A0A077ZMK9_TRITR Loading...

Excisionase

AlphaFold DB , UniProt , Accession A0A077ZMK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 aa.

						>A0A077ZMK9_TRITR|A0A077ZMK9
MKKPTLAELIESAEKNMKPDDWYRQGLILKMFHGMSKTTLVEYCKEMEAIDEFKEGILRPGHSTTFIHVHTFIWFLRWKDENKYRTKKVTPKEILKEATA
					

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	64.7	Low	75.7	Confident	242 Å²	242	124.5 Å²	124.5	100%	1.192	64%	0.635	S	S	*	*				0	131	0	-68.7	175.7	-174.8	0	0	108
2	K	76.5	Confident	75.3	Confident	206 Å²	206	119.5 Å²	119.5	90%	0.896	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-69.4	134.2	171.2	-73.4	-177.5	176.9	-179.5	0	108
3	K	79.2	Confident	74.4	Confident	195 Å²	195	114.2 Å²	114.2	85%	0.848	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-70.8	134	170.1	-69.6	-176.5	179.9	179.8	0	107.6
4	P	77.6	Confident	73.7	Confident	74 Å²	74	114.6 Å²	114.6	48%	0.481	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-61.3	145.2	175.8	26.9	-34	0	0	0	109.9	E8 L9	P4-E8 WeakPolarHBondContact CA-OE2 3.29Å; P4-E8 HydrophobicContact CB-CB 4.11Å; P4-L9 HydrophobicContact CB-CD2 4.16Å; P4-L9 HydrophobicContact CB-CG 4.19Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.06Å
5	T	87.4	Confident	73.3	Confident	78 Å²	78	117.5 Å²	117.5	48%	0.479	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-69	161.6	169.9	61.9	0	0	0	0	110.4	A7 E8 L9	T5-A7 PolarHBondContact O-N 3.16Å; T5-E8 WeakPolarHBondContact CB-OE2 3.41Å; T5-E8 PolarHBondContact N-OE2 3.13Å; T5-E8 PolarHBondContact O-N 3.21Å; T5-E8 VanDerWaalsContact OG1-CG 3.31Å; T5-E8 WeakPolarHBondContact OG1-CG 3.42Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; T5-L9 WeakPolarHBondContact O-CG 3.36Å; T5-L9 PolarHBondContact O-N 3.43Å
6	L	73.5	Confident	72.6	Confident	131 Å²	131	117.4 Å²	117.4	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-57.2	-37.7	174.5	-179.7	60.6	0	0	0	111.7	L9 I10	L6-L9 PolarHBondContact O-N 3.32Å; L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD1-CG1 4.42Å; L6-I10 HydrophobicContact CG-CD1 3.96Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.47Å; L6-I10 PolarHBondContact O-N 3.43Å
7	A	76.3	Confident	71.6	Confident	69 Å²	69	115.8 Å²	115.8	57%	0.57	60%	0.598	S	S	*	*	H	α-helix	trans	-62.8	-45.8	177.3	0	0	0	0	0	112	T5 L9 I10 E11	T5-A7 PolarHBondContact O-N 3.16Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.33Å; A7-I10 PolarHBondContact O-N 3.47Å; A7-E11 WeakPolarHBondContact O-CB 3.3Å; A7-E11 PolarHBondContact O-N 3.3Å
8	E	80.3	Confident	71.3	Confident	102 Å²	102	117.3 Å²	117.3	48%	0.477	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-34.7	177	-71.5	165.6	131.1	0	0	112	P4 T5 S12	P4-E8 WeakPolarHBondContact CA-OE2 3.29Å; P4-E8 HydrophobicContact CB-CB 4.11Å; T5-E8 WeakPolarHBondContact CB-OE2 3.41Å; T5-E8 PolarHBondContact N-OE2 3.13Å; T5-E8 PolarHBondContact O-N 3.21Å; T5-E8 VanDerWaalsContact OG1-CG 3.31Å; T5-E8 WeakPolarHBondContact OG1-CG 3.42Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.26Å
9	L	73.4	Confident	70.6	Confident	97 Å²	97	116.8 Å²	116.8	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-67.2	-41.1	174.8	-69.1	173.4	0	0	0	112	P4 T5 L6 A7 A13	P4-L9 HydrophobicContact CB-CD2 4.16Å; P4-L9 HydrophobicContact CB-CG 4.19Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.06Å; T5-L9 WeakPolarHBondContact O-CG 3.36Å; T5-L9 PolarHBondContact O-N 3.43Å; L6-L9 PolarHBondContact O-N 3.32Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.33Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 3.46Å
10	I	70.7	Confident	70.5	Confident	82 Å²	82	117.4 Å²	117.4	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-66.3	-50.3	176.9	-68.5	166.2	0	0	0	109.9	L6 A7 S12 A13 E14	L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD1-CG1 4.42Å; L6-I10 HydrophobicContact CG-CD1 3.96Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.47Å; L6-I10 PolarHBondContact O-N 3.43Å; A7-I10 PolarHBondContact O-N 3.47Å; I10-S12 VanDerWaalsContact C-N 3.34Å; I10-S12 PolarHBondContact O-N 3.48Å; I10-A13 WeakPolarHBondContact O-CA 3.18Å; I10-A13 WeakPolarHBondContact O-CB 3.37Å; I10-A13 PolarHBondContact O-N 3.14Å; I10-E14 HydrophobicContact CG2-CG 4.33Å; I10-E14 WeakPolarHBondContact O-CG 3.49Å; I10-E14 PolarHBondContact O-N 3.41Å
11	E	73.5	Confident	71.2	Confident	93 Å²	93	112.8 Å²	112.8	44%	0.435	59%	0.586	S	S	.	*	H	α-helix	trans	-61.4	-42.2	-179.5	-171.7	-170.7	169	0	0	111.7	A7 A13 E14 K15	A7-E11 WeakPolarHBondContact O-CB 3.3Å; A7-E11 PolarHBondContact O-N 3.3Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.3Å; E11-E14 PolarHBondContact O-N 3.37Å; E11-K15 HydrophobicContact CG-CD 4.27Å; E11-K15 WeakPolarHBondContact O-CB 3.31Å; E11-K15 PolarHBondContact O-N 3.18Å; E11-K15 VanDerWaalsContact OE1-CE 3.29Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.65Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å
12	S	71	Confident	72.5	Confident	65 Å²	65	105 Å²	105	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-34.4	175.1	-178.9	0	0	0	0	112	E8 I10 N16	E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.26Å; I10-S12 VanDerWaalsContact C-N 3.34Å; I10-S12 PolarHBondContact O-N 3.48Å; S12-N16 PolarHBondContact O-ND2 2.88Å
13	A	63.2	Low	73.4	Confident	51 Å²	51	98.4 Å²	98.4	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-50.4	174.4	0	0	0	0	0	109.9	L9 I10 E11 N16 M17	L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 3.46Å; I10-A13 WeakPolarHBondContact O-CA 3.18Å; I10-A13 WeakPolarHBondContact O-CB 3.37Å; I10-A13 PolarHBondContact O-N 3.14Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.3Å; A13-N16 PolarHBondContact O-N 2.65Å; A13-M17 WeakPolarHBondContact O-CG 3.47Å; A13-M17 PolarHBondContact O-N 3.21Å; A13-M17 VanDerWaalsContact O-N 3.16Å
14	E	65.1	Low	74.1	Confident	119 Å²	119	94.1 Å²	94.1	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-60.6	-45.9	-179.2	-71.9	179	161.4	0	0	113.1	I10 E11 N16 M17	I10-E14 HydrophobicContact CG2-CG 4.33Å; I10-E14 WeakPolarHBondContact O-CG 3.49Å; I10-E14 PolarHBondContact O-N 3.41Å; E11-E14 PolarHBondContact O-N 3.37Å; E14-N16 PolarHBondContact O-N 3.46Å; E14-M17 WeakPolarHBondContact O-CB 3.49Å; E14-M17 PolarHBondContact O-N 3.39Å; E14-M17 VanDerWaalsContact O-N 3.08Å
15	K	67.4	Low	74.9	Confident	159 Å²	159	92.2 Å²	92.2	69%	0.691	48%	0.476	S	S	*	.	H	α-helix	trans	-63.9	-26	178.6	-82.6	-179.8	171.7	166.1	0	113.8	E11	E11-K15 HydrophobicContact CG-CD 4.27Å; E11-K15 WeakPolarHBondContact O-CB 3.31Å; E11-K15 PolarHBondContact O-N 3.18Å; E11-K15 VanDerWaalsContact OE1-CE 3.29Å; E11-K15 WeakPolarHBondContact OE1-CE 3.46Å; E11-K15 IonicContact OE1-NZ 2.65Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å
16	N	62.6	Low	75.3	Confident	116 Å²	116	90.6 Å²	90.6	62%	0.62	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-4	177.5	-70	-58.3	0	0	0	112.7	S12 A13 E14 K18	S12-N16 PolarHBondContact O-ND2 2.88Å; A13-N16 PolarHBondContact O-N 2.65Å; E14-N16 PolarHBondContact O-N 3.46Å; N16-K18 PolarHBondContact O-N 3.31Å
17	M	55.3	Low	76.2	Confident	89 Å²	89	88.3 Å²	88.3	44%	0.438	46%	0.463	S	S	.	.			trans	-67.4	118.2	178.1	-67.9	-166.9	174.6	0	0	109.8	A13 E14 H70	A13-M17 WeakPolarHBondContact O-CG 3.47Å; A13-M17 PolarHBondContact O-N 3.21Å; A13-M17 VanDerWaalsContact O-N 3.16Å; E14-M17 WeakPolarHBondContact O-CB 3.49Å; E14-M17 PolarHBondContact O-N 3.39Å; E14-M17 VanDerWaalsContact O-N 3.08Å; M17-H70 VanDerWaalsContact CE-CE1 3.41Å; M17-H70 WeakPolarHBondContact CE-CE1 3.29Å; M17-H70 WeakPolarHBondContact CG-CE1 3.43Å; M17-H70 PolarHBondContact SD-CE1 2.87Å
18	K	66.3	Low	77.1	Confident	143 Å²	143	85 Å²	85	62%	0.622	44%	0.436	S	S	*	.			trans	-102.4	137	166.3	-66.9	-176.7	-177.6	180	0	107.3	N16 D20 D21	N16-K18 PolarHBondContact O-N 3.31Å; K18-D20 PolarHBondContact O-N 3.21Å; K18-D21 PolarHBondContact N-OD2 3.07Å; K18-D21 WeakPolarHBondContact O-CB 3.31Å; K18-D21 PolarHBondContact O-N 3.26Å; K18-D21 VanDerWaalsContact O-N 3.15Å
19	P	57.7	Low	77.9	Confident	109 Å²	109	82.3 Å²	82.3	71%	0.708	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-11.1	175.8	23	-32.2	0	0	0	113.4
