94%	0.944	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.2	-177.6	-55.3	-176	11.6	0	0	114.3	T75	T75-Q77 PolarHBondContact O-N 2.81Å
78	G	91	Very high	92.5	Very high	29 Å²	29	68.7 Å²	68.7	30%	0.299	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	10.6	177.1	0	0	0	0	0	115.2	D76 S80 R81	D76-G78 PolarHBondContact O-N 3.15Å; D76-G78 PolarHBondContact OD1-N 3.26Å; G78-S80 VanDerWaalsContact C-N 3.32Å; G78-S80 PolarHBondContact O-N 3.08Å; G78-R81 WeakPolarHBondContact O-CB 3.14Å; G78-R81 PolarHBondContact O-N 2.91Å; G78-R81 VanDerWaalsContact O-N 3.09Å
79	E	90.6	Very high	92.5	Very high	153 Å²	153	66.8 Å²	66.8	72%	0.715	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.6	-45.7	175.2	-76.7	-175.3	169.2	0	0	112.6	D76 R81	D76-E79 HydrophobicContact CB-CB 4.25Å; D76-E79 VanDerWaalsContact O-CG 3.31Å; D76-E79 WeakPolarHBondContact O-CG 3.34Å; D76-E79 PolarHBondContact O-N 2.93Å; D76-E79 VanDerWaalsContact O-N 3.1Å; E79-R81 PolarHBondContact O-N 3.33Å
80	S	93	Very high	92.4	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.042	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-68.2	-16.7	178.5	55.6	0	0	0	0	114.2	G69 N74 D76 G78 R82 L83 Q88	G69-S80 WeakPolarHBondContact CA-O 3.43Å; G69-S80 PolarHBondContact N-O 3.37Å; N74-S80 PolarHBondContact ND2-OG 3.09Å; D76-S80 WeakPolarHBondContact OD2-CA 3.41Å; D76-S80 WeakPolarHBondContact OD2-CB 3.39Å; D76-S80 PolarHBondContact OD2-N 3.43Å; D76-S80 PolarHBondContact OD2-OG 2.87Å; G78-S80 VanDerWaalsContact C-N 3.32Å; G78-S80 PolarHBondContact O-N 3.08Å; S80-R82 PolarHBondContact O-N 3.32Å; S80-R82 VanDerWaalsContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 3.44Å; S80-Q88 PolarHBondContact O-NE2 3.35Å
81	R	93.1	Very high	92.4	Very high	187 Å²	187	71.5 Å²	71.5	71%	0.706	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-55.9	-34.5	-173.7	-172.9	-177.5	-66.2	-172.9	0.6	112.8	G78 E79	G78-R81 WeakPolarHBondContact O-CB 3.14Å; G78-R81 PolarHBondContact O-N 2.91Å; G78-R81 VanDerWaalsContact O-N 3.09Å; E79-R81 PolarHBondContact O-N 3.33Å
82	R	92.8	Very high	92.5	Very high	157 Å²	157	67.1 Å²	67.1	59%	0.592	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-100	-3.7	-177.9	-64.1	-171.5	177.8	-157.8	0.8	114.1	K68 S80 R137	K68-R82 WeakPolarHBondContact CE-O 3.21Å; S80-R82 PolarHBondContact O-N 3.32Å; S80-R82 VanDerWaalsContact O-N 3.08Å; R82-R137 PolarHBondContact O-NH2 3.2Å
83	L	95.6	Very high	92.8	Very high	39 Å²	39	63.2 Å²	63.2	20%	0.204	33%	0.327	C	S	.	.	S	Bend	trans	-93	137.3	-177	-61.5	-178.4	0	0	0	109.9	K68 G69 S80 E87 Q88 K135	K68-L83 VanDerWaalsContact CA-O 3.28Å; K68-L83 WeakPolarHBondContact CA-O 3.44Å; G69-L83 PolarHBondContact N-O 3.5Å; G69-L83 VanDerWaalsContact N-O 3.11Å; S80-L83 PolarHBondContact O-N 3.44Å; L83-E87 WeakPolarHBondContact CA-OE2 3.4Å; L83-E87 HydrophobicContact CB-CB 4.18Å; L83-E87 HydrophobicContact CD2-CB 4.35Å; L83-Q88 HydrophobicContact CB-CG 3.66Å; L83-Q88 HydrophobicContact CD1-CG 4.26Å; L83-Q88 PolarHBondContact O-NE2 2.95Å; L83-K135 HydrophobicContact CD2-CD 4.35Å; L83-K135 HydrophobicContact CD2-CG 4.36Å
84	T	96.1	Very high	93.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-72.6	163.9	170.4	75.7	0	0	0	0	109.9	M64 H65 I67 K68 W86 E87 Q88	M64-T84 VanDerWaalsContact O-CB 3.23Å; M64-T84 WeakPolarHBondContact O-CB 3.25Å; M64-T84 PolarHBondContact O-OG1 3.35Å; H65-T84 WeakPolarHBondContact O-CG2 3.48Å; I67-T84 VanDerWaalsContact O-CA 3.28Å; I67-T84 WeakPolarHBondContact O-CA 3.49Å; K68-T84 HydrophobicContact CG-CG2 4.16Å; T84-W86 VanDerWaalsContact C-N 3.29Å; T84-W86 PolarHBondContact O-N 2.87Å; T84-E87 PolarHBondContact N-OE2 3.05Å; T84-E87 WeakPolarHBondContact O-CB 3.23Å; T84-E87 PolarHBondContact O-N 3.05Å; T84-Q88 WeakPolarHBondContact O-CG 3.47Å; T84-Q88 PolarHBondContact O-N 3.37Å
85	Y	95.2	Very high	93.3	Very high	16 Å²	16	63.2 Å²	63.2	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-42.3	179.9	-177.7	-144.1	0	0	0	112.5	N13 W16 L17 I63 M64 I67 E87 Q88 I89	N13-Y85 VanDerWaalsContact ND2-CD2 3.28Å; N13-Y85 WeakPolarHBondContact ND2-CD2 3.31Å; N13-Y85 VanDerWaalsContact O-CE2 3.29Å; N13-Y85 WeakPolarHBondContact O-CE2 3.34Å; N13-Y85 WeakPolarHBondContact OD1-CE2 3.15Å; W16-Y85 AromaticContact CE2-CZ 3.98Å; W16-Y85 HydrophobicContact CZ2-CE1 4.28Å; W16-Y85 AromaticContact CZ2-CZ 3.93Å; W16-Y85 WeakPolarHBondContact CZ2-OH 3.37Å; W16-Y85 AromaticContact NE1-CE2 3.87Å; W16-Y85 AromaticContact NE1-CZ 3.6Å; W16-Y85 PolarHBondContact NE1-OH 3.2Å; L17-Y85 WeakPolarHBondContact CB-OH 3.44Å; I63-Y85 HydrophobicContact CG2-CD1 4.11Å; M64-Y85 HydrophobicContact CE-CD1 3.78Å; M64-Y85 HydrophobicContact CE-CE1 3.63Å; M64-Y85 HydrophobicContact SD-CD1 3.45Å; M64-Y85 WeakPolarHBondContact SD-CD1 3.36Å; M64-Y85 HydrophobicContact SD-CE1 3.87Å; M64-Y85 HydrophobicContact SD-CG 4.27Å; I67-Y85 PolarHBondContact O-N 3.16Å; Y85-E87 PolarHBondContact O-N 3.39Å; Y85-E87 VanDerWaalsContact O-N 3.16Å; Y85-Q88 PolarHBondContact O-N 3.13Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE1-CD1 4.47Å; Y85-I89 HydrophobicContact CE2-CD1 4.45Å; Y85-I89 HydrophobicContact CE2-CG1 3.85Å; Y85-I89 WeakPolarHBondContact O-CG1 3.45Å; Y85-I89 PolarHBondContact O-N 2.88Å; Y85-I89 VanDerWaalsContact O-N 3.16Å
