A0A096NBF9_PAPAN Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB (G7PVT9), UniProt , Accession A0A096NBF9, Species PAPAN (Papio anubis, Olive baboon), Gene GJB6, Length 261 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	46.7	Very low	225 Å²	225	117.1 Å²	117.1	100%	1.108	64%	0.638	S	S	*	*				0	109	0	-86.1	150	84.1	0	0	107.4	W3	M1-W3 PolarHBondContact O-N 3.15Å; M1-W3 VanDerWaalsContact O-N 3.07Å
2	D	41.2	Very low	45.9	Very low	137 Å²	137	113.2 Å²	113.2	73%	0.733	65%	0.645	S	S	*	*			trans	-83.3	88.8	-163.6	-148.2	-15.8	0	0	0	110.7	G4 A5	D2-G4 PolarHBondContact O-N 3.39Å; D2-G4 VanDerWaalsContact O-N 3.15Å; D2-A5 PolarHBondContact O-N 3.37Å
3	W	46.4	Very low	45.7	Very low	197 Å²	197	112 Å²	112	75%	0.746	64%	0.641	S	S	*	*	H	α-helix	trans	-58.3	-21	176.3	-81.9	91.4	0	0	0	112.6	M1 L6 H7	M1-W3 PolarHBondContact O-N 3.15Å; M1-W3 VanDerWaalsContact O-N 3.07Å; W3-L6 HydrophobicContact CE3-CD2 4.1Å; W3-L6 HydrophobicContact CZ3-CD2 4.03Å; W3-L6 PolarHBondContact O-N 3.17Å; W3-H7 WeakPolarHBondContact O-CB 3.47Å; W3-H7 PolarHBondContact O-N 3.49Å
4	G	44.3	Very low	45.5	Very low	37 Å²	37	113.5 Å²	113.5	38%	0.381	65%	0.646	S	S	.	*	H	α-helix	trans	-65.1	-39.7	175.6	0	0	0	0	0	113.1	D2 H7 T8	D2-G4 PolarHBondContact O-N 3.39Å; D2-G4 VanDerWaalsContact O-N 3.15Å; G4-H7 PolarHBondContact O-N 3.41Å; G4-T8 WeakPolarHBondContact O-CB 3.47Å; G4-T8 PolarHBondContact O-N 3.21Å; G4-T8 PolarHBondContact O-OG1 3.02Å
5	A	52.4	Low	45.3	Very low	56 Å²	56	118.8 Å²	118.8	46%	0.463	66%	0.659	S	S	.	*	H	α-helix	trans	-67.7	-38.4	178.7	0	0	0	0	0	111.8	D2 T8 L9	D2-A5 PolarHBondContact O-N 3.37Å; A5-T8 PolarHBondContact O-N 3.21Å; A5-L9 WeakPolarHBondContact O-CB 3.48Å; A5-L9 VanDerWaalsContact O-CG 3.31Å; A5-L9 WeakPolarHBondContact O-CG 3.26Å; A5-L9 PolarHBondContact O-N 3.4Å; A5-L9 VanDerWaalsContact O-N 3.07Å
6	L	49.3	Very low	45.1	Very low	88 Å²	88	122 Å²	122	46%	0.461	67%	0.667	S	S	.	*	H	α-helix	trans	-67	-44.6	174.5	-166.1	80.4	0	0	0	111.1	W3 T8 L9 I10	W3-L6 HydrophobicContact CE3-CD2 4.1Å; W3-L6 HydrophobicContact CZ3-CD2 4.03Å; W3-L6 PolarHBondContact O-N 3.17Å; L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-I10 HydrophobicContact CD1-CD1 4.46Å; L6-I10 HydrophobicContact CD2-CD1 4.17Å; L6-I10 HydrophobicContact CG-CD1 3.81Å; L6-I10 WeakPolarHBondContact O-CB 3.44Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 3.05Å
7	H	48.3	Very low	45	Very low	147 Å²	147	119.5 Å²	119.5	68%	0.681	66%	0.661	S	S	*	*	H	α-helix	trans	-68	-26.8	179.1	-155.2	-86.7	0	0	0	112.7	W3 G4 G11	W3-H7 WeakPolarHBondContact O-CB 3.47Å; W3-H7 PolarHBondContact O-N 3.49Å; G4-H7 PolarHBondContact O-N 3.41Å; H7-G11 VanDerWaalsContact O-CA 3.28Å; H7-G11 WeakPolarHBondContact O-CA 3.43Å; H7-G11 PolarHBondContact O-N 3.16Å
8	T	51.8	Low	45	Very low	109 Å²	109	119.1 Å²	119.1	67%	0.669	66%	0.662	S	S	*	*	H	α-helix	trans	-80.4	-32.4	175.3	-42.3	0	0	0	0	111.9	G4 A5 L6 G12	G4-T8 WeakPolarHBondContact O-CB 3.47Å; G4-T8 PolarHBondContact O-N 3.21Å; G4-T8 PolarHBondContact O-OG1 3.02Å; A5-T8 PolarHBondContact O-N 3.21Å; L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 3.25Å; T8-G12 PolarHBondContact O-N 3.14Å
9	L	49.4	Very low	45.9	Very low	133 Å²	133	114.6 Å²	114.6	70%	0.696	64%	0.64	S	S	*	*	H	α-helix	trans	-71.6	-34.3	171.9	-74.3	167.5	0	0	0	112.2	A5 L6	A5-L9 WeakPolarHBondContact O-CB 3.48Å; A5-L9 VanDerWaalsContact O-CG 3.31Å; A5-L9 WeakPolarHBondContact O-CG 3.26Å; A5-L9 PolarHBondContact O-N 3.4Å; A5-L9 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.41Å
10	I	49.8	Very low	46.9	Very low	108 Å²	108	115.8 Å²	115.8	55%	0.554	64%	0.643	S	S	*	*	H	α-helix	trans	-82.4	-38.1	176	-64	171.2	0	0	0	111.4	L6 G12 V13	L6-I10 HydrophobicContact CD1-CD1 4.46Å; L6-I10 HydrophobicContact CD2-CD1 4.17Å; L6-I10 HydrophobicContact CG-CD1 3.81Å; L6-I10 WeakPolarHBondContact O-CB 3.44Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 3.05Å; I10-G12 VanDerWaalsContact C-N 3.31Å; I10-G12 PolarHBondContact O-N 3.11Å; I10-V13 WeakPolarHBondContact O-CB 3.45Å; I10-V13 WeakPolarHBondContact O-CG2 3.48Å; I10-V13 PolarHBondContact O-N 3.16Å
11	G	37.7	Very low	48	Very low	51 Å²	51	111 Å²	111	53%	0.526	62%	0.62	S	S	.	*	H	α-helix	trans	-71.2	-19.7	-177.6	0	0	0	0	0	114.8	H7 V13	H7-G11 VanDerWaalsContact O-CA 3.28Å; H7-G11 WeakPolarHBondContact O-CA 3.43Å; H7-G11 PolarHBondContact O-N 3.16Å; G11-V13 PolarHBondContact O-N 3.43Å
12	G	37.7	Very low	49.5	Very low	70 Å²	70	103.4 Å²	103.4	72%	0.722	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	0.7	172.8	0	0	0	0	0	115	T8 I10	T8-G12 PolarHBondContact O-N 3.14Å; I10-G12 VanDerWaalsContact C-N 3.31Å; I10-G12 PolarHBondContact O-N 3.11Å
13	V	43.1	Very low	51.5	Low	98 Å²	98	100.6 Å²	100.6	59%	0.594	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-3.6	-172.6	179.2	0	0	0	0	113.4	I10 G11	I10-V13 WeakPolarHBondContact O-CB 3.45Å; I10-V13 WeakPolarHBondContact O-CG2 3.48Å; I10-V13 PolarHBondContact O-N 3.16Å; G11-V13 PolarHBondContact O-N 3.43Å
14	N	42.8	Very low	53.3	Low	133 Å²	133	98.2 Å²	98.2	71%	0.711	56%	0.56	S	S	*	*			trans	-121.3	85.3	-175	-154.4	22.6	0	0	0	114.6
15	K	42	Very low	55.1	Low	193 Å²	193	97 Å²	97	84%	0.839	54%	0.544	S	S	*	.	S	Bend	trans	-159.3	83.1	144.2	-118.7	165.5	-179.6	173.5	0	111.4
16	H	42.9	Very low	56.7	Low	170 Å²	170	98 Å²	98	79%	0.787	55%	0.545	S	S	*	.	S	Bend	trans	47.4	72.3	154	-56.6	-69.4	0	0	0	118.4
17	S	42.5	Very low	58.7	Low	80 Å²	80	97.5 Å²	97.5	56%	0.559	55%	0.546	S	S	*	.	S	Bend	trans	-172.3	-13.3	149.3	-128.8	0	0	0	0	115.1	K125	S17-K125 PolarHBondContact OG-NZ 2.52Å
18	T	46.3	Very low	60.7	Low	111 Å²	111	91.5 Å²	91.5	68%	0.681	52%	0.518	S	S	*	.	S	Bend	trans	-111.1	76.3	-170.2	7.7	0	0	0	0	111.8
19	S	60.7	Low	62.5	Low	35 Å²	35	89.1 Å²	89.1	25%	0.245	50%	0.499	C	S	.	.			trans	68.2	86.3	150.7	28.5	0	0	0	0	117.3	G21 K22	S19-G21 PolarHBondContact O-N 3.45Å; S19-G21 VanDerWaalsContact O-N 3.15Å; S19-K22 WeakPolarHBondContact O-CB 3.28Å; S19-K22 PolarHBondContact O-N 3.49Å; S19-K22 WeakPolarHBondContact OG-CD 3.39Å; S19-K22 WeakPolarHBondContact OG-CE 3.46Å; S19-K22 PolarHBondContact OG-NZ 3.01Å
20	I	66.6	Low	64.5	Low	137 Å²	137	87.9 Å²	87.9	70%	0.703	49%	0.492	S	S	*	.	H	α-helix	trans	-47.2	-38	164.6	-166	152.3	0	0	0	112	K22 V23 W24	I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 3.04Å; I20-V23 PolarHBondContact O-N 3.45Å; I20-W24 VanDerWaalsContact O-CD1 3.25Å; I20-W24 PolarHBondContact O-N 3.21Å; I20-W24 VanDerWaalsContact O-N 3.16Å
21	G	69.3	Low	66.6	Low	16 Å²	16	87.1 Å²	87.1	17%	0.165	49%	0.485	C	S	.	.	H	α-helix	trans	-57.7	-35	175.1	0	0	0	0	0	114.4	S19 W24 V25	S19-G21 PolarHBondContact O-N 3.45Å; S19-G21 VanDerWaalsContact O-N 3.15Å; G21-W24 PolarHBondContact O-N 3.3Å; G21-V25 VanDerWaalsContact O-CB 3.29Å; G21-V25 WeakPolarHBondContact O-CB 3.03Å; G21-V25 WeakPolarHBondContact O-CG2 3.32Å; G21-V25 PolarHBondContact O-N 3.19Å
22	K	74.9	Confident	69.3	Low	66 Å²	66	84.8 Å²	84.8	29%	0.287	46%	0.46	S	S	.	.	H	α-helix	trans	-68.8	-37.5	177.6	-72.4	-177.4	-175.8	134.2	0	112.8	S19 I20 T26 Y136 E209	S19-K22 WeakPolarHBondContact O-CB 3.28Å; S19-K22 PolarHBondContact O-N 3.49Å; S19-K22 WeakPolarHBondContact OG-CD 3.39Å; S19-K22 WeakPolarHBondContact OG-CE 3.46Å; S19-K22 PolarHBondContact OG-NZ 3.01Å; I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 3.04Å; K22-T26 WeakPolarHBondContact O-CB 3.14Å; K22-T26 PolarHBondContact O-N 3.38Å; K22-T26 PolarHBondContact O-OG1 3.39Å; K22-Y136 WeakPolarHBondContact CE-OH 3.28Å; K22-E209 VanDerWaalsContact CE-OE1 3.27Å; K22-E209 WeakPolarHBondContact CE-OE1 3.46Å; K22-E209 IonicContact NZ-OE1 3.67Å
23	V	82.8	Confident	71.9	Confident	78 Å²	78	84.1 Å²	84.1	47%	0.473	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-51	176.4	179.1	0	0	0	0	109	I20 V25 T26 V27	I20-V23 PolarHBondContact O-N 3.45Å; V23-V25 PolarHBondContact O-N 3.03Å; V23-T26 PolarHBondContact O-N 2.91Å; V23-T26 VanDerWaalsContact O-N 3.14Å; V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CG2 3.49Å; V23-V27 PolarHBondContact O-N 3.14Å
24	W	84.3	Confident	74.3	Confident	147 Å²	147	85.3 Å²	85.3	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-43.7	178.2	-77.8	100.2	0	0	0	113.1	I20 G21 T26 V27 I28 L205	I20-W24 VanDerWaalsContact O-CD1 3.25Å; I20-W24 PolarHBondContact O-N 3.21Å; I20-W24 VanDerWaalsContact O-N 3.16Å; G21-W24 PolarHBondContact O-N 3.3Å; W24-T26 VanDerWaalsContact C-N 3.29Å; W24-T26 PolarHBondContact O-N 3.37Å; W24-V27 PolarHBondContact O-N 3.39Å; W24-I28 WeakPolarHBondContact O-CB 2.82Å; W24-I28 WeakPolarHBondContact O-CD1 3.41Å; W24-I28 VanDerWaalsContact O-CG1 3.22Å; W24-I28 WeakPolarHBondContact O-CG1 3.33Å; W24-I28 PolarHBondContact O-N 3.1Å; W24-L205 HydrophobicContact CB-CD1 3.88Å
25	V	83.1	Confident	76.7	Confident	10 Å²	10	79.7 Å²	79.7	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-59.4	-40.6	175.1	164.9	0	0	0	0	111.5	G21 V23 F29 L205	G21-V25 VanDerWaalsContact O-CB 3.29Å; G21-V25 WeakPolarHBondContact O-CB 3.03Å; G21-V25 WeakPolarHBondContact O-CG2 3.32Å; G21-V25 PolarHBondContact O-N 3.19Å; V23-V25 PolarHBondContact O-N 3.03Å; V25-F29 VanDerWaalsContact O-CB 3.26Å; V25-F29 WeakPolarHBondContact O-CB 3.33Å; V25-F29 PolarHBondContact O-N 3.27Å; V25-L205 HydrophobicContact CG2-CB 3.71Å; V25-L205 HydrophobicContact CG2-CD1 3.96Å; V25-L205 HydrophobicContact CG2-CG 4.49Å
26	T	86.6	Confident	79.2	Confident	77 Å²	77	71.8 Å²	71.8	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-69.5	-43.2	177.9	-53.5	0	0	0	0	111.6	K22 V23 W24 F29 I30	K22-T26 WeakPolarHBondContact O-CB 3.14Å; K22-T26 PolarHBondContact O-N 3.38Å; K22-T26 PolarHBondContact O-OG1 3.39Å; V23-T26 PolarHBondContact O-N 2.91Å; V23-T26 VanDerWaalsContact O-N 3.14Å; W24-T26 VanDerWaalsContact C-N 3.29Å; W24-T26 PolarHBondContact O-N 3.37Å; T26-F29 WeakPolarHBondContact O-CB 3.26Å; T26-F29 PolarHBondContact O-N 3.05Å; T26-I30 HydrophobicContact CG2-CD1 4.23Å; T26-I30 WeakPolarHBondContact O-CG1 3.06Å; T26-I30 PolarHBondContact O-N 3.12Å
27	V	89.9	Confident	81.6	Confident	79 Å²	79	68.3 Å²	68.3	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-47.3	177.6	170	0	0	0	0	110.9	V23 W24 F29 I30 F31	V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CG2 3.49Å; V23-V27 PolarHBondContact O-N 3.14Å; W24-V27 PolarHBondContact O-N 3.39Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 3Å; V27-I30 PolarHBondContact O-N 3.19Å; V27-F31 WeakPolarHBondContact O-CB 3.46Å; V27-F31 PolarHBondContact O-N 3.44Å
28	I	90.3	Very high	84	Confident	20 Å²	20	67.6 Å²	67.6	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-37.2	178.2	-63.2	163.4	0	0	0	110.5	W24 F31 R32 A198 I201 C202 L205	W24-I28 WeakPolarHBondContact O-CB 2.82Å; W24-I28 WeakPolarHBondContact O-CD1 3.41Å; W24-I28 VanDerWaalsContact O-CG1 3.22Å; W24-I28 WeakPolarHBondContact O-CG1 3.33Å; W24-I28 PolarHBondContact O-N 3.1Å; I28-F31 WeakPolarHBondContact O-CB 3.37Å; I28-F31 PolarHBondContact O-N 2.99Å; I28-R32 HydrophobicContact CG2-CG 4.48Å; I28-R32 WeakPolarHBondContact O-CG 3.45Å; I28-R32 PolarHBondContact O-N 3.46Å; I28-A198 HydrophobicContact CG2-CB 3.88Å; I28-I201 HydrophobicContact CD1-CB 4.36Å; I28-I201 HydrophobicContact CD1-CG2 3.52Å; I28-C202 WeakPolarHBondContact CG2-SG 3.33Å; I28-L205 HydrophobicContact CD1-CD1 3.77Å
29	F	89.8	Confident	86.1	Confident	59 Å²	59	62.5 Å²	62.5	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-46.3	175.3	-177.8	-93.7	0	0	0	112.1	V25 T26 V27 F31 R32 V33 L81 S85	V25-F29 VanDerWaalsContact O-CB 3.26Å; V25-F29 WeakPolarHBondContact O-CB 3.33Å; V25-F29 PolarHBondContact O-N 3.27Å; T26-F29 WeakPolarHBondContact O-CB 3.26Å; T26-F29 PolarHBondContact O-N 3.05Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 3Å; F29-F31 VanDerWaalsContact C-N 3.34Å; F29-F31 PolarHBondContact O-N 3.5Å; F29-R32 PolarHBondContact O-N 3.34Å; F29-V33 HydrophobicContact CD1-CG2 4.38Å; F29-V33 HydrophobicContact CE1-CG2 3.83Å; F29-V33 HydrophobicContact CZ-CG2 3.99Å; F29-V33 PolarHBondContact O-N 2.89Å; F29-V33 VanDerWaalsContact O-N 3.07Å; F29-L81 HydrophobicContact CD2-CD2 4.01Å; F29-L81 HydrophobicContact CE2-CD2 3.6Å; F29-L81 HydrophobicContact CZ-CD2 4.35Å; F29-S85 WeakPolarHBondContact CE2-OG 3.44Å; F29-S85 WeakPolarHBondContact CZ-OG 3.32Å
30	I	91.4	Very high	87.6	Confident	107 Å²	107	62.8 Å²	62.8	55%	0.549	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.1	-66.5	165.9	0	0	0	110.6	T26 V27 R32 V33 M34	T26-I30 HydrophobicContact CG2-CD1 4.23Å; T26-I30 WeakPolarHBondContact O-CG1 3.06Å; T26-I30 PolarHBondContact O-N 3.12Å; V27-I30 PolarHBondContact O-N 3.19Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.48Å; I30-V33 PolarHBondContact O-N 2.97Å; I30-M34 PolarHBondContact O-N 3.11Å
31	F	93.4	Very high	88.6	Confident	93 Å²	93	63.2 Å²	63.2	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-57.7	-41.2	175.9	175.1	-111	0	0	0	112.3	V27 I28 F29 M34 I35	V27-F31 WeakPolarHBondContact O-CB 3.46Å; V27-F31 PolarHBondContact O-N 3.44Å; I28-F31 WeakPolarHBondContact O-CB 3.37Å; I28-F31 PolarHBondContact O-N 2.99Å; F29-F31 VanDerWaalsContact C-N 3.34Å; F29-F31 PolarHBondContact O-N 3.5Å; F31-M34 WeakPolarHBondContact O-CB 3.39Å; F31-M34 PolarHBondContact O-N 3.27Å; F31-I35 HydrophobicContact CD1-CD1 3.78Å; F31-I35 HydrophobicContact CD2-CD1 4.28Å; F31-I35 HydrophobicContact CE1-CD1 3.23Å; F31-I35 HydrophobicContact CE1-CG1 4.39Å; F31-I35 HydrophobicContact CE2-CD1 3.8Å; F31-I35 HydrophobicContact CE2-CG1 4.18Å; F31-I35 HydrophobicContact CG-CD1 4.29Å; F31-I35 HydrophobicContact CZ-CD1 3.26Å; F31-I35 HydrophobicContact CZ-CG1 4.12Å; F31-I35 PolarHBondContact O-N 2.99Å
32	R	93.9	Very high	89.4	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-40.6	175.6	-73.4	179	70	178.7	4.3	112.9	I28 F29 I30 M34 I35 L36 L81 E147 M195 A198 S199	I28-R32 HydrophobicContact CG2-CG 4.48Å; I28-R32 WeakPolarHBondContact O-CG 3.45Å; I28-R32 PolarHBondContact O-N 3.46Å; F29-R32 PolarHBondContact O-N 3.34Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.48Å; R32-M34 VanDerWaalsContact C-N 3.33Å; R32-I35 PolarHBondContact O-N 3.5Å; R32-L36 WeakPolarHBondContact O-CB 3.28Å; R32-L36 PolarHBondContact O-N 3.19Å; R32-L81 HydrophobicContact CB-CD2 3.96Å; R32-E147 IonicContact CZ-OE1 3.84Å; R32-E147 IonicContact NH1-OE1 2.67Å; R32-E147 PolarHBondContact NH1-OE1 3.43Å; R32-E147 IonicContact NH1-OE2 3.45Å; R32-E147 PolarHBondContact NH1-OE2 2.86Å; R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CB-SD 4.36Å; R32-M195 HydrophobicContact CG-SD 4.33Å; R32-A198 HydrophobicContact CG-CB 3.7Å; R32-S199 PolarHBondContact NH1-OG 2.89Å; R32-S199 PolarHBondContact NH2-OG 3.29Å