20	D	68.6	Low	78.9	Confident	127 Å²	127	84.7 Å²	84.7	68%	0.679	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	23.1	-179.9	-56.8	-43.2	0	0	0	114.2	K18 W22	K18-D20 PolarHBondContact O-N 3.21Å; D20-W22 PolarHBondContact O-N 2.87Å
21	D	85.5	Confident	79.9	Confident	22 Å²	22	84.9 Å²	84.9	12%	0.118	43%	0.431	C	S	.	.			trans	-75.8	61	-177.7	-86.1	-37.8	0	0	0	113.3	K18 Y23 V69 H70	K18-D21 PolarHBondContact N-OD2 3.07Å; K18-D21 WeakPolarHBondContact O-CB 3.31Å; K18-D21 PolarHBondContact O-N 3.26Å; K18-D21 VanDerWaalsContact O-N 3.15Å; D21-Y23 HydrophobicContact CB-CE2 3.73Å; D21-Y23 WeakPolarHBondContact O-CD2 3.38Å; D21-Y23 PolarHBondContact OD1-OH 2.73Å; D21-V69 HydrophobicContact CB-CG1 3.62Å; D21-V69 PolarHBondContact O-N 3.3Å; D21-H70 IonicContact OD2-NE2 3.58Å
22	W	91.9	Very high	80.9	Confident	77 Å²	77	83 Å²	83	29%	0.292	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.7	175.6	-71	91.7	0	0	0	111.3	D20 E55 G56 L58 F66 H68	D20-W22 PolarHBondContact O-N 2.87Å; W22-E55 VanDerWaalsContact CH2-O 3.25Å; W22-E55 WeakPolarHBondContact CH2-O 3.49Å; W22-G56 WeakPolarHBondContact CZ3-O 3.29Å; W22-L58 HydrophobicContact CD2-CD1 4.19Å; W22-L58 HydrophobicContact CE3-CD1 3.93Å; W22-L58 HydrophobicContact CE3-CG 4.29Å; W22-L58 HydrophobicContact CH2-CD1 3.56Å; W22-L58 HydrophobicContact CH2-CG 3.59Å; W22-L58 HydrophobicContact CZ2-CD1 3.89Å; W22-L58 HydrophobicContact CZ2-CG 4.39Å; W22-L58 HydrophobicContact CZ3-CB 4.04Å; W22-L58 HydrophobicContact CZ3-CD1 3.61Å; W22-L58 HydrophobicContact CZ3-CG 3.55Å; W22-F66 HydrophobicContact CE3-CB 3.91Å; W22-H68 HydrophobicContact CD2-CB 3.99Å; W22-H68 AromaticContact CE2-CD2 3.93Å; W22-H68 HydrophobicContact CE3-CB 3.89Å; W22-H68 HydrophobicContact CH2-CB 3.84Å; W22-H68 HydrophobicContact CZ2-CB 3.89Å; W22-H68 HydrophobicContact CZ3-CB 3.82Å; W22-H68 AromaticContact NE1-CD2 3.8Å
23	Y	94.4	Very high	81.8	Confident	68 Å²	68	88 Å²	88	27%	0.267	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.4	-174.9	-64.8	-77.6	0	0	0	112.7	D21 L27 M31 F66 I67 V69	D21-Y23 HydrophobicContact CB-CE2 3.73Å; D21-Y23 WeakPolarHBondContact O-CD2 3.38Å; D21-Y23 PolarHBondContact OD1-OH 2.73Å; Y23-L27 HydrophobicContact CD1-CB 4.07Å; Y23-L27 HydrophobicContact CD1-CD1 3.69Å; Y23-L27 HydrophobicContact CE1-CD1 4.42Å; Y23-L27 HydrophobicContact CG-CB 4.43Å; Y23-M31 HydrophobicContact CD1-CE 4.49Å; Y23-M31 HydrophobicContact CD2-CE 3.82Å; Y23-M31 HydrophobicContact CE2-CE 4.29Å; Y23-M31 HydrophobicContact CG-CE 3.93Å; Y23-F66 WeakPolarHBondContact O-CA 3.39Å; Y23-I67 PolarHBondContact N-O 2.92Å; Y23-I67 PolarHBondContact O-N 3.16Å; Y23-V69 HydrophobicContact CD2-CB 4Å; Y23-V69 HydrophobicContact CD2-CG1 4.49Å; Y23-V69 HydrophobicContact CE2-CB 4.19Å; Y23-V69 HydrophobicContact CE2-CG1 4.2Å
24	R	94.6	Very high	83.2	Confident	105 Å²	105	89.8 Å²	89.8	40%	0.396	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.2	167.3	-63.3	-67.7	-69.1	-102.5	5	109.8	G26 L27 I28 S63 T64 F66	R24-G26 PolarHBondContact O-N 3.22Å; R24-L27 PolarHBondContact O-N 2.83Å; R24-I28 PolarHBondContact O-N 2.71Å; R24-S63 PolarHBondContact NH2-O 3.24Å; R24-T64 PolarHBondContact NH2-OG1 3.13Å; R24-F66 VanDerWaalsContact CD-CE1 3.47Å; R24-F66 HydrophobicContact CG-CD1 4.2Å; R24-F66 HydrophobicContact CG-CE1 3.89Å
25	Q	94.8	Very high	84.7	Confident	35 Å²	35	86 Å²	86	16%	0.164	44%	0.443	C	S	.	.	H	α-helix	trans	-46.2	-40	177.2	-71.2	-177.5	-10.6	0	0	114	L27 I28 L29 L40 I67	Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 3.46Å; Q25-I28 PolarHBondContact O-N 3.49Å; Q25-L29 WeakPolarHBondContact O-CG 3.11Å; Q25-L29 PolarHBondContact O-N 3.08Å; Q25-L40 HydrophobicContact CB-CD2 3.76Å; Q25-L40 HydrophobicContact CG-CD2 3.92Å; Q25-L40 HydrophobicContact CG-CG 4.49Å; Q25-I67 HydrophobicContact CG-CD1 3.89Å
26	G	94.2	Very high	86.1	Confident	44 Å²	44	81 Å²	81	45%	0.454	43%	0.428	S	S	.	.	H	α-helix	trans	-62.9	-33.5	179.4	0	0	0	0	0	114.2	R24 K30	R24-G26 PolarHBondContact O-N 3.22Å; G26-K30 WeakPolarHBondContact O-CG 3.35Å; G26-K30 PolarHBondContact O-N 3.28Å
27	L	94.1	Very high	87.7	Confident	82 Å²	82	82.1 Å²	82.1	43%	0.429	43%	0.427	S	S	.	.	H	α-helix	trans	-78.3	-36.5	175.5	-71.1	175.6	0	0	0	111.2	Y23 R24 Q25 L29 K30 M31	Y23-L27 HydrophobicContact CD1-CB 4.07Å; Y23-L27 HydrophobicContact CD1-CD1 3.69Å; Y23-L27 HydrophobicContact CE1-CD1 4.42Å; Y23-L27 HydrophobicContact CG-CB 4.43Å; R24-L27 PolarHBondContact O-N 2.83Å; Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 3.46Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.74Å; L27-K30 HydrophobicContact CD2-CD 4.28Å; L27-K30 WeakPolarHBondContact O-CB 3.19Å; L27-K30 PolarHBondContact O-N 3.24Å; L27-K30 VanDerWaalsContact O-N 3.12Å; L27-M31 PolarHBondContact O-N 2.79Å
28	I	95.4	Very high	89.7	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-58	-47.5	171.8	-61.6	-77	0	0	0	110.4	R24 Q25 K30 M31 F32 L40 I67 V69 F72	R24-I28 PolarHBondContact O-N 2.71Å; Q25-I28 PolarHBondContact O-N 3.49Å; I28-K30 PolarHBondContact O-N 2.62Å; I28-M31 HydrophobicContact CD1-CE 3.75Å; I28-M31 HydrophobicContact CG1-CE 4.39Å; I28-M31 PolarHBondContact O-N 2.99Å; I28-F32 HydrophobicContact CG2-CD2 3.87Å; I28-F32 HydrophobicContact CG2-CE2 4.26Å; I28-F32 WeakPolarHBondContact O-CD2 3.38Å; I28-F32 PolarHBondContact O-N 3.13Å; I28-L40 HydrophobicContact CB-CD2 4.04Å; I28-L40 HydrophobicContact CG2-CD1 3.69Å; I28-L40 HydrophobicContact CG2-CD2 3.88Å; I28-L40 HydrophobicContact CG2-CG 4.47Å; I28-I67 HydrophobicContact CB-CD1 4.49Å; I28-I67 HydrophobicContact CD1-CB 4.07Å; I28-I67 HydrophobicContact CD1-CG2 3.99Å; I28-I67 HydrophobicContact CG1-CB 4.11Å; I28-I67 HydrophobicContact CG1-CD1 3.87Å; I28-I67 HydrophobicContact CG1-CG2 4.41Å; I28-V69 HydrophobicContact CD1-CG2 4.33Å; I28-F72 HydrophobicContact CG2-CD1 4.18Å; I28-F72 HydrophobicContact CG2-CE1 3.78Å; I28-F72 HydrophobicContact CG2-CZ 4.2Å
29	L	96.1	Very high	91.2	Very high	45 Å²	45	77.4 Å²	77.4	24%	0.236	42%	0.416	C	S	.	.	H	α-helix	trans	-62.1	-28.8	177.1	-68.4	171.7	0	0	0	113.4	Q25 L27 M35 K37 L40	Q25-L29 WeakPolarHBondContact O-CG 3.11Å; Q25-L29 PolarHBondContact O-N 3.08Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.74Å; L29-M35 HydrophobicContact CD2-CB 4.24Å; L29-M35 HydrophobicContact CD2-CG 4.21Å; L29-M35 WeakPolarHBondContact CD2-O 3.36Å; L29-K37 HydrophobicContact CD1-CB 4.05Å; L29-K37 HydrophobicContact CD1-CG 4.38Å; L29-L40 HydrophobicContact CD1-CD2 4.44Å; L29-L40 HydrophobicContact CD2-CB 4.11Å; L29-L40 HydrophobicContact CD2-CD2 3.91Å; L29-L40 HydrophobicContact CG-CD2 3.78Å
30	K	94.3	Very high	93.1	Very high	148 Å²	148	72.2 Å²	72.2	64%	0.643	38%	0.382	S	S	*	.	H	α-helix	trans	-73.8	-33.2	173.3	-74.1	179.2	-178.4	-177.3	0	112.4	G26 L27 I28 H33	G26-K30 WeakPolarHBondContact O-CG 3.35Å; G26-K30 PolarHBondContact O-N 3.28Å; L27-K30 HydrophobicContact CD2-CD 4.28Å; L27-K30 WeakPolarHBondContact O-CB 3.19Å; L27-K30 PolarHBondContact O-N 3.24Å; L27-K30 VanDerWaalsContact O-N 3.12Å; I28-K30 PolarHBondContact O-N 2.62Å; K30-H33 PolarHBondContact O-CE1 3.16Å; K30-H33 PolarHBondContact O-NE2 3.25Å; K30-H33 VanDerWaalsContact O-NE2 3.17Å
31	M	92.4	Very high	94.5	Very high	86 Å²	86	68.2 Å²	68.2	42%	0.424	36%	0.362	S	S	.	.	H	α-helix	trans	-75.3	-41	177.4	-69.7	-174.3	-76.2	0	0	112.1	Y23 L27 I28 H33 V69	Y23-M31 HydrophobicContact CD1-CE 4.49Å; Y23-M31 HydrophobicContact CD2-CE 3.82Å; Y23-M31 HydrophobicContact CE2-CE 4.29Å; Y23-M31 HydrophobicContact CG-CE 3.93Å; L27-M31 PolarHBondContact O-N 2.79Å; I28-M31 HydrophobicContact CD1-CE 3.75Å; I28-M31 HydrophobicContact CG1-CE 4.39Å; I28-M31 PolarHBondContact O-N 2.99Å; M31-H33 PolarHBondContact O-N 3.25Å; M31-V69 HydrophobicContact CE-CG2 3.97Å; M31-V69 HydrophobicContact SD-CG2 4.32Å