86	W	96	Very high	93.4	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-55.2	-34.9	175.3	-175.7	-108.2	0	0	0	114.2	M64 H65 T84 Q88 I89 K99 L102 I103 K129	M64-W86 HydrophobicContact CB-CB 4.2Å; M64-W86 VanDerWaalsContact O-CB 3.24Å; M64-W86 WeakPolarHBondContact O-CB 3.47Å; M64-W86 PolarHBondContact O-N 3.41Å; M64-W86 HydrophobicContact SD-CE3 4.31Å; H65-W86 AromaticContact CE1-CD1 3.61Å; H65-W86 AromaticContact CE1-CG 3.55Å; T84-W86 VanDerWaalsContact C-N 3.29Å; T84-W86 PolarHBondContact O-N 2.87Å; W86-Q88 VanDerWaalsContact C-N 3.34Å; W86-I89 HydrophobicContact CE3-CD1 4.13Å; W86-K99 HydrophobicContact CH2-CB 3.74Å; W86-K99 HydrophobicContact CH2-CD 4.12Å; W86-K99 HydrophobicContact CH2-CG 3.72Å; W86-K99 HydrophobicContact CZ2-CB 4.29Å; W86-K99 HydrophobicContact CZ2-CD 3.96Å; W86-K99 HydrophobicContact CZ2-CG 4.1Å; W86-K99 HydrophobicContact CZ3-CB 4.33Å; W86-K99 HydrophobicContact CZ3-CG 4.01Å; W86-K99 WeakPolarHBondContact O-CE 3.42Å; W86-K99 PolarHBondContact O-NZ 3.36Å; W86-L102 HydrophobicContact CE3-CD1 4.43Å; W86-L102 HydrophobicContact CZ3-CB 4.09Å; W86-L102 HydrophobicContact CZ3-CD1 3.97Å; W86-I103 HydrophobicContact CH2-CD1 4.12Å; W86-I103 HydrophobicContact CH2-CG1 4.19Å; W86-I103 HydrophobicContact CZ2-CD1 4.49Å; W86-K129 HydrophobicContact CD2-CG 4.2Å; W86-K129 HydrophobicContact CE3-CG 4.3Å; W86-K129 HydrophobicContact CH2-CB 4.02Å; W86-K129 HydrophobicContact CH2-CD 3.99Å; W86-K129 HydrophobicContact CH2-CG 3.88Å; W86-K129 HydrophobicContact CZ2-CB 3.56Å; W86-K129 HydrophobicContact CZ2-CD 4.37Å; W86-K129 HydrophobicContact CZ2-CG 3.76Å; W86-K129 WeakPolarHBondContact CZ2-O 3.37Å; W86-K129 HydrophobicContact CZ3-CD 4.15Å; W86-K129 HydrophobicContact CZ3-CG 4.14Å
87	E	95.9	Very high	93.5	Very high	7 Å²	7	64 Å²	64	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-78.6	-23.4	-179	-65.7	170.5	157.7	0	0	112.7	L83 T84 Y85 G92 K135 R137	L83-E87 WeakPolarHBondContact CA-OE2 3.4Å; L83-E87 HydrophobicContact CB-CB 4.18Å; L83-E87 HydrophobicContact CD2-CB 4.35Å; T84-E87 PolarHBondContact N-OE2 3.05Å; T84-E87 WeakPolarHBondContact O-CB 3.23Å; T84-E87 PolarHBondContact O-N 3.05Å; Y85-E87 PolarHBondContact O-N 3.39Å; Y85-E87 VanDerWaalsContact O-N 3.16Å; E87-G92 VanDerWaalsContact O-CA 3.28Å; E87-G92 WeakPolarHBondContact O-CA 3.35Å; E87-K135 HydrophobicContact CG-CG 4.41Å; E87-K135 WeakPolarHBondContact OE1-CA 3.41Å; E87-K135 PolarHBondContact OE1-N 3.32Å; E87-R137 IonicContact OE1-CZ 3.64Å; E87-R137 IonicContact OE1-NH1 3.63Å; E87-R137 PolarHBondContact OE1-NH1 3.11Å; E87-R137 IonicContact OE1-NH2 3.31Å; E87-R137 PolarHBondContact OE1-NH2 3.08Å; E87-R137 IonicContact OE2-CZ 3.44Å; E87-R137 IonicContact OE2-NH1 2.68Å; E87-R137 IonicContact OE2-NH2 2.74Å; E87-R137 PolarHBondContact OE2-NH2 2.97Å
88	Q	95.7	Very high	93.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-85	-30.5	179.5	-65.8	175.8	43	0	0	112.8	N11 N13 S14 G69 S80 L83 T84 Y85 W86 D90 S91	N11-Q88 PolarHBondContact ND2-OE1 3.35Å; N13-Q88 PolarHBondContact ND2-OE1 3.18Å; S14-Q88 WeakPolarHBondContact CA-O 3.28Å; S14-Q88 WeakPolarHBondContact CB-O 3.33Å; G69-Q88 PolarHBondContact O-NE2 3.14Å; S80-Q88 PolarHBondContact O-NE2 3.35Å; L83-Q88 HydrophobicContact CB-CG 3.66Å; L83-Q88 HydrophobicContact CD1-CG 4.26Å; L83-Q88 PolarHBondContact O-NE2 2.95Å; T84-Q88 WeakPolarHBondContact O-CG 3.47Å; T84-Q88 PolarHBondContact O-N 3.37Å; Y85-Q88 PolarHBondContact O-N 3.13Å; W86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-D90 PolarHBondContact O-N 3.44Å; Q88-S91 PolarHBondContact O-N 3.33Å; Q88-S91 VanDerWaalsContact O-N 3.1Å
89	I	94.9	Very high	93.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-51.1	130.4	-178.4	-68.3	168.3	0	0	0	110.7	M64 Y85 W86 S91 G92 T98 K99 L102	M64-I89 HydrophobicContact SD-CD1 4.12Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE1-CD1 4.47Å; Y85-I89 HydrophobicContact CE2-CD1 4.45Å; Y85-I89 HydrophobicContact CE2-CG1 3.85Å; Y85-I89 WeakPolarHBondContact O-CG1 3.45Å; Y85-I89 PolarHBondContact O-N 2.88Å; Y85-I89 VanDerWaalsContact O-N 3.16Å; W86-I89 HydrophobicContact CE3-CD1 4.13Å; I89-S91 PolarHBondContact O-N 3.41Å; I89-G92 PolarHBondContact O-N 3.24Å; I89-T98 HydrophobicContact CG2-CG2 3.94Å; I89-K99 HydrophobicContact CG2-CG 3.94Å; I89-L102 HydrophobicContact CD1-CD1 3.72Å
90	D	93.7	Very high	93.7	Very high	34 Å²	34	50.9 Å²	50.9	18%	0.182	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	50.3	42.6	179.3	-54.7	-41.3	0	0	0	112.3	S14 Q88 G92 A93 T96 T98	S14-D90 PolarHBondContact O-N 2.86Å; Q88-D90 PolarHBondContact O-N 3.44Å; D90-G92 PolarHBondContact O-N 3.16Å; D90-G92 VanDerWaalsContact O-N 3.1Å; D90-A93 HydrophobicContact CB-CB 4.2Å; D90-A93 WeakPolarHBondContact O-CB 3.44Å; D90-A93 PolarHBondContact O-N 3.49Å; D90-T96 HydrophobicContact CB-CG2 3.79Å; D90-T96 WeakPolarHBondContact OD2-CB 3.27Å; D90-T96 WeakPolarHBondContact OD2-CG2 3.48Å; D90-T96 PolarHBondContact OD2-OG1 2.93Å; D90-T98 WeakPolarHBondContact OD2-CB 3.38Å; D90-T98 PolarHBondContact OD2-OG1 3.47Å