33	V	93.6	Very high	90.1	Very high	57 Å²	57	65.1 Å²	65.1	35%	0.345	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.1	173.4	0	0	0	0	110.3	F29 I30 L36 V37 L81	F29-V33 HydrophobicContact CD1-CG2 4.38Å; F29-V33 HydrophobicContact CE1-CG2 3.83Å; F29-V33 HydrophobicContact CZ-CG2 3.99Å; F29-V33 PolarHBondContact O-N 2.89Å; F29-V33 VanDerWaalsContact O-N 3.07Å; I30-V33 PolarHBondContact O-N 2.97Å; V33-L36 PolarHBondContact O-N 2.96Å; V33-V37 WeakPolarHBondContact O-CG2 3.31Å; V33-V37 PolarHBondContact O-N 3.3Å; V33-L81 HydrophobicContact CG2-CD1 4.27Å
34	M	93.7	Very high	90.5	Very high	122 Å²	122	61.9 Å²	61.9	60%	0.601	32%	0.319	S	S	*	.	H	α-helix	trans	-58.9	-50.6	176.4	-176	-150.2	-163.4	0	0	111.6	I30 F31 R32 L36 V37 V38	I30-M34 PolarHBondContact O-N 3.11Å; F31-M34 WeakPolarHBondContact O-CB 3.39Å; F31-M34 PolarHBondContact O-N 3.27Å; R32-M34 VanDerWaalsContact C-N 3.33Å; M34-L36 VanDerWaalsContact C-N 3.32Å; M34-L36 PolarHBondContact O-N 3.1Å; M34-V37 PolarHBondContact O-N 3.24Å; M34-V38 WeakPolarHBondContact O-CG2 3.17Å; M34-V38 PolarHBondContact O-N 3.03Å; M34-V38 VanDerWaalsContact O-N 3.1Å
35	I	93.1	Very high	90.7	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	32%	0.316	C	S	.	.	H	α-helix	trans	-57.9	-46.7	177.1	-73.2	167.5	0	0	0	110.8	F31 R32 V37 V38 A39 F191 F194 M195	F31-I35 HydrophobicContact CD1-CD1 3.78Å; F31-I35 HydrophobicContact CD2-CD1 4.28Å; F31-I35 HydrophobicContact CE1-CD1 3.23Å; F31-I35 HydrophobicContact CE1-CG1 4.39Å; F31-I35 HydrophobicContact CE2-CD1 3.8Å; F31-I35 HydrophobicContact CE2-CG1 4.18Å; F31-I35 HydrophobicContact CG-CD1 4.29Å; F31-I35 HydrophobicContact CZ-CD1 3.26Å; F31-I35 HydrophobicContact CZ-CG1 4.12Å; F31-I35 PolarHBondContact O-N 2.99Å; R32-I35 PolarHBondContact O-N 3.5Å; I35-V37 VanDerWaalsContact C-N 3.3Å; I35-V37 PolarHBondContact O-N 2.6Å; I35-V38 PolarHBondContact O-N 3.49Å; I35-A39 WeakPolarHBondContact O-CB 3.4Å; I35-A39 PolarHBondContact O-N 2.97Å; I35-F191 HydrophobicContact CG2-CD1 3.74Å; I35-F191 HydrophobicContact CG2-CE1 4.24Å; I35-F194 HydrophobicContact CD1-CB 4.08Å; I35-M195 HydrophobicContact CB-SD 4.01Å; I35-M195 HydrophobicContact CG2-CG 3.95Å; I35-M195 HydrophobicContact CG2-SD 3.67Å
36	L	93.4	Very high	90.9	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-45.2	-179.4	-170.9	91.6	0	0	0	111.2	R32 V33 M34 A40 I74 W77 A78 L81 M195	R32-L36 WeakPolarHBondContact O-CB 3.28Å; R32-L36 PolarHBondContact O-N 3.19Å; V33-L36 PolarHBondContact O-N 2.96Å; M34-L36 VanDerWaalsContact C-N 3.32Å; M34-L36 PolarHBondContact O-N 3.1Å; L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.43Å; L36-I74 HydrophobicContact CD1-CD1 3.68Å; L36-I74 HydrophobicContact CD1-CG1 4.13Å; L36-I74 HydrophobicContact CG-CD1 4.03Å; L36-I74 HydrophobicContact CG-CG1 4.44Å; L36-W77 HydrophobicContact CD1-CB 3.39Å; L36-W77 HydrophobicContact CD1-CG 4.49Å; L36-A78 HydrophobicContact CD2-CB 4.12Å; L36-L81 HydrophobicContact CB-CD1 4.32Å; L36-L81 HydrophobicContact CD1-CD1 4.43Å; L36-L81 HydrophobicContact CD2-CD1 4.02Å; L36-L81 HydrophobicContact CG-CD1 4.5Å; L36-M195 HydrophobicContact CD1-CE 4.21Å
37	V	93.3	Very high	91	Very high	96 Å²	96	57.6 Å²	57.6	58%	0.582	31%	0.314	S	S	*	.	H	α-helix	trans	-63.6	-46.2	-179.8	170.9	0	0	0	0	111.3	V33 M34 I35 H41	V33-V37 WeakPolarHBondContact O-CG2 3.31Å; V33-V37 PolarHBondContact O-N 3.3Å; M34-V37 PolarHBondContact O-N 3.24Å; I35-V37 VanDerWaalsContact C-N 3.3Å; I35-V37 PolarHBondContact O-N 2.6Å; V37-H41 PolarHBondContact O-N 3.36Å
38	V	93.2	Very high	90.9	Very high	66 Å²	66	58.6 Å²	58.6	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-48.6	178.4	173.1	0	0	0	0	110.9	M34 I35 A40 H41 E42 F191	M34-V38 WeakPolarHBondContact O-CG2 3.17Å; M34-V38 PolarHBondContact O-N 3.03Å; M34-V38 VanDerWaalsContact O-N 3.1Å; I35-V38 PolarHBondContact O-N 3.49Å; V38-A40 VanDerWaalsContact C-N 3.35Å; V38-A40 PolarHBondContact O-N 3.33Å; V38-H41 PolarHBondContact O-N 3.31Å; V38-E42 HydrophobicContact CG1-CG 4.49Å; V38-E42 WeakPolarHBondContact O-CB 3.45Å; V38-E42 PolarHBondContact O-N 3.12Å; V38-F191 HydrophobicContact CG1-CE1 4.47Å; V38-F191 HydrophobicContact CG1-CZ 4.34Å
39	A	91.6	Very high	90.8	Very high	3 Å²	3	64.6 Å²	64.6	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-43.5	180	0	0	0	0	0	112	I35 H41 V43 W44 I74 F191	I35-A39 WeakPolarHBondContact O-CB 3.4Å; I35-A39 PolarHBondContact O-N 2.97Å; A39-H41 VanDerWaalsContact C-N 3.28Å; A39-H41 PolarHBondContact O-N 2.99Å; A39-V43 WeakPolarHBondContact O-CB 3.19Å; A39-V43 PolarHBondContact O-N 3.35Å; A39-V43 VanDerWaalsContact O-N 3.08Å; A39-W44 HydrophobicContact CB-CE3 3.74Å; A39-W44 HydrophobicContact CB-CZ3 3.65Å; A39-W44 PolarHBondContact O-N 3.5Å; A39-I74 HydrophobicContact CB-CD1 3.8Å; A39-F191 HydrophobicContact CB-CD1 4.1Å; A39-F191 HydrophobicContact CB-CE1 4.41Å; A39-F191 HydrophobicContact CB-CG 4.37Å
40	A	90.7	Very high	90.9	Very high	41 Å²	41	65 Å²	65	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-58.6	-40.9	-178.5	0	0	0	0	0	112.5	L36 V38 G45 I74	L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.43Å; V38-A40 VanDerWaalsContact C-N 3.35Å; V38-A40 PolarHBondContact O-N 3.33Å; A40-G45 PolarHBondContact O-N 3.16Å; A40-I74 HydrophobicContact CB-CD1 4.11Å; A40-I74 HydrophobicContact CB-CG1 3.79Å
41	H	87.3	Confident	91.1	Very high	146 Å²	146	60 Å²	60	68%	0.676	32%	0.32	S	S	*	.	H	α-helix	trans	-85.5	-47.7	-175.6	-156.2	-90.3	0	0	0	112.3	V37 V38 A39	V37-H41 PolarHBondContact O-N 3.36Å; V38-H41 PolarHBondContact O-N 3.31Å; A39-H41 VanDerWaalsContact C-N 3.28Å; A39-H41 PolarHBondContact O-N 2.99Å
42	E	88	Confident	91.2	Very high	122 Å²	122	59.5 Å²	59.5	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-88.6	-29.3	-168.8	-59	-58	133.4	0	0	113.7	V38	V38-E42 HydrophobicContact CG1-CG 4.49Å; V38-E42 WeakPolarHBondContact O-CB 3.45Å; V38-E42 PolarHBondContact O-N 3.12Å
43	V	89.5	Confident	91.3	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-39.4	-167.7	-175.2	0	0	0	0	112.2	A39 E187 K188 F191	A39-V43 WeakPolarHBondContact O-CB 3.19Å; A39-V43 PolarHBondContact O-N 3.35Å; A39-V43 VanDerWaalsContact O-N 3.08Å; V43-E187 HydrophobicContact CG1-CB 4.43Å; V43-E187 HydrophobicContact CG1-CG 3.95Å; V43-E187 HydrophobicContact CG2-CG 3.92Å; V43-E187 VanDerWaalsContact CG2-OE1 3.3Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.48Å; V43-K188 HydrophobicContact CG1-CG 3.57Å; V43-F191 HydrophobicContact CG1-CD2 4.45Å; V43-F191 HydrophobicContact CG2-CD2 3.83Å; V43-F191 HydrophobicContact CG2-CE2 3.49Å; V43-F191 VanDerWaalsContact CG2-CE2 3.49Å; V43-F191 HydrophobicContact CG2-CZ 4.19Å
44	W	90.8	Very high	91.4	Very high	10 Å²	10	63.4 Å²	63.4	4%	0.038	35%	0.345	C	S	.	.	S	Bend	trans	-102.8	-4.7	-178	-82.4	-92.2	0	0	0	114.2	A39 D46 E47 H73 I74 K188 F191	A39-W44 HydrophobicContact CB-CE3 3.74Å; A39-W44 HydrophobicContact CB-CZ3 3.65Å; A39-W44 PolarHBondContact O-N 3.5Å; W44-D46 PolarHBondContact O-N 2.96Å; W44-E47 VanDerWaalsContact CD1-OE2 3.3Å; W44-E47 WeakPolarHBondContact O-CB 3.34Å; W44-E47 WeakPolarHBondContact O-CG 3.21Å; W44-E47 PolarHBondContact O-N 3.16Å; W44-H73 HydrophobicContact CZ2-CB 4.04Å; W44-H73 AromaticContact NE1-ND1 3.69Å; W44-I74 HydrophobicContact CB-CB 4.41Å; W44-I74 HydrophobicContact CB-CG2 4.34Å; W44-I74 HydrophobicContact CE3-CD1 4.47Å; W44-I74 HydrophobicContact CG-CB 4.27Å; W44-K188 HydrophobicContact CD2-CG 4.34Å; W44-K188 HydrophobicContact CH2-CB 3.9Å; W44-K188 HydrophobicContact CH2-CG 3.91Å; W44-K188 HydrophobicContact CZ2-CB 3.66Å; W44-K188 HydrophobicContact CZ2-CD 4.25Å; W44-K188 HydrophobicContact CZ2-CG 3.58Å; W44-K188 HydrophobicContact CZ3-CG 4.4Å; W44-F191 HydrophobicContact CH2-CB 3.78Å; W44-F191 HydrophobicContact CZ3-CB 3.79Å; W44-F191 HydrophobicContact CZ3-CD2 4.38Å; W44-F191 HydrophobicContact CZ3-CG 4.19Å
45	G	87.4	Confident	91.5	Very high	48 Å²	48	59.5 Å²	59.5	50%	0.495	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-49.4	-179.4	0	0	0	0	0	113.2	A40	A40-G45 PolarHBondContact O-N 3.16Å
46	D	87.6	Confident	91.6	Very high	76 Å²	76	67.4 Å²	67.4	41%	0.406	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	25.7	-175.9	-47.4	-42.7	0	0	0	112.5	W44 Q48 E49 D50 R184	W44-D46 PolarHBondContact O-N 2.96Å; D46-Q48 VanDerWaalsContact C-N 3.28Å; D46-Q48 PolarHBondContact O-N 2.95Å; D46-E49 HydrophobicContact CB-CB 4.48Å; D46-E49 PolarHBondContact O-N 3.38Å; D46-D50 PolarHBondContact O-N 2.98Å; D46-R184 IonicContact OD2-NH2 3.86Å
47	E	88.2	Confident	91.7	Very high	19 Å²	19	70 Å²	70	9%	0.089	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.8	-168.9	67.9	172.4	146.6	0	0	114.2	W44 Y65 S72	W44-E47 VanDerWaalsContact CD1-OE2 3.3Å; W44-E47 WeakPolarHBondContact O-CB 3.34Å; W44-E47 WeakPolarHBondContact O-CG 3.21Å; W44-E47 PolarHBondContact O-N 3.16Å; E47-Y65 HydrophobicContact CG-CE2 4.48Å; E47-Y65 VanDerWaalsContact CG-OH 3.28Å; E47-Y65 WeakPolarHBondContact CG-OH 3.45Å; E47-Y65 PolarHBondContact OE1-OH 2.95Å; E47-Y65 PolarHBondContact OE2-OH 3.09Å; E47-S72 WeakPolarHBondContact OE1-CB 3.28Å; E47-S72 PolarHBondContact OE1-OG 3.26Å
48	Q	87.7	Confident	91.9	Very high	100 Å²	100	70.2 Å²	70.2	47%	0.467	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-32.7	179.9	-174.3	175.8	-11.3	0	0	111.4	D46 K61 Y65	D46-Q48 VanDerWaalsContact C-N 3.28Å; D46-Q48 PolarHBondContact O-N 2.95Å; Q48-K61 WeakPolarHBondContact O-CE 3.35Å; Q48-K61 PolarHBondContact O-NZ 3.43Å; Q48-Y65 HydrophobicContact CB-CE1 4.13Å; Q48-Y65 HydrophobicContact CB-CE2 4.15Å; Q48-Y65 HydrophobicContact CG-CD1 3.98Å; Q48-Y65 HydrophobicContact CG-CD2 4.44Å; Q48-Y65 HydrophobicContact CG-CE1 4.01Å; Q48-Y65 HydrophobicContact CG-CE2 4.47Å; Q48-Y65 HydrophobicContact CG-CG 4.21Å
49	E	89.6	Confident	91.9	Very high	147 Å²	147	68.8 Å²	68.8	69%	0.687	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-47.2	178.5	-63.3	-163.7	168.1	0	0	110.8	D46 F51 K61	D46-E49 HydrophobicContact CB-CB 4.48Å; D46-E49 PolarHBondContact O-N 3.38Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 3.43Å; E49-K61 PolarHBondContact O-NZ 3.49Å
50	D	92.3	Very high	92.2	Very high	67 Å²	67	68.7 Å²	68.7	36%	0.358	38%	0.382	S	S	.	.	S	Bend	trans	-83.3	2.7	-178.9	-68.7	-22.3	0	0	0	114	D46 V52 S183 R184	D46-D50 PolarHBondContact O-N 2.98Å; D50-V52 PolarHBondContact O-N 3.47Å; D50-S183 WeakPolarHBondContact CB-OG 3.15Å; D50-S183 PolarHBondContact OD2-OG 3.41Å; D50-R184 IonicContact OD2-CZ 3.62Å; D50-R184 IonicContact OD2-NH1 3.82Å; D50-R184 IonicContact OD2-NH2 2.81Å; D50-R184 PolarHBondContact OD2-NH2 2.84Å
51	F	94.5	Very high	92.4	Very high	1 Å²	1	69.9 Å²	69.9	0%	0.004	38%	0.379	C	S	.	.			trans	-75.9	118.8	171.7	-175.4	-107.4	0	0	0	109.8	E49 C53 K61 C64 Y65 F69 L167 C180 F181 I182	E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 3.43Å; F51-C53 VanDerWaalsContact CE1-SG 3.55Å; F51-K61 HydrophobicContact CD1-CG 4.02Å; F51-K61 VanDerWaalsContact O-CD 3.24Å; F51-K61 WeakPolarHBondContact O-CD 3.36Å; F51-K61 WeakPolarHBondContact O-CE 3.29Å; F51-K61 PolarHBondContact O-NZ 3.06Å; F51-C64 HydrophobicContact CE1-CB 4.12Å; F51-C64 HydrophobicContact CZ-CB 4.41Å; F51-Y65 HydrophobicContact CB-CD2 4.03Å; F51-Y65 HydrophobicContact CD1-CD2 4.02Å; F51-Y65 HydrophobicContact CD1-CG 4.36Å; F51-Y65 HydrophobicContact CD2-CD2 4.31Å; F51-Y65 AromaticContact CG-CD2 3.87Å; F51-Y65 HydrophobicContact CG-CD2 3.87Å; F51-F69 HydrophobicContact CE2-CE2 4.29Å; F51-L167 HydrophobicContact CE2-CD1 4.16Å; F51-C180 HydrophobicContact CE1-CB 4.01Å; F51-C180 HydrophobicContact CE2-CB 3.87Å; F51-C180 HydrophobicContact CZ-CB 3.37Å; F51-F181 WeakPolarHBondContact CD2-O 3.3Å; F51-I182 HydrophobicContact CD2-CG1 4.29Å; F51-I182 HydrophobicContact CE2-CG1 4.08Å
52	V	95.7	Very high	92.8	Very high	83 Å²	83	67.5 Å²	67.5	50%	0.503	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.7	-172.7	179.8	0	0	0	0	110	D50 C180 F181	D50-V52 PolarHBondContact O-N 3.47Å; V52-C180 CarbonylContact O-C 3.48Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.2Å; V52-F181 PolarHBondContact N-O 2.96Å; V52-F181 PolarHBondContact O-N 2.99Å
53	C	96.6	Very high	93.2	Very high	14 Å²	14	63.9 Å²	63.9	10%	0.095	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.4	171.3	-62.1	0	0	0	0	110.3	F51 T55 D179 C180	F51-C53 VanDerWaalsContact CE1-SG 3.55Å; C53-T55 HydrophobicContact CB-CG2 3.96Å; C53-T55 PolarHBondContact O-N 2.72Å; C53-D179 CarbonylContact C-O 3.53Å; C53-D179 WeakPolarHBondContact CA-O 3.49Å; C53-C180 HydrophobicContact CB-CB 4.11Å; C53-C180 WeakPolarHBondContact CB-SG 3.37Å; C53-C180 WeakPolarHBondContact SG-CB 3.05Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.7Å
54	N	96.3	Very high	93.5	Very high	126 Å²	126	63.8 Å²	63.8	67%	0.674	36%	0.357	S	S	*	.	S	Bend	trans	-76	70.6	177.8	-172.4	13	0	0	0	111.1	D179	N54-D179 PolarHBondContact N-O 3.17Å
55	T	95.7	Very high	93.7	Very high	41 Å²	41	64.4 Å²	64.4	25%	0.252	36%	0.36	S	S	.	.			trans	-160.9	148.7	180	-176.7	0	0	0	0	110.7	C53 Q57 C60 V178	C53-T55 HydrophobicContact CB-CG2 3.96Å; C53-T55 PolarHBondContact O-N 2.72Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.41Å; T55-Q57 PolarHBondContact OG1-N 3.1Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; T55-C60 HydrophobicContact CG2-CB 3.94Å; T55-V178 HydrophobicContact CG2-CG1 4.38Å
56	L	94.9	Very high	94	Very high	180 Å²	180	67.2 Å²	67.2	94%	0.942	36%	0.363	S	S	*	.			trans	-94.2	-0.9	172.7	-62.4	174.6	0	0	0	112.3	P58	L56-P58 WeakPolarHBondContact O-CD 3.31Å