32	F	93.4	Very high	95	Very high	52 Å²	52	71.9 Å²	71.9	23%	0.228	38%	0.379	C	S	.	.	S	Bend	trans	-100.8	73.2	-178.7	-63.1	-86.7	0	0	0	111.1	I28 G34 M35 F72 I73 L76	I28-F32 HydrophobicContact CG2-CD2 3.87Å; I28-F32 HydrophobicContact CG2-CE2 4.26Å; I28-F32 WeakPolarHBondContact O-CD2 3.38Å; I28-F32 PolarHBondContact O-N 3.13Å; F32-G34 PolarHBondContact O-N 2.88Å; F32-M35 HydrophobicContact CB-CB 4.26Å; F32-M35 HydrophobicContact CB-CE 3.99Å; F32-M35 HydrophobicContact CG-CE 4.28Å; F32-M35 WeakPolarHBondContact O-CB 3.37Å; F32-M35 PolarHBondContact O-N 2.87Å; F32-M35 VanDerWaalsContact O-N 3.09Å; F32-F72 HydrophobicContact CD2-CD1 4.24Å; F32-F72 AromaticContact CD2-CE1 3.85Å; F32-F72 HydrophobicContact CD2-CE1 3.85Å; F32-F72 AromaticContact CE2-CD1 3.63Å; F32-F72 HydrophobicContact CE2-CD1 3.63Å; F32-F72 AromaticContact CE2-CE1 3.71Å; F32-F72 HydrophobicContact CE2-CE1 3.71Å; F32-F72 HydrophobicContact CG-CE1 4.34Å; F32-F72 AromaticContact CZ-CD1 3.87Å; F32-F72 HydrophobicContact CZ-CD1 3.87Å; F32-F72 HydrophobicContact CZ-CE1 4.08Å; F32-I73 HydrophobicContact CE1-CG1 4.43Å; F32-I73 HydrophobicContact CZ-CD1 4.43Å; F32-I73 HydrophobicContact CZ-CG1 3.78Å; F32-L76 HydrophobicContact CD1-CD1 3.98Å; F32-L76 HydrophobicContact CE1-CD1 3.57Å; F32-L76 HydrophobicContact CZ-CD1 4.09Å
33	H	90.4	Very high	95.3	Very high	172 Å²	172	70.6 Å²	70.6	80%	0.796	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	127.4	179.2	-66.6	-87.6	0	0	0	111.8	K30 M31	K30-H33 PolarHBondContact O-CE1 3.16Å; K30-H33 PolarHBondContact O-NE2 3.25Å; K30-H33 VanDerWaalsContact O-NE2 3.17Å; M31-H33 PolarHBondContact O-N 3.25Å
34	G	93.4	Very high	95.5	Very high	88 Å²	88	67.4 Å²	67.4	91%	0.907	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-9.6	-179.1	0	0	0	0	0	114.9	F32	F32-G34 PolarHBondContact O-N 2.88Å
35	M	96.1	Very high	95.6	Very high	40 Å²	40	68.8 Å²	68.8	20%	0.197	37%	0.371	C	S	.	.			trans	-74.9	131.4	171.9	-171.9	177.2	-66.4	0	0	110.8	L29 F32 T39 L40 Y43 F72 L76	L29-M35 HydrophobicContact CD2-CB 4.24Å; L29-M35 HydrophobicContact CD2-CG 4.21Å; L29-M35 WeakPolarHBondContact CD2-O 3.36Å; F32-M35 HydrophobicContact CB-CB 4.26Å; F32-M35 HydrophobicContact CB-CE 3.99Å; F32-M35 HydrophobicContact CG-CE 4.28Å; F32-M35 WeakPolarHBondContact O-CB 3.37Å; F32-M35 PolarHBondContact O-N 2.87Å; F32-M35 VanDerWaalsContact O-N 3.09Å; M35-T39 HydrophobicContact CG-CG2 4.32Å; M35-L40 HydrophobicContact CG-CB 4.44Å; M35-L40 HydrophobicContact SD-CB 3.9Å; M35-L40 HydrophobicContact SD-CD1 3.96Å; M35-L40 HydrophobicContact SD-CG 4.45Å; M35-Y43 HydrophobicContact CE-CD2 4.34Å; M35-Y43 HydrophobicContact CE-CE2 4.24Å; M35-F72 HydrophobicContact CE-CE1 4Å; M35-F72 HydrophobicContact CE-CZ 3.79Å; M35-F72 HydrophobicContact SD-CE1 4.38Å; M35-F72 HydrophobicContact SD-CZ 3.89Å; M35-L76 HydrophobicContact CE-CD2 4.4Å
36	S	97	Very high	95.7	Very high	54 Å²	54	70.3 Å²	70.3	38%	0.378	38%	0.378	S	S	.	.			trans	-79.4	153.8	173.3	86.2	0	0	0	0	111.3	T38 T39 L40	S36-T38 PolarHBondContact O-N 3.37Å; S36-T38 PolarHBondContact OG-N 2.76Å; S36-T39 PolarHBondContact O-N 3.04Å; S36-T39 WeakPolarHBondContact OG-CB 3.49Å; S36-T39 PolarHBondContact OG-N 3.02Å; S36-T39 PolarHBondContact OG-OG1 3.38Å; S36-L40 PolarHBondContact O-N 2.96Å
37	K	96.4	Very high	95.8	Very high	138 Å²	138	68.2 Å²	68.2	60%	0.6	36%	0.356	S	S	*	.	H	α-helix	trans	-58.1	-38.8	172.8	-176.3	179	177.2	-176.4	0	111.8	L29 L40 V41	L29-K37 HydrophobicContact CD1-CB 4.05Å; L29-K37 HydrophobicContact CD1-CG 4.38Å; K37-L40 PolarHBondContact O-N 2.97Å; K37-V41 WeakPolarHBondContact O-CG2 3.49Å; K37-V41 PolarHBondContact O-N 2.95Å
38	T	97.5	Very high	95.9	Very high	95 Å²	95	67.4 Å²	67.4	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-49.7	177.9	-54.2	0	0	0	0	110.8	S36 L40 V41 E42	S36-T38 PolarHBondContact O-N 3.37Å; S36-T38 PolarHBondContact OG-N 2.76Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.34Å; T38-V41 PolarHBondContact O-N 3.16Å; T38-V41 VanDerWaalsContact O-N 3.13Å; T38-E42 WeakPolarHBondContact O-CG 3.31Å; T38-E42 PolarHBondContact O-N 3.44Å
39	T	97.7	Very high	96	Very high	39 Å²	39	71.3 Å²	71.3	24%	0.239	38%	0.382	C	S	.	.	H	α-helix	trans	-58.5	-44	177.2	-53.5	0	0	0	0	111.6	M35 S36 V41 E42 Y43	M35-T39 HydrophobicContact CG-CG2 4.32Å; S36-T39 PolarHBondContact O-N 3.04Å; S36-T39 WeakPolarHBondContact OG-CB 3.49Å; S36-T39 PolarHBondContact OG-N 3.02Å; S36-T39 PolarHBondContact OG-OG1 3.38Å; T39-V41 VanDerWaalsContact C-N 3.32Å; T39-V41 PolarHBondContact O-N 2.86Å; T39-E42 PolarHBondContact O-N 3.43Å; T39-Y43 HydrophobicContact CG2-CD1 4.23Å; T39-Y43 HydrophobicContact CG2-CD2 4.3Å; T39-Y43 HydrophobicContact CG2-CE1 3.7Å; T39-Y43 HydrophobicContact CG2-CE2 3.83Å; T39-Y43 HydrophobicContact CG2-CG 4.49Å; T39-Y43 WeakPolarHBondContact O-CD1 3.02Å; T39-Y43 PolarHBondContact O-N 2.9Å
40	L	97.6	Very high	95.9	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-41.1	177.5	178.9	59.3	0	0	0	112.1	Q25 I28 L29 M35 S36 K37 T38 Y43 C44 I67 F72	Q25-L40 HydrophobicContact CB-CD2 3.76Å; Q25-L40 HydrophobicContact CG-CD2 3.92Å; Q25-L40 HydrophobicContact CG-CG 4.49Å; I28-L40 HydrophobicContact CB-CD2 4.04Å; I28-L40 HydrophobicContact CG2-CD1 3.69Å; I28-L40 HydrophobicContact CG2-CD2 3.88Å; I28-L40 HydrophobicContact CG2-CG 4.47Å; L29-L40 HydrophobicContact CD1-CD2 4.44Å; L29-L40 HydrophobicContact CD2-CB 4.11Å; L29-L40 HydrophobicContact CD2-CD2 3.91Å; L29-L40 HydrophobicContact CG-CD2 3.78Å; M35-L40 HydrophobicContact CG-CB 4.44Å; M35-L40 HydrophobicContact SD-CB 3.9Å; M35-L40 HydrophobicContact SD-CD1 3.96Å; M35-L40 HydrophobicContact SD-CG 4.45Å; S36-L40 PolarHBondContact O-N 2.96Å; K37-L40 PolarHBondContact O-N 2.97Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.34Å; L40-Y43 PolarHBondContact O-N 3.25Å; L40-C44 PolarHBondContact O-N 3.03Å; L40-C44 PolarHBondContact O-SG 3.16Å; L40-I67 HydrophobicContact CD1-CD1 4.05Å; L40-I67 HydrophobicContact CD2-CD1 4.34Å; L40-I67 HydrophobicContact CG-CD1 4.4Å; L40-F72 HydrophobicContact CD1-CE1 4.34Å; L40-F72 HydrophobicContact CD1-CE2 3.6Å; L40-F72 HydrophobicContact CD1-CZ 3.47Å; L40-F72 VanDerWaalsContact CD1-CZ 3.47Å
41	V	96.4	Very high	95.8	Very high	43 Å²	43	70 Å²	70	26%	0.261	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-41.1	177.5	169.5	0	0	0	0	111.4	K37 T38 T39 C44 K45	K37-V41 WeakPolarHBondContact O-CG2 3.49Å; K37-V41 PolarHBondContact O-N 2.95Å; T38-V41 PolarHBondContact O-N 3.16Å; T38-V41 VanDerWaalsContact O-N 3.13Å; T39-V41 VanDerWaalsContact C-N 3.32Å; T39-V41 PolarHBondContact O-N 2.86Å; V41-C44 PolarHBondContact O-N 2.81Å; V41-K45 WeakPolarHBondContact O-CG 3.43Å; V41-K45 PolarHBondContact O-N 2.87Å; V41-K45 VanDerWaalsContact O-N 3.12Å
42	E	97.6	Very high	95.7	Very high	99 Å²	99	68.4 Å²	68.4	46%	0.463	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-45.3	174.4	-70.5	171	162.1	0	0	111.1	T38 T39 C44 K45 E46	T38-E42 WeakPolarHBondContact O-CG 3.31Å; T38-E42 PolarHBondContact O-N 3.44Å; T39-E42 PolarHBondContact O-N 3.43Å; E42-C44 VanDerWaalsContact C-N 3.34Å; E42-C44 PolarHBondContact O-N 3.34Å; E42-K45 WeakPolarHBondContact O-CB 3.44Å; E42-K45 PolarHBondContact O-N 3.15Å; E42-K45 VanDerWaalsContact O-N 3.09Å; E42-E46 PolarHBondContact O-N 3.24Å
43	Y	97.7	Very high	95.8	Very high	50 Å²	50	66 Å²	66	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-39.8	178.1	-71.9	5.6	0	0	0	112.2	M35 T39 L40 K45 E46 M47 F72 F75 L76 K79	M35-Y43 HydrophobicContact CE-CD2 4.34Å; M35-Y43 HydrophobicContact CE-CE2 4.24Å; T39-Y43 HydrophobicContact CG2-CD1 4.23Å; T39-Y43 HydrophobicContact CG2-CD2 4.3Å; T39-Y43 HydrophobicContact CG2-CE1 3.7Å; T39-Y43 HydrophobicContact CG2-CE2 3.83Å; T39-Y43 HydrophobicContact CG2-CG 4.49Å; T39-Y43 WeakPolarHBondContact O-CD1 3.02Å; T39-Y43 PolarHBondContact O-N 2.9Å; L40-Y43 PolarHBondContact O-N 3.25Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 3.18Å; Y43-E46 PolarHBondContact O-N 3.28Å; Y43-M47 VanDerWaalsContact O-CG 3.29Å; Y43-M47 WeakPolarHBondContact O-CG 3.49Å; Y43-M47 PolarHBondContact O-N 2.89Å; Y43-F72 HydrophobicContact CD2-CE2 4.32Å; Y43-F72 HydrophobicContact CD2-CZ 4.21Å; Y43-F75 HydrophobicContact CD1-CE1 4.15Å; Y43-F75 HydrophobicContact CD1-CZ 4.36Å; Y43-F75 AromaticContact CD2-CE1 3.8Å; Y43-F75 HydrophobicContact CD2-CE1 3.8Å; Y43-F75 AromaticContact CG-CE1 3.59Å; Y43-F75 HydrophobicContact CG-CE1 3.59Å; Y43-F75 HydrophobicContact CG-CZ 4.18Å; Y43-L76 HydrophobicContact CD2-CD2 3.72Å; Y43-L76 HydrophobicContact CE2-CD2 3.57Å; Y43-K79 HydrophobicContact CD1-CD 4.38Å; Y43-K79 HydrophobicContact CE1-CD 3.89Å; Y43-K79 HydrophobicContact CE2-CD 4.36Å