91	S	92.4	Very high	93.6	Very high	109 Å²	109	52.8 Å²	52.8	76%	0.762	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	54.8	29.8	-176.9	-60	0	0	0	0	113.7	Q88 I89 A93	Q88-S91 PolarHBondContact O-N 3.33Å; Q88-S91 VanDerWaalsContact O-N 3.1Å; I89-S91 PolarHBondContact O-N 3.41Å; S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.36Å
92	G	93.1	Very high	93.3	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	82.9	1.5	-178.6	0	0	0	0	0	114.8	E87 I89 D90 Q94	E87-G92 VanDerWaalsContact O-CA 3.28Å; E87-G92 WeakPolarHBondContact O-CA 3.35Å; I89-G92 PolarHBondContact O-N 3.24Å; D90-G92 PolarHBondContact O-N 3.16Å; D90-G92 VanDerWaalsContact O-N 3.1Å; G92-Q94 PolarHBondContact O-NE2 2.95Å
93	A	93.5	Very high	92.8	Very high	47 Å²	47	40 Å²	40	39%	0.388	22%	0.215	S	C	.	.			trans	-56.8	140.5	174.2	0	0	0	0	0	110.9	D90 S91 T96 K99	D90-A93 HydrophobicContact CB-CB 4.2Å; D90-A93 WeakPolarHBondContact O-CB 3.44Å; D90-A93 PolarHBondContact O-N 3.49Å; S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.36Å; A93-T96 HydrophobicContact CB-CG2 3.69Å; A93-K99 WeakPolarHBondContact O-CD 3.36Å; A93-K99 WeakPolarHBondContact O-CE 3.36Å; A93-K99 PolarHBondContact O-NZ 3.2Å
94	Q	93.2	Very high	91.8	Very high	51 Å²	51	43.4 Å²	43.4	24%	0.238	24%	0.238	C	C	.	.	S	Bend	trans	-100	158.1	-178.9	-58.1	-60.6	-35.5	0	0	110.3	G92 T96 P131 H134	G92-Q94 PolarHBondContact O-NE2 2.95Å; Q94-T96 PolarHBondContact O-N 3.4Å; Q94-T96 VanDerWaalsContact O-N 3.13Å; Q94-P131 HydrophobicContact CB-CG 4.39Å; Q94-P131 HydrophobicContact CG-CB 4.21Å; Q94-P131 HydrophobicContact CG-CG 4.47Å; Q94-H134 PolarHBondContact NE2-ND1 3.21Å
95	F	91	Very high	90.2	Very high	144 Å²	144	47.2 Å²	47.2	63%	0.632	26%	0.259	S	S	*	.	S	Bend	trans	55.9	27	177.9	-53.8	-70.1	0	0	0	115.2	K100 P131	F95-K100 WeakPolarHBondContact O-CE 3.3Å; F95-K100 PolarHBondContact O-NZ 3.18Å; F95-P131 HydrophobicContact CE1-CG 4.11Å; F95-P131 HydrophobicContact CE2-CG 3.69Å; F95-P131 HydrophobicContact CZ-CG 3.45Å; F95-P131 VanDerWaalsContact CZ-CG 3.45Å
96	T	93.7	Very high	88.7	Confident	30 Å²	30	51.6 Å²	51.6	18%	0.184	28%	0.279	C	S	.	.			trans	-71.8	160.7	171.1	62	0	0	0	0	111	D90 A93 Q94 T98 K99 K100	D90-T96 HydrophobicContact CB-CG2 3.79Å; D90-T96 WeakPolarHBondContact OD2-CB 3.27Å; D90-T96 WeakPolarHBondContact OD2-CG2 3.48Å; D90-T96 PolarHBondContact OD2-OG1 2.93Å; A93-T96 HydrophobicContact CB-CG2 3.69Å; Q94-T96 PolarHBondContact O-N 3.4Å; Q94-T96 VanDerWaalsContact O-N 3.13Å; T96-T98 VanDerWaalsContact C-N 3.28Å; T96-T98 PolarHBondContact O-N 2.95Å; T96-K99 PolarHBondContact O-N 3.38Å; T96-K99 PolarHBondContact OG1-N 2.92Å; T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 3.39Å
97	D	92.6	Very high	86.9	Confident	108 Å²	108	55.4 Å²	55.4	58%	0.578	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-36.9	-179.8	-66	-17.8	0	0	0	111.5	W23 K99 K100 F101	W23-D97 HydrophobicContact CH2-CB 4.14Å; W23-D97 HydrophobicContact CZ2-CB 4.36Å; D97-K99 PolarHBondContact O-N 2.89Å; D97-K100 PolarHBondContact O-N 3.45Å; D97-K100 IonicContact OD1-NZ 3.68Å; D97-F101 WeakPolarHBondContact O-CB 3.34Å; D97-F101 PolarHBondContact O-N 3.05Å
98	T	91.7	Very high	85.2	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-48.7	172.4	-46.1	0	0	0	0	111.8	L17 I89 D90 T96 F101 L102	L17-T98 HydrophobicContact CB-CG2 4.01Å; L17-T98 HydrophobicContact CD2-CG2 4Å; L17-T98 HydrophobicContact CG-CG2 3.82Å; I89-T98 HydrophobicContact CG2-CG2 3.94Å; D90-T98 WeakPolarHBondContact OD2-CB 3.38Å; D90-T98 PolarHBondContact OD2-OG1 3.47Å; T96-T98 VanDerWaalsContact C-N 3.28Å; T96-T98 PolarHBondContact O-N 2.95Å; T98-F101 WeakPolarHBondContact O-CB 3.05Å; T98-F101 PolarHBondContact O-N 3.37Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 2.87Å; T98-L102 VanDerWaalsContact O-N 3.09Å
99	K	93.5	Very high	83.7	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-37.2	179.2	-74.9	-175.5	175.7	174.5	0	112.2	W86 I89 A93 T96 D97 L102 I103	W86-K99 HydrophobicContact CH2-CB 3.74Å; W86-K99 HydrophobicContact CH2-CD 4.12Å; W86-K99 HydrophobicContact CH2-CG 3.72Å; W86-K99 HydrophobicContact CZ2-CB 4.29Å; W86-K99 HydrophobicContact CZ2-CD 3.96Å; W86-K99 HydrophobicContact CZ2-CG 4.1Å; W86-K99 HydrophobicContact CZ3-CB 4.33Å; W86-K99 HydrophobicContact CZ3-CG 4.01Å; W86-K99 WeakPolarHBondContact O-CE 3.42Å; W86-K99 PolarHBondContact O-NZ 3.36Å; I89-K99 HydrophobicContact CG2-CG 3.94Å; A93-K99 WeakPolarHBondContact O-CD 3.36Å; A93-K99 WeakPolarHBondContact O-CE 3.36Å; A93-K99 PolarHBondContact O-NZ 3.2Å; T96-K99 PolarHBondContact O-N 3.38Å; T96-K99 PolarHBondContact OG1-N 2.92Å; D97-K99 PolarHBondContact O-N 2.89Å; K99-L102 PolarHBondContact O-N 3.19Å; K99-I103 WeakPolarHBondContact O-CD1 3.36Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.34Å; K99-I103 PolarHBondContact O-N 2.89Å; K99-I103 VanDerWaalsContact O-N 3.15Å