57	Q	95.6	Very high	94.3	Very high	84 Å²	84	69 Å²	69	39%	0.393	37%	0.369	S	S	.	.			trans	-70.2	121.4	-176.5	-176.9	63.9	23.3	0	0	111.1	T55 C60 P173	T55-Q57 WeakPolarHBondContact OG1-CB 3.41Å; T55-Q57 PolarHBondContact OG1-N 3.1Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; Q57-C60 HydrophobicContact CB-CB 4.2Å; Q57-C60 HydrophobicContact CG-CB 4.34Å; Q57-C60 PolarHBondContact O-N 3.49Å; Q57-P173 VanDerWaalsContact CG-O 3.25Å; Q57-P173 WeakPolarHBondContact CG-O 3.33Å
58	P	96	Very high	94.6	Very high	100 Å²	100	70.7 Å²	70.7	65%	0.649	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	141.1	178.4	26.2	-33.9	0	0	0	111	L56 C60	L56-P58 WeakPolarHBondContact O-CD 3.31Å; P58-C60 PolarHBondContact O-N 2.91Å
59	G	94.9	Very high	94.8	Very high	36 Å²	36	66.6 Å²	66.6	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-21.4	179.1	0	0	0	0	0	115.5	K61 N62 V63	G59-K61 VanDerWaalsContact C-N 3.35Å; G59-K61 PolarHBondContact O-N 2.82Å; G59-N62 PolarHBondContact O-N 3.44Å; G59-N62 VanDerWaalsContact O-N 3.08Å; G59-V63 PolarHBondContact O-N 3.29Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60	C	96.3	Very high	95	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-43.2	-179.9	177.5	0	0	0	0	112.2	T55 Q57 P58 N62 V63 C64 C174	T55-C60 HydrophobicContact CG2-CB 3.94Å; Q57-C60 HydrophobicContact CB-CB 4.2Å; Q57-C60 HydrophobicContact CG-CB 4.34Å; Q57-C60 PolarHBondContact O-N 3.49Å; P58-C60 PolarHBondContact O-N 2.91Å; C60-N62 VanDerWaalsContact C-N 3.3Å; C60-N62 PolarHBondContact O-N 3.29Å; C60-V63 VanDerWaalsContact O-CG2 3.28Å; C60-V63 WeakPolarHBondContact O-CG2 3.37Å; C60-V63 PolarHBondContact O-N 3.23Å; C60-C64 WeakPolarHBondContact O-CB 3.36Å; C60-C64 PolarHBondContact O-N 2.97Å; C60-C64 PolarHBondContact O-SG 2.97Å; C60-C174 VanDerWaalsContact CA-SG 3.59Å; C60-C174 HydrophobicContact CB-CB 4.13Å; C60-C174 WeakPolarHBondContact CB-SG 3.43Å; C60-C174 WeakPolarHBondContact SG-CB 3.28Å; C60-C174 CovalentContact SG-SG 2.04Å; C60-C174 PolarHBondContact SG-SG 2.91Å
61	K	95.1	Very high	95	Very high	67 Å²	67	62 Å²	62	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-53.7	-45.9	173.9	175.1	179.6	163.1	158.5	0	112.3	Q48 E49 F51 G59 Y65	Q48-K61 WeakPolarHBondContact O-CE 3.35Å; Q48-K61 PolarHBondContact O-NZ 3.43Å; E49-K61 PolarHBondContact O-NZ 3.49Å; F51-K61 HydrophobicContact CD1-CG 4.02Å; F51-K61 VanDerWaalsContact O-CD 3.24Å; F51-K61 WeakPolarHBondContact O-CD 3.36Å; F51-K61 WeakPolarHBondContact O-CE 3.29Å; F51-K61 PolarHBondContact O-NZ 3.06Å; G59-K61 VanDerWaalsContact C-N 3.35Å; G59-K61 PolarHBondContact O-N 2.82Å; K61-Y65 WeakPolarHBondContact O-CB 3.5Å; K61-Y65 PolarHBondContact O-N 3.12Å
62	N	95.4	Very high	94.9	Very high	95 Å²	95	62 Å²	62	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-45.6	-173.7	-68.4	13.4	0	0	0	111.5	G59 C60 Y65 D66	G59-N62 PolarHBondContact O-N 3.44Å; G59-N62 VanDerWaalsContact O-N 3.08Å; C60-N62 VanDerWaalsContact C-N 3.3Å; C60-N62 PolarHBondContact O-N 3.29Å; N62-Y65 PolarHBondContact O-N 3.3Å; N62-D66 WeakPolarHBondContact O-CB 3.32Å; N62-D66 PolarHBondContact O-N 3.11Å
63	V	96.2	Very high	94.7	Very high	46 Å²	46	58.4 Å²	58.4	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-69	-36.8	179.5	-59.3	0	0	0	0	112	G59 C60 H67 I171	G59-V63 PolarHBondContact O-N 3.29Å; G59-V63 VanDerWaalsContact O-N 3.16Å; C60-V63 VanDerWaalsContact O-CG2 3.28Å; C60-V63 WeakPolarHBondContact O-CG2 3.37Å; C60-V63 PolarHBondContact O-N 3.23Å; V63-H67 WeakPolarHBondContact O-CB 3.35Å; V63-H67 PolarHBondContact O-N 3.03Å; V63-I171 HydrophobicContact CB-CG2 4.46Å; V63-I171 HydrophobicContact CG2-CG2 4.37Å
64	C	96.1	Very high	94.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-42.7	176.7	-67.4	0	0	0	0	111.1	F51 C60 H67 F68 C169 C174	F51-C64 HydrophobicContact CE1-CB 4.12Å; F51-C64 HydrophobicContact CZ-CB 4.41Å; C60-C64 WeakPolarHBondContact O-CB 3.36Å; C60-C64 PolarHBondContact O-N 2.97Å; C60-C64 PolarHBondContact O-SG 2.97Å; C64-H67 PolarHBondContact O-N 2.87Å; C64-F68 WeakPolarHBondContact O-CD2 3.19Å; C64-F68 PolarHBondContact O-N 3.43Å; C64-F68 VanDerWaalsContact O-N 3.12Å; C64-C169 VanDerWaalsContact CA-SG 3.51Å; C64-C169 HydrophobicContact CB-CB 3.79Å; C64-C169 WeakPolarHBondContact CB-SG 3.36Å; C64-C169 WeakPolarHBondContact SG-CB 3.1Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 3.05Å; C64-C174 PolarHBondContact SG-SG 3.33Å
65	Y	94.8	Very high	94.4	Very high	22 Å²	22	60.4 Å²	60.4	9%	0.086	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-50.2	175.8	179.1	-94.3	0	0	0	111.2	E47 Q48 F51 K61 N62 H67 F68 F69	E47-Y65 HydrophobicContact CG-CE2 4.48Å; E47-Y65 VanDerWaalsContact CG-OH 3.28Å; E47-Y65 WeakPolarHBondContact CG-OH 3.45Å; E47-Y65 PolarHBondContact OE1-OH 2.95Å; E47-Y65 PolarHBondContact OE2-OH 3.09Å; Q48-Y65 HydrophobicContact CB-CE1 4.13Å; Q48-Y65 HydrophobicContact CB-CE2 4.15Å; Q48-Y65 HydrophobicContact CG-CD1 3.98Å; Q48-Y65 HydrophobicContact CG-CD2 4.44Å; Q48-Y65 HydrophobicContact CG-CE1 4.01Å; Q48-Y65 HydrophobicContact CG-CE2 4.47Å; Q48-Y65 HydrophobicContact CG-CG 4.21Å; F51-Y65 HydrophobicContact CB-CD2 4.03Å; F51-Y65 HydrophobicContact CD1-CD2 4.02Å; F51-Y65 HydrophobicContact CD1-CG 4.36Å; F51-Y65 HydrophobicContact CD2-CD2 4.31Å; F51-Y65 AromaticContact CG-CD2 3.87Å; F51-Y65 HydrophobicContact CG-CD2 3.87Å; K61-Y65 WeakPolarHBondContact O-CB 3.5Å; K61-Y65 PolarHBondContact O-N 3.12Å; N62-Y65 PolarHBondContact O-N 3.3Å; Y65-H67 VanDerWaalsContact C-N 3.32Å; Y65-H67 PolarHBondContact O-N 3.35Å; Y65-F68 PolarHBondContact O-N 3.07Å; Y65-F69 AromaticContact CD2-CD2 3.97Å; Y65-F69 HydrophobicContact CD2-CD2 3.97Å; Y65-F69 HydrophobicContact CE2-CB 4.31Å; Y65-F69 AromaticContact CE2-CD2 3.95Å; Y65-F69 HydrophobicContact CE2-CD2 3.95Å; Y65-F69 HydrophobicContact CE2-CG 4.36Å; Y65-F69 WeakPolarHBondContact O-CA 3.46Å; Y65-F69 WeakPolarHBondContact O-CB 3.33Å; Y65-F69 PolarHBondContact O-N 3.15Å
66	D	94.9	Very high	94.4	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-61.5	-38.5	180	-172.4	68.2	0	0	0	112.6	N62 F69 P70	N62-D66 WeakPolarHBondContact O-CB 3.32Å; N62-D66 PolarHBondContact O-N 3.11Å; D66-F69 CarbonylContact O-C 3.5Å; D66-P70 VanDerWaalsContact O-CA 3.25Å; D66-P70 WeakPolarHBondContact O-CA 3.44Å; D66-P70 VanDerWaalsContact O-N 3.12Å
67	H	94.1	Very high	94.4	Very high	115 Å²	115	50.9 Å²	50.9	53%	0.532	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-44.5	178.5	-178.5	82.7	0	0	0	113.8	V63 C64 Y65 I171	V63-H67 WeakPolarHBondContact O-CB 3.35Å; V63-H67 PolarHBondContact O-N 3.03Å; C64-H67 PolarHBondContact O-N 2.87Å; Y65-H67 VanDerWaalsContact C-N 3.32Å; Y65-H67 PolarHBondContact O-N 3.35Å; H67-I171 HydrophobicContact CB-CD1 3.22Å; H67-I171 WeakPolarHBondContact CD2-CD1 3.21Å; H67-I171 WeakPolarHBondContact ND1-CD1 3.41Å
68	F	92.9	Very high	94.4	Very high	54 Å²	54	48.3 Å²	48.3	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-81.7	-25	-179.1	-73.4	-68.9	0	0	0	112.9	C64 Y65 P70 L167 K168 C169	C64-F68 WeakPolarHBondContact O-CD2 3.19Å; C64-F68 PolarHBondContact O-N 3.43Å; C64-F68 VanDerWaalsContact O-N 3.12Å; Y65-F68 PolarHBondContact O-N 3.07Å; F68-P70 VanDerWaalsContact C-CD 3.44Å; F68-L167 HydrophobicContact CB-CD1 3.66Å; F68-L167 HydrophobicContact CD1-CD1 4Å; F68-L167 HydrophobicContact CD1-CD2 3.86Å; F68-L167 HydrophobicContact CD1-CG 4.35Å; F68-L167 HydrophobicContact CD2-CB 4.09Å; F68-L167 HydrophobicContact CD2-CD1 3.75Å; F68-L167 HydrophobicContact CD2-CG 4.43Å; F68-L167 HydrophobicContact CE1-CB 4.34Å; F68-L167 HydrophobicContact CE1-CD2 4.02Å; F68-L167 HydrophobicContact CE2-CB 3.93Å; F68-L167 HydrophobicContact CE2-CD1 4.42Å; F68-L167 HydrophobicContact CG-CB 4.41Å; F68-L167 HydrophobicContact CG-CD1 3.53Å; F68-L167 HydrophobicContact CG-CD2 4.28Å; F68-L167 HydrophobicContact CG-CG 4.3Å; F68-L167 HydrophobicContact CZ-CB 4.07Å; F68-K168 WeakPolarHBondContact CZ-O 3.34Å; F68-C169 HydrophobicContact CE2-CB 3.8Å
69	F	93.5	Very high	94.4	Very high	14 Å²	14	47 Å²	47	6%	0.061	25%	0.247	C	C	.	.			trans	-128.8	61.9	-179	-58.4	-72.9	0	0	0	111.6	F51 Y65 D66 V71 H73 Y158 L163 L167 I182	F51-F69 HydrophobicContact CE2-CE2 4.29Å; Y65-F69 AromaticContact CD2-CD2 3.97Å; Y65-F69 HydrophobicContact CD2-CD2 3.97Å; Y65-F69 HydrophobicContact CE2-CB 4.31Å; Y65-F69 AromaticContact CE2-CD2 3.95Å; Y65-F69 HydrophobicContact CE2-CD2 3.95Å; Y65-F69 HydrophobicContact CE2-CG 4.36Å; Y65-F69 WeakPolarHBondContact O-CA 3.46Å; Y65-F69 WeakPolarHBondContact O-CB 3.33Å; Y65-F69 PolarHBondContact O-N 3.15Å; D66-F69 CarbonylContact O-C 3.5Å; F69-V71 PolarHBondContact O-N 3.31Å; F69-V71 VanDerWaalsContact O-N 3.17Å; F69-H73 AromaticContact CE1-CE1 3.77Å; F69-Y158 HydrophobicContact CD1-CE1 4.27Å; F69-L163 HydrophobicContact CE1-CD1 3.85Å; F69-L163 HydrophobicContact CZ-CD1 4.07Å; F69-L167 HydrophobicContact CE2-CD1 3.87Å; F69-L167 HydrophobicContact CZ-CD1 4.18Å; F69-I182 HydrophobicContact CE2-CD1 4.28Å; F69-I182 HydrophobicContact CE2-CG1 4.06Å; F69-I182 HydrophobicContact CZ-CD1 3.77Å; F69-I182 HydrophobicContact CZ-CG1 3.95Å; F69-I182 HydrophobicContact CZ-CG2 4.47Å
70	P	92.4	Very high	94.5	Very high	69 Å²	69	45.4 Å²	45.4	45%	0.448	23%	0.229	S	C	.	.	S	Bend	trans	-61.1	-31.5	-177.6	25.3	-35.3	0	0	0	112.1	D66 F68	D66-P70 VanDerWaalsContact O-CA 3.25Å; D66-P70 WeakPolarHBondContact O-CA 3.44Å; D66-P70 VanDerWaalsContact O-N 3.12Å; F68-P70 VanDerWaalsContact C-CD 3.44Å
71	V	93.1	Very high	94.4	Very high	48 Å²	48	45.9 Å²	45.9	29%	0.291	23%	0.232	S	C	.	.	S	Bend	trans	-130.6	135.8	164.6	-174	0	0	0	0	106.5	F69 R75 L76 Y158	F69-V71 PolarHBondContact O-N 3.31Å; F69-V71 VanDerWaalsContact O-N 3.17Å; V71-R75 HydrophobicContact CG1-CB 3.81Å; V71-L76 HydrophobicContact CB-CD2 4.43Å; V71-L76 HydrophobicContact CB-CG 4.2Å; V71-L76 HydrophobicContact CG1-CD2 4Å; V71-L76 HydrophobicContact CG1-CG 3.76Å; V71-Y158 PolarHBondContact O-OH 3.15Å
72	S	92.1	Very high	94.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	24%	0.242	C	C	.	.			trans	-73	148.3	175.2	66.7	0	0	0	0	111.5	E47 I74 R75 L76	E47-S72 WeakPolarHBondContact OE1-CB 3.28Å; E47-S72 PolarHBondContact OE1-OG 3.26Å; S72-I74 PolarHBondContact O-N 3.36Å; S72-R75 WeakPolarHBondContact O-CB 3.33Å; S72-R75 PolarHBondContact O-N 2.73Å; S72-R75 WeakPolarHBondContact OG-CD 3.43Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; S72-L76 PolarHBondContact O-N 2.81Å
73	H	92.3	Very high	94.4	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-52	-44.4	-177	-61.7	101.2	0	0	0	111.8	W44 F69 R75 L76 W77 F154 Y158	W44-H73 HydrophobicContact CZ2-CB 4.04Å; W44-H73 AromaticContact NE1-ND1 3.69Å; F69-H73 AromaticContact CE1-CE1 3.77Å; H73-R75 VanDerWaalsContact C-N 3.29Å; H73-R75 PolarHBondContact O-N 3.23Å; H73-L76 PolarHBondContact O-N 3.24Å; H73-W77 PolarHBondContact O-N 2.69Å; H73-F154 HydrophobicContact CB-CE2 4.24Å; H73-F154 AromaticContact CD2-CE2 3.51Å; H73-F154 AromaticContact CD2-CZ 3.39Å; H73-F154 WeakPolarHBondContact CD2-CZ 3.39Å; H73-Y158 WeakPolarHBondContact CA-OH 3.26Å; H73-Y158 AromaticContact CD2-CD1 3.93Å; H73-Y158 AromaticContact CD2-CD2 3.47Å; H73-Y158 VanDerWaalsContact CD2-CD2 3.47Å; H73-Y158 WeakPolarHBondContact CD2-CD2 3.35Å; H73-Y158 AromaticContact CD2-CE1 3.71Å; H73-Y158 AromaticContact CD2-CE2 3.2Å; H73-Y158 WeakPolarHBondContact CD2-CE2 3.48Å; H73-Y158 AromaticContact CD2-CG 3.82Å; H73-Y158 AromaticContact CD2-CZ 3.33Å; H73-Y158 AromaticContact CE1-CD1 3.97Å; H73-Y158 AromaticContact CE1-CE1 3.91Å; H73-Y158 AromaticContact CG-CZ 3.86Å; H73-Y158 PolarHBondContact N-OH 3.4Å; H73-Y158 AromaticContact NE2-CD1 3.37Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.37Å; H73-Y158 AromaticContact NE2-CD2 3.57Å; H73-Y158 AromaticContact NE2-CE1 3.52Å; H73-Y158 AromaticContact NE2-CE2 3.7Å; H73-Y158 AromaticContact NE2-CG 3.39Å; H73-Y158 AromaticContact NE2-CZ 3.67Å
74	I	92.5	Very high	94.3	Very high	24 Å²	24	45.3 Å²	45.3	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-35.1	-177.6	-157	73.6	0	0	0	112.6	L36 A39 A40 W44 S72 W77 A78	L36-I74 HydrophobicContact CD1-CD1 3.68Å; L36-I74 HydrophobicContact CD1-CG1 4.13Å; L36-I74 HydrophobicContact CG-CD1 4.03Å; L36-I74 HydrophobicContact CG-CG1 4.44Å; A39-I74 HydrophobicContact CB-CD1 3.8Å; A40-I74 HydrophobicContact CB-CD1 4.11Å; A40-I74 HydrophobicContact CB-CG1 3.79Å; W44-I74 HydrophobicContact CB-CB 4.41Å; W44-I74 HydrophobicContact CB-CG2 4.34Å; W44-I74 HydrophobicContact CE3-CD1 4.47Å; W44-I74 HydrophobicContact CG-CB 4.27Å; S72-I74 PolarHBondContact O-N 3.36Å; I74-W77 PolarHBondContact O-N 2.62Å; I74-A78 WeakPolarHBondContact O-CB 3.27Å; I74-A78 PolarHBondContact O-N 2.86Å
75	R	94.3	Very high	94	Very high	159 Å²	159	46.5 Å²	46.5	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-69.3	-41.7	177.1	-67.9	175.2	-171	174.9	6.4	111	V71 S72 H73 A78 L79	V71-R75 HydrophobicContact CG1-CB 3.81Å; S72-R75 WeakPolarHBondContact O-CB 3.33Å; S72-R75 PolarHBondContact O-N 2.73Å; S72-R75 WeakPolarHBondContact OG-CD 3.43Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; H73-R75 VanDerWaalsContact C-N 3.29Å; H73-R75 PolarHBondContact O-N 3.23Å; R75-A78 PolarHBondContact O-N 3.09Å; R75-L79 WeakPolarHBondContact O-CG 3.46Å; R75-L79 PolarHBondContact O-N 2.9Å
76	L	94.4	Very high	93.9	Very high	15 Å²	15	48.5 Å²	48.5	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-42.4	174	-74.4	179.3	0	0	0	111.9	V71 S72 H73 A78 L79 Q80 L157 Y158	V71-L76 HydrophobicContact CB-CD2 4.43Å; V71-L76 HydrophobicContact CB-CG 4.2Å; V71-L76 HydrophobicContact CG1-CD2 4Å; V71-L76 HydrophobicContact CG1-CG 3.76Å; S72-L76 PolarHBondContact O-N 2.81Å; H73-L76 PolarHBondContact O-N 3.24Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 3.27Å; L76-L79 PolarHBondContact O-N 3.41Å; L76-Q80 WeakPolarHBondContact O-CB 3.46Å; L76-Q80 PolarHBondContact O-N 2.82Å; L76-L157 HydrophobicContact CD1-CD1 3.81Å; L76-Y158 HydrophobicContact CD1-CE2 3.67Å; L76-Y158 WeakPolarHBondContact CD1-OH 3.09Å