44	C	97.2	Very high	96	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-42.6	173.1	-64.6	0	0	0	0	111.5	L40 V41 E42 M47 E48 I57	L40-C44 PolarHBondContact O-N 3.03Å; L40-C44 PolarHBondContact O-SG 3.16Å; V41-C44 PolarHBondContact O-N 2.81Å; E42-C44 VanDerWaalsContact C-N 3.34Å; E42-C44 PolarHBondContact O-N 3.34Å; C44-M47 PolarHBondContact O-N 3.47Å; C44-E48 WeakPolarHBondContact O-CG 3.36Å; C44-E48 PolarHBondContact O-N 2.89Å; C44-I57 HydrophobicContact CB-CD1 4.26Å
45	K	97.1	Very high	95.9	Very high	135 Å²	135	67 Å²	67	59%	0.587	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-39.7	177.2	-69.5	175.5	-179.8	-179.5	0	112.1	V41 E42 Y43 E48 A49	V41-K45 WeakPolarHBondContact O-CG 3.43Å; V41-K45 PolarHBondContact O-N 2.87Å; V41-K45 VanDerWaalsContact O-N 3.12Å; E42-K45 WeakPolarHBondContact O-CB 3.44Å; E42-K45 PolarHBondContact O-N 3.15Å; E42-K45 VanDerWaalsContact O-N 3.09Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 3.18Å; K45-E48 PolarHBondContact O-N 3.42Å; K45-A49 PolarHBondContact O-N 3.45Å
46	E	97.2	Very high	95.8	Very high	66 Å²	66	65.1 Å²	65.1	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-42.5	175	-71.3	-176.6	-121.6	0	0	111.7	E42 Y43 A49 F75 K79	E42-E46 PolarHBondContact O-N 3.24Å; Y43-E46 PolarHBondContact O-N 3.28Å; E46-A49 PolarHBondContact O-N 3.28Å; E46-F75 HydrophobicContact CB-CE2 3.85Å; E46-F75 HydrophobicContact CB-CZ 3.81Å; E46-K79 IonicContact OE1-NZ 2.75Å; E46-K79 PolarHBondContact OE1-NZ 3.12Å; E46-K79 IonicContact OE2-NZ 3.31Å; E46-K79 PolarHBondContact OE2-NZ 3.42Å
47	M	97.4	Very high	95.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-42.7	175	-71.5	176	72.1	0	0	111.9	Y43 C44 A49 I50 F53 K54 I57 T71 F72 F75	Y43-M47 VanDerWaalsContact O-CG 3.29Å; Y43-M47 WeakPolarHBondContact O-CG 3.49Å; Y43-M47 PolarHBondContact O-N 2.89Å; C44-M47 PolarHBondContact O-N 3.47Å; M47-A49 PolarHBondContact O-N 3.28Å; M47-I50 PolarHBondContact O-N 3.21Å; M47-F53 HydrophobicContact CB-CB 3.81Å; M47-F53 HydrophobicContact CE-CB 4.21Å; M47-F53 HydrophobicContact CG-CB 3.96Å; M47-F53 CarbonylContact O-C 3.51Å; M47-K54 WeakPolarHBondContact O-CA 3.39Å; M47-K54 PolarHBondContact O-N 3.28Å; M47-I57 HydrophobicContact CB-CD1 4.4Å; M47-I57 HydrophobicContact CB-CG1 4Å; M47-I57 HydrophobicContact CE-CD1 4.04Å; M47-I57 HydrophobicContact CE-CG1 4.26Å; M47-I57 HydrophobicContact SD-CD1 3.99Å; M47-I57 HydrophobicContact SD-CG1 4.49Å; M47-T71 HydrophobicContact CE-CG2 3.84Å; M47-F72 HydrophobicContact CE-CB 4.46Å; M47-F72 HydrophobicContact CE-CD2 4.47Å; M47-F72 HydrophobicContact SD-CD2 3.59Å; M47-F72 VanDerWaalsContact SD-CD2 3.59Å; M47-F72 HydrophobicContact SD-CE2 4.29Å; M47-F75 HydrophobicContact CE-CB 4.2Å; M47-F75 HydrophobicContact CG-CB 3.86Å; M47-F75 HydrophobicContact CG-CD1 3.89Å; M47-F75 HydrophobicContact CG-CD2 3.44Å; M47-F75 VanDerWaalsContact CG-CD2 3.44Å; M47-F75 HydrophobicContact CG-CE1 4.32Å; M47-F75 HydrophobicContact CG-CE2 3.9Å; M47-F75 HydrophobicContact CG-CG 3.42Å; M47-F75 VanDerWaalsContact CG-CG 3.42Å; M47-F75 HydrophobicContact CG-CZ 4.31Å; M47-F75 HydrophobicContact SD-CB 4Å; M47-F75 HydrophobicContact SD-CD1 4.05Å; M47-F75 HydrophobicContact SD-CG 3.93Å
48	E	96.1	Very high	95.6	Very high	65 Å²	65	61 Å²	61	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-22	177.2	-72.9	173.3	113.3	0	0	113.2	C44 K45 I57 R59	C44-E48 WeakPolarHBondContact O-CG 3.36Å; C44-E48 PolarHBondContact O-N 2.89Å; K45-E48 PolarHBondContact O-N 3.42Å; E48-I57 HydrophobicContact CG-CB 3.98Å; E48-I57 HydrophobicContact CG-CG1 4.12Å; E48-I57 HydrophobicContact CG-CG2 3.76Å; E48-R59 VanDerWaalsContact CD-NE 3.29Å; E48-R59 WeakPolarHBondContact OE1-CD 3.49Å; E48-R59 IonicContact OE1-CZ 2.8Å; E48-R59 IonicContact OE1-NE 2.74Å; E48-R59 PolarHBondContact OE1-NE 3.45Å; E48-R59 IonicContact OE1-NH2 2.65Å; E48-R59 IonicContact OE2-CZ 3.04Å; E48-R59 VanDerWaalsContact OE2-CZ 3.31Å; E48-R59 IonicContact OE2-NE 3.96Å; E48-R59 PolarHBondContact OE2-NE 3.29Å; E48-R59 IonicContact OE2-NH2 3.82Å; E48-R59 PolarHBondContact OE2-NH2 2.99Å
49	A	96.3	Very high	95.5	Very high	82 Å²	82	61.3 Å²	61.3	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.1	179.3	0	0	0	0	0	114.1	K45 E46 M47	K45-A49 PolarHBondContact O-N 3.45Å; E46-A49 PolarHBondContact O-N 3.28Å; M47-A49 PolarHBondContact O-N 3.28Å
50	I	94.5	Very high	95.1	Very high	35 Å²	35	64.3 Å²	64.3	18%	0.179	32%	0.324	C	S	.	.	S	Bend	trans	-122.4	119.6	-178.2	-60.8	168	0	0	0	108	M47 E52 F53 K54 W78 P91	M47-I50 PolarHBondContact O-N 3.21Å; I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 WeakPolarHBondContact CG2-OE2 3.41Å; I50-E52 PolarHBondContact O-N 2.82Å; I50-E52 VanDerWaalsContact O-N 3.16Å; I50-F53 HydrophobicContact CB-CD2 3.75Å; I50-F53 HydrophobicContact CB-CE2 4.49Å; I50-F53 HydrophobicContact CD1-CD2 3.83Å; I50-F53 HydrophobicContact CD1-CE2 4.02Å; I50-F53 HydrophobicContact CG1-CD2 4.39Å; I50-F53 HydrophobicContact CG2-CD2 3.57Å; I50-F53 HydrophobicContact CG2-CE2 3.97Å; I50-F53 HydrophobicContact CG2-CG 4.4Å; I50-F53 PolarHBondContact O-N 3.33Å; I50-K54 PolarHBondContact O-N 2.94Å; I50-W78 HydrophobicContact CD1-CE3 4.44Å; I50-W78 HydrophobicContact CD1-CH2 3.43Å; I50-W78 VanDerWaalsContact CD1-CH2 3.43Å; I50-W78 HydrophobicContact CD1-CZ2 4.07Å; I50-W78 HydrophobicContact CD1-CZ3 3.66Å; I50-P91 HydrophobicContact CG2-CG 3.93Å
51	D	92	Very high	94.8	Very high	131 Å²	131	66 Å²	66	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-54	-40.9	-171	-74	-21.5	0	0	0	112.9	F53	D51-F53 VanDerWaalsContact C-N 3.3Å; D51-F53 PolarHBondContact O-N 2.93Å
52	E	91.5	Very high	94.2	Very high	53 Å²	53	74.2 Å²	74.2	25%	0.248	38%	0.377	C	S	.	.	H	α-helix	trans	-65.9	-27.4	178.9	-66.8	93.8	157.7	0	0	114.5	I50 W74 P91 K92	I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 WeakPolarHBondContact CG2-OE2 3.41Å; I50-E52 PolarHBondContact O-N 2.82Å; I50-E52 VanDerWaalsContact O-N 3.16Å; E52-W74 HydrophobicContact CB-CH2 3.85Å; E52-W74 HydrophobicContact CB-CZ3 4.23Å; E52-W74 HydrophobicContact CG-CH2 4.34Å; E52-P91 HydrophobicContact CB-CB 3.84Å; E52-P91 HydrophobicContact CB-CG 4.08Å; E52-P91 HydrophobicContact CG-CB 4.04Å; E52-P91 HydrophobicContact CG-CG 4.3Å; E52-K92 HydrophobicContact CG-CG 4.3Å; E52-K92 WeakPolarHBondContact OE1-CE 3.47Å
53	F	94.4	Very high	93.7	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-99.8	-19.5	-178	-58.8	-49.4	0	0	0	113.1	M47 I50 D51 E55 G56 T71 W74 F75 W78 P91	M47-F53 HydrophobicContact CB-CB 3.81Å; M47-F53 HydrophobicContact CE-CB 4.21Å; M47-F53 HydrophobicContact CG-CB 3.96Å; M47-F53 CarbonylContact O-C 3.51Å; I50-F53 HydrophobicContact CB-CD2 3.75Å; I50-F53 HydrophobicContact CB-CE2 4.49Å; I50-F53 HydrophobicContact CD1-CD2 3.83Å; I50-F53 HydrophobicContact CD1-CE2 4.02Å; I50-F53 HydrophobicContact CG1-CD2 4.39Å; I50-F53 HydrophobicContact CG2-CD2 3.57Å; I50-F53 HydrophobicContact CG2-CE2 3.97Å; I50-F53 HydrophobicContact CG2-CG 4.4Å; I50-F53 PolarHBondContact O-N 3.33Å; D51-F53 VanDerWaalsContact C-N 3.3Å; D51-F53 PolarHBondContact O-N 2.93Å; F53-E55 PolarHBondContact O-N 3.33Å; F53-G56 PolarHBondContact O-N 2.93Å; F53-T71 HydrophobicContact CB-CG2 4.42Å; F53-T71 HydrophobicContact CD1-CG2 4.18Å; F53-W74 HydrophobicContact CD1-CD2 4.23Å; F53-W74 AromaticContact CD1-CE3 3.94Å; F53-W74 HydrophobicContact CD1-CE3 3.94Å; F53-W74 HydrophobicContact CD1-CZ3 4.29Å; F53-W74 HydrophobicContact CE1-CB 4.43Å; F53-W74 AromaticContact CE1-CD2 3.58Å; F53-W74 HydrophobicContact CE1-CD2 3.58Å; F53-W74 AromaticContact CE1-CE2 3.92Å; F53-W74 AromaticContact CE1-CE3 3.76Å; F53-W74 HydrophobicContact CE1-CE3 3.76Å; F53-W74 AromaticContact CE1-CG 3.88Å; F53-W74 HydrophobicContact CE1-CG 3.88Å; F53-W74 HydrophobicContact CE1-CZ2 4.43Å; F53-W74 HydrophobicContact CE1-CZ3 4.25Å; F53-F75 HydrophobicContact CD1-CB 4.01Å; F53-F75 HydrophobicContact