100	K	91.7	Very high	82.3	Confident	102 Å²	102	66.6 Å²	66.6	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-41.8	174.2	-71.6	170.1	-174.2	154.9	0	111.7	F95 T96 D97 L102 I103 T104	F95-K100 WeakPolarHBondContact O-CE 3.3Å; F95-K100 PolarHBondContact O-NZ 3.18Å; T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 3.39Å; D97-K100 PolarHBondContact O-N 3.45Å; D97-K100 IonicContact OD1-NZ 3.68Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 3.13Å; K100-I103 PolarHBondContact O-N 3.44Å; K100-I103 VanDerWaalsContact O-N 3.08Å; K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 3.44Å
101	F	89.6	Confident	81.8	Confident	45 Å²	45	68.3 Å²	68.3	20%	0.197	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-46	174.3	175.3	-102.4	0	0	0	111.1	W23 Y26 D97 T98 I103 T104	W23-F101 HydrophobicContact CB-CE1 3.95Å; W23-F101 HydrophobicContact CB-CE2 4.21Å; W23-F101 HydrophobicContact CB-CZ 3.78Å; W23-F101 AromaticContact CD1-CD1 3.93Å; W23-F101 HydrophobicContact CD2-CD1 4.27Å; W23-F101 HydrophobicContact CD2-CD2 4.2Å; W23-F101 HydrophobicContact CD2-CE2 4.49Å; W23-F101 HydrophobicContact CD2-CG 4.08Å; W23-F101 HydrophobicContact CE3-CD2 4.18Å; W23-F101 HydrophobicContact CE3-CG 4.45Å; W23-F101 AromaticContact CG-CD1 3.99Å; W23-F101 HydrophobicContact CG-CD1 3.99Å; W23-F101 HydrophobicContact CG-CD2 4.44Å; W23-F101 AromaticContact CG-CE1 3.91Å; W23-F101 HydrophobicContact CG-CE1 3.91Å; W23-F101 HydrophobicContact CG-CE2 4.37Å; W23-F101 HydrophobicContact CG-CG 4.26Å; W23-F101 HydrophobicContact CG-CZ 4.11Å; W23-F101 HydrophobicContact CZ2-CB 4.45Å; Y26-F101 AromaticContact CD1-CE1 3.46Å; Y26-F101 HydrophobicContact CD1-CE1 3.46Å; Y26-F101 VanDerWaalsContact CD1-CE1 3.46Å; Y26-F101 AromaticContact CD1-CZ 3.67Å; Y26-F101 HydrophobicContact CD1-CZ 3.67Å; Y26-F101 AromaticContact CE1-CE1 3.93Å; Y26-F101 HydrophobicContact CE1-CE1 3.93Å; Y26-F101 HydrophobicContact CE1-CZ 4.19Å; Y26-F101 HydrophobicContact CG-CE1 4.1Å; D97-F101 WeakPolarHBondContact O-CB 3.34Å; D97-F101 PolarHBondContact O-N 3.05Å; T98-F101 WeakPolarHBondContact O-CB 3.05Å; T98-F101 PolarHBondContact O-N 3.37Å; F101-I103 PolarHBondContact O-N 3.44Å; F101-T104 WeakPolarHBondContact O-CB 3.35Å; F101-T104 PolarHBondContact O-N 3.39Å; F101-T104 VanDerWaalsContact O-N 3.16Å
102	L	87.4	Confident	81.6	Confident	6 Å²	6	69 Å²	69	3%	0.031	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.5	176.5	-70.6	179.1	0	0	0	115.4	L17 Y26 M64 W86 I89 T98 K99 K100 K129	L17-L102 HydrophobicContact CD2-CD1 3.68Å; L17-L102 HydrophobicContact CD2-CD2 4.08Å; L17-L102 HydrophobicContact CD2-CG 4.1Å; Y26-L102 HydrophobicContact CD2-CD2 4.47Å; Y26-L102 HydrophobicContact CE2-CD2 4.03Å; M64-L102 HydrophobicContact CE-CD1 3.63Å; M64-L102 HydrophobicContact CE-CD2 4.12Å; M64-L102 HydrophobicContact SD-CD1 4.18Å; W86-L102 HydrophobicContact CE3-CD1 4.43Å; W86-L102 HydrophobicContact CZ3-CB 4.09Å; W86-L102 HydrophobicContact CZ3-CD1 3.97Å; I89-L102 HydrophobicContact CD1-CD1 3.72Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 2.87Å; T98-L102 VanDerWaalsContact O-N 3.09Å; K99-L102 PolarHBondContact O-N 3.19Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 3.13Å; L102-K129 PolarHBondContact O-NZ 2.96Å
103	I	83.2	Confident	81.4	Confident	69 Å²	69	72.7 Å²	72.7	35%	0.354	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-22.6	173.5	-71.7	165.9	0	0	0	111	W86 K99 K100 F101 N105 L126 K129	W86-I103 HydrophobicContact CH2-CD1 4.12Å; W86-I103 HydrophobicContact CH2-CG1 4.19Å; W86-I103 HydrophobicContact CZ2-CD1 4.49Å; K99-I103 WeakPolarHBondContact O-CD1 3.36Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.34Å; K99-I103 PolarHBondContact O-N 2.89Å; K99-I103 VanDerWaalsContact O-N 3.15Å; K100-I103 PolarHBondContact O-N 3.44Å; K100-I103 VanDerWaalsContact O-N 3.08Å; F101-I103 PolarHBondContact O-N 3.44Å; I103-N105 PolarHBondContact O-N 2.9Å; I103-L126 HydrophobicContact CB-CD2 4.45Å; I103-L126 HydrophobicContact CG1-CD2 4.37Å; I103-L126 HydrophobicContact CG2-CD2 3.88Å; I103-K129 HydrophobicContact CG1-CD 3.95Å
104	T	74.6	Confident	81.1	Confident	111 Å²	111	72 Å²	72	68%	0.681	39%	0.386	S	S	*	.			trans	-61.2	124.7	-174.8	-59.1	0	0	0	0	110.2	K100 F101	K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 3.44Å; F101-T104 WeakPolarHBondContact O-CB 3.35Å; F101-T104 PolarHBondContact O-N 3.39Å; F101-T104 VanDerWaalsContact O-N 3.16Å
105	N	62.8	Low	80.9	Confident	83 Å²	83	74.6 Å²	74.6	44%	0.444	40%	0.397	S	S	.	.			trans	-115.3	154.1	-174.5	-175.6	39.2	0	0	0	111.6	I103 L122	I103-N105 PolarHBondContact O-N 2.9Å; N105-L122 HydrophobicContact CB-CD1 4.15Å
106	H	62.9	Low	80.9	Confident	108 Å²	108	71.7 Å²	71.7	50%	0.5	39%	0.387	S	S	.	.			trans	-94.7	109.5	172.8	-170.3	67.4	0	0	0	110.4	T108	H106-T108 PolarHBondContact O-N 3.33Å
107	A	57	Low	80.7	Confident	84 Å²	84	73.9 Å²	73.9	69%	0.694	40%	0.397	S	S	*	.			trans	-67.3	126.7	170.1	0	0	0	0	0	109.3
108	T	61.4	Low	80.6	Confident	23 Å²	23	69.5 Å²	69.5	14%	0.141	37%	0.374	C	S	.	.			trans	-110.6	123.2	-179.4	8.2	0	0	0	0	110.4	H106 Y110	H106-T108 PolarHBondContact O-N 3.33Å; T108-Y110 VanDerWaalsContact CB-CD2 3.44Å; T108-Y110 HydrophobicContact CG2-CD2 3.82Å; T108-Y110 HydrophobicContact CG2-CE2 3.07Å; T108-Y110 PolarHBondContact O-N 2.96Å; T108-Y110 VanDerWaalsContact O-N 3.09Å