77	W	95.7	Very high	93.7	Very high	5 Å²	5	44 Å²	44	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-40	175.5	-69.9	123.5	0	0	0	112.6	L36 H73 I74 Q80 L81 F154 T192 M195 I196	L36-W77 HydrophobicContact CD1-CB 3.39Å; L36-W77 HydrophobicContact CD1-CG 4.49Å; H73-W77 PolarHBondContact O-N 2.69Å; I74-W77 PolarHBondContact O-N 2.62Å; W77-Q80 PolarHBondContact O-N 3.28Å; W77-L81 WeakPolarHBondContact O-CG 3.44Å; W77-L81 PolarHBondContact O-N 2.99Å; W77-F154 HydrophobicContact CD2-CE2 4.47Å; W77-F154 AromaticContact CE2-CE2 3.47Å; W77-F154 VanDerWaalsContact CE2-CE2 3.47Å; W77-F154 HydrophobicContact CH2-CD2 4.37Å; W77-F154 HydrophobicContact CH2-CE2 4.39Å; W77-F154 HydrophobicContact CZ2-CD1 4.49Å; W77-F154 AromaticContact CZ2-CD2 3.79Å; W77-F154 HydrophobicContact CZ2-CD2 3.79Å; W77-F154 HydrophobicContact CZ2-CE1 4.19Å; W77-F154 AromaticContact CZ2-CE2 3.41Å; W77-F154 HydrophobicContact CZ2-CE2 3.41Å; W77-F154 VanDerWaalsContact CZ2-CE2 3.41Å; W77-F154 HydrophobicContact CZ2-CG 4.32Å; W77-F154 AromaticContact CZ2-CZ 3.64Å; W77-F154 HydrophobicContact CZ2-CZ 3.64Å; W77-F154 AromaticContact NE1-CE2 3.42Å; W77-F154 AromaticContact NE1-CZ 3.95Å; W77-T192 HydrophobicContact CZ2-CG2 4.45Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 3.91Å; W77-M195 HydrophobicContact CD2-CE 3.88Å; W77-M195 HydrophobicContact CD2-CG 4.31Å; W77-M195 HydrophobicContact CE3-CB 3.96Å; W77-M195 HydrophobicContact CE3-CE 3.82Å; W77-M195 HydrophobicContact CG-CE 3.89Å; W77-M195 HydrophobicContact CH2-CB 3.8Å; W77-M195 HydrophobicContact CZ2-CB 3.7Å; W77-M195 HydrophobicContact CZ3-CB 3.9Å; W77-I196 HydrophobicContact CH2-CG1 3.58Å; W77-I196 HydrophobicContact CZ2-CG1 3.9Å
78	A	95.9	Very high	93.3	Very high	31 Å²	31	40.4 Å²	40.4	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-47.2	175.6	0	0	0	0	0	111.5	L36 I74 R75 L76 Q80 L81 I82	L36-A78 HydrophobicContact CD2-CB 4.12Å; I74-A78 WeakPolarHBondContact O-CB 3.27Å; I74-A78 PolarHBondContact O-N 2.86Å; R75-A78 PolarHBondContact O-N 3.09Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 3.27Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.46Å; A78-I82 WeakPolarHBondContact O-CG1 3.2Å; A78-I82 PolarHBondContact O-N 3.48Å
79	L	96.3	Very high	93	Very high	73 Å²	73	43.3 Å²	43.3	38%	0.382	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-45.6	175.3	-72.3	170.2	0	0	0	111.1	R75 L76 L81 I82 F83 F150	R75-L79 WeakPolarHBondContact O-CG 3.46Å; R75-L79 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 3.41Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.46Å; L79-I82 PolarHBondContact O-N 2.97Å; L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.18Å; L79-F83 PolarHBondContact O-N 3.46Å; L79-F150 HydrophobicContact CB-CE1 3.77Å; L79-F150 HydrophobicContact CB-CZ 3.98Å
80	Q	96.3	Very high	92.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-47.3	176.2	-178.8	179.8	-1.7	0	0	111.8	L76 W77 A78 I82 F83 V84 E147 F150 S199	L76-Q80 WeakPolarHBondContact O-CB 3.46Å; L76-Q80 PolarHBondContact O-N 2.82Å; W77-Q80 PolarHBondContact O-N 3.28Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 2.89Å; Q80-I82 PolarHBondContact O-N 3.44Å; Q80-F83 PolarHBondContact O-N 3.26Å; Q80-V84 HydrophobicContact CG-CG2 4.28Å; Q80-V84 VanDerWaalsContact O-CB 3.31Å; Q80-V84 WeakPolarHBondContact O-CB 3.34Å; Q80-V84 WeakPolarHBondContact O-CG2 3.5Å; Q80-V84 PolarHBondContact O-N 2.94Å; Q80-E147 PolarHBondContact NE2-OE2 3.4Å; Q80-F150 HydrophobicContact CB-CB 3.85Å; Q80-F150 HydrophobicContact CB-CD1 3.81Å; Q80-F150 HydrophobicContact CB-CD2 4Å; Q80-F150 HydrophobicContact CB-CE1 4.36Å; Q80-F150 HydrophobicContact CB-CG 3.61Å; Q80-F150 HydrophobicContact CG-CB 3.61Å; Q80-F150 HydrophobicContact CG-CD1 4.5Å; Q80-F150 HydrophobicContact CG-CD2 4.07Å; Q80-F150 HydrophobicContact CG-CG 3.82Å; Q80-S199 PolarHBondContact NE2-OG 2.89Å
81	L	94.4	Very high	92.3	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-44.5	177.8	-75.4	172.4	0	0	0	111.7	F29 R32 V33 L36 W77 A78 L79 V84 S85	F29-L81 HydrophobicContact CD2-CD2 4.01Å; F29-L81 HydrophobicContact CE2-CD2 3.6Å; F29-L81 HydrophobicContact CZ-CD2 4.35Å; R32-L81 HydrophobicContact CB-CD2 3.96Å; V33-L81 HydrophobicContact CG2-CD1 4.27Å; L36-L81 HydrophobicContact CB-CD1 4.32Å; L36-L81 HydrophobicContact CD1-CD1 4.43Å; L36-L81 HydrophobicContact CD2-CD1 4.02Å; L36-L81 HydrophobicContact CG-CD1 4.5Å; W77-L81 WeakPolarHBondContact O-CG 3.44Å; W77-L81 PolarHBondContact O-N 2.99Å; A78-L81 PolarHBondContact O-N 3.46Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.46Å; L81-V84 PolarHBondContact O-N 2.9Å; L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.27Å; L81-S85 PolarHBondContact O-N 3.41Å; L81-S85 PolarHBondContact O-OG 3.26Å
82	I	95	Very high	91.7	Very high	99 Å²	99	45.9 Å²	45.9	51%	0.508	25%	0.25	S	C	.	.	H	α-helix	trans	-57.8	-54.2	177.1	-67.6	164.2	0	0	0	110.5	A78 L79 Q80 V84 S85 T86	A78-I82 WeakPolarHBondContact O-CG1 3.2Å; A78-I82 PolarHBondContact O-N 3.48Å; L79-I82 PolarHBondContact O-N 2.97Å; Q80-I82 PolarHBondContact O-N 3.44Å; I82-V84 VanDerWaalsContact C-N 3.34Å; I82-V84 PolarHBondContact O-N 3.1Å; I82-S85 PolarHBondContact O-N 2.88Å; I82-T86 PolarHBondContact O-N 3.5Å; I82-T86 PolarHBondContact O-OG1 3.2Å
83	F	96.3	Very high	91.2	Very high	92 Å²	92	52.3 Å²	52.3	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-37	-177.9	-86.1	-93.3	0	0	0	112.7	L79 Q80 P87 F146 F150	L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.18Å; L79-F83 PolarHBondContact O-N 3.46Å; Q80-F83 PolarHBondContact O-N 3.26Å; F83-P87 WeakPolarHBondContact O-CD 3.33Å; F83-F146 HydrophobicContact CB-CB 4.36Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.16Å; F83-F146 HydrophobicContact CD1-CD1 4.23Å; F83-F146 HydrophobicContact CD1-CE1 4Å; F83-F146 HydrophobicContact CD1-CE2 4.38Å; F83-F146 HydrophobicContact CD1-CZ 4.09Å; F83-F146 VanDerWaalsContact O-CD2 3.27Å; F83-F146 WeakPolarHBondContact O-CD2 3.25Å; F83-F150 HydrophobicContact CB-CE2 3.68Å; F83-F150 HydrophobicContact CB-CZ 4.33Å; F83-F150 AromaticContact CD2-CE2 3.93Å; F83-F150 HydrophobicContact CD2-CE2 3.93Å; F83-F150 AromaticContact CD2-CZ 3.73Å; F83-F150 HydrophobicContact CD2-CZ 3.73Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.82Å; F83-F150 HydrophobicContact CG-CE2 3.82Å; F83-F150 HydrophobicContact CG-CZ 4.12Å
84	V	93.8	Very high	90.7	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-73.2	-30.5	177.3	172.5	0	0	0	0	112	Q80 L81 I82 F146 E147	Q80-V84 HydrophobicContact CG-CG2 4.28Å; Q80-V84 VanDerWaalsContact O-CB 3.31Å; Q80-V84 WeakPolarHBondContact O-CB 3.34Å; Q80-V84 WeakPolarHBondContact O-CG2 3.5Å; Q80-V84 PolarHBondContact O-N 2.94Å; L81-V84 PolarHBondContact O-N 2.9Å; I82-V84 VanDerWaalsContact C-N 3.34Å; I82-V84 PolarHBondContact O-N 3.1Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; V84-E147 HydrophobicContact CG1-CG 4.24Å; V84-E147 HydrophobicContact CG2-CG 3.72Å
85	S	89.8	Confident	90.1	Very high	26 Å²	26	56.9 Å²	56.9	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-74.6	-35.9	175.2	-64.5	0	0	0	0	113.3	F29 L81 I82 A88 L89	F29-S85 WeakPolarHBondContact CE2-OG 3.44Å; F29-S85 WeakPolarHBondContact CZ-OG 3.32Å; L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.27Å; L81-S85 PolarHBondContact O-N 3.41Å; L81-S85 PolarHBondContact O-OG 3.26Å; I82-S85 PolarHBondContact O-N 2.88Å; S85-A88 WeakPolarHBondContact O-CB 3.02Å; S85-A88 PolarHBondContact O-N 3.18Å; S85-L89 WeakPolarHBondContact O-CG 3.43Å; S85-L89 PolarHBondContact O-N 3.05Å
86	T	92	Very high	89.4	Confident	63 Å²	63	52.1 Å²	52.1	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-54.6	-49.3	-172.7	-66.7	0	0	0	0	113.2	I82 A88 L89 L90	I82-T86 PolarHBondContact O-N 3.5Å; I82-T86 PolarHBondContact O-OG1 3.2Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.19Å; T86-L89 PolarHBondContact O-N 2.93Å; T86-L90 HydrophobicContact CG2-CD1 3.93Å; T86-L90 HydrophobicContact CG2-CG 4.24Å; T86-L90 WeakPolarHBondContact O-CB 3.27Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 2.79Å; T86-L90 PolarHBondContact O-N 3.46Å
87	P	90.8	Very high	88.9	Confident	12 Å²	12	57.9 Å²	57.9	8%	0.078	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-34.8	177.3	-22.3	32.1	0	0	0	113.5	F83 V91 F142 R143 F146	F83-P87 WeakPolarHBondContact O-CD 3.33Å; P87-V91 WeakPolarHBondContact O-CG2 3.47Å; P87-V91 PolarHBondContact O-N 3.03Å; P87-V91 VanDerWaalsContact O-N 3.14Å; P87-F142 HydrophobicContact CG-CB 4.1Å; P87-R143 HydrophobicContact CB-CG 3.92Å; P87-R143 HydrophobicContact CG-CG 4Å; P87-F146 HydrophobicContact CG-CD2 4.18Å; P87-F146 HydrophobicContact CG-CE2 3.98Å
88	A	86.3	Confident	88.2	Confident	40 Å²	40	64.2 Å²	64.2	33%	0.331	35%	0.347	S	S	.	.	H	α-helix	trans	-68.5	-43.7	177.7	0	0	0	0	0	111.4	S85 T86 V91 A92	S85-A88 WeakPolarHBondContact O-CB 3.02Å; S85-A88 PolarHBondContact O-N 3.18Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.19Å; A88-V91 PolarHBondContact O-N 3.48Å; A88-A92 PolarHBondContact O-N 2.95Å
89	L	85.8	Confident	87.3	Confident	116 Å²	116	70.8 Å²	70.8	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-65.5	-40.8	176.4	-67.7	176.8	0	0	0	111.9	S85 T86 V91 A92 M93	S85-L89 WeakPolarHBondContact O-CG 3.43Å; S85-L89 PolarHBondContact O-N 3.05Å; T86-L89 PolarHBondContact O-N 2.93Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 3.48Å; L89-A92 PolarHBondContact O-N 3.29Å; L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.31Å; L89-M93 PolarHBondContact O-N 2.97Å
90	L	86.8	Confident	86.5	Confident	106 Å²	106	72.3 Å²	72.3	56%	0.555	37%	0.37	S	S	*	.	H	α-helix	trans	-61.4	-41.7	176.2	-73.1	175.4	0	0	0	111.9	T86 M93 H94	T86-L90 HydrophobicContact CG2-CD1 3.93Å; T86-L90 HydrophobicContact CG2-CG 4.24Å; T86-L90 WeakPolarHBondContact O-CB 3.27Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 2.79Å; T86-L90 PolarHBondContact O-N 3.46Å; L90-M93 PolarHBondContact O-N 3.26Å; L90-H94 VanDerWaalsContact O-CB 3.3Å; L90-H94 WeakPolarHBondContact O-CB 3.48Å; L90-H94 PolarHBondContact O-N 3.13Å
91	V	84.4	Confident	85.8	Confident	21 Å²	21	75.3 Å²	75.3	13%	0.127	38%	0.384	C	S	.	.	H	α-helix	trans	-65.8	-44.7	174.6	169.2	0	0	0	0	111.4	P87 A88 L89 M93 H94 V95 Y136 S139	P87-V91 WeakPolarHBondContact O-CG2 3.47Å; P87-V91 PolarHBondContact O-N 3.03Å; P87-V91 VanDerWaalsContact O-N 3.14Å; A88-V91 PolarHBondContact O-N 3.48Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 3.48Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.05Å; V91-H94 PolarHBondContact O-N 3.14Å; V91-V95 HydrophobicContact CG1-CG2 4.34Å; V91-V95 VanDerWaalsContact O-CG2 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 2.9Å; V91-Y136 HydrophobicContact CG1-CD2 4.15Å; V91-S139 VanDerWaalsContact CG2-CB 3.45Å
92	A	81.1	Confident	85	Confident	58 Å²	58	76.8 Å²	76.8	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-43.7	177.5	0	0	0	0	0	111.4	A88 L89 V95 A96	A88-A92 PolarHBondContact O-N 2.95Å; L89-A92 PolarHBondContact O-N 3.29Å; A92-V95 PolarHBondContact O-N 3.19Å; A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.43Å; A92-A96 PolarHBondContact O-N 3.26Å
93	M	81.5	Confident	84.2	Confident	137 Å²	137	75.4 Å²	75.4	68%	0.675	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-46	175.1	-172.8	-178.9	-169.2	0	0	111.4	L89 L90 V91 V95 A96 Y97	L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.31Å; L89-M93 PolarHBondContact O-N 2.97Å; L90-M93 PolarHBondContact O-N 3.26Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.05Å; M93-V95 PolarHBondContact O-N 3.31Å; M93-A96 PolarHBondContact O-N 3.36Å; M93-Y97 VanDerWaalsContact O-CB 3.26Å; M93-Y97 WeakPolarHBondContact O-CB 3.28Å; M93-Y97 PolarHBondContact O-N 2.89Å
94	H	81.3	Confident	83.4	Confident	68 Å²	68	78.7 Å²	78.7	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-43.8	177.4	179.7	-93.8	0	0	0	112	L90 V91 Y98	L90-H94 VanDerWaalsContact O-CB 3.3Å; L90-H94 WeakPolarHBondContact O-CB 3.48Å; L90-H94 PolarHBondContact O-N 3.13Å; V91-H94 PolarHBondContact O-N 3.14Å; H94-Y98 WeakPolarHBondContact O-CB 3.17Å; H94-Y98 PolarHBondContact O-N 2.75Å
95	V	80.9	Confident	82.8	Confident	57 Å²	57	85.5 Å²	85.5	35%	0.345	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-45.7	175.6	171.9	0	0	0	0	111.1	V91 A92 M93 Y98 R99 L132	V91-V95 HydrophobicContact CG1-CG2 4.34Å; V91-V95 VanDerWaalsContact O-CG2 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 2.9Å; A92-V95 PolarHBondContact O-N 3.19Å; M93-V95 PolarHBondContact O-N 3.31Å; V95-Y98 PolarHBondContact O-N 3.14Å; V95-R99 WeakPolarHBondContact O-CB 3.29Å; V95-R99 PolarHBondContact O-N 3.24Å; V95-L132 HydrophobicContact CG2-CD1 3.9Å; V95-L132 HydrophobicContact CG2-CD2 4.46Å; V95-L132 HydrophobicContact CG2-CG 4.49Å
96	A	79.1	Confident	81.8	Confident	59 Å²	59	90.1 Å²	90.1	49%	0.488	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-44.5	179.4	0	0	0	0	0	111.6	A92 M93 R99 H100	A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.43Å; A92-A96 PolarHBondContact O-N 3.26Å; M93-A96 PolarHBondContact O-N 3.36Å; A96-R99 PolarHBondContact O-N 3.45Å; A96-H100 WeakPolarHBondContact O-CB 3.29Å; A96-H100 PolarHBondContact O-N 2.89Å
97	Y	83.4	Confident	80.8	Confident	136 Å²	136	97.5 Å²	97.5	53%	0.533	47%	0.466	S	S	.	.	H	α-helix	trans	-59.1	-51.6	175.8	-179.3	-91.5	0	0	0	111.5	M93 R99 H100 E101	M93-Y97 VanDerWaalsContact O-CB 3.26Å; M93-Y97 WeakPolarHBondContact O-CB 3.28Å; M93-Y97 PolarHBondContact O-N 2.89Å; Y97-R99 VanDerWaalsContact C-N 3.33Å; Y97-R99 PolarHBondContact O-N 3.45Å; Y97-H100 PolarHBondContact O-N 2.77Å; Y97-H100 VanDerWaalsContact O-N 3.16Å; Y97-E101 HydrophobicContact CD1-CG 4.45Å; Y97-E101 HydrophobicContact CE1-CG 3.86Å; Y97-E101 WeakPolarHBondContact CE1-OE1 3.44Å; Y97-E101 VanDerWaalsContact CZ-OE1 3.23Å; Y97-E101 PolarHBondContact O-N 3.37Å; Y97-E101 PolarHBondContact OH-OE1 3.32Å
98	Y	80.4	Confident	80	Confident	139 Å²	139	107.7 Å²	107.7	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-41.8	-179.9	-173.7	-96.1	0	0	0	112.2	H94 V95 E101 T102	H94-Y98 WeakPolarHBondContact O-CB 3.17Å; H94-Y98 PolarHBondContact O-N 2.75Å; V95-Y98 PolarHBondContact O-N 3.14Å; Y98-E101 PolarHBondContact O-N 2.91Å; Y98-T102 HydrophobicContact CD1-CG2 4.32Å; Y98-T102 HydrophobicContact CE1-CG2 3.92Å; Y98-T102 WeakPolarHBondContact O-CG2 3.3Å; Y98-T102 PolarHBondContact O-N 2.82Å; Y98-T102 PolarHBondContact O-OG1 2.81Å