CD2-CB 4.4Å; F53-F75 AromaticContact CD2-CD2 3.73Å; F53-F75 HydrophobicContact CD2-CD2 3.73Å; F53-F75 HydrophobicContact CE1-CB 4.08Å; F53-F75 HydrophobicContact CE2-CB 4.48Å; F53-F75 AromaticContact CE2-CD2 3.88Å; F53-F75 HydrophobicContact CE2-CD2 3.88Å; F53-F75 HydrophobicContact CG-CB 4.19Å; F53-F75 HydrophobicContact CG-CD2 4.22Å; F53-F75 HydrophobicContact CZ-CB 4.32Å; F53-F75 HydrophobicContact CZ-CD2 4.47Å; F53-W78 HydrophobicContact CE2-CB 4.32Å; F53-W78 AromaticContact CE2-CD2 3.71Å; F53-W78 HydrophobicContact CE2-CD2 3.71Å; F53-W78 AromaticContact CE2-CE3 3.72Å; F53-W78 HydrophobicContact CE2-CE3 3.72Å; F53-W78 AromaticContact CE2-CG 3.98Å; F53-W78 HydrophobicContact CE2-CG 3.98Å; F53-W78 HydrophobicContact CE2-CZ3 4.33Å; F53-W78 HydrophobicContact CZ-CB 3.67Å; F53-W78 AromaticContact CZ-CD2 3.96Å; F53-W78 HydrophobicContact CZ-CD2 3.96Å; F53-W78 HydrophobicContact CZ-CE3 4.24Å; F53-W78 AromaticContact CZ-CG 3.7Å; F53-W78 HydrophobicContact CZ-CG 3.7Å; F53-P91 HydrophobicContact CD2-CG 4.31Å; F53-P91 HydrophobicContact CE1-CB 3.96Å; F53-P91 HydrophobicContact CE1-CG 4.31Å; F53-P91 HydrophobicContact CE2-CB 4.06Å; F53-P91 HydrophobicContact CE2-CG 3.5Å; F53-P91 HydrophobicContact CZ-CB 3.51Å; F53-P91 HydrophobicContact CZ-CG 3.5Å
54	K	94.6	Very high	93.4	Very high	116 Å²	116	73.5 Å²	73.5	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-58.3	-36.3	-176.8	-176.1	178.4	178.6	-177.5	0	112.5	M47 I50 G56 I57	M47-K54 WeakPolarHBondContact O-CA 3.39Å; M47-K54 PolarHBondContact O-N 3.28Å; I50-K54 PolarHBondContact O-N 2.94Å; K54-G56 PolarHBondContact O-N 3.42Å; K54-G56 VanDerWaalsContact O-N 3.16Å; K54-I57 PolarHBondContact O-N 3.31Å; K54-I57 VanDerWaalsContact O-N 3.13Å
55	E	91	Very high	93.3	Very high	167 Å²	167	73.9 Å²	73.9	78%	0.78	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.6	176.1	-63.2	-170.6	150.2	0	0	113.4	W22 F53 I57	W22-E55 VanDerWaalsContact CH2-O 3.25Å; W22-E55 WeakPolarHBondContact CH2-O 3.49Å; F53-E55 PolarHBondContact O-N 3.33Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.08Å
56	G	94	Very high	93.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1.1	174.9	0	0	0	0	0	114.8	W22 F53 K54 I67 H68	W22-G56 WeakPolarHBondContact CZ3-O 3.29Å; F53-G56 PolarHBondContact O-N 2.93Å; K54-G56 PolarHBondContact O-N 3.42Å; K54-G56 VanDerWaalsContact O-N 3.16Å; G56-I67 WeakPolarHBondContact O-CA 3.47Å; G56-H68 PolarHBondContact O-N 3.26Å
57	I	96.2	Very high	93.2	Very high	15 Å²	15	67.6 Å²	67.6	8%	0.077	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.7	-175.9	-56.6	-64.5	0	0	0	110.4	C44 M47 E48 K54 E55 R59 T65 I67	C44-I57 HydrophobicContact CB-CD1 4.26Å; M47-I57 HydrophobicContact CB-CD1 4.4Å; M47-I57 HydrophobicContact CB-CG1 4Å; M47-I57 HydrophobicContact CE-CD1 4.04Å; M47-I57 HydrophobicContact CE-CG1 4.26Å; M47-I57 HydrophobicContact SD-CD1 3.99Å; M47-I57 HydrophobicContact SD-CG1 4.49Å; E48-I57 HydrophobicContact CG-CB 3.98Å; E48-I57 HydrophobicContact CG-CG1 4.12Å; E48-I57 HydrophobicContact CG-CG2 3.76Å; K54-I57 PolarHBondContact O-N 3.31Å; K54-I57 VanDerWaalsContact O-N 3.13Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.08Å; I57-R59 HydrophobicContact CG2-CG 4.22Å; I57-T65 HydrophobicContact CG2-CG2 4.24Å; I57-I67 HydrophobicContact CD1-CB 4.5Å; I57-I67 HydrophobicContact CD1-CG1 3.99Å; I57-I67 HydrophobicContact CD1-CG2 4.27Å
58	L	94.1	Very high	93	Very high	90 Å²	90	69.1 Å²	69.1	47%	0.471	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.7	174.1	-70.9	173.1	0	0	0	111.2	W22 P60 T65 F66	W22-L58 HydrophobicContact CD2-CD1 4.19Å; W22-L58 HydrophobicContact CE3-CD1 3.93Å; W22-L58 HydrophobicContact CE3-CG 4.29Å; W22-L58 HydrophobicContact CH2-CD1 3.56Å; W22-L58 HydrophobicContact CH2-CG 3.59Å; W22-L58 HydrophobicContact CZ2-CD1 3.89Å; W22-L58 HydrophobicContact CZ2-CG 4.39Å; W22-L58 HydrophobicContact CZ3-CB 4.04Å; W22-L58 HydrophobicContact CZ3-CD1 3.61Å; W22-L58 HydrophobicContact CZ3-CG 3.55Å; L58-P60 WeakPolarHBondContact O-CD 3.17Å; L58-T65 WeakPolarHBondContact O-CA 3.25Å; L58-F66 HydrophobicContact CB-CB 4.19Å; L58-F66 PolarHBondContact N-O 3.01Å; L58-F66 PolarHBondContact O-N 3.09Å
59	R	94	Very high	92.9	Very high	102 Å²	102	66.6 Å²	66.6	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	76.6	179.4	-64	-175.4	-173.8	-90.8	-0	112.5	E48 I57 G61 T64 T65	E48-R59 VanDerWaalsContact CD-NE 3.29Å; E48-R59 WeakPolarHBondContact OE1-CD 3.49Å; E48-R59 IonicContact OE1-CZ 2.8Å; E48-R59 IonicContact OE1-NE 2.74Å; E48-R59 PolarHBondContact OE1-NE 3.45Å; E48-R59 IonicContact OE1-NH2 2.65Å; E48-R59 IonicContact OE2-CZ 3.04Å; E48-R59 VanDerWaalsContact OE2-CZ 3.31Å; E48-R59 IonicContact OE2-NE 3.96Å; E48-R59 PolarHBondContact OE2-NE 3.29Å; E48-R59 IonicContact OE2-NH2 3.82Å; E48-R59 PolarHBondContact OE2-NH2 2.99Å; I57-R59 HydrophobicContact CG2-CG 4.22Å; R59-G61 PolarHBondContact O-N 3.24Å; R59-T64 WeakPolarHBondContact CA-O 3.48Å; R59-T65 HydrophobicContact CG-CG2 4.22Å; R59-T65 PolarHBondContact NH1-OG1 3.19Å
60	P	90.5	Very high	92.5	Very high	101 Å²	101	65.1 Å²	65.1	66%	0.656	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	-9.3	-178	28.4	-35.9	0	0	0	114.5	L58 T64 F66	L58-P60 WeakPolarHBondContact O-CD 3.17Å; P60-T64 HydrophobicContact CG-CG2 3.66Å; P60-F66 HydrophobicContact CG-CD2 4.33Å; P60-F66 HydrophobicContact CG-CE2 4.21Å
61	G	90.2	Very high	92.4	Very high	37 Å²	37	64.4 Å²	64.4	38%	0.381	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	177.4	177.9	0	0	0	0	0	112.5	R59 S63 T64	R59-G61 PolarHBondContact O-N 3.24Å; G61-S63 PolarHBondContact O-N 3.5Å; G61-S63 VanDerWaalsContact O-N 3.11Å; G61-T64 PolarHBondContact O-N 3.47Å
62	H	84.5	Confident	92.6	Very high	214 Å²	214	58.2 Å²	58.2	99%	0.991	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	-171.3	-61.3	-69.2	0	0	0	115.1
63	S	87	Confident	92.7	Very high	104 Å²	104	58.6 Å²	58.6	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	8.5	-175.4	63	0	0	0	0	114.1	R24 G61	R24-S63 PolarHBondContact NH2-O 3.24Å; G61-S63 PolarHBondContact O-N 3.5Å; G61-S63 VanDerWaalsContact O-N 3.11Å
64	T	92.1	Very high	92.6	Very high	30 Å²	30	61 Å²	61	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123	-177.4	-65.2	0	0	0	0	110	R24 R59 P60 G61 F66	R24-T64 PolarHBondContact NH2-OG1 3.13Å; R59-T64 WeakPolarHBondContact CA-O 3.48Å; P60-T64 HydrophobicContact CG-CG2 3.66Å; G61-T64 PolarHBondContact O-N 3.47Å; T64-F66 HydrophobicContact CG2-CD2 3.81Å; T64-F66 HydrophobicContact CG2-CE2 3.4Å; T64-F66 VanDerWaalsContact CG2-CE2 3.4Å; T64-F66 HydrophobicContact CG2-CZ 4.2Å
65	T	95.6	Very high	92.7	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.6	175.3	-51.9	0	0	0	0	107.7	I57 L58 R59 I67	I57-T65 HydrophobicContact CG2-CG2 4.24Å; L58-T65 WeakPolarHBondContact O-CA 3.25Å; R59-T65 HydrophobicContact CG-CG2 4.22Å; R59-T65 PolarHBondContact NH1-OG1 3.19Å; T65-I67 HydrophobicContact CG2-CG1 4.15Å
66	F	95	Very high	92.9	Very high	69 Å²	69	49.3 Å²	49.3	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139	167.2	-66.3	-85.5	0	0	0	108.7	W22 Y23 R24 L58 P60 T64	W22-F66 HydrophobicContact CE3-CB 3.91Å; Y23-F66 WeakPolarHBondContact O-CA 3.39Å; R24-F66 VanDerWaalsContact CD-CE1 3.47Å; R24-F66 HydrophobicContact CG-CD1 4.2Å; R24-F66 HydrophobicContact CG-CE1 3.89Å; L58-F66 HydrophobicContact CB-CB 4.19Å; L58-F66 PolarHBondContact N-O 3.01Å; L58-F66 PolarHBondContact O-N 3.09Å; P60-F66 HydrophobicContact CG-CD2 4.33Å; P60-F66 HydrophobicContact CG-CE2 4.21Å; T64-F66 HydrophobicContact CG2-CD2 3.81Å; T64-F66 HydrophobicContact CG2-CE2 3.4Å; T64-F66 VanDerWaalsContact CG2-CE2 3.4Å; T64-F66 HydrophobicContact CG2-CZ 4.2Å