109	N	63.1	Low	80.5	Confident	162 Å²	162	72.4 Å²	72.4	87%	0.866	39%	0.389	S	S	*	.			trans	-78.4	82.5	-178.5	-72.7	-52.3	0	0	0	110.8
110	Y	65.4	Low	80.4	Confident	61 Å²	61	77.1 Å²	77.1	24%	0.239	42%	0.417	C	S	.	.			trans	-135.9	171.3	-175	-60.3	-42.6	0	0	0	114.9	Q46 W49 T108 H114	Q46-Y110 HydrophobicContact CB-CD1 4.1Å; Q46-Y110 HydrophobicContact CB-CE1 4.05Å; Q46-Y110 HydrophobicContact CB-CE2 4.41Å; Q46-Y110 HydrophobicContact CB-CG 4.44Å; Q46-Y110 HydrophobicContact CG-CD1 3.69Å; Q46-Y110 HydrophobicContact CG-CE1 3.56Å; Q46-Y110 HydrophobicContact CG-CG 4.49Å; W49-Y110 HydrophobicContact CB-CE2 4.17Å; W49-Y110 VanDerWaalsContact CD1-OH 3.3Å; T108-Y110 VanDerWaalsContact CB-CD2 3.44Å; T108-Y110 HydrophobicContact CG2-CD2 3.82Å; T108-Y110 HydrophobicContact CG2-CE2 3.07Å; T108-Y110 PolarHBondContact O-N 2.96Å; T108-Y110 VanDerWaalsContact O-N 3.09Å; Y110-H114 HydrophobicContact CD2-CB 4.14Å; Y110-H114 HydrophobicContact CG-CB 4.35Å
111	S	83.6	Confident	80.4	Confident	70 Å²	70	73.2 Å²	73.2	49%	0.49	40%	0.403	S	S	.	.			trans	-42.1	146.5	165.5	169.5	0	0	0	0	112.4	V113 H114 F115	S111-V113 PolarHBondContact O-N 3.49Å; S111-H114 PolarHBondContact O-N 2.8Å; S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.13Å
112	L	87.7	Confident	80.4	Confident	124 Å²	124	72.7 Å²	72.7	65%	0.649	40%	0.402	S	S	*	.	H	α-helix	trans	-48.8	-37.1	-178.1	-173.3	66.3	0	0	0	112.9	F115 L116	L112-F115 PolarHBondContact O-N 2.84Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.13Å; L112-L116 HydrophobicContact CG-CG 4.41Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.49Å
113	V	89.1	Confident	80.6	Confident	90 Å²	90	76.8 Å²	76.8	55%	0.545	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-49.3	179.9	176.1	0	0	0	0	112	S111 F115 L116 I117	S111-V113 PolarHBondContact O-N 3.49Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.49Å; V113-L116 PolarHBondContact O-N 2.98Å; V113-I117 HydrophobicContact CG1-CD1 3.94Å; V113-I117 WeakPolarHBondContact O-CG1 3.48Å; V113-I117 PolarHBondContact O-N 3.38Å; V113-I117 VanDerWaalsContact O-N 3.09Å
114	H	88.2	Confident	81	Confident	32 Å²	32	79.3 Å²	79.3	15%	0.148	43%	0.432	C	S	.	.	H	α-helix	trans	-65.5	-38.5	178.3	-70.6	-67.4	0	0	0	111.2	T50 Y110 S111 N118	T50-H114 PolarHBondContact OG1-ND1 3.33Å; Y110-H114 HydrophobicContact CD2-CB 4.14Å; Y110-H114 HydrophobicContact CG-CB 4.35Å; S111-H114 PolarHBondContact O-N 2.8Å; H114-N118 WeakPolarHBondContact O-CB 3.44Å; H114-N118 PolarHBondContact O-N 2.96Å; H114-N118 PolarHBondContact O-ND2 3.33Å
115	F	88.5	Confident	81.9	Confident	107 Å²	107	74.1 Å²	74.1	47%	0.469	40%	0.399	S	S	.	.	H	α-helix	trans	-59.7	-49	175.3	174.5	-100.8	0	0	0	111.6	S111 L112 V113 I117 N118 L119	S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.13Å; L112-F115 PolarHBondContact O-N 2.84Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.49Å; F115-I117 PolarHBondContact O-N 3.5Å; F115-N118 PolarHBondContact O-N 3.23Å; F115-L119 HydrophobicContact CE1-CD2 4.1Å; F115-L119 HydrophobicContact CZ-CD2 4.36Å; F115-L119 VanDerWaalsContact O-CB 3.3Å; F115-L119 WeakPolarHBondContact O-CB 3.45Å; F115-L119 PolarHBondContact O-N 3.45Å
116	L	90.5	Very high	83.2	Confident	83 Å²	83	72.6 Å²	72.6	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-42.6	-179.3	-71.2	175.8	0	0	0	112.6	L112 V113 L119 V120	L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.13Å; L112-L116 HydrophobicContact CG-CG 4.41Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.49Å; V113-L116 PolarHBondContact O-N 2.98Å; L116-L119 PolarHBondContact O-N 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 2.88Å
117	I	91	Very high	84.7	Confident	76 Å²	76	70.2 Å²	70.2	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-47.4	177	-69.2	164.6	0	0	0	110.6	T50 V54 V113 F115 L119 S121	T50-I117 HydrophobicContact CG2-CB 4.19Å; T50-I117 HydrophobicContact CG2-CG2 3.68Å; V54-I117 HydrophobicContact CG2-CG2 3.69Å; V113-I117 HydrophobicContact CG1-CD1 3.94Å; V113-I117 WeakPolarHBondContact O-CG1 3.48Å; V113-I117 PolarHBondContact O-N 3.38Å; V113-I117 VanDerWaalsContact O-N 3.09Å; F115-I117 PolarHBondContact O-N 3.5Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.81Å; I117-S121 WeakPolarHBondContact O-CB 3.37Å; I117-S121 PolarHBondContact O-N 3.16Å
118	N	89.8	Confident	86.4	Confident	16 Å²	16	67.7 Å²	67.7	9%	0.086	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-40	177.7	-76.4	-62	0	0	0	111.7	N53 H114 F115 S121 L122	N53-N118 WeakPolarHBondContact CB-OD1 3.2Å; N53-N118 PolarHBondContact ND2-OD1 2.91Å; H114-N118 WeakPolarHBondContact O-CB 3.44Å; H114-N118 PolarHBondContact O-N 2.96Å; H114-N118 PolarHBondContact O-ND2 3.33Å; F115-N118 PolarHBondContact O-N 3.23Å; N118-S121 PolarHBondContact O-N 3.01Å; N118-L122 VanDerWaalsContact O-CB 3.22Å; N118-L122 WeakPolarHBondContact O-CB 3.11Å; N118-L122 PolarHBondContact O-N 2.92Å