99	R	78.6	Confident	79.1	Confident	169 Å²	169	108.2 Å²	108.2	64%	0.638	51%	0.512	S	S	*	.	H	α-helix	trans	-64.7	-39.5	176.2	-171.3	176.4	-172.9	166.1	3.7	112.3	V95 A96 Y97 T102 T103	V95-R99 WeakPolarHBondContact O-CB 3.29Å; V95-R99 PolarHBondContact O-N 3.24Å; A96-R99 PolarHBondContact O-N 3.45Å; Y97-R99 VanDerWaalsContact C-N 3.33Å; Y97-R99 PolarHBondContact O-N 3.45Å; R99-T102 WeakPolarHBondContact CA-OG1 3.35Å; R99-T102 PolarHBondContact O-OG1 3.45Å; R99-T103 WeakPolarHBondContact O-CB 3.39Å; R99-T103 PolarHBondContact O-N 2.99Å; R99-T103 VanDerWaalsContact O-N 3.1Å; R99-T103 PolarHBondContact O-OG1 3.4Å
100	H	78.7	Confident	77.6	Confident	104 Å²	104	109.6 Å²	109.6	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-67.9	-43.1	178.6	-179.5	-103.1	0	0	0	111.7	A96 Y97 T103 R104	A96-H100 WeakPolarHBondContact O-CB 3.29Å; A96-H100 PolarHBondContact O-N 2.89Å; Y97-H100 PolarHBondContact O-N 2.77Å; Y97-H100 VanDerWaalsContact O-N 3.16Å; H100-T103 PolarHBondContact O-N 2.67Å; H100-R104 PolarHBondContact CE1-NE 3.21Å; H100-R104 PolarHBondContact O-N 2.96Å
101	E	82.5	Confident	76	Confident	66 Å²	66	112.6 Å²	112.6	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-47	176	-84.7	-154.8	166.8	0	0	113	Y97 Y98 T103 R104 K105	Y97-E101 HydrophobicContact CD1-CG 4.45Å; Y97-E101 HydrophobicContact CE1-CG 3.86Å; Y97-E101 WeakPolarHBondContact CE1-OE1 3.44Å; Y97-E101 VanDerWaalsContact CZ-OE1 3.23Å; Y97-E101 PolarHBondContact O-N 3.37Å; Y97-E101 PolarHBondContact OH-OE1 3.32Å; Y98-E101 PolarHBondContact O-N 2.91Å; E101-T103 PolarHBondContact O-N 3.38Å; E101-R104 WeakPolarHBondContact O-CB 3.42Å; E101-R104 PolarHBondContact O-N 3.12Å; E101-K105 PolarHBondContact O-N 2.89Å
102	T	76.5	Confident	74.3	Confident	41 Å²	41	122.2 Å²	122.2	25%	0.252	56%	0.563	S	S	.	*	H	α-helix	trans	-59	-48.5	178	43.2	0	0	0	0	110.7	Y98 R99 R104 K105 F106	Y98-T102 HydrophobicContact CD1-CG2 4.32Å; Y98-T102 HydrophobicContact CE1-CG2 3.92Å; Y98-T102 WeakPolarHBondContact O-CG2 3.3Å; Y98-T102 PolarHBondContact O-N 2.82Å; Y98-T102 PolarHBondContact O-OG1 2.81Å; R99-T102 WeakPolarHBondContact CA-OG1 3.35Å; R99-T102 PolarHBondContact O-OG1 3.45Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.01Å; T102-K105 PolarHBondContact O-N 3.24Å; T102-K105 VanDerWaalsContact O-N 3.1Å; T102-F106 WeakPolarHBondContact O-CD2 3.4Å; T102-F106 PolarHBondContact O-N 3.39Å
103	T	77.8	Confident	72.8	Confident	70 Å²	70	126.3 Å²	126.3	43%	0.429	58%	0.577	S	S	.	*	H	α-helix	trans	-57.4	-39.4	175.7	-53.5	0	0	0	0	112.4	R99 H100 E101 R107	R99-T103 WeakPolarHBondContact O-CB 3.39Å; R99-T103 PolarHBondContact O-N 2.99Å; R99-T103 VanDerWaalsContact O-N 3.1Å; R99-T103 PolarHBondContact O-OG1 3.4Å; H100-T103 PolarHBondContact O-N 2.67Å; E101-T103 PolarHBondContact O-N 3.38Å; T103-R107 PolarHBondContact O-N 3.35Å
104	R	81.3	Confident	71.4	Confident	160 Å²	160	123.9 Å²	123.9	60%	0.604	56%	0.564	S	S	*	*	H	α-helix	trans	-65.2	-40.9	175.5	-88	-171.5	168.6	-158.9	-2	112.9	H100 E101 T102 R108	H100-R104 PolarHBondContact CE1-NE 3.21Å; H100-R104 PolarHBondContact O-N 2.96Å; E101-R104 WeakPolarHBondContact O-CB 3.42Å; E101-R104 PolarHBondContact O-N 3.12Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.01Å; R104-R108 PolarHBondContact O-N 3.4Å
105	K	79.3	Confident	69.9	Low	147 Å²	147	128.5 Å²	128.5	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-66.6	-42.3	177	-71.3	178.6	-177.7	173.5	0	111.3	E101 T102 R108 G109	E101-K105 PolarHBondContact O-N 2.89Å; T102-K105 PolarHBondContact O-N 3.24Å; T102-K105 VanDerWaalsContact O-N 3.1Å; K105-R108 PolarHBondContact O-N 3.03Å; K105-R108 VanDerWaalsContact O-N 3.14Å; K105-G109 PolarHBondContact O-N 3.29Å
106	F	70.7	Confident	68.2	Low	124 Å²	124	134 Å²	134	54%	0.544	60%	0.602	S	S	.	*	H	α-helix	trans	-60.9	-44.4	174.3	-75.7	-67.6	0	0	0	112.5	T102 R108 G109 I121	T102-F106 WeakPolarHBondContact O-CD2 3.4Å; T102-F106 PolarHBondContact O-N 3.39Å; F106-R108 PolarHBondContact O-N 3.05Å; F106-R108 VanDerWaalsContact O-N 3.1Å; F106-G109 CarbonylContact O-C 3.58Å; F106-G109 PolarHBondContact O-N 3.23Å; F106-I121 HydrophobicContact CE2-CD1 4.25Å; F106-I121 HydrophobicContact CZ-CD1 4.17Å
107	R	70.6	Confident	66.9	Low	217 Å²	217	135.5 Å²	135.5	82%	0.819	60%	0.602	S	S	*	*	H	α-helix	trans	-61.6	-19.9	175.6	-87.2	179.3	119.8	165.6	0.5	114.6	T103	T103-R107 PolarHBondContact O-N 3.35Å
108	R	73.9	Confident	65.3	Low	227 Å²	227	133.8 Å²	133.8	86%	0.857	60%	0.601	S	S	*	*	H	α-helix	trans	-92.1	-14.2	176.2	-76.1	-177.6	175.7	177.2	-2.3	113.3	R104 K105 F106	R104-R108 PolarHBondContact O-N 3.4Å; K105-R108 PolarHBondContact O-N 3.03Å; K105-R108 VanDerWaalsContact O-N 3.14Å; F106-R108 PolarHBondContact O-N 3.05Å; F106-R108 VanDerWaalsContact O-N 3.1Å
109	G	65.9	Low	63.7	Low	50 Å²	50	132.3 Å²	132.3	52%	0.515	60%	0.6	S	S	.	*	S	Bend	trans	-118.4	95.8	-179.2	0	0	0	0	0	112.4	K105 F106	K105-G109 PolarHBondContact O-N 3.29Å; F106-G109 CarbonylContact O-C 3.58Å; F106-G109 PolarHBondContact O-N 3.23Å
110	D	54.6	Low	62.2	Low	145 Å²	145	128.5 Å²	128.5	78%	0.775	59%	0.592	S	S	*	*			trans	45.6	131.4	162.2	-155.6	14.7	0	0	0	121.2
111	K	53.1	Low	60.9	Low	170 Å²	170	127.5 Å²	127.5	74%	0.739	59%	0.589	S	S	*	*	S	Bend	trans	-94.4	12.3	-164.6	-76.9	-170.9	174.8	176.6	0	116.5	E114	K111-E114 VanDerWaalsContact C-OE2 3.3Å; K111-E114 WeakPolarHBondContact CA-OE2 3.39Å; K111-E114 WeakPolarHBondContact CB-OE2 3.49Å; K111-E114 WeakPolarHBondContact CG-OE2 3.29Å
112	R	50.2	Low	59.1	Low	223 Å²	223	132.8 Å²	132.8	84%	0.842	61%	0.611	S	S	*	*	S	Bend	trans	-105.3	-20	-163.6	-153.4	162.6	177.9	179.5	-2.7	117
113	N	48.1	Very low	57.5	Low	144 Å²	144	138.5 Å²	138.5	77%	0.77	63%	0.632	S	S	*	*	S	Bend	trans	-99.6	15.8	174.3	-73	-24.1	0	0	0	113	F115	N113-F115 PolarHBondContact O-N 2.96Å
114	E	53.4	Low	55.8	Low	86 Å²	86	140.8 Å²	140.8	40%	0.402	64%	0.638	S	S	.	*	H	α-helix	trans	-78.9	-16.9	-146.5	-148	177.5	168.7	0	0	116	K111 I118	K111-E114 VanDerWaalsContact C-OE2 3.3Å; K111-E114 WeakPolarHBondContact CA-OE2 3.39Å; K111-E114 WeakPolarHBondContact CB-OE2 3.49Å; K111-E114 WeakPolarHBondContact CG-OE2 3.29Å; E114-I118 HydrophobicContact CG-CD1 4.28Å; E114-I118 VanDerWaalsContact O-CD1 3.31Å; E114-I118 WeakPolarHBondContact O-CD1 3.36Å; E114-I118 VanDerWaalsContact O-CG1 3.28Å; E114-I118 WeakPolarHBondContact O-CG1 3.31Å
115	F	48.2	Very low	53.9	Low	164 Å²	164	140.1 Å²	140.1	72%	0.719	64%	0.64	S	S	*	*	H	α-helix	trans	-90.9	-34.2	-178.6	-164.3	-97.4	0	0	0	113.8	N113	N113-F115 PolarHBondContact O-N 2.96Å
116	K	45.4	Very low	52.4	Low	172 Å²	172	138.1 Å²	138.1	75%	0.748	64%	0.64	S	S	*	*	H	α-helix	trans	-72.7	-40.9	179.6	-83.5	-179.4	173.4	176.4	0	112.2	E119 D120	K116-E119 PolarHBondContact O-N 3.47Å; K116-D120 PolarHBondContact O-N 3.04Å; K116-D120 VanDerWaalsContact O-N 3.1Å
117	D	52.3	Low	51.1	Low	91 Å²	91	139.9 Å²	139.9	49%	0.487	64%	0.643	S	S	.	*	H	α-helix	trans	-72.4	-34.1	-177.7	-109.6	-16.8	0	0	0	113.3	D120 I121	D117-D120 PolarHBondContact O-N 2.86Å; D117-I121 WeakPolarHBondContact O-CB 3.33Å; D117-I121 WeakPolarHBondContact O-CD1 3.2Å; D117-I121 WeakPolarHBondContact O-CG1 3.4Å; D117-I121 PolarHBondContact O-N 3.4Å
118	I	49.8	Very low	50.3	Low	100 Å²	100	132.3 Å²	132.3	51%	0.513	62%	0.618	S	S	.	*	H	α-helix	trans	-69.4	-38.4	177.5	-66.7	178.4	0	0	0	110.8	E114 I121 K122	E114-I118 HydrophobicContact CG-CD1 4.28Å; E114-I118 VanDerWaalsContact O-CD1 3.31Å; E114-I118 WeakPolarHBondContact O-CD1 3.36Å; E114-I118 VanDerWaalsContact O-CG1 3.28Å; E114-I118 WeakPolarHBondContact O-CG1 3.31Å; I118-I121 PolarHBondContact O-N 2.93Å; I118-K122 WeakPolarHBondContact O-CB 3.2Å; I118-K122 PolarHBondContact O-N 3.39Å
119	E	47.8	Very low	49.3	Very low	109 Å²	109	126 Å²	126	51%	0.509	60%	0.598	S	S	.	*	H	α-helix	trans	-68.8	-36.2	177	-141.8	172.2	-158.4	0	0	111.4	K116 K122 K123	K116-E119 PolarHBondContact O-N 3.47Å; E119-K122 PolarHBondContact O-N 2.99Å; E119-K123 WeakPolarHBondContact O-CB 3.31Å; E119-K123 PolarHBondContact O-N 3.02Å
120	D	45.9	Very low	49.3	Very low	89 Å²	89	126.5 Å²	126.5	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-72.4	-35.7	172.9	-79.6	-29.4	0	0	0	113.1	K116 D117 K122 K123 Q124	K116-D120 PolarHBondContact O-N 3.04Å; K116-D120 VanDerWaalsContact O-N 3.1Å; D117-D120 PolarHBondContact O-N 2.86Å; D120-K122 VanDerWaalsContact C-N 3.3Å; D120-K122 PolarHBondContact O-N 3.2Å; D120-K123 CarbonylContact O-C 3.59Å; D120-K123 PolarHBondContact O-N 3.41Å; D120-Q124 WeakPolarHBondContact O-CA 3.44Å; D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 PolarHBondContact O-N 3.03Å
121	I	51.4	Low	50	Low	83 Å²	83	123.4 Å²	123.4	43%	0.426	59%	0.593	S	S	.	*	H	α-helix	trans	-66.8	-32.4	171.1	-69.5	164.3	0	0	0	111.3	F106 D117 I118	F106-I121 HydrophobicContact CE2-CD1 4.25Å; F106-I121 HydrophobicContact CZ-CD1 4.17Å; D117-I121 WeakPolarHBondContact O-CB 3.33Å; D117-I121 WeakPolarHBondContact O-CD1 3.2Å; D117-I121 WeakPolarHBondContact O-CG1 3.4Å; D117-I121 PolarHBondContact O-N 3.4Å; I118-I121 PolarHBondContact O-N 2.93Å
122	K	46	Very low	50.9	Low	177 Å²	177	116.9 Å²	116.9	77%	0.77	57%	0.566	S	S	*	*	H	α-helix	trans	-75.2	-31.6	174.6	-138.7	177.7	-175.6	-174.7	0	111.9	I118 E119 D120	I118-K122 WeakPolarHBondContact O-CB 3.2Å; I118-K122 PolarHBondContact O-N 3.39Å; E119-K122 PolarHBondContact O-N 2.99Å; D120-K122 VanDerWaalsContact C-N 3.3Å; D120-K122 PolarHBondContact O-N 3.2Å
123	K	41.9	Very low	52.2	Low	160 Å²	160	109 Å²	109	70%	0.696	54%	0.536	S	S	*	.	H	α-helix	trans	-83.4	-24.4	173.9	-100.3	176.2	175.8	169.4	0	113.9	E119 D120 K125	E119-K123 WeakPolarHBondContact O-CB 3.31Å; E119-K123 PolarHBondContact O-N 3.02Å; D120-K123 CarbonylContact O-C 3.59Å; D120-K123 PolarHBondContact O-N 3.41Å; K123-K125 PolarHBondContact O-N 2.89Å
124	Q	41.2	Very low	53.8	Low	119 Å²	119	110.6 Å²	110.6	56%	0.556	53%	0.532	S	S	*	.	S	Bend	trans	-71.9	85.9	177.9	-172.2	171.2	-16	0	0	106.4	D120 V126	D120-Q124 WeakPolarHBondContact O-CA 3.44Å; D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 PolarHBondContact O-N 3.03Å; Q124-V126 PolarHBondContact O-N 3.34Å
125	K	41.4	Very low	55.3	Low	145 Å²	145	108.4 Å²	108.4	63%	0.63	52%	0.524	S	S	*	.			trans	-24.9	110.1	157.3	-93.6	-178.4	172.9	-179.8	0	106.1	S17 K123 R127	S17-K125 PolarHBondContact OG-NZ 2.52Å; K123-K125 PolarHBondContact O-N 2.89Å; K125-R127 WeakPolarHBondContact O-CA 2.88Å; K125-R127 PolarHBondContact O-N 2.91Å
126	V	49.5	Very low	57	Low	106 Å²	106	102.1 Å²	102.1	64%	0.642	50%	0.496	S	S	*	.			trans	-37.9	97	179	179.1	0	0	0	0	106.3	Q124 I128 L132	Q124-V126 PolarHBondContact O-N 3.34Å; V126-I128 VanDerWaalsContact C-N 3.28Å; V126-I128 WeakPolarHBondContact O-CG1 3.01Å; V126-I128 PolarHBondContact O-N 2.99Å; V126-L132 HydrophobicContact CG1-CD2 3.63Å
127	R	43.4	Very low	59	Low	160 Å²	160	94.7 Å²	94.7	60%	0.604	47%	0.465	S	S	*	.			trans	-78.1	100.2	-163.5	-170.5	170.1	170.2	178.3	-12.2	101.5	K125 E129	K125-R127 WeakPolarHBondContact O-CA 2.88Å; K125-R127 PolarHBondContact O-N 2.91Å; R127-E129 WeakPolarHBondContact CD-OE2 3.42Å; R127-E129 HydrophobicContact CG-CB 4.23Å; R127-E129 HydrophobicContact CG-CG 4.34Å; R127-E129 IonicContact CZ-OE1 3.38Å; R127-E129 IonicContact CZ-OE2 3.18Å; R127-E129 IonicContact NE-OE1 3.09Å; R127-E129 PolarHBondContact NE-OE1 3.37Å; R127-E129 VanDerWaalsContact NE-OE1 3.09Å; R127-E129 IonicContact NE-OE2 2.73Å; R127-E129 PolarHBondContact NE-OE2 3.27Å; R127-E129 IonicContact NH2-OE1 2.81Å; R127-E129 PolarHBondContact NH2-OE1 3.36Å; R127-E129 IonicContact NH2-OE2 3.23Å; R127-E129 PolarHBondContact NH2-OE2 3.07Å; R127-E129 PolarHBondContact O-N 2.93Å
128	I	53	Low	60.8	Low	59 Å²	59	92.4 Å²	92.4	30%	0.303	46%	0.456	S	S	.	.			trans	-66.4	78.8	178.7	-40.3	179	0	0	0	105.7	V126 W133	V126-I128 VanDerWaalsContact C-N 3.28Å; V126-I128 WeakPolarHBondContact O-CG1 3.01Å; V126-I128 PolarHBondContact O-N 2.99Å; I128-W133 VanDerWaalsContact CG2-CA 3.41Å; I128-W133 HydrophobicContact CG2-CB 3.58Å; I128-W133 HydrophobicContact CG2-CG 3.95Å
129	E	51.9	Low	62.7	Low	94 Å²	94	88.1 Å²	88.1	44%	0.439	44%	0.435	S	S	.	.			trans	-132.6	131.1	-179.6	-109.2	175.5	-166.7	0	0	107.2	R127	R127-E129 WeakPolarHBondContact CD-OE2 3.42Å; R127-E129 HydrophobicContact CG-CB 4.23Å; R127-E129 HydrophobicContact CG-CG 4.34Å; R127-E129 IonicContact CZ-OE1 3.38Å; R127-E129 IonicContact CZ-OE2 3.18Å; R127-E129 IonicContact NE-OE1 3.09Å; R127-E129 PolarHBondContact NE-OE1 3.37Å; R127-E129 VanDerWaalsContact NE-OE1 3.09Å; R127-E129 IonicContact NE-OE2 2.73Å; R127-E129 PolarHBondContact NE-OE2 3.27Å; R127-E129 IonicContact NH2-OE1 2.81Å; R127-E129 PolarHBondContact NH2-OE1 3.36Å; R127-E129 IonicContact NH2-OE2 3.23Å; R127-E129 PolarHBondContact NH2-OE2 3.07Å; R127-E129 PolarHBondContact O-N 2.93Å
130	G	67.1	Low	64.8	Low	60 Å²	60	82.9 Å²	82.9	62%	0.619	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-138.8	-178.3	0	0	0	0	0	114.3	L132 W133	G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 3.47Å; G130-W133 WeakPolarHBondContact O-CB 3.37Å; G130-W133 PolarHBondContact O-N 2.62Å; G130-W133 VanDerWaalsContact O-N 3.15Å
131	S	68.6	Low	67	Low	81 Å²	81	83.8 Å²	83.8	57%	0.566	41%	0.41	S	S	*	.	H	α-helix	trans	-56.6	-37.4	-170.9	179.5	0	0	0	0	114	W133 W134 T135	S131-W133 VanDerWaalsContact C-N 3.28Å; S131-W133 PolarHBondContact O-N 2.92Å; S131-W134 PolarHBondContact O-N 3.37Å; S131-W134 VanDerWaalsContact O-N 3.15Å; S131-T135 PolarHBondContact O-N 3.32Å; S131-T135 PolarHBondContact O-OG1 3.49Å
132	L	72.6	Confident	69.1	Low	32 Å²	32	84.1 Å²	84.1	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-29.8	-178.9	-152.7	85.4	0	0	0	113.3	V95 V126 G130 T135 Y136	V95-L132 HydrophobicContact CG2-CD1 3.9Å; V95-L132 HydrophobicContact CG2-CD2 4.46Å; V95-L132 HydrophobicContact CG2-CG 4.49Å; V126-L132 HydrophobicContact CG1-CD2 3.63Å; G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 3.47Å; L132-T135 PolarHBondContact O-OG1 2.87Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.3Å