67	I	96.2	Very high	92.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.1	-176.1	-60.3	158.2	0	0	0	106.5	Y23 Q25 I28 L40 G56 I57 T65 V69 F72	Y23-I67 PolarHBondContact N-O 2.92Å; Y23-I67 PolarHBondContact O-N 3.16Å; Q25-I67 HydrophobicContact CG-CD1 3.89Å; I28-I67 HydrophobicContact CB-CD1 4.49Å; I28-I67 HydrophobicContact CD1-CB 4.07Å; I28-I67 HydrophobicContact CD1-CG2 3.99Å; I28-I67 HydrophobicContact CG1-CB 4.11Å; I28-I67 HydrophobicContact CG1-CD1 3.87Å; I28-I67 HydrophobicContact CG1-CG2 4.41Å; L40-I67 HydrophobicContact CD1-CD1 4.05Å; L40-I67 HydrophobicContact CD2-CD1 4.34Å; L40-I67 HydrophobicContact CG-CD1 4.4Å; G56-I67 WeakPolarHBondContact O-CA 3.47Å; I57-I67 HydrophobicContact CD1-CB 4.5Å; I57-I67 HydrophobicContact CD1-CG1 3.99Å; I57-I67 HydrophobicContact CD1-CG2 4.27Å; T65-I67 HydrophobicContact CG2-CG1 4.15Å; I67-V69 PolarHBondContact O-N 3.2Å; I67-F72 HydrophobicContact CG2-CB 3.69Å; I67-F72 HydrophobicContact CG2-CD2 3.99Å; I67-F72 HydrophobicContact CG2-CG 3.96Å
68	H	94.3	Very high	92.7	Very high	32 Å²	32	57.3 Å²	57.3	15%	0.148	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115	171.6	-174.9	-114.7	0	0	0	108.7	W22 G56 H70 T71 F72	W22-H68 HydrophobicContact CD2-CB 3.99Å; W22-H68 AromaticContact CE2-CD2 3.93Å; W22-H68 HydrophobicContact CE3-CB 3.89Å; W22-H68 HydrophobicContact CH2-CB 3.84Å; W22-H68 HydrophobicContact CZ2-CB 3.89Å; W22-H68 HydrophobicContact CZ3-CB 3.82Å; W22-H68 AromaticContact NE1-CD2 3.8Å; G56-H68 PolarHBondContact O-N 3.26Å; H68-H70 VanDerWaalsContact C-N 3.3Å; H68-H70 AromaticContact CE1-CD2 3.84Å; H68-H70 AromaticContact NE2-CD2 3.83Å; H68-H70 PolarHBondContact O-N 3.22Å; H68-T71 PolarHBondContact ND1-N 3.18Å; H68-T71 PolarHBondContact ND1-OG1 2.97Å; H68-T71 PolarHBondContact O-N 2.77Å; H68-F72 PolarHBondContact O-N 2.96Å
69	V	93.3	Very high	92.8	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-36.4	-167.7	75	0	0	0	0	112.6	D21 Y23 I28 M31 I67 F72 I73	D21-V69 HydrophobicContact CB-CG1 3.62Å; D21-V69 PolarHBondContact O-N 3.3Å; Y23-V69 HydrophobicContact CD2-CB 4Å; Y23-V69 HydrophobicContact CD2-CG1 4.49Å; Y23-V69 HydrophobicContact CE2-CB 4.19Å; Y23-V69 HydrophobicContact CE2-CG1 4.2Å; I28-V69 HydrophobicContact CD1-CG2 4.33Å; M31-V69 HydrophobicContact CE-CG2 3.97Å; M31-V69 HydrophobicContact SD-CG2 4.32Å; I67-V69 PolarHBondContact O-N 3.2Å; V69-F72 WeakPolarHBondContact O-CB 3.45Å; V69-F72 PolarHBondContact O-N 2.93Å; V69-I73 HydrophobicContact CG2-CD1 4.22Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.29Å
70	H	88.7	Confident	92.8	Very high	50 Å²	50	56.2 Å²	56.2	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-42.4	-179.8	-60.1	-62.7	0	0	0	111.6	M17 D21 H68 F72 I73 W74	M17-H70 VanDerWaalsContact CE-CE1 3.41Å; M17-H70 WeakPolarHBondContact CE-CE1 3.29Å; M17-H70 WeakPolarHBondContact CG-CE1 3.43Å; M17-H70 PolarHBondContact SD-CE1 2.87Å; D21-H70 IonicContact OD2-NE2 3.58Å; H68-H70 VanDerWaalsContact C-N 3.3Å; H68-H70 AromaticContact CE1-CD2 3.84Å; H68-H70 AromaticContact NE2-CD2 3.83Å; H68-H70 PolarHBondContact O-N 3.22Å; H70-F72 VanDerWaalsContact C-N 3.27Å; H70-F72 PolarHBondContact O-N 3.18Å; H70-I73 PolarHBondContact O-N 2.63Å; H70-W74 WeakPolarHBondContact O-CB 3.34Å; H70-W74 PolarHBondContact O-N 3.42Å
71	T	92.3	Very high	92.8	Very high	21 Å²	21	54.9 Å²	54.9	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-35.8	175.2	-50.9	0	0	0	0	110.7	M47 F53 H68 W74 F75	M47-T71 HydrophobicContact CE-CG2 3.84Å; F53-T71 HydrophobicContact CB-CG2 4.42Å; F53-T71 HydrophobicContact CD1-CG2 4.18Å; H68-T71 PolarHBondContact ND1-N 3.18Å; H68-T71 PolarHBondContact ND1-OG1 2.97Å; H68-T71 PolarHBondContact O-N 2.77Å; T71-W74 HydrophobicContact CG2-CE3 4.48Å; T71-W74 PolarHBondContact O-N 2.98Å; T71-F75 WeakPolarHBondContact O-CB 3.43Å; T71-F75 PolarHBondContact O-N 3.35Å
72	F	95.5	Very high	93	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-45.3	173.7	-171.8	-109.8	0	0	0	112.4	I28 F32 M35 L40 Y43 M47 I67 H68 V69 H70 W74 F75 L76	I28-F72 HydrophobicContact CG2-CD1 4.18Å; I28-F72 HydrophobicContact CG2-CE1 3.78Å; I28-F72 HydrophobicContact CG2-CZ 4.2Å; F32-F72 HydrophobicContact CD2-CD1 4.24Å; F32-F72 AromaticContact CD2-CE1 3.85Å; F32-F72 HydrophobicContact CD2-CE1 3.85Å; F32-F72 AromaticContact CE2-CD1 3.63Å; F32-F72 HydrophobicContact CE2-CD1 3.63Å; F32-F72 AromaticContact CE2-CE1 3.71Å; F32-F72 HydrophobicContact CE2-CE1 3.71Å; F32-F72 HydrophobicContact CG-CE1 4.34Å; F32-F72 AromaticContact CZ-CD1 3.87Å; F32-F72 HydrophobicContact CZ-CD1 3.87Å; F32-F72 HydrophobicContact CZ-CE1 4.08Å; M35-F72 HydrophobicContact CE-CE1 4Å; M35-F72 HydrophobicContact CE-CZ 3.79Å; M35-F72 HydrophobicContact SD-CE1 4.38Å; M35-F72 HydrophobicContact SD-CZ 3.89Å; L40-F72 HydrophobicContact CD1-CE1 4.34Å; L40-F72 HydrophobicContact CD1-CE2 3.6Å; L40-F72 HydrophobicContact CD1-CZ 3.47Å; L40-F72 VanDerWaalsContact CD1-CZ 3.47Å; Y43-F72 HydrophobicContact CD2-CE2 4.32Å; Y43-F72 HydrophobicContact CD2-CZ 4.21Å; M47-F72 HydrophobicContact CE-CB 4.46Å; M47-F72 HydrophobicContact CE-CD2 4.47Å; M47-F72 HydrophobicContact SD-CD2 3.59Å; M47-F72 VanDerWaalsContact SD-CD2 3.59Å; M47-F72 HydrophobicContact SD-CE2 4.29Å; I67-F72 HydrophobicContact CG2-CB 3.69Å; I67-F72 HydrophobicContact CG2-CD2 3.99Å; I67-F72 HydrophobicContact CG2-CG 3.96Å; H68-F72 PolarHBondContact O-N 2.96Å; V69-F72 WeakPolarHBondContact O-CB 3.45Å; V69-F72 PolarHBondContact O-N 2.93Å; H70-F72 VanDerWaalsContact C-N 3.27Å; H70-F72 PolarHBondContact O-N 3.18Å; F72-W74 VanDerWaalsContact C-N 3.33Å; F72-W74 PolarHBondContact O-N 2.85Å; F72-F75 WeakPolarHBondContact O-CB 3.36Å; F72-F75 PolarHBondContact O-N 2.75Å; F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CD1-CG 4.44Å; F72-L76 HydrophobicContact CE1-CD1 3.75Å; F72-L76 HydrophobicContact CE1-CD2 4.46Å; F72-L76 HydrophobicContact CE1-CG 4.21Å; F72-L76 HydrophobicContact CZ-CD1 4.36Å; F72-L76 HydrophobicContact CZ-CD2 4.25Å; F72-L76 HydrophobicContact CZ-CG 4.42Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 3.24Å
73	I	93.3	Very high	93.4	Very high	61 Å²	61	49.6 Å²	49.6	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-42.3	175.2	-69	165.2	0	0	0	110.8	F32 V69 H70 L76 R77	F32-I73 HydrophobicContact CE1-CG1 4.43Å; F32-I73 HydrophobicContact CZ-CD1 4.43Å; F32-I73 HydrophobicContact CZ-CG1 3.78Å; V69-I73 HydrophobicContact CG2-CD1 4.22Å; V69-I73 WeakPolarHBondContact O-CG1 3.44Å; V69-I73 PolarHBondContact O-N 3.29Å; H70-I73 PolarHBondContact O-N 2.63Å; I73-L76 PolarHBondContact O-N 3.42Å; I73-R77 WeakPolarHBondContact O-CG 3.32Å; I73-R77 PolarHBondContact O-N 3.34Å
74	W	92.6	Very high	93.6	Very high	50 Å²	50	53.9 Å²	53.9	19%	0.189	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-44	176	-179.4	27.5	0	0	0	111.6	E52 F53 H70 T71 F72 L76 R77 W78 P91 L95	E52-W74 HydrophobicContact CB-CH2 3.85Å; E52-W74 HydrophobicContact CB-CZ3 4.23Å; E52-W74 HydrophobicContact CG-CH2 4.34Å; F53-W74 HydrophobicContact CD1-CD2 4.23Å; F53-W74 AromaticContact CD1-CE3 3.94Å; F53-W74 HydrophobicContact CD1-CE3 3.94Å; F53-W74 HydrophobicContact CD1-CZ3 4.29Å; F53-W74 HydrophobicContact CE1-CB 4.43Å; F53-W74 AromaticContact CE1-CD2 3.58Å; F53-W74 HydrophobicContact CE1-CD2 3.58Å; F53-W74 AromaticContact CE1-CE2 3.92Å; F53-W74 AromaticContact CE1-CE3 3.76Å; F53-W74 HydrophobicContact CE1-CE3 3.76Å; F53-W74 AromaticContact CE1-CG 3.88Å; F53-W74 HydrophobicContact CE1-CG 3.88Å; F53-W74 HydrophobicContact CE1-CZ2 4.43Å; F53-W74 HydrophobicContact CE1-CZ3 4.25Å; H70-W74 WeakPolarHBondContact O-CB 3.34Å; H70-W74 PolarHBondContact O-N 3.42Å; T71-W74 HydrophobicContact CG2-CE3 4.48Å; T71-W74 PolarHBondContact O-N 2.98Å; F72-W74 VanDerWaalsContact C-N 3.33Å; F72-W74 PolarHBondContact O-N 2.85Å; W74-L76 PolarHBondContact O-N 2.96Å; W74-R77 PolarHBondContact O-N 2.88Å; W74-W78 WeakPolarHBondContact O-CB 3.32Å; W74-W78 PolarHBondContact O-N 2.94Å; W74-P91 HydrophobicContact CH2-CB 4.14Å; W74-P91 HydrophobicContact CZ2-CB 3.61Å; W74-P91 VanDerWaalsContact CZ2-O 3.31Å; W74-P91 WeakPolarHBondContact CZ2-O 3.37Å; W74-P91 PolarHBondContact NE1-O 3.09Å; W74-L95 HydrophobicContact CZ2-CB 4.07Å; W74-L95 HydrophobicContact CZ2-CD2 4.37Å