119	L	89.5	Confident	87.9	Confident	67 Å²	67	67.1 Å²	67.1	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-47.8	178.6	-178.5	66.7	0	0	0	111.9	F115 L116 I117 L122 I123	F115-L119 HydrophobicContact CE1-CD2 4.1Å; F115-L119 HydrophobicContact CZ-CD2 4.36Å; F115-L119 VanDerWaalsContact O-CB 3.3Å; F115-L119 WeakPolarHBondContact O-CB 3.45Å; F115-L119 PolarHBondContact O-N 3.45Å; L116-L119 PolarHBondContact O-N 3.24Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.81Å; L119-L122 WeakPolarHBondContact O-CB 3.04Å; L119-L122 PolarHBondContact O-N 3.26Å; L119-I123 HydrophobicContact CD1-CD1 4.43Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.49Å
120	V	92	Very high	89.3	Confident	101 Å²	101	62.9 Å²	62.9	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-62.7	-45.7	178	172	0	0	0	0	110.6	L116 L122 I123 F124	L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 2.88Å; V120-L122 VanDerWaalsContact C-N 3.26Å; V120-L122 PolarHBondContact O-N 2.97Å; V120-I123 PolarHBondContact O-N 3.29Å; V120-F124 PolarHBondContact O-N 3.35Å; V120-F124 VanDerWaalsContact O-N 3.14Å
121	S	91.7	Very high	90.6	Very high	19 Å²	19	62.1 Å²	62.1	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-37.8	176.4	179.6	0	0	0	0	112.1	N57 I117 N118 V125	N57-S121 VanDerWaalsContact CB-OG 3.3Å; N57-S121 WeakPolarHBondContact CB-OG 3.27Å; N57-S121 PolarHBondContact ND2-OG 2.83Å; I117-S121 WeakPolarHBondContact O-CB 3.37Å; I117-S121 PolarHBondContact O-N 3.16Å; N118-S121 PolarHBondContact O-N 3.01Å; S121-V125 PolarHBondContact O-N 3.49Å
122	L	89.8	Confident	91.1	Very high	34 Å²	34	65.4 Å²	65.4	18%	0.178	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-45.9	178.5	-176.1	68.3	0	0	0	111.9	N105 N118 L119 V120 F124 V125 L126	N105-L122 HydrophobicContact CB-CD1 4.15Å; N118-L122 VanDerWaalsContact O-CB 3.22Å; N118-L122 WeakPolarHBondContact O-CB 3.11Å; N118-L122 PolarHBondContact O-N 2.92Å; L119-L122 WeakPolarHBondContact O-CB 3.04Å; L119-L122 PolarHBondContact O-N 3.26Å; V120-L122 VanDerWaalsContact C-N 3.26Å; V120-L122 PolarHBondContact O-N 2.97Å; L122-F124 PolarHBondContact O-N 3.07Å; L122-V125 HydrophobicContact CD1-CG1 4.43Å; L122-V125 WeakPolarHBondContact O-CG1 3.39Å; L122-V125 PolarHBondContact O-N 3.09Å; L122-L126 HydrophobicContact CD1-CD1 3.72Å; L122-L126 HydrophobicContact CD1-CD2 4.33Å; L122-L126 HydrophobicContact CD1-CG 3.77Å; L122-L126 HydrophobicContact CD2-CD1 4.05Å; L122-L126 HydrophobicContact CG-CD1 3.6Å; L122-L126 HydrophobicContact CG-CG 3.95Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.02Å
123	I	91.7	Very high	91.4	Very high	93 Å²	93	63.2 Å²	63.2	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-57.1	-44	177.4	-69.9	167.7	0	0	0	110	L119 V120 V125 L126 V127	L119-I123 HydrophobicContact CD1-CD1 4.43Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.49Å; V120-I123 PolarHBondContact O-N 3.29Å; I123-V125 VanDerWaalsContact C-N 3.3Å; I123-V125 PolarHBondContact O-N 3.4Å; I123-L126 PolarHBondContact O-N 3.44Å; I123-V127 HydrophobicContact CG2-CG2 3.92Å; I123-V127 WeakPolarHBondContact O-CB 3.33Å; I123-V127 VanDerWaalsContact O-CG2 3.25Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 2.85Å
124	F	91.7	Very high	91.6	Very high	122 Å²	122	61.2 Å²	61.2	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-38.5	179.9	-173.9	-98.8	0	0	0	113.2	Y61 V120 L122 P128	Y61-F124 AromaticContact CD1-CE1 3.9Å; Y61-F124 HydrophobicContact CD1-CE1 3.9Å; Y61-F124 HydrophobicContact CD1-CZ 4.36Å; Y61-F124 HydrophobicContact CD2-CD1 4.27Å; Y61-F124 AromaticContact CD2-CE1 3.73Å; Y61-F124 HydrophobicContact CD2-CE1 3.73Å; Y61-F124 HydrophobicContact CD2-CZ 4.37Å; Y61-F124 HydrophobicContact CE1-CE1 4.1Å; Y61-F124 HydrophobicContact CE1-CZ 4.1Å; Y61-F124 AromaticContact CE2-CE1 3.96Å; Y61-F124 HydrophobicContact CE2-CE1 3.96Å; Y61-F124 HydrophobicContact CE2-CZ 4.13Å; Y61-F124 HydrophobicContact CG-CD1 4.44Å; Y61-F124 AromaticContact CG-CE1 3.7Å; Y61-F124 HydrophobicContact CG-CE1 3.7Å; Y61-F124 HydrophobicContact CG-CZ 4.48Å; Y61-F124 AromaticContact CZ-CZ 3.99Å; V120-F124 PolarHBondContact O-N 3.35Å; V120-F124 VanDerWaalsContact O-N 3.14Å; L122-F124 PolarHBondContact O-N 3.07Å; F124-P128 WeakPolarHBondContact O-CD 3.32Å; F124-P128 WeakPolarHBondContact O-CG 3.48Å
125	V	91.5	Very high	91.9	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-88.9	-25.5	-179.3	77.5	0	0	0	0	113.5	N57 M60 S121 L122 I123 K129	N57-V125 HydrophobicContact CB-CB 4.35Å; N57-V125 HydrophobicContact CB-CG1 4.3Å; M60-V125 HydrophobicContact CB-CG2 4.34Å; S121-V125 PolarHBondContact O-N 3.49Å; L122-V125 HydrophobicContact CD1-CG1 4.43Å; L122-V125 WeakPolarHBondContact O-CG1 3.39Å; L122-V125 PolarHBondContact O-N 3.09Å; I123-V125 VanDerWaalsContact C-N 3.3Å; I123-V125 PolarHBondContact O-N 3.4Å; V125-K129 WeakPolarHBondContact O-CD 3.43Å; V125-K129 WeakPolarHBondContact O-CG 3.3Å
126	L	91.8	Very high	92.1	Very high	52 Å²	52	63.9 Å²	63.9	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-83	-36	-179.3	-71.8	-171.5	0	0	0	113.1	I103 L122 I123 K129 M130	I103-L126 HydrophobicContact CB-CD2 4.45Å; I103-L126 HydrophobicContact CG1-CD2 4.37Å; I103-L126 HydrophobicContact CG2-CD2 3.88Å; L122-L126 HydrophobicContact CD1-CD1 3.72Å; L122-L126 HydrophobicContact CD1-CD2 4.33Å; L122-L126 HydrophobicContact CD1-CG 3.77Å; L122-L126 HydrophobicContact CD2-CD1 4.05Å; L122-L126 HydrophobicContact CG-CD1 3.6Å; L122-L126 HydrophobicContact CG-CG 3.95Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.02Å; I123-L126 PolarHBondContact O-N 3.44Å; L126-K129 HydrophobicContact CD2-CD 4.31Å; L126-K129 WeakPolarHBondContact O-CB 3.22Å; L126-K129 PolarHBondContact O-N 3.31Å; L126-M130 PolarHBondContact O-N 3.23Å