133	W	77.8	Confident	71.4	Confident	59 Å²	59	77.1 Å²	77.1	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-40.4	175.2	-171.5	74.9	0	0	0	111.4	I128 G130 S131 T137 V217	I128-W133 VanDerWaalsContact CG2-CA 3.41Å; I128-W133 HydrophobicContact CG2-CB 3.58Å; I128-W133 HydrophobicContact CG2-CG 3.95Å; G130-W133 WeakPolarHBondContact O-CB 3.37Å; G130-W133 PolarHBondContact O-N 2.62Å; G130-W133 VanDerWaalsContact O-N 3.15Å; S131-W133 VanDerWaalsContact C-N 3.28Å; S131-W133 PolarHBondContact O-N 2.92Å; W133-T137 HydrophobicContact CH2-CG2 4.42Å; W133-T137 HydrophobicContact CZ2-CG2 4.48Å; W133-T137 WeakPolarHBondContact O-CB 3.33Å; W133-T137 PolarHBondContact O-N 3.38Å; W133-T137 PolarHBondContact O-OG1 3.31Å; W133-V217 HydrophobicContact CH2-CG2 3.85Å; W133-V217 HydrophobicContact CZ2-CG2 3.38Å
134	W	81.3	Confident	74	Confident	177 Å²	177	70.9 Å²	70.9	67%	0.67	35%	0.351	S	S	*	.	H	α-helix	trans	-68.7	-46.6	-178.4	-172.3	-107.2	0	0	0	111.6	S131 Y136 T137 S138	S131-W134 PolarHBondContact O-N 3.37Å; S131-W134 VanDerWaalsContact O-N 3.15Å; W134-Y136 VanDerWaalsContact C-N 3.31Å; W134-Y136 PolarHBondContact O-N 3.37Å; W134-T137 PolarHBondContact O-N 3.19Å; W134-S138 WeakPolarHBondContact O-CB 3.25Å; W134-S138 PolarHBondContact O-N 3.15Å
135	T	84.3	Confident	76.7	Confident	39 Å²	39	68.6 Å²	68.6	24%	0.239	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-39.7	176.3	55.5	0	0	0	0	111.7	S131 L132 S139	S131-T135 PolarHBondContact O-N 3.32Å; S131-T135 PolarHBondContact O-OG1 3.49Å; L132-T135 PolarHBondContact O-OG1 2.87Å; T135-S139 WeakPolarHBondContact O-CB 3.42Å; T135-S139 PolarHBondContact O-N 2.85Å
136	Y	84.4	Confident	79.3	Confident	33 Å²	33	64.2 Å²	64.2	13%	0.129	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-47.7	175.1	-172.2	-109	0	0	0	113.1	K22 V91 L132 W134 S139 I140 E209 L213	K22-Y136 WeakPolarHBondContact CE-OH 3.28Å; V91-Y136 HydrophobicContact CG1-CD2 4.15Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.3Å; W134-Y136 VanDerWaalsContact C-N 3.31Å; W134-Y136 PolarHBondContact O-N 3.37Å; Y136-S139 PolarHBondContact O-N 3.49Å; Y136-S139 PolarHBondContact O-OG 2.96Å; Y136-I140 HydrophobicContact CD1-CD1 3.84Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.33Å; Y136-I140 HydrophobicContact CE2-CD1 4.41Å; Y136-I140 PolarHBondContact O-N 2.81Å; Y136-I140 VanDerWaalsContact O-N 3.13Å; Y136-E209 PolarHBondContact OH-OE1 3.34Å; Y136-E209 PolarHBondContact OH-OE2 3.35Å; Y136-L213 HydrophobicContact CD1-CD1 3.85Å; Y136-L213 HydrophobicContact CE1-CD1 3.79Å
137	T	87	Confident	81.5	Confident	16 Å²	16	59.3 Å²	59.3	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-42.4	-179.3	-55.9	0	0	0	0	111	W133 W134 S139 I140 F141 L210	W133-T137 HydrophobicContact CH2-CG2 4.42Å; W133-T137 HydrophobicContact CZ2-CG2 4.48Å; W133-T137 WeakPolarHBondContact O-CB 3.33Å; W133-T137 PolarHBondContact O-N 3.38Å; W133-T137 PolarHBondContact O-OG1 3.31Å; W134-T137 PolarHBondContact O-N 3.19Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.2Å; T137-I140 PolarHBondContact O-N 3.43Å; T137-F141 PolarHBondContact O-N 2.94Å; T137-L210 HydrophobicContact CG2-CD1 3.78Å
138	S	89.7	Confident	84.1	Confident	42 Å²	42	53.4 Å²	53.4	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-41.4	174.5	-176.9	0	0	0	0	111.6	W134 I140 F141 F142	W134-S138 WeakPolarHBondContact O-CB 3.25Å; W134-S138 PolarHBondContact O-N 3.15Å; S138-I140 PolarHBondContact O-N 3.49Å; S138-F141 WeakPolarHBondContact O-CB 3.38Å; S138-F141 PolarHBondContact O-N 2.86Å; S138-F142 WeakPolarHBondContact O-CD2 3.33Å; S138-F142 PolarHBondContact O-N 3.38Å; S138-F142 WeakPolarHBondContact OG-CE2 3.24Å
139	S	90.9	Very high	86.2	Confident	10 Å²	10	52.7 Å²	52.7	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-42	178.1	94.6	0	0	0	0	112.6	V91 T135 Y136 T137 F141 F142 R143	V91-S139 VanDerWaalsContact CG2-CB 3.45Å; T135-S139 WeakPolarHBondContact O-CB 3.42Å; T135-S139 PolarHBondContact O-N 2.85Å; Y136-S139 PolarHBondContact O-N 3.49Å; Y136-S139 PolarHBondContact O-OG 2.96Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.2Å; S139-F141 VanDerWaalsContact C-N 3.32Å; S139-F141 PolarHBondContact O-N 2.84Å; S139-F142 PolarHBondContact O-N 2.93Å; S139-R143 WeakPolarHBondContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CG 3.4Å; S139-R143 PolarHBondContact O-N 3.48Å
140	I	91.1	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-44.5	175.4	-66.9	166.5	0	0	0	110.3	Y136 T137 S138 R143 I144 N206 E209 L210 L213	Y136-I140 HydrophobicContact CD1-CD1 3.84Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.33Å; Y136-I140 HydrophobicContact CE2-CD1 4.41Å; Y136-I140 PolarHBondContact O-N 2.81Å; Y136-I140 VanDerWaalsContact O-N 3.13Å; T137-I140 PolarHBondContact O-N 3.43Å; S138-I140 PolarHBondContact O-N 3.49Å; I140-R143 PolarHBondContact O-N 2.9Å; I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 WeakPolarHBondContact O-CG1 3.31Å; I140-I144 PolarHBondContact O-N 2.93Å; I140-N206 HydrophobicContact CG2-CB 4.26Å; I140-N206 WeakPolarHBondContact CG2-O 3.29Å; I140-E209 HydrophobicContact CD1-CG 3.94Å; I140-L210 HydrophobicContact CG2-CB 3.97Å; I140-L213 HydrophobicContact CD1-CD1 3.82Å
141	F	93.3	Very high	89.7	Confident	107 Å²	107	48.9 Å²	48.9	47%	0.469	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-49.7	177.9	175.2	-104.1	0	0	0	112.1	T137 S138 S139 R143 I144 I145	T137-F141 PolarHBondContact O-N 2.94Å; S138-F141 WeakPolarHBondContact O-CB 3.38Å; S138-F141 PolarHBondContact O-N 2.86Å; S139-F141 VanDerWaalsContact C-N 3.32Å; S139-F141 PolarHBondContact O-N 2.84Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.45Å; F141-I144 PolarHBondContact O-N 3.37Å; F141-I145 HydrophobicContact CD1-CD1 3.86Å; F141-I145 HydrophobicContact CD2-CD1 4.48Å; F141-I145 HydrophobicContact CE1-CD1 3.26Å; F141-I145 HydrophobicContact CE1-CG1 4.42Å; F141-I145 HydrophobicContact CE2-CD1 3.97Å; F141-I145 HydrophobicContact CG-CD1 4.45Å; F141-I145 HydrophobicContact CZ-CD1 3.35Å; F141-I145 HydrophobicContact CZ-CG1 4.33Å; F141-I145 PolarHBondContact O-N 3.3Å
142	F	95.6	Very high	91	Very high	91 Å²	91	52.3 Å²	52.3	40%	0.399	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-36	176.5	-78.9	-64.6	0	0	0	112.9	P87 S138 S139 I145 F146	P87-F142 HydrophobicContact CG-CB 4.1Å; S138-F142 WeakPolarHBondContact O-CD2 3.33Å; S138-F142 PolarHBondContact O-N 3.38Å; S138-F142 WeakPolarHBondContact OG-CE2 3.24Å; S139-F142 PolarHBondContact O-N 2.93Å; F142-I145 PolarHBondContact O-N 2.98Å; F142-F146 HydrophobicContact CB-CD2 4.46Å; F142-F146 HydrophobicContact CB-CE2 4.13Å; F142-F146 HydrophobicContact CD1-CZ 4.46Å; F142-F146 WeakPolarHBondContact O-CD2 3.35Å; F142-F146 WeakPolarHBondContact O-CG 3.48Å; F142-F146 PolarHBondContact O-N 2.95Å
143	R	94.4	Very high	92.1	Very high	30 Å²	30	53.6 Å²	53.6	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-42.4	175.6	-71.1	169.6	73.9	-144.5	-5.8	112	P87 S139 I140 F141 F146 E147 N206	P87-R143 HydrophobicContact CB-CG 3.92Å; P87-R143 HydrophobicContact CG-CG 4Å; S139-R143 WeakPolarHBondContact O-CB 3.3Å; S139-R143 WeakPolarHBondContact O-CG 3.4Å; S139-R143 PolarHBondContact O-N 3.48Å; I140-R143 PolarHBondContact O-N 2.9Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.45Å; R143-F146 PolarHBondContact O-N 3.39Å; R143-E147 WeakPolarHBondContact O-CB 3.46Å; R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 2.98Å; R143-N206 VanDerWaalsContact CZ-OD1 3.3Å; R143-N206 PolarHBondContact NH1-OD1 3.4Å
144	I	95.4	Very high	92.9	Very high	28 Å²	28	51 Å²	51	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-44.6	175.4	-65.5	163.3	0	0	0	110.2	I140 F141 E147 A148 M203 N206 V207 L210	I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 WeakPolarHBondContact O-CG1 3.31Å; I140-I144 PolarHBondContact O-N 2.93Å; F141-I144 PolarHBondContact O-N 3.37Å; I144-E147 PolarHBondContact O-N 2.82Å; I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.38Å; I144-A148 PolarHBondContact O-N 3.47Å; I144-M203 HydrophobicContact CG2-CG 4.45Å; I144-N206 HydrophobicContact CD1-CB 4.17Å; I144-N206 HydrophobicContact CG1-CB 3.72Å; I144-V207 HydrophobicContact CD1-CG2 3.84Å; I144-V207 HydrophobicContact CG1-CG2 4.21Å; I144-V207 HydrophobicContact CG2-CG2 4.24Å; I144-L210 HydrophobicContact CD1-CB 4.39Å; I144-L210 HydrophobicContact CD1-CD2 3.88Å
145	I	97.3	Very high	93.5	Very high	71 Å²	71	48.3 Å²	48.3	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-49.5	177.3	-73.1	178.1	0	0	0	111.1	F141 F142 A148 A149	F141-I145 HydrophobicContact CD1-CD1 3.86Å; F141-I145 HydrophobicContact CD2-CD1 4.48Å; F141-I145 HydrophobicContact CE1-CD1 3.26Å; F141-I145 HydrophobicContact CE1-CG1 4.42Å; F141-I145 HydrophobicContact CE2-CD1 3.97Å; F141-I145 HydrophobicContact CG-CD1 4.45Å; F141-I145 HydrophobicContact CZ-CD1 3.35Å; F141-I145 HydrophobicContact CZ-CG1 4.33Å; F141-I145 PolarHBondContact O-N 3.3Å; F142-I145 PolarHBondContact O-N 2.98Å; I145-A148 PolarHBondContact O-N 3.18Å; I145-A149 WeakPolarHBondContact O-CB 3.43Å; I145-A149 PolarHBondContact O-N 3.36Å
146	F	97.3	Very high	94	Very high	53 Å²	53	53.2 Å²	53.2	23%	0.232	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-45.2	-179.3	-66.3	-40.4	0	0	0	111.5	F83 V84 P87 F142 R143 A148 A149 F150	F83-F146 HydrophobicContact CB-CB 4.36Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.16Å; F83-F146 HydrophobicContact CD1-CD1 4.23Å; F83-F146 HydrophobicContact CD1-CE1 4Å; F83-F146 HydrophobicContact CD1-CE2 4.38Å; F83-F146 HydrophobicContact CD1-CZ 4.09Å; F83-F146 VanDerWaalsContact O-CD2 3.27Å; F83-F146 WeakPolarHBondContact O-CD2 3.25Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; P87-F146 HydrophobicContact CG-CD2 4.18Å; P87-F146 HydrophobicContact CG-CE2 3.98Å; F142-F146 HydrophobicContact CB-CD2 4.46Å; F142-F146 HydrophobicContact CB-CE2 4.13Å; F142-F146 HydrophobicContact CD1-CZ 4.46Å; F142-F146 WeakPolarHBondContact O-CD2 3.35Å; F142-F146 WeakPolarHBondContact O-CG 3.48Å; F142-F146 PolarHBondContact O-N 2.95Å; R143-F146 PolarHBondContact O-N 3.39Å; F146-A148 PolarHBondContact O-N 3.37Å; F146-A149 PolarHBondContact O-N 2.95Å; F146-F150 VanDerWaalsContact O-CD2 3.29Å; F146-F150 WeakPolarHBondContact O-CD2 3.4Å; F146-F150 PolarHBondContact O-N 2.89Å
147	E	96.4	Very high	94.4	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-50.5	174.1	-79.1	-71.2	-175.7	0	0	112	R32 Q80 V84 R143 I144 M151	R32-E147 IonicContact CZ-OE1 3.84Å; R32-E147 IonicContact NH1-OE1 2.67Å; R32-E147 PolarHBondContact NH1-OE1 3.43Å; R32-E147 IonicContact NH1-OE2 3.45Å; R32-E147 PolarHBondContact NH1-OE2 2.86Å; Q80-E147 PolarHBondContact NE2-OE2 3.4Å; V84-E147 HydrophobicContact CG1-CG 4.24Å; V84-E147 HydrophobicContact CG2-CG 3.72Å; R143-E147 WeakPolarHBondContact O-CB 3.46Å; R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 2.98Å; I144-E147 PolarHBondContact O-N 2.82Å; E147-M151 VanDerWaalsContact O-CB 3.3Å; E147-M151 WeakPolarHBondContact O-CB 3.34Å; E147-M151 PolarHBondContact O-N 3.01Å
148	A	97.1	Very high	94.6	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-41.7	-179.4	0	0	0	0	0	112.5	I144 I145 F146 M151 Y152 M203	I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.38Å; I144-A148 PolarHBondContact O-N 3.47Å; I145-A148 PolarHBondContact O-N 3.18Å; F146-A148 PolarHBondContact O-N 3.37Å; A148-M151 PolarHBondContact O-N 3.26Å; A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.48Å; A148-Y152 PolarHBondContact O-N 3.29Å; A148-M203 HydrophobicContact CB-SD 4.23Å
149	A	97.3	Very high	94.5	Very high	44 Å²	44	60.3 Å²	60.3	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-47.1	-180	0	0	0	0	0	111.7	I145 F146 Y152 V153	I145-A149 WeakPolarHBondContact O-CB 3.43Å; I145-A149 PolarHBondContact O-N 3.36Å; F146-A149 PolarHBondContact O-N 2.95Å; A149-Y152 PolarHBondContact O-N 3.4Å; A149-V153 WeakPolarHBondContact O-CB 3.48Å; A149-V153 VanDerWaalsContact O-CG2 3.28Å; A149-V153 WeakPolarHBondContact O-CG2 3.48Å; A149-V153 PolarHBondContact O-N 2.91Å
150	F	97	Very high	94.4	Very high	34 Å²	34	60.3 Å²	60.3	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-40.3	176.8	-84.9	-79.8	0	0	0	111.9	L79 Q80 F83 F146 Y152 V153 F154	L79-F150 HydrophobicContact CB-CE1 3.77Å; L79-F150 HydrophobicContact CB-CZ 3.98Å; Q80-F150 HydrophobicContact CB-CB 3.85Å; Q80-F150 HydrophobicContact CB-CD1 3.81Å; Q80-F150 HydrophobicContact CB-CD2 4Å; Q80-F150 HydrophobicContact CB-CE1 4.36Å; Q80-F150 HydrophobicContact CB-CG 3.61Å; Q80-F150 HydrophobicContact CG-CB 3.61Å; Q80-F150 HydrophobicContact CG-CD1 4.5Å; Q80-F150 HydrophobicContact CG-CD2 4.07Å; Q80-F150 HydrophobicContact CG-CG 3.82Å; F83-F150 HydrophobicContact CB-CE2 3.68Å; F83-F150 HydrophobicContact CB-CZ 4.33Å; F83-F150 AromaticContact CD2-CE2 3.93Å; F83-F150 HydrophobicContact CD2-CE2 3.93Å; F83-F150 AromaticContact CD2-CZ 3.73Å; F83-F150 HydrophobicContact CD2-CZ 3.73Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.82Å; F83-F150 HydrophobicContact CG-CE2 3.82Å; F83-F150 HydrophobicContact CG-CZ 4.12Å; F146-F150 VanDerWaalsContact O-CD2 3.29Å; F146-F150 WeakPolarHBondContact O-CD2 3.4Å; F146-F150 PolarHBondContact O-N 2.89Å; F150-Y152 VanDerWaalsContact C-N 3.32Å; F150-Y152 PolarHBondContact O-N 2.92Å; F150-V153 PolarHBondContact O-N 2.74Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.32Å; F150-F154 PolarHBondContact O-N 3.31Å
151	M	95.4	Very high	94.3	Very high	39 Å²	39	64 Å²	64	19%	0.192	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-40.4	175	-172.3	173.5	67.5	0	0	111.9	E147 A148 Y155 V200 M203	E147-M151 VanDerWaalsContact O-CB 3.3Å; E147-M151 WeakPolarHBondContact O-CB 3.34Å; E147-M151 PolarHBondContact O-N 3.01Å; A148-M151 PolarHBondContact O-N 3.26Å; M151-Y155 PolarHBondContact O-N 3.47Å; M151-V200 HydrophobicContact SD-CG2 3.82Å; M151-M203 HydrophobicContact CE-CE 3.93Å; M151-M203 HydrophobicContact CE-SD 4.4Å
152	Y	95.8	Very high	94.1	Very high	153 Å²	153	65.6 Å²	65.6	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-48.7	175.6	176.7	-99.8	0	0	0	112.2	A148 A149 F150 F154 Y155 F156	A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.48Å; A148-Y152 PolarHBondContact O-N 3.29Å; A149-Y152 PolarHBondContact O-N 3.4Å; F150-Y152 VanDerWaalsContact C-N 3.32Å; F150-Y152 PolarHBondContact O-N 2.92Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 3.22Å; Y152-Y155 PolarHBondContact O-N 3.15Å; Y152-F156 PolarHBondContact O-N 3.01Å