75	F	96	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-44.9	172.2	166.9	-97	0	0	0	112.1	Y43 E46 M47 F53 T71 F72 R77 W78 K79	Y43-F75 HydrophobicContact CD1-CE1 4.15Å; Y43-F75 HydrophobicContact CD1-CZ 4.36Å; Y43-F75 AromaticContact CD2-CE1 3.8Å; Y43-F75 HydrophobicContact CD2-CE1 3.8Å; Y43-F75 AromaticContact CG-CE1 3.59Å; Y43-F75 HydrophobicContact CG-CE1 3.59Å; Y43-F75 HydrophobicContact CG-CZ 4.18Å; E46-F75 HydrophobicContact CB-CE2 3.85Å; E46-F75 HydrophobicContact CB-CZ 3.81Å; M47-F75 HydrophobicContact CE-CB 4.2Å; M47-F75 HydrophobicContact CG-CB 3.86Å; M47-F75 HydrophobicContact CG-CD1 3.89Å; M47-F75 HydrophobicContact CG-CD2 3.44Å; M47-F75 VanDerWaalsContact CG-CD2 3.44Å; M47-F75 HydrophobicContact CG-CE1 4.32Å; M47-F75 HydrophobicContact CG-CE2 3.9Å; M47-F75 HydrophobicContact CG-CG 3.42Å; M47-F75 VanDerWaalsContact CG-CG 3.42Å; M47-F75 HydrophobicContact CG-CZ 4.31Å; M47-F75 HydrophobicContact SD-CB 4Å; M47-F75 HydrophobicContact SD-CD1 4.05Å; M47-F75 HydrophobicContact SD-CG 3.93Å; F53-F75 HydrophobicContact CD1-CB 4.01Å; F53-F75 HydrophobicContact CD2-CB 4.4Å; F53-F75 AromaticContact CD2-CD2 3.73Å; F53-F75 HydrophobicContact CD2-CD2 3.73Å; F53-F75 HydrophobicContact CE1-CB 4.08Å; F53-F75 HydrophobicContact CE2-CB 4.48Å; F53-F75 AromaticContact CE2-CD2 3.88Å; F53-F75 HydrophobicContact CE2-CD2 3.88Å; F53-F75 HydrophobicContact CG-CB 4.19Å; F53-F75 HydrophobicContact CG-CD2 4.22Å; F53-F75 HydrophobicContact CZ-CB 4.32Å; F53-F75 HydrophobicContact CZ-CD2 4.47Å; T71-F75 WeakPolarHBondContact O-CB 3.43Å; T71-F75 PolarHBondContact O-N 3.35Å; F72-F75 WeakPolarHBondContact O-CB 3.36Å; F72-F75 PolarHBondContact O-N 2.75Å; F75-R77 PolarHBondContact O-N 3.24Å; F75-W78 HydrophobicContact CD2-CE3 4.13Å; F75-W78 HydrophobicContact CD2-CZ3 4.39Å; F75-W78 HydrophobicContact CE2-CE3 4.19Å; F75-W78 HydrophobicContact CE2-CZ3 4.05Å; F75-W78 PolarHBondContact O-N 3.04Å; F75-K79 HydrophobicContact CE1-CD 3.99Å; F75-K79 HydrophobicContact CZ-CD 3.88Å; F75-K79 VanDerWaalsContact O-CB 3.29Å; F75-K79 WeakPolarHBondContact O-CB 3.38Å; F75-K79 PolarHBondContact O-N 2.8Å
76	L	95	Very high	93	Very high	39 Å²	39	64.8 Å²	64.8	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-43.1	178.3	-68.5	178.7	0	0	0	111.9	F32 M35 Y43 F72 I73 W74 K79 D80	F32-L76 HydrophobicContact CD1-CD1 3.98Å; F32-L76 HydrophobicContact CE1-CD1 3.57Å; F32-L76 HydrophobicContact CZ-CD1 4.09Å; M35-L76 HydrophobicContact CE-CD2 4.4Å; Y43-L76 HydrophobicContact CD2-CD2 3.72Å; Y43-L76 HydrophobicContact CE2-CD2 3.57Å; F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CD1-CG 4.44Å; F72-L76 HydrophobicContact CE1-CD1 3.75Å; F72-L76 HydrophobicContact CE1-CD2 4.46Å; F72-L76 HydrophobicContact CE1-CG 4.21Å; F72-L76 HydrophobicContact CZ-CD1 4.36Å; F72-L76 HydrophobicContact CZ-CD2 4.25Å; F72-L76 HydrophobicContact CZ-CG 4.42Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 3.24Å; I73-L76 PolarHBondContact O-N 3.42Å; W74-L76 PolarHBondContact O-N 2.96Å; L76-K79 PolarHBondContact O-N 3.4Å; L76-D80 WeakPolarHBondContact O-CB 3.37Å; L76-D80 PolarHBondContact O-N 3.41Å
77	R	92.9	Very high	92.7	Very high	166 Å²	166	70.3 Å²	70.3	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-62.4	-46.9	176	-71.2	179.9	179.2	-88.6	3.2	111.7	I73 W74 F75 K79 D80 E81 I94	I73-R77 WeakPolarHBondContact O-CG 3.32Å; I73-R77 PolarHBondContact O-N 3.34Å; W74-R77 PolarHBondContact O-N 2.88Å; F75-R77 PolarHBondContact O-N 3.24Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.09Å; R77-D80 PolarHBondContact O-N 2.94Å; R77-E81 PolarHBondContact O-N 2.93Å; R77-I94 HydrophobicContact CB-CG2 4.48Å
78	W	94.7	Very high	92.3	Very high	17 Å²	17	76.9 Å²	76.9	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-41	175.6	171.5	85.6	0	0	0	112.1	I50 F53 W74 F75 N82 K88 V89 P91 I94	I50-W78 HydrophobicContact CD1-CE3 4.44Å; I50-W78 HydrophobicContact CD1-CH2 3.43Å; I50-W78 VanDerWaalsContact CD1-CH2 3.43Å; I50-W78 HydrophobicContact CD1-CZ2 4.07Å; I50-W78 HydrophobicContact CD1-CZ3 3.66Å; F53-W78 HydrophobicContact CE2-CB 4.32Å; F53-W78 AromaticContact CE2-CD2 3.71Å; F53-W78 HydrophobicContact CE2-CD2 3.71Å; F53-W78 AromaticContact CE2-CE3 3.72Å; F53-W78 HydrophobicContact CE2-CE3 3.72Å; F53-W78 AromaticContact CE2-CG 3.98Å; F53-W78 HydrophobicContact CE2-CG 3.98Å; F53-W78 HydrophobicContact CE2-CZ3 4.33Å; F53-W78 HydrophobicContact CZ-CB 3.67Å; F53-W78 AromaticContact CZ-CD2 3.96Å; F53-W78 HydrophobicContact CZ-CD2 3.96Å; F53-W78 HydrophobicContact CZ-CE3 4.24Å; F53-W78 AromaticContact CZ-CG 3.7Å; F53-W78 HydrophobicContact CZ-CG 3.7Å; W74-W78 WeakPolarHBondContact O-CB 3.32Å; W74-W78 PolarHBondContact O-N 2.94Å; F75-W78 HydrophobicContact CD2-CE3 4.13Å; F75-W78 HydrophobicContact CD2-CZ3 4.39Å; F75-W78 HydrophobicContact CE2-CE3 4.19Å; F75-W78 HydrophobicContact CE2-CZ3 4.05Å; F75-W78 PolarHBondContact O-N 3.04Å; W78-N82 VanDerWaalsContact CE2-ND2 3.34Å; W78-N82 PolarHBondContact NE1-ND2 3.1Å; W78-N82 WeakPolarHBondContact O-CB 3.41Å; W78-N82 PolarHBondContact O-N 2.86Å; W78-N82 VanDerWaalsContact O-N 3.08Å; W78-N82 PolarHBondContact O-ND2 3.26Å; W78-K88 HydrophobicContact CZ2-CD 4.33Å; W78-V89 PolarHBondContact NE1-O 3.17Å; W78-P91 HydrophobicContact CG-CG 4.46Å; W78-I94 HydrophobicContact CB-CG1 4.3Å
79	K	94.8	Very high	92.1	Very high	55 Å²	55	76.5 Å²	76.5	24%	0.239	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-40.3	179.2	-168.8	-179	-177.8	79.8	0	111.8	Y43 E46 F75 L76 R77 N82 K83	Y43-K79 HydrophobicContact CD1-CD 4.38Å; Y43-K79 HydrophobicContact CE1-CD 3.89Å; Y43-K79 HydrophobicContact CE2-CD 4.36Å; E46-K79 IonicContact OE1-NZ 2.75Å; E46-K79 PolarHBondContact OE1-NZ 3.12Å; E46-K79 IonicContact OE2-NZ 3.31Å; E46-K79 PolarHBondContact OE2-NZ 3.42Å; F75-K79 HydrophobicContact CE1-CD 3.99Å; F75-K79 HydrophobicContact CZ-CD 3.88Å; F75-K79 VanDerWaalsContact O-CB 3.29Å; F75-K79 WeakPolarHBondContact O-CB 3.38Å; F75-K79 PolarHBondContact O-N 2.8Å; L76-K79 PolarHBondContact O-N 3.4Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.09Å; K79-N82 PolarHBondContact O-N 3.37Å; K79-K83 PolarHBondContact O-N 3.04Å
80	D	93.8	Very high	92	Very high	113 Å²	113	79 Å²	79	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-48	176.4	-167.8	53	0	0	0	111.2	L76 R77 N82 K83	L76-D80 WeakPolarHBondContact O-CB 3.37Å; L76-D80 PolarHBondContact O-N 3.41Å; R77-D80 PolarHBondContact O-N 2.94Å; D80-N82 PolarHBondContact O-N 2.92Å; D80-K83 WeakPolarHBondContact O-CB 3.4Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 VanDerWaalsContact O-N 3.09Å
81	E	91.8	Very high	92	Very high	74 Å²	74	76.9 Å²	76.9	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-34.2	179.3	-169.1	54	-130.9	0	0	112.4	R77 R85 V89 I94	R77-E81 PolarHBondContact O-N 2.93Å; E81-R85 WeakPolarHBondContact O-CD 3.34Å; E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 PolarHBondContact O-NE 3.46Å; E81-R85 VanDerWaalsContact O-NE 3.13Å; E81-R85 IonicContact OE1-CZ 3.19Å; E81-R85 IonicContact OE1-NE 2.99Å; E81-R85 PolarHBondContact OE1-NE 2.92Å; E81-R85 IonicContact OE1-NH2 2.62Å; E81-R85 PolarHBondContact OE1-NH2 2.94Å; E81-V89 HydrophobicContact CG-CG2 4.07Å; E81-I94 HydrophobicContact CB-CD1 3.78Å; E81-I94 HydrophobicContact CG-CD1 3.53Å
82	N	94.3	Very high	91.7	Very high	12 Å²	12	82 Å²	82	6%	0.064	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.7	179.8	-77.3	-70.7	0	0	0	114.7	W78 K79 D80 Y84 R85 K88 V89	W78-N82 VanDerWaalsContact CE2-ND2 3.34Å; W78-N82 PolarHBondContact NE1-ND2 3.1Å; W78-N82 WeakPolarHBondContact O-CB 3.41Å; W78-N82 PolarHBondContact O-N 2.86Å; W78-N82 VanDerWaalsContact O-N 3.08Å; W78-N82 PolarHBondContact O-ND2 3.26Å; K79-N82 PolarHBondContact O-N 3.37Å; D80-N82 PolarHBondContact O-N 2.92Å; N82-Y84 VanDerWaalsContact C-N 3.25Å; N82-Y84 PolarHBondContact O-N 2.65Å; N82-Y84 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact O-N 2.74Å; N82-K88 HydrophobicContact CB-CG 4.42Å; N82-K88 WeakPolarHBondContact OD1-CA 3.34Å; N82-K88 VanDerWaalsContact OD1-CB 3.31Å; N82-K88 WeakPolarHBondContact OD1-CB 3.44Å; N82-V89 WeakPolarHBondContact ND2-CG2 3.42Å; N82-V89 PolarHBondContact ND2-O 3.45Å; N82-V89 PolarHBondContact OD1-N 3.03Å
83	K	91.8	Very high	91.1	Very high	127 Å²	127	86.4 Å²	86.4	55%	0.552	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-35.7	-170.8	-174.1	177.9	179.7	-165.4	0	114	K79 D80	K79-K83 PolarHBondContact O-N 3.04Å; D80-K83 WeakPolarHBondContact O-CB 3.4Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 VanDerWaalsContact O-N 3.09Å