127	V	92.9	Very high	92.3	Very high	58 Å²	58	62.7 Å²	62.7	35%	0.352	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.2	-48.7	-179.2	167.6	0	0	0	0	112	I123 K129 M130 F133	I123-V127 HydrophobicContact CG2-CG2 3.92Å; I123-V127 WeakPolarHBondContact O-CB 3.33Å; I123-V127 VanDerWaalsContact O-CG2 3.25Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 2.85Å; V127-K129 PolarHBondContact O-N 3.1Å; V127-M130 HydrophobicContact CB-CE 4.15Å; V127-M130 HydrophobicContact CG1-CE 3.93Å; V127-M130 HydrophobicContact CG2-CE 4.17Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; V127-F133 HydrophobicContact CG1-CD2 4.23Å; V127-F133 HydrophobicContact CG1-CE2 3.74Å; V127-F133 HydrophobicContact CG1-CZ 4.17Å; V127-F133 WeakPolarHBondContact O-CD2 3.28Å
128	P	92.9	Very high	92.2	Very high	31 Å²	31	64 Å²	64	20%	0.201	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-68.1	-19.7	177.8	-17.6	31.3	0	0	0	114.2	Y61 H65 F124 M130	Y61-P128 HydrophobicContact CD2-CG 4.33Å; Y61-P128 HydrophobicContact CE2-CG 3.86Å; H65-P128 PolarHBondContact CE1-O 2.91Å; F124-P128 WeakPolarHBondContact O-CD 3.32Å; F124-P128 WeakPolarHBondContact O-CG 3.48Å; P128-M130 VanDerWaalsContact C-N 3.31Å
129	K	94.1	Very high	92.3	Very high	10 Å²	10	71.7 Å²	71.7	4%	0.043	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-79.5	-14.5	177.7	-71	177.8	179.3	175.5	0	112.8	W86 L102 I103 V125 L126 V127	W86-K129 HydrophobicContact CD2-CG 4.2Å; W86-K129 HydrophobicContact CE3-CG 4.3Å; W86-K129 HydrophobicContact CH2-CB 4.02Å; W86-K129 HydrophobicContact CH2-CD 3.99Å; W86-K129 HydrophobicContact CH2-CG 3.88Å; W86-K129 HydrophobicContact CZ2-CB 3.56Å; W86-K129 HydrophobicContact CZ2-CD 4.37Å; W86-K129 HydrophobicContact CZ2-CG 3.76Å; W86-K129 WeakPolarHBondContact CZ2-O 3.37Å; W86-K129 HydrophobicContact CZ3-CD 4.15Å; W86-K129 HydrophobicContact CZ3-CG 4.14Å; L102-K129 PolarHBondContact O-NZ 2.96Å; I103-K129 HydrophobicContact CG1-CD 3.95Å; V125-K129 WeakPolarHBondContact O-CD 3.43Å; V125-K129 WeakPolarHBondContact O-CG 3.3Å; L126-K129 HydrophobicContact CD2-CD 4.31Å; L126-K129 WeakPolarHBondContact O-CB 3.22Å; L126-K129 PolarHBondContact O-N 3.31Å; V127-K129 PolarHBondContact O-N 3.1Å
130	M	92	Very high	92.3	Very high	73 Å²	73	73.1 Å²	73.1	36%	0.36	37%	0.367	S	S	.	.	S	Bend	trans	-65.7	141.2	179.4	-64.2	-167.3	-75.7	0	0	111.3	L126 V127 P128 Q132 F133	L126-M130 PolarHBondContact O-N 3.23Å; V127-M130 HydrophobicContact CB-CE 4.15Å; V127-M130 HydrophobicContact CG1-CE 3.93Å; V127-M130 HydrophobicContact CG2-CE 4.17Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; P128-M130 VanDerWaalsContact C-N 3.31Å; M130-Q132 PolarHBondContact O-N 2.92Å; M130-F133 HydrophobicContact CB-CD2 4.29Å; M130-F133 HydrophobicContact CE-CD2 3.99Å; M130-F133 HydrophobicContact CE-CE2 3.62Å; M130-F133 PolarHBondContact O-N 2.86Å
131	P	93.3	Very high	92.2	Very high	45 Å²	45	74 Å²	74	29%	0.292	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-54.3	-30.2	179.7	-27	33.3	0	0	0	114.6	Q94 F95 F133 H134	Q94-P131 HydrophobicContact CB-CG 4.39Å; Q94-P131 HydrophobicContact CG-CB 4.21Å; Q94-P131 HydrophobicContact CG-CG 4.47Å; F95-P131 HydrophobicContact CE1-CG 4.11Å; F95-P131 HydrophobicContact CE2-CG 3.69Å; F95-P131 HydrophobicContact CZ-CG 3.45Å; F95-P131 VanDerWaalsContact CZ-CG 3.45Å; P131-F133 PolarHBondContact O-N 2.95Å; P131-H134 VanDerWaalsContact O-CB 3.25Å; P131-H134 WeakPolarHBondContact O-CB 3.28Å; P131-H134 PolarHBondContact O-N 2.67Å; P131-H134 VanDerWaalsContact O-N 3.07Å
132	Q	93.6	Very high	92.2	Very high	140 Å²	140	76 Å²	76	65%	0.654	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.1	178.4	-62.2	89.6	-40.1	0	0	112.8	M130	M130-Q132 PolarHBondContact O-N 2.92Å
133	F	93.5	Very high	92.1	Very high	78 Å²	78	78.3 Å²	78.3	34%	0.342	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-100.3	6.1	178.2	-69.9	-76.9	0	0	0	113.2	V127 M130 P131 K135 V136	V127-F133 HydrophobicContact CG1-CD2 4.23Å; V127-F133 HydrophobicContact CG1-CE2 3.74Å; V127-F133 HydrophobicContact CG1-CZ 4.17Å; V127-F133 WeakPolarHBondContact O-CD2 3.28Å; M130-F133 HydrophobicContact CB-CD2 4.29Å; M130-F133 HydrophobicContact CE-CD2 3.99Å; M130-F133 HydrophobicContact CE-CE2 3.62Å; M130-F133 PolarHBondContact O-N 2.86Å; P131-F133 PolarHBondContact O-N 2.95Å; F133-K135 PolarHBondContact O-N 3.25Å; F133-V136 HydrophobicContact CD1-CG1 4.43Å; F133-V136 PolarHBondContact O-N 3.46Å; F133-V136 VanDerWaalsContact O-N 3.12Å
134	H	94.4	Very high	91.8	Very high	48 Å²	48	83.5 Å²	83.5	22%	0.222	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	124	178.9	-175.5	64.8	0	0	0	111.1	Q94 P131 V136	Q94-H134 PolarHBondContact NE2-ND1 3.21Å; P131-H134 VanDerWaalsContact O-CB 3.25Å; P131-H134 WeakPolarHBondContact O-CB 3.28Å; P131-H134 PolarHBondContact O-N 2.67Å; P131-H134 VanDerWaalsContact O-N 3.07Å; H134-V136 PolarHBondContact O-N 3.42Å; H134-V136 VanDerWaalsContact O-N 3.14Å