153	V	95.4	Very high	93.8	Very high	60 Å²	60	62.4 Å²	62.4	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.9	167.7	0	0	0	0	110.7	A149 F150 F156 L157	A149-V153 WeakPolarHBondContact O-CB 3.48Å; A149-V153 VanDerWaalsContact O-CG2 3.28Å; A149-V153 WeakPolarHBondContact O-CG2 3.48Å; A149-V153 PolarHBondContact O-N 2.91Å; F150-V153 PolarHBondContact O-N 2.74Å; V153-F156 PolarHBondContact O-N 3.01Å; V153-L157 HydrophobicContact CG1-CD1 3.55Å; V153-L157 HydrophobicContact CG1-CG 4.15Å; V153-L157 WeakPolarHBondContact O-CB 3.14Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 3.07Å
154	F	95	Very high	93.7	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-50.3	176.9	-171.1	-81.2	0	0	0	111.7	H73 W77 F150 Y152 F156 L157 Y158 Y161 T192 I196	H73-F154 HydrophobicContact CB-CE2 4.24Å; H73-F154 AromaticContact CD2-CE2 3.51Å; H73-F154 AromaticContact CD2-CZ 3.39Å; H73-F154 WeakPolarHBondContact CD2-CZ 3.39Å; W77-F154 HydrophobicContact CD2-CE2 4.47Å; W77-F154 AromaticContact CE2-CE2 3.47Å; W77-F154 VanDerWaalsContact CE2-CE2 3.47Å; W77-F154 HydrophobicContact CH2-CD2 4.37Å; W77-F154 HydrophobicContact CH2-CE2 4.39Å; W77-F154 HydrophobicContact CZ2-CD1 4.49Å; W77-F154 AromaticContact CZ2-CD2 3.79Å; W77-F154 HydrophobicContact CZ2-CD2 3.79Å; W77-F154 HydrophobicContact CZ2-CE1 4.19Å; W77-F154 AromaticContact CZ2-CE2 3.41Å; W77-F154 HydrophobicContact CZ2-CE2 3.41Å; W77-F154 VanDerWaalsContact CZ2-CE2 3.41Å; W77-F154 HydrophobicContact CZ2-CG 4.32Å; W77-F154 AromaticContact CZ2-CZ 3.64Å; W77-F154 HydrophobicContact CZ2-CZ 3.64Å; W77-F154 AromaticContact NE1-CE2 3.42Å; W77-F154 AromaticContact NE1-CZ 3.95Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.32Å; F150-F154 PolarHBondContact O-N 3.31Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 3.22Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 2.75Å; F154-L157 PolarHBondContact O-N 2.88Å; F154-Y158 AromaticContact CD1-CD2 3.99Å; F154-Y158 HydrophobicContact CD1-CD2 3.99Å; F154-Y158 AromaticContact CD2-CD2 3.89Å; F154-Y158 HydrophobicContact CD2-CD2 3.89Å; F154-Y158 AromaticContact CD2-CE2 3.64Å; F154-Y158 HydrophobicContact CD2-CE2 3.64Å; F154-Y158 AromaticContact CE1-CD2 3.97Å; F154-Y158 HydrophobicContact CE1-CD2 3.97Å; F154-Y158 AromaticContact CE2-CD2 3.89Å; F154-Y158 HydrophobicContact CE2-CD2 3.89Å; F154-Y158 AromaticContact CE2-CE2 3.64Å; F154-Y158 HydrophobicContact CE2-CE2 3.64Å; F154-Y158 AromaticContact CG-CD2 3.95Å; F154-Y158 HydrophobicContact CG-CD2 3.95Å; F154-Y158 HydrophobicContact CG-CE2 4.13Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CE2 4.12Å; F154-Y158 WeakPolarHBondContact O-CD2 3.34Å; F154-Y158 PolarHBondContact O-N 3.48Å; F154-Y161 HydrophobicContact CD1-CD1 4.02Å; F154-Y161 HydrophobicContact CD1-CE1 4.19Å; F154-Y161 HydrophobicContact CE1-CD1 4.13Å; F154-T192 HydrophobicContact CE1-CG2 3.57Å; F154-T192 HydrophobicContact CZ-CG2 3.44Å; F154-T192 VanDerWaalsContact CZ-CG2 3.44Å; F154-I196 HydrophobicContact CE1-CD1 4.24Å
155	Y	94.3	Very high	93.4	Very high	122 Å²	122	70.4 Å²	70.4	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-41.9	179.3	179	-99	0	0	0	112.3	M151 Y152 N159 G160 Y161	M151-Y155 PolarHBondContact O-N 3.47Å; Y152-Y155 PolarHBondContact O-N 3.15Å; Y155-N159 PolarHBondContact O-N 3.4Å; Y155-G160 PolarHBondContact O-N 2.9Å; Y155-Y161 HydrophobicContact CD2-CD1 4.31Å; Y155-Y161 HydrophobicContact CD2-CD2 4.13Å; Y155-Y161 AromaticContact CD2-CE1 3.89Å; Y155-Y161 HydrophobicContact CD2-CE1 3.89Å; Y155-Y161 AromaticContact CD2-CE2 3.64Å; Y155-Y161 HydrophobicContact CD2-CE2 3.64Å; Y155-Y161 HydrophobicContact CD2-CG 4.46Å; Y155-Y161 AromaticContact CD2-CZ 3.54Å; Y155-Y161 HydrophobicContact CE2-CD2 4.45Å; Y155-Y161 HydrophobicContact CE2-CE2 4.1Å; Y155-Y161 HydrophobicContact CG-CE1 4.43Å
156	F	94.1	Very high	93.2	Very high	142 Å²	142	69.6 Å²	69.6	62%	0.623	34%	0.339	S	S	*	.	H	α-helix	trans	-72	-44.3	-179.2	-175.3	-95.8	0	0	0	112.7	Y152 V153 F154 Y158	Y152-F156 PolarHBondContact O-N 3.01Å; V153-F156 PolarHBondContact O-N 3.01Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 2.75Å; F156-Y158 PolarHBondContact O-N 2.94Å
157	L	92.8	Very high	93.1	Very high	65 Å²	65	68 Å²	68	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-37.3	-178.5	-79.2	174.8	0	0	0	112.8	L76 V153 F154	L76-L157 HydrophobicContact CD1-CD1 3.81Å; V153-L157 HydrophobicContact CG1-CD1 3.55Å; V153-L157 HydrophobicContact CG1-CG 4.15Å; V153-L157 WeakPolarHBondContact O-CB 3.14Å; V153-L157 WeakPolarHBondContact O-CG 3.29Å; V153-L157 PolarHBondContact O-N 3.07Å; F154-L157 PolarHBondContact O-N 2.88Å
158	Y	90.6	Very high	93.1	Very high	24 Å²	24	73.2 Å²	73.2	9%	0.094	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.2	-175.9	-55	-64.2	0	0	0	113.7	F69 V71 H73 L76 F154 F156 G160	F69-Y158 HydrophobicContact CD1-CE1 4.27Å; V71-Y158 PolarHBondContact O-OH 3.15Å; H73-Y158 WeakPolarHBondContact CA-OH 3.26Å; H73-Y158 AromaticContact CD2-CD1 3.93Å; H73-Y158 AromaticContact CD2-CD2 3.47Å; H73-Y158 VanDerWaalsContact CD2-CD2 3.47Å; H73-Y158 WeakPolarHBondContact CD2-CD2 3.35Å; H73-Y158 AromaticContact CD2-CE1 3.71Å; H73-Y158 AromaticContact CD2-CE2 3.2Å; H73-Y158 WeakPolarHBondContact CD2-CE2 3.48Å; H73-Y158 AromaticContact CD2-CG 3.82Å; H73-Y158 AromaticContact CD2-CZ 3.33Å; H73-Y158 AromaticContact CE1-CD1 3.97Å; H73-Y158 AromaticContact CE1-CE1 3.91Å; H73-Y158 AromaticContact CG-CZ 3.86Å; H73-Y158 PolarHBondContact N-OH 3.4Å; H73-Y158 AromaticContact NE2-CD1 3.37Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.37Å; H73-Y158 AromaticContact NE2-CD2 3.57Å; H73-Y158 AromaticContact NE2-CE1 3.52Å; H73-Y158 AromaticContact NE2-CE2 3.7Å; H73-Y158 AromaticContact NE2-CG 3.39Å; H73-Y158 AromaticContact NE2-CZ 3.67Å; L76-Y158 HydrophobicContact CD1-CE2 3.67Å; L76-Y158 WeakPolarHBondContact CD1-OH 3.09Å; F154-Y158 AromaticContact CD1-CD2 3.99Å; F154-Y158 HydrophobicContact CD1-CD2 3.99Å; F154-Y158 AromaticContact CD2-CD2 3.89Å; F154-Y158 HydrophobicContact CD2-CD2 3.89Å; F154-Y158 AromaticContact CD2-CE2 3.64Å; F154-Y158 HydrophobicContact CD2-CE2 3.64Å; F154-Y158 AromaticContact CE1-CD2 3.97Å; F154-Y158 HydrophobicContact CE1-CD2 3.97Å; F154-Y158 AromaticContact CE2-CD2 3.89Å; F154-Y158 HydrophobicContact CE2-CD2 3.89Å; F154-Y158 AromaticContact CE2-CE2 3.64Å; F154-Y158 HydrophobicContact CE2-CE2 3.64Å; F154-Y158 AromaticContact CG-CD2 3.95Å; F154-Y158 HydrophobicContact CG-CD2 3.95Å; F154-Y158 HydrophobicContact CG-CE2 4.13Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CE2 4.12Å; F154-Y158 WeakPolarHBondContact O-CD2 3.34Å; F154-Y158 PolarHBondContact O-N 3.48Å; F156-Y158 PolarHBondContact O-N 2.94Å; Y158-G160 PolarHBondContact O-N 2.86Å; Y158-G160 VanDerWaalsContact O-N 3.16Å
159	N	88.1	Confident	93	Very high	150 Å²	150	71.5 Å²	71.5	80%	0.802	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	38.6	-179.4	-69.8	-42.9	0	0	0	113.5	Y155	Y155-N159 PolarHBondContact O-N 3.4Å
160	G	89.4	Confident	93	Very high	11 Å²	11	72 Å²	72	11%	0.113	35%	0.35	C	S	.	.	S	Bend	trans	132.1	-165.4	-177.5	0	0	0	0	0	113.8	Y155 Y158	Y155-G160 PolarHBondContact O-N 2.9Å; Y158-G160 PolarHBondContact O-N 2.86Å; Y158-G160 VanDerWaalsContact O-N 3.16Å
161	Y	88.3	Confident	92.9	Very high	78 Å²	78	72.9 Å²	72.9	31%	0.306	36%	0.356	S	S	.	.	S	Bend	trans	-112.3	-2.2	-178.4	-57.2	-55.5	0	0	0	113.4	F154 Y155 I196	F154-Y161 HydrophobicContact CD1-CD1 4.02Å; F154-Y161 HydrophobicContact CD1-CE1 4.19Å; F154-Y161 HydrophobicContact CE1-CD1 4.13Å; Y155-Y161 HydrophobicContact CD2-CD1 4.31Å; Y155-Y161 HydrophobicContact CD2-CD2 4.13Å; Y155-Y161 AromaticContact CD2-CE1 3.89Å; Y155-Y161 HydrophobicContact CD2-CE1 3.89Å; Y155-Y161 AromaticContact CD2-CE2 3.64Å; Y155-Y161 HydrophobicContact CD2-CE2 3.64Å; Y155-Y161 HydrophobicContact CD2-CG 4.46Å; Y155-Y161 AromaticContact CD2-CZ 3.54Å; Y155-Y161 HydrophobicContact CE2-CD2 4.45Å; Y155-Y161 HydrophobicContact CE2-CE2 4.1Å; Y155-Y161 HydrophobicContact CG-CE1 4.43Å; Y161-I196 HydrophobicContact CD1-CD1 3.14Å; Y161-I196 HydrophobicContact CD1-CG1 4.21Å; Y161-I196 HydrophobicContact CE1-CD1 3.68Å; Y161-I196 HydrophobicContact CE1-CG1 4.3Å; Y161-I196 HydrophobicContact CG-CD1 3.63Å
162	H	89.9	Confident	92.9	Very high	140 Å²	140	77.7 Å²	77.7	65%	0.648	38%	0.382	S	S	*	.			trans	-109.3	131.1	179.6	-76	-77.5	0	0	0	109.6	T189	H162-T189 VanDerWaalsContact ND1-CG2 3.34Å; H162-T189 WeakPolarHBondContact ND1-CG2 3.38Å
163	L	89.3	Confident	92.9	Very high	23 Å²	23	73 Å²	73	12%	0.12	37%	0.371	C	S	.	.			trans	-91.3	119.6	177.1	-156.7	64.5	0	0	0	109.3	F69 I182 K188 T189	F69-L163 HydrophobicContact CE1-CD1 3.85Å; F69-L163 HydrophobicContact CZ-CD1 4.07Å; L163-I182 HydrophobicContact CD1-CD1 4.37Å; L163-I182 HydrophobicContact CD2-CD1 4.39Å; L163-I182 HydrophobicContact CD2-CG2 3.77Å; L163-I182 HydrophobicContact CG-CD1 4.01Å; L163-K188 HydrophobicContact CD2-CB 4.02Å; L163-K188 HydrophobicContact CD2-CD 3.85Å; L163-T189 PolarHBondContact N-OG1 3.45Å
164	P	90.9	Very high	92.9	Very high	59 Å²	59	70.7 Å²	70.7	38%	0.383	36%	0.357	S	S	.	.			trans	-69.1	157.8	179.2	30.3	-35.2	0	0	0	110.7	L167 I182	P164-L167 HydrophobicContact CG-CD2 3.68Å; P164-I182 WeakPolarHBondContact O-CD1 3.39Å
165	W	89.3	Confident	92.9	Very high	167 Å²	167	74.1 Å²	74.1	63%	0.633	38%	0.38	S	S	*	.	S	Bend	trans	-75.1	-31.6	177.7	-51.9	83.8	0	0	0	112.4	I182 P185 T186	W165-I182 PolarHBondContact O-N 3.41Å; W165-P185 HydrophobicContact CD2-CG 3.84Å; W165-P185 HydrophobicContact CE3-CG 3.31Å; W165-P185 HydrophobicContact CG-CG 4.42Å; W165-P185 HydrophobicContact CZ3-CG 3.8Å; W165-T186 HydrophobicContact CH2-CG2 3.14Å; W165-T186 HydrophobicContact CZ2-CG2 3.39Å; W165-T186 HydrophobicContact CZ3-CG2 3.95Å
166	V	93.8	Very high	92.9	Very high	55 Å²	55	74.5 Å²	74.5	33%	0.333	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.3	-175.7	-176	0	0	0	0	109.5	D179 C180 F181	V166-D179 HydrophobicContact CG1-CB 4.09Å; V166-C180 CarbonylContact C-O 3.56Å; V166-C180 WeakPolarHBondContact CA-O 3.47Å; V166-F181 HydrophobicContact CG2-CD1 3.77Å; V166-F181 HydrophobicContact CG2-CE1 3.57Å
167	L	94.4	Very high	93	Very high	19 Å²	19	73.1 Å²	73.1	10%	0.099	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.1	171.2	-65.2	171.4	0	0	0	109.3	F51 F68 F69 P164 C180 I182	F51-L167 HydrophobicContact CE2-CD1 4.16Å; F68-L167 HydrophobicContact CB-CD1 3.66Å; F68-L167 HydrophobicContact CD1-CD1 4Å; F68-L167 HydrophobicContact CD1-CD2 3.86Å; F68-L167 HydrophobicContact CD1-CG 4.35Å; F68-L167 HydrophobicContact CD2-CB 4.09Å; F68-L167 HydrophobicContact CD2-CD1 3.75Å; F68-L167 HydrophobicContact CD2-CG 4.43Å; F68-L167 HydrophobicContact CE1-CB 4.34Å; F68-L167 HydrophobicContact CE1-CD2 4.02Å; F68-L167 HydrophobicContact CE2-CB 3.93Å; F68-L167 HydrophobicContact CE2-CD1 4.42Å; F68-L167 HydrophobicContact CG-CB 4.41Å; F68-L167 HydrophobicContact CG-CD1 3.53Å; F68-L167 HydrophobicContact CG-CD2 4.28Å; F68-L167 HydrophobicContact CG-CG 4.3Å; F68-L167 HydrophobicContact CZ-CB 4.07Å; F69-L167 HydrophobicContact CE2-CD1 3.87Å; F69-L167 HydrophobicContact CZ-CD1 4.18Å; P164-L167 HydrophobicContact CG-CD2 3.68Å; L167-C180 HydrophobicContact CB-CB 4.46Å; L167-C180 PolarHBondContact N-O 3.28Å; L167-C180 PolarHBondContact O-N 3Å; L167-I182 HydrophobicContact CD1-CD1 3.48Å; L167-I182 VanDerWaalsContact CD1-CD1 3.48Å; L167-I182 HydrophobicContact CD1-CG1 3.8Å; L167-I182 HydrophobicContact CD2-CD1 4.28Å; L167-I182 HydrophobicContact CG-CD1 3.66Å; L167-I182 HydrophobicContact CG-CG1 4.26Å
168	K	96.1	Very high	93.2	Very high	113 Å²	113	70.6 Å²	70.6	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.9	178.9	-63.5	-66.2	-172.1	166.7	0	108.9	F68 L177 D179	F68-K168 WeakPolarHBondContact CZ-O 3.34Å; K168-L177 HydrophobicContact CB-CD1 4.04Å; K168-L177 HydrophobicContact CB-CD2 4.16Å; K168-L177 HydrophobicContact CB-CG 4.17Å; K168-L177 HydrophobicContact CD-CD2 4.34Å; K168-D179 WeakPolarHBondContact CD-OD1 3.34Å; K168-D179 VanDerWaalsContact CE-OD1 3.26Å; K168-D179 WeakPolarHBondContact CE-OD1 3.42Å; K168-D179 IonicContact NZ-OD1 2.64Å; K168-D179 PolarHBondContact NZ-OD1 2.58Å; K168-D179 IonicContact NZ-OD2 2.87Å; K168-D179 PolarHBondContact NZ-OD2 3.3Å
169	C	96.8	Very high	93.5	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.007	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.4	-174.5	-170.9	0	0	0	0	111.8	C64 F68 L177 V178	C64-C169 VanDerWaalsContact CA-SG 3.51Å; C64-C169 HydrophobicContact CB-CB 3.79Å; C64-C169 WeakPolarHBondContact CB-SG 3.36Å; C64-C169 WeakPolarHBondContact SG-CB 3.1Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 3.05Å; F68-C169 HydrophobicContact CE2-CB 3.8Å; C169-L177 CarbonylContact O-C 3.44Å; C169-L177 WeakPolarHBondContact O-CA 3.36Å; C169-V178 HydrophobicContact CB-CG2 3.93Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 2.88Å
170	G	95.8	Very high	93.9	Very high	55 Å²	55	64.6 Å²	64.6	57%	0.567	35%	0.345	S	S	*	.			trans	-134.8	38.6	178.8	0	0	0	0	0	113.1
171	I	95.5	Very high	94.2	Very high	51 Å²	51	68.5 Å²	68.5	26%	0.262	36%	0.359	S	S	.	.			trans	-102.4	141.9	-172.4	-59.2	166.3	0	0	0	109.5	V63 H67 C174	V63-I171 HydrophobicContact CB-CG2 4.46Å; V63-I171 HydrophobicContact CG2-CG2 4.37Å; H67-I171 HydrophobicContact CB-CD1 3.22Å; H67-I171 WeakPolarHBondContact CD2-CD1 3.21Å; H67-I171 WeakPolarHBondContact ND1-CD1 3.41Å; I171-C174 WeakPolarHBondContact O-CB 3.33Å; I171-C174 PolarHBondContact O-N 3.45Å; I171-C174 PolarHBondContact O-SG 3.02Å
172	D	94.9	Very high	94.4	Very high	140 Å²	140	65.4 Å²	65.4	75%	0.749	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	132.2	174.7	-65.5	-46.5	0	0	0	111.3
173	P	95.8	Very high	94.5	Very high	55 Å²	55	59.4 Å²	59.4	36%	0.357	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	cis	-97.5	22.5	15.6	38.6	-37.3	0	0	0	115	Q57	Q57-P173 VanDerWaalsContact CG-O 3.25Å; Q57-P173 WeakPolarHBondContact CG-O 3.33Å