84	Y	90.9	Very high	90.5	Very high	195 Å²	195	84.1 Å²	84.1	77%	0.765	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	7.8	-176.2	-55.2	-67.5	0	0	0	113.5	N82	N82-Y84 VanDerWaalsContact C-N 3.25Å; N82-Y84 PolarHBondContact O-N 2.65Å; N82-Y84 VanDerWaalsContact O-N 3.16Å
85	R	88.6	Confident	89.7	Confident	113 Å²	113	85.9 Å²	85.9	43%	0.426	40%	0.397	S	S	.	.			trans	-86.3	128.7	-177.2	-68.2	-178.6	173.3	-109.7	2.1	110.5	E81 N82	E81-R85 WeakPolarHBondContact O-CD 3.34Å; E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 PolarHBondContact O-NE 3.46Å; E81-R85 VanDerWaalsContact O-NE 3.13Å; E81-R85 IonicContact OE1-CZ 3.19Å; E81-R85 IonicContact OE1-NE 2.99Å; E81-R85 PolarHBondContact OE1-NE 2.92Å; E81-R85 IonicContact OE1-NH2 2.62Å; E81-R85 PolarHBondContact OE1-NH2 2.94Å; N82-R85 PolarHBondContact O-N 2.74Å
86	T	87.5	Confident	88.5	Confident	154 Å²	154	93.1 Å²	93.1	95%	0.945	43%	0.428	S	S	*	.	S	Bend	trans	-67.5	-40.5	171.3	-47.1	0	0	0	0	111.4
87	K	89.4	Confident	86.9	Confident	185 Å²	185	97.3 Å²	97.3	80%	0.804	45%	0.447	S	S	*	.	S	Bend	trans	-105.1	114.4	173.3	-175.6	-179.6	179.3	-175.1	0	108.7	V89	K87-V89 PolarHBondContact O-N 3.25Å
88	K	87.9	Confident	85.2	Confident	139 Å²	139	93 Å²	93	60%	0.604	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-67.2	134.2	179.8	-66.5	-173.4	179	-178.1	0	111	W78 N82	W78-K88 HydrophobicContact CZ2-CD 4.33Å; N82-K88 HydrophobicContact CB-CG 4.42Å; N82-K88 WeakPolarHBondContact OD1-CA 3.34Å; N82-K88 VanDerWaalsContact OD1-CB 3.31Å; N82-K88 WeakPolarHBondContact OD1-CB 3.44Å
89	V	89.8	Confident	83.4	Confident	24 Å²	24	97.6 Å²	97.6	15%	0.145	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-77.6	145.7	164.8	-64	0	0	0	0	108.8	W78 E81 N82 K87 E93 I94	W78-V89 PolarHBondContact NE1-O 3.17Å; E81-V89 HydrophobicContact CG-CG2 4.07Å; N82-V89 WeakPolarHBondContact ND2-CG2 3.42Å; N82-V89 PolarHBondContact ND2-O 3.45Å; N82-V89 PolarHBondContact OD1-N 3.03Å; K87-V89 PolarHBondContact O-N 3.25Å; V89-E93 WeakPolarHBondContact CA-OE2 3.42Å; V89-E93 HydrophobicContact CB-CB 4.48Å; V89-I94 HydrophobicContact CG2-CD1 3.59Å; V89-I94 HydrophobicContact CG2-CG1 4.12Å
90	T	90.5	Very high	81.2	Confident	63 Å²	63	101.6 Å²	101.6	39%	0.387	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-75.6	155.2	179.7	62.9	0	0	0	0	110.9	K92 E93 I94	T90-K92 PolarHBondContact O-N 3.18Å; T90-E93 WeakPolarHBondContact CB-OE2 3.35Å; T90-E93 PolarHBondContact N-OE2 3.02Å; T90-E93 PolarHBondContact O-N 2.92Å; T90-E93 VanDerWaalsContact O-N 3.13Å; T90-E93 VanDerWaalsContact OG1-CG 3.29Å; T90-E93 WeakPolarHBondContact OG1-CG 3.45Å; T90-E93 PolarHBondContact OG1-N 3.27Å; T90-E93 PolarHBondContact OG1-OE2 3.21Å; T90-I94 PolarHBondContact O-N 3.41Å
91	P	88.9	Confident	80.6	Confident	7 Å²	7	101.1 Å²	101.1	5%	0.045	52%	0.516	C	S	.	.	H	α-helix	trans	-53.4	-38.7	173.9	-28.8	37.8	0	0	0	113	I50 E52 F53 W74 W78 E93 I94 L95	I50-P91 HydrophobicContact CG2-CG 3.93Å; E52-P91 HydrophobicContact CB-CB 3.84Å; E52-P91 HydrophobicContact CB-CG 4.08Å; E52-P91 HydrophobicContact CG-CB 4.04Å; E52-P91 HydrophobicContact CG-CG 4.3Å; F53-P91 HydrophobicContact CD2-CG 4.31Å; F53-P91 HydrophobicContact CE1-CB 3.96Å; F53-P91 HydrophobicContact CE1-CG 4.31Å; F53-P91 HydrophobicContact CE2-CB 4.06Å; F53-P91 HydrophobicContact CE2-CG 3.5Å; F53-P91 HydrophobicContact CZ-CB 3.51Å; F53-P91 HydrophobicContact CZ-CG 3.5Å; W74-P91 HydrophobicContact CH2-CB 4.14Å; W74-P91 HydrophobicContact CZ2-CB 3.61Å; W74-P91 VanDerWaalsContact CZ2-O 3.31Å; W74-P91 WeakPolarHBondContact CZ2-O 3.37Å; W74-P91 PolarHBondContact NE1-O 3.09Å; W78-P91 HydrophobicContact CG-CG 4.46Å; P91-E93 VanDerWaalsContact C-N 3.33Å; P91-E93 PolarHBondContact O-N 2.99Å; P91-I94 PolarHBondContact O-N 3.29Å; P91-L95 PolarHBondContact O-N 3.13Å; P91-L95 VanDerWaalsContact O-N 3.14Å
92	K	85.9	Confident	80	Confident	127 Å²	127	102.5 Å²	102.5	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-34.1	179.4	-66.7	-179.1	-176.7	174.5	0	113.4	E52 T90 L95 K96	E52-K92 HydrophobicContact CG-CG 4.3Å; E52-K92 WeakPolarHBondContact OE1-CE 3.47Å; T90-K92 PolarHBondContact O-N 3.18Å; K92-L95 PolarHBondContact O-N 3.06Å; K92-K96 PolarHBondContact O-N 3.01Å
93	E	83.4	Confident	79.2	Confident	93 Å²	93	107.5 Å²	107.5	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-42.4	176.2	-75.1	164.7	135.2	0	0	111	V89 T90 P91 L95 K96 E97	V89-E93 WeakPolarHBondContact CA-OE2 3.42Å; V89-E93 HydrophobicContact CB-CB 4.48Å; T90-E93 WeakPolarHBondContact CB-OE2 3.35Å; T90-E93 PolarHBondContact N-OE2 3.02Å; T90-E93 PolarHBondContact O-N 2.92Å; T90-E93 VanDerWaalsContact O-N 3.13Å; T90-E93 VanDerWaalsContact OG1-CG 3.29Å; T90-E93 WeakPolarHBondContact OG1-CG 3.45Å; T90-E93 PolarHBondContact OG1-N 3.27Å; T90-E93 PolarHBondContact OG1-OE2 3.21Å; P91-E93 VanDerWaalsContact C-N 3.33Å; P91-E93 PolarHBondContact O-N 2.99Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.38Å; E93-K96 PolarHBondContact O-N 3.37Å; E93-E97 PolarHBondContact O-N 2.9Å
94	I	80.5	Confident	78.5	Confident	14 Å²	14	106.4 Å²	106.4	7%	0.072	55%	0.551	C	S	.	*	H	α-helix	trans	-62.5	-39.4	175.9	-57	-59.6	0	0	0	112	R77 W78 E81 V89 T90 P91 K96 E97 A98	R77-I94 HydrophobicContact CB-CG2 4.48Å; W78-I94 HydrophobicContact CB-CG1 4.3Å; E81-I94 HydrophobicContact CB-CD1 3.78Å; E81-I94 HydrophobicContact CG-CD1 3.53Å; V89-I94 HydrophobicContact CG2-CD1 3.59Å; V89-I94 HydrophobicContact CG2-CG1 4.12Å; T90-I94 PolarHBondContact O-N 3.41Å; P91-I94 PolarHBondContact O-N 3.29Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.33Å; I94-E97 PolarHBondContact O-N 3.3Å; I94-A98 PolarHBondContact O-N 3.47Å
95	L	74.8	Confident	77.7	Confident	86 Å²	86	100.8 Å²	100.8	45%	0.45	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-39.4	-179.5	-172.8	65.1	0	0	0	111.5	W74 P91 K92 E93 E97 A98 T99	W74-L95 HydrophobicContact CZ2-CB 4.07Å; W74-L95 HydrophobicContact CZ2-CD2 4.37Å; P91-L95 PolarHBondContact O-N 3.13Å; P91-L95 VanDerWaalsContact O-N 3.14Å; K92-L95 PolarHBondContact O-N 3.06Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.38Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 3.38Å; L95-A98 PolarHBondContact O-N 3.03Å; L95-T99 PolarHBondContact O-N 3.28Å; L95-T99 PolarHBondContact O-OG1 3.34Å
96	K	71.6	Confident	76.9	Confident	153 Å²	153	100 Å²	100	67%	0.665	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-40.9	178	-72.2	-179.1	179.1	-177	0	112.1	K92 E93 I94 A98 T99 A100	K92-K96 PolarHBondContact O-N 3.01Å; E93-K96 PolarHBondContact O-N 3.37Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.33Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.8Å; K96-T99 PolarHBondContact O-N 3.11Å; K96-T99 PolarHBondContact O-OG1 3.43Å; K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 3.36Å
97	E	61.6	Low	76.2	Confident	126 Å²	126	96.1 Å²	96.1	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-68.1	-28.5	178.2	-67.9	177.1	177.1	0	0	112.7	E93 I94 L95	E93-E97 PolarHBondContact O-N 2.9Å; I94-E97 PolarHBondContact O-N 3.3Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 3.38Å
98	A	57.7	Low	75.2	Confident	75 Å²	75	89.3 Å²	89.3	62%	0.62	49%	0.494	S	S	*	.	H	α-helix	trans	-78.2	-20.2	177	0	0	0	0	0	113.7	I94 L95 K96	I94-A98 PolarHBondContact O-N 3.47Å; L95-A98 PolarHBondContact O-N 3.03Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.8Å
99	T	56.4	Low	74.1	Confident	114 Å²	114	85.2 Å²	85.2	70%	0.699	49%	0.485	S	S	*	.	H	α-helix	trans	-105.4	-3.6	-177.9	56.1	0	0	0	0	114.3	L95 K96	L95-T99 PolarHBondContact O-N 3.28Å; L95-T99 PolarHBondContact O-OG1 3.34Å; K96-T99 PolarHBondContact O-N 3.11Å; K96-T99 PolarHBondContact O-OG1 3.43Å
100	A	48.6	Very low	72.7	Confident	140 Å²	140	90.7 Å²	90.7	100%	1.157	52%	0.516	S	S	*	.			trans	-98.4	0	-179.9	0	0	0	0	0	111.1	K96	K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 3.36Å

Retrieved 100 of 100 residues in 85.3 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).