135	K	93	Very high	91.8	Very high	122 Å²	122	81.6 Å²	81.6	53%	0.53	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	13.2	-175.7	-60.6	179.4	179.8	-179.7	0	114.8	L83 E87 F133	L83-K135 HydrophobicContact CD2-CD 4.35Å; L83-K135 HydrophobicContact CD2-CG 4.36Å; E87-K135 HydrophobicContact CG-CG 4.41Å; E87-K135 WeakPolarHBondContact OE1-CA 3.41Å; E87-K135 PolarHBondContact OE1-N 3.32Å; F133-K135 PolarHBondContact O-N 3.25Å
136	V	94.3	Very high	91.8	Very high	72 Å²	72	85.8 Å²	85.8	44%	0.436	41%	0.414	S	S	.	.			trans	-86.6	133.1	173.3	179.8	0	0	0	0	109.3	F133 H134	F133-V136 HydrophobicContact CD1-CG1 4.43Å; F133-V136 PolarHBondContact O-N 3.46Å; F133-V136 VanDerWaalsContact O-N 3.12Å; H134-V136 PolarHBondContact O-N 3.42Å; H134-V136 VanDerWaalsContact O-N 3.14Å
137	R	93.5	Very high	91.8	Very high	59 Å²	59	87.7 Å²	87.7	22%	0.223	42%	0.422	C	S	.	.			trans	-113.7	93.8	174.1	-60.2	-65.7	179.5	-102.9	-0	108.5	R82 E87 F139 D140 L141 N142	R82-R137 PolarHBondContact O-NH2 3.2Å; E87-R137 IonicContact OE1-CZ 3.64Å; E87-R137 IonicContact OE1-NH1 3.63Å; E87-R137 PolarHBondContact OE1-NH1 3.11Å; E87-R137 IonicContact OE1-NH2 3.31Å; E87-R137 PolarHBondContact OE1-NH2 3.08Å; E87-R137 IonicContact OE2-CZ 3.44Å; E87-R137 IonicContact OE2-NH1 2.68Å; E87-R137 IonicContact OE2-NH2 2.74Å; E87-R137 PolarHBondContact OE2-NH2 2.97Å; R137-F139 PolarHBondContact O-N 2.85Å; R137-D140 PolarHBondContact O-N 2.94Å; R137-L141 WeakPolarHBondContact CD-O 3.4Å; R137-N142 WeakPolarHBondContact CD-O 3.31Å; R137-N142 PolarHBondContact NE-O 2.93Å
138	L	89.2	Confident	91.8	Very high	103 Å²	103	89.5 Å²	89.5	54%	0.539	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-62.3	128.7	179	-171.1	68.2	0	0	0	109.4	D140 L141	L138-D140 PolarHBondContact O-N 2.77Å; L138-D140 VanDerWaalsContact O-N 3.15Å; L138-L141 WeakPolarHBondContact O-CB 3.47Å; L138-L141 WeakPolarHBondContact O-CG 3.38Å; L138-L141 PolarHBondContact O-N 3.04Å
139	F	92.1	Very high	91.7	Very high	177 Å²	177	93.1 Å²	93.1	78%	0.776	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	53.8	28.3	-176.2	-47.9	-63.3	0	0	0	114.8	R137 L141	R137-F139 PolarHBondContact O-N 2.85Å; F139-L141 HydrophobicContact CB-CG 4.32Å; F139-L141 PolarHBondContact O-N 3.36Å
140	D	88.9	Confident	91.5	Very high	98 Å²	98	98.7 Å²	98.7	52%	0.524	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	57.7	17.9	-174.3	-75.8	-29.8	0	0	0	114.3	R137 L138 K143	R137-D140 PolarHBondContact O-N 2.94Å; L138-D140 PolarHBondContact O-N 2.77Å; L138-D140 VanDerWaalsContact O-N 3.15Å; D140-K143 HydrophobicContact CB-CD 4Å; D140-K143 VanDerWaalsContact O-CB 3.29Å; D140-K143 WeakPolarHBondContact O-CB 3.31Å; D140-K143 PolarHBondContact O-N 3.4Å; D140-K143 WeakPolarHBondContact OD1-CD 3.4Å; D140-K143 WeakPolarHBondContact OD1-CE 3.29Å; D140-K143 IonicContact OD1-NZ 2.8Å; D140-K143 PolarHBondContact OD1-NZ 3.14Å; D140-K143 IonicContact OD2-NZ 2.99Å; D140-K143 PolarHBondContact OD2-NZ 3.46Å
141	L	89.9	Confident	91.5	Very high	118 Å²	118	100.5 Å²	100.5	62%	0.618	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	138.4	173.5	-65.8	175.3	0	0	0	110.3	R137 L138 F139 K143	R137-L141 WeakPolarHBondContact CD-O 3.4Å; L138-L141 WeakPolarHBondContact O-CB 3.47Å; L138-L141 WeakPolarHBondContact O-CG 3.38Å; L138-L141 PolarHBondContact O-N 3.04Å; F139-L141 HydrophobicContact CB-CG 4.32Å; F139-L141 PolarHBondContact O-N 3.36Å; L141-K143 PolarHBondContact O-N 3.39Å
142	N	91.5	Very high	91.4	Very high	63 Å²	63	104.8 Å²	104.8	34%	0.337	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	41.4	-179.4	-162.3	22.7	0	0	0	112.3	H65 M66 K68 R137	H65-N142 PolarHBondContact O-ND2 3.13Å; M66-N142 PolarHBondContact O-ND2 3.46Å; K68-N142 WeakPolarHBondContact CE-O 3.31Å; K68-N142 VanDerWaalsContact CE-OD1 3.24Å; K68-N142 WeakPolarHBondContact CE-OD1 3.13Å; K68-N142 VanDerWaalsContact NZ-C 3.35Å; K68-N142 PolarHBondContact NZ-O 3.47Å; K68-N142 PolarHBondContact NZ-OD1 2.72Å; R137-N142 WeakPolarHBondContact CD-O 3.31Å; R137-N142 PolarHBondContact NE-O 2.93Å
143	K	88.7	Confident	91.2	Very high	81 Å²	81	101.8 Å²	101.8	35%	0.352	48%	0.475	S	S	.	.			trans	-76.4	-41.3	-180	-175.4	176.2	-166.8	157.9	0	113.1	K68 D140 L141	K68-K143 PolarHBondContact NZ-O 2.71Å; K68-K143 VanDerWaalsContact NZ-O 3.12Å; D140-K143 HydrophobicContact CB-CD 4Å; D140-K143 VanDerWaalsContact O-CB 3.29Å; D140-K143 WeakPolarHBondContact O-CB 3.31Å; D140-K143 PolarHBondContact O-N 3.4Å; D140-K143 WeakPolarHBondContact OD1-CD 3.4Å; D140-K143 WeakPolarHBondContact OD1-CE 3.29Å; D140-K143 IonicContact OD1-NZ 2.8Å; D140-K143 PolarHBondContact OD1-NZ 3.14Å; D140-K143 IonicContact OD2-NZ 2.99Å; D140-K143 PolarHBondContact OD2-NZ 3.46Å; L141-K143 PolarHBondContact O-N 3.39Å
144	Y	85.1	Confident	91	Very high	203 Å²	203	104 Å²	104	80%	0.796	49%	0.487	S	S	*	.			trans	-93.5	0	-179.1	-56.7	-72.1	0	0	0	111.7	K68	K68-Y144 PolarHBondContact NZ-O 3.03Å; K68-Y144 PolarHBondContact NZ-OXT 3.09Å

Retrieved 144 of 144 residues in 389.5 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).