174	C	96.3	Very high	94.6	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.074	33%	0.331	C	S	.	.			trans	-66.2	134.2	-178.5	-56	0	0	0	0	111.4	C60 C64 I171 N176 V178	C60-C174 VanDerWaalsContact CA-SG 3.59Å; C60-C174 HydrophobicContact CB-CB 4.13Å; C60-C174 WeakPolarHBondContact CB-SG 3.43Å; C60-C174 WeakPolarHBondContact SG-CB 3.28Å; C60-C174 CovalentContact SG-SG 2.04Å; C60-C174 PolarHBondContact SG-SG 2.91Å; C64-C174 PolarHBondContact SG-SG 3.33Å; I171-C174 WeakPolarHBondContact O-CB 3.33Å; I171-C174 PolarHBondContact O-N 3.45Å; I171-C174 PolarHBondContact O-SG 3.02Å; C174-N176 VanDerWaalsContact C-N 3.29Å; C174-N176 PolarHBondContact O-N 3.43Å; C174-V178 HydrophobicContact CB-CG2 4.47Å
175	P	94.1	Very high	94.7	Very high	76 Å²	76	60 Å²	60	49%	0.494	32%	0.316	S	S	.	.	S	Bend	trans	-69.6	-25.8	-170.4	26.7	-35.1	0	0	0	113.9
176	N	94.1	Very high	94.9	Very high	129 Å²	129	55.6 Å²	55.6	69%	0.69	31%	0.308	S	S	*	.	S	Bend	trans	-159.2	-167.5	179	-74.9	-64	0	0	0	108	C174 V178	C174-N176 VanDerWaalsContact C-N 3.29Å; C174-N176 PolarHBondContact O-N 3.43Å; N176-V178 PolarHBondContact O-N 3.24Å
177	L	96.4	Very high	94.9	Very high	114 Å²	114	56.5 Å²	56.5	60%	0.597	31%	0.308	S	S	*	.			trans	-66.1	115.5	166.9	-163.7	74.9	0	0	0	110.5	K168 C169	K168-L177 HydrophobicContact CB-CD1 4.04Å; K168-L177 HydrophobicContact CB-CD2 4.16Å; K168-L177 HydrophobicContact CB-CG 4.17Å; K168-L177 HydrophobicContact CD-CD2 4.34Å; C169-L177 CarbonylContact O-C 3.44Å; C169-L177 WeakPolarHBondContact O-CA 3.36Å
178	V	97	Very high	94.8	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.6	178.8	-58.9	0	0	0	0	111.3	T55 C169 C174 N176	T55-V178 HydrophobicContact CG2-CG1 4.38Å; C169-V178 HydrophobicContact CB-CG2 3.93Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 2.88Å; C174-V178 HydrophobicContact CB-CG2 4.47Å; N176-V178 PolarHBondContact O-N 3.24Å
179	D	97.1	Very high	94.7	Very high	48 Å²	48	51.1 Å²	51.1	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.7	177.7	-70.2	4.9	0	0	0	109.4	C53 N54 V166 K168 F181	C53-D179 CarbonylContact C-O 3.53Å; C53-D179 WeakPolarHBondContact CA-O 3.49Å; N54-D179 PolarHBondContact N-O 3.17Å; V166-D179 HydrophobicContact CG1-CB 4.09Å; K168-D179 WeakPolarHBondContact CD-OD1 3.34Å; K168-D179 VanDerWaalsContact CE-OD1 3.26Å; K168-D179 WeakPolarHBondContact CE-OD1 3.42Å; K168-D179 IonicContact NZ-OD1 2.64Å; K168-D179 PolarHBondContact NZ-OD1 2.58Å; K168-D179 IonicContact NZ-OD2 2.87Å; K168-D179 PolarHBondContact NZ-OD2 3.3Å; D179-F181 HydrophobicContact CB-CE2 4.24Å; D179-F181 HydrophobicContact CB-CZ 4.31Å
180	C	96.4	Very high	94.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.2	175.5	-58.1	0	0	0	0	110.8	F51 V52 C53 V166 L167	F51-C180 HydrophobicContact CE1-CB 4.01Å; F51-C180 HydrophobicContact CE2-CB 3.87Å; F51-C180 HydrophobicContact CZ-CB 3.37Å; V52-C180 CarbonylContact O-C 3.48Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.2Å; C53-C180 HydrophobicContact CB-CB 4.11Å; C53-C180 WeakPolarHBondContact CB-SG 3.37Å; C53-C180 WeakPolarHBondContact SG-CB 3.05Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.7Å; V166-C180 CarbonylContact C-O 3.56Å; V166-C180 WeakPolarHBondContact CA-O 3.47Å; L167-C180 HydrophobicContact CB-CB 4.46Å; L167-C180 PolarHBondContact N-O 3.28Å; L167-C180 PolarHBondContact O-N 3Å
181	F	95.4	Very high	94.6	Very high	94 Å²	94	53.8 Å²	53.8	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.6	-175.6	-58.9	-88.9	0	0	0	109.4	F51 V52 V166 D179	F51-F181 WeakPolarHBondContact CD2-O 3.3Å; V52-F181 PolarHBondContact N-O 2.96Å; V52-F181 PolarHBondContact O-N 2.99Å; V166-F181 HydrophobicContact CG2-CD1 3.77Å; V166-F181 HydrophobicContact CG2-CE1 3.57Å; D179-F181 HydrophobicContact CB-CE2 4.24Å; D179-F181 HydrophobicContact CB-CZ 4.31Å
182	I	93.1	Very high	94.5	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	28%	0.276	C	S	.	.			trans	-91.8	136.7	179.1	-63	154.8	0	0	0	109.2	F51 F69 L163 P164 W165 L167 P185 K188	F51-I182 HydrophobicContact CD2-CG1 4.29Å; F51-I182 HydrophobicContact CE2-CG1 4.08Å; F69-I182 HydrophobicContact CE2-CD1 4.28Å; F69-I182 HydrophobicContact CE2-CG1 4.06Å; F69-I182 HydrophobicContact CZ-CD1 3.77Å; F69-I182 HydrophobicContact CZ-CG1 3.95Å; F69-I182 HydrophobicContact CZ-CG2 4.47Å; L163-I182 HydrophobicContact CD1-CD1 4.37Å; L163-I182 HydrophobicContact CD2-CD1 4.39Å; L163-I182 HydrophobicContact CD2-CG2 3.77Å; L163-I182 HydrophobicContact CG-CD1 4.01Å; P164-I182 WeakPolarHBondContact O-CD1 3.39Å; W165-I182 PolarHBondContact O-N 3.41Å; L167-I182 HydrophobicContact CD1-CD1 3.48Å; L167-I182 VanDerWaalsContact CD1-CD1 3.48Å; L167-I182 HydrophobicContact CD1-CG1 3.8Å; L167-I182 HydrophobicContact CD2-CD1 4.28Å; L167-I182 HydrophobicContact CG-CD1 3.66Å; L167-I182 HydrophobicContact CG-CG1 4.26Å; I182-P185 WeakPolarHBondContact O-CD 3.26Å; I182-K188 HydrophobicContact CG2-CD 4.43Å
183	S	91.8	Very high	94.5	Very high	15 Å²	15	48.6 Å²	48.6	11%	0.105	26%	0.259	C	S	.	.	S	Bend	trans	-70.1	134.9	172.7	-176.4	0	0	0	0	112.2	D50 K188	D50-S183 WeakPolarHBondContact CB-OG 3.15Å; D50-S183 PolarHBondContact OD2-OG 3.41Å; S183-K188 WeakPolarHBondContact O-CD 3.36Å; S183-K188 VanDerWaalsContact O-CE 3.29Å; S183-K188 WeakPolarHBondContact O-CE 3.31Å; S183-K188 PolarHBondContact O-NZ 2.67Å
184	R	92.4	Very high	94.4	Very high	84 Å²	84	50.9 Å²	50.9	32%	0.317	26%	0.264	S	S	.	.	S	Bend	trans	48.3	51	173.9	-63.5	176.3	-92.7	-89.6	-7.2	114	D46 D50 T186 E187 K188	D46-R184 IonicContact OD2-NH2 3.86Å; D50-R184 IonicContact OD2-CZ 3.62Å; D50-R184 IonicContact OD2-NH1 3.82Å; D50-R184 IonicContact OD2-NH2 2.81Å; D50-R184 PolarHBondContact OD2-NH2 2.84Å; R184-T186 VanDerWaalsContact C-N 3.35Å; R184-T186 PolarHBondContact O-N 2.83Å; R184-E187 HydrophobicContact CB-CB 4.16Å; R184-E187 VanDerWaalsContact CD-OE2 3.29Å; R184-E187 WeakPolarHBondContact CD-OE2 3.28Å; R184-E187 PolarHBondContact O-N 3.32Å; R184-K188 WeakPolarHBondContact O-CB 3.33Å; R184-K188 WeakPolarHBondContact O-CG 2.97Å; R184-K188 PolarHBondContact O-N 3.45Å
185	P	92.9	Very high	94.3	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.065	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-33.2	-171.5	28.7	-34.5	0	0	0	112.8	W165 I182 T189	W165-P185 HydrophobicContact CD2-CG 3.84Å; W165-P185 HydrophobicContact CE3-CG 3.31Å; W165-P185 HydrophobicContact CG-CG 4.42Å; W165-P185 HydrophobicContact CZ3-CG 3.8Å; I182-P185 WeakPolarHBondContact O-CD 3.26Å; P185-T189 VanDerWaalsContact O-CB 3.29Å; P185-T189 WeakPolarHBondContact O-CB 3.37Å; P185-T189 PolarHBondContact O-N 2.69Å; P185-T189 PolarHBondContact O-OG1 3.22Å
186	T	93.3	Very high	94.4	Very high	74 Å²	74	47.9 Å²	47.9	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-47.6	175	40.4	0	0	0	0	112.2	W165 R184 T189 V190	W165-T186 HydrophobicContact CH2-CG2 3.14Å; W165-T186 HydrophobicContact CZ2-CG2 3.39Å; W165-T186 HydrophobicContact CZ3-CG2 3.95Å; R184-T186 VanDerWaalsContact C-N 3.35Å; R184-T186 PolarHBondContact O-N 2.83Å; T186-T189 WeakPolarHBondContact O-CB 3.48Å; T186-T189 PolarHBondContact O-N 3.39Å; T186-V190 WeakPolarHBondContact O-CG2 3.47Å; T186-V190 PolarHBondContact O-N 3.46Å
187	E	92.9	Very high	94.4	Very high	74 Å²	74	44 Å²	44	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-48.2	177.7	-172.6	171.2	-169.9	0	0	110.8	V43 R184 T189 V190 F191	V43-E187 HydrophobicContact CG1-CB 4.43Å; V43-E187 HydrophobicContact CG1-CG 3.95Å; V43-E187 HydrophobicContact CG2-CG 3.92Å; V43-E187 VanDerWaalsContact CG2-OE1 3.3Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.48Å; R184-E187 HydrophobicContact CB-CB 4.16Å; R184-E187 VanDerWaalsContact CD-OE2 3.29Å; R184-E187 WeakPolarHBondContact CD-OE2 3.28Å; R184-E187 PolarHBondContact O-N 3.32Å; E187-T189 VanDerWaalsContact C-N 3.27Å; E187-T189 PolarHBondContact O-N 2.95Å; E187-V190 PolarHBondContact O-N 2.94Å; E187-V190 VanDerWaalsContact O-N 3.1Å; E187-F191 HydrophobicContact CG-CD2 3.82Å; E187-F191 HydrophobicContact CG-CE2 3.7Å; E187-F191 VanDerWaalsContact O-CD2 3.29Å; E187-F191 WeakPolarHBondContact O-CD2 3.26Å; E187-F191 PolarHBondContact O-N 3.24Å
188	K	93.9	Very high	94.4	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-41.9	174.3	-72.9	177.8	176.4	162	0	112.3	V43 W44 L163 I182 S183 R184 T192	V43-K188 HydrophobicContact CG1-CG 3.57Å; W44-K188 HydrophobicContact CD2-CG 4.34Å; W44-K188 HydrophobicContact CH2-CB 3.9Å; W44-K188 HydrophobicContact CH2-CG 3.91Å; W44-K188 HydrophobicContact CZ2-CB 3.66Å; W44-K188 HydrophobicContact CZ2-CD 4.25Å; W44-K188 HydrophobicContact CZ2-CG 3.58Å; W44-K188 HydrophobicContact CZ3-CG 4.4Å; L163-K188 HydrophobicContact CD2-CB 4.02Å; L163-K188 HydrophobicContact CD2-CD 3.85Å; I182-K188 HydrophobicContact CG2-CD 4.43Å; S183-K188 WeakPolarHBondContact O-CD 3.36Å; S183-K188 VanDerWaalsContact O-CE 3.29Å; S183-K188 WeakPolarHBondContact O-CE 3.31Å; S183-K188 PolarHBondContact O-NZ 2.67Å; R184-K188 WeakPolarHBondContact O-CB 3.33Å; R184-K188 WeakPolarHBondContact O-CG 2.97Å; R184-K188 PolarHBondContact O-N 3.45Å; K188-T192 VanDerWaalsContact O-CB 3.27Å; K188-T192 WeakPolarHBondContact O-CB 3.35Å; K188-T192 PolarHBondContact O-N 3.2Å; K188-T192 PolarHBondContact O-OG1 2.95Å
189	T	93.9	Very high	94.3	Very high	13 Å²	13	38.4 Å²	38.4	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-43.1	176.9	-62.5	0	0	0	0	111.7	H162 L163 P185 T186 E187 T192 I193	H162-T189 VanDerWaalsContact ND1-CG2 3.34Å; H162-T189 WeakPolarHBondContact ND1-CG2 3.38Å; L163-T189 PolarHBondContact N-OG1 3.45Å; P185-T189 VanDerWaalsContact O-CB 3.29Å; P185-T189 WeakPolarHBondContact O-CB 3.37Å; P185-T189 PolarHBondContact O-N 2.69Å; P185-T189 PolarHBondContact O-OG1 3.22Å; T186-T189 WeakPolarHBondContact O-CB 3.48Å; T186-T189 PolarHBondContact O-N 3.39Å; E187-T189 VanDerWaalsContact C-N 3.27Å; E187-T189 PolarHBondContact O-N 2.95Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 3.24Å; T189-I193 HydrophobicContact CG2-CD1 3.99Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 3.18Å
190	V	94.4	Very high	94.2	Very high	72 Å²	72	38.5 Å²	38.5	44%	0.436	20%	0.199	S	C	.	.	H	α-helix	trans	-60.7	-49.1	177.6	168	0	0	0	0	111	T186 E187 T192 I193 F194	T186-V190 WeakPolarHBondContact O-CG2 3.47Å; T186-V190 PolarHBondContact O-N 3.46Å; E187-V190 PolarHBondContact O-N 2.94Å; E187-V190 VanDerWaalsContact O-N 3.1Å; V190-T192 VanDerWaalsContact C-N 3.29Å; V190-T192 PolarHBondContact O-N 3.36Å; V190-I193 PolarHBondContact O-N 3.47Å; V190-F194 HydrophobicContact CG1-CD2 3.83Å; V190-F194 HydrophobicContact CG1-CE2 3.43Å; V190-F194 VanDerWaalsContact CG1-CE2 3.43Å; V190-F194 HydrophobicContact CG1-CZ 4.44Å; V190-F194 VanDerWaalsContact O-CD2 3.26Å; V190-F194 WeakPolarHBondContact O-CD2 3.22Å; V190-F194 PolarHBondContact O-N 2.88Å
191	F	94.2	Very high	94.1	Very high	40 Å²	40	42.7 Å²	42.7	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-39.1	175.7	-82.8	-74.1	0	0	0	112.3	I35 V38 A39 V43 W44 E187 F194 M195	I35-F191 HydrophobicContact CG2-CD1 3.74Å; I35-F191 HydrophobicContact CG2-CE1 4.24Å; V38-F191 HydrophobicContact CG1-CE1 4.47Å; V38-F191 HydrophobicContact CG1-CZ 4.34Å; A39-F191 HydrophobicContact CB-CD1 4.1Å; A39-F191 HydrophobicContact CB-CE1 4.41Å; A39-F191 HydrophobicContact CB-CG 4.37Å; V43-F191 HydrophobicContact CG1-CD2 4.45Å; V43-F191 HydrophobicContact CG2-CD2 3.83Å; V43-F191 HydrophobicContact CG2-CE2 3.49Å; V43-F191 VanDerWaalsContact CG2-CE2 3.49Å; V43-F191 HydrophobicContact CG2-CZ 4.19Å; W44-F191 HydrophobicContact CH2-CB 3.78Å; W44-F191 HydrophobicContact CZ3-CB 3.79Å; W44-F191 HydrophobicContact CZ3-CD2 4.38Å; W44-F191 HydrophobicContact CZ3-CG 4.19Å; E187-F191 HydrophobicContact CG-CD2 3.82Å; E187-F191 HydrophobicContact CG-CE2 3.7Å; E187-F191 VanDerWaalsContact O-CD2 3.29Å; E187-F191 WeakPolarHBondContact O-CD2 3.26Å; E187-F191 PolarHBondContact O-N 3.24Å; F191-F194 PolarHBondContact O-N 3.44Å; F191-M195 WeakPolarHBondContact O-CG 3.48Å; F191-M195 PolarHBondContact O-N 3.47Å
192	T	94	Very high	94	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-44.8	175.3	-65.1	0	0	0	0	111.7	W77 F154 K188 T189 V190 F194 M195 I196	W77-T192 HydrophobicContact CZ2-CG2 4.45Å; F154-T192 HydrophobicContact CE1-CG2 3.57Å; F154-T192 HydrophobicContact CZ-CG2 3.44Å; F154-T192 VanDerWaalsContact CZ-CG2 3.44Å; K188-T192 VanDerWaalsContact O-CB 3.27Å; K188-T192 WeakPolarHBondContact O-CB 3.35Å; K188-T192 PolarHBondContact O-N 3.2Å; K188-T192 PolarHBondContact O-OG1 2.95Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 3.24Å; V190-T192 VanDerWaalsContact C-N 3.29Å; V190-T192 PolarHBondContact O-N 3.36Å; T192-F194 PolarHBondContact O-N 3.33Å; T192-M195 PolarHBondContact O-N 3.03Å; T192-I196 HydrophobicContact CG2-CD1 3.53Å; T192-I196 HydrophobicContact CG2-CG1 4.37Å; T192-I196 WeakPolarHBondContact O-CD1 3.46Å; T192-I196 VanDerWaalsContact O-CG1 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.2Å; T192-I196 PolarHBondContact O-N 3.16Å
193	I	94.7	Very high	94	Very high	78 Å²	78	39.7 Å²	39.7	40%	0.4	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-42.2	176.7	-68.5	166.5	0	0	0	111.3	T189 V190 M195 I196 S197	T189-I193 HydrophobicContact CG2-CD1 3.99Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 3.18Å; V190-I193 PolarHBondContact O-N 3.47Å; I193-M195 VanDerWaalsContact C-N 3.35Å; I193-M195 PolarHBondContact O-N 2.91Å; I193-I196 PolarHBondContact O-N 3.18Å; I193-S197 VanDerWaalsContact O-CB 3.31Å; I193-S197 WeakPolarHBondContact O-CB 3.16Å; I193-S197 PolarHBondContact O-N 3.44Å; I193-S197 PolarHBondContact O-OG 3.5Å
194	F	94.8	Very high	94.1	Very high	103 Å²	103	44.1 Å²	44.1	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-42.1	175.1	-74.9	-55.5	0	0	0	112.1	I35 V190 F191 T192 S197 A198	I35-F194 HydrophobicContact CD1-CB 4.08Å; V190-F194 HydrophobicContact CG1-CD2 3.83Å; V190-F194 HydrophobicContact CG1-CE2 3.43Å; V190-F194 VanDerWaalsContact CG1-CE2 3.43Å; V190-F194 HydrophobicContact CG1-CZ 4.44Å; V190-F194 VanDerWaalsContact O-CD2 3.26Å; V190-F194 WeakPolarHBondContact O-CD2 3.22Å; V190-F194 PolarHBondContact O-N 2.88Å; F191-F194 PolarHBondContact O-N 3.44Å; T192-F194 PolarHBondContact O-N 3.33Å; F194-S197 WeakPolarHBondContact CA-OG 3.48Å; F194-S197 PolarHBondContact O-OG 3.28Å; F194-A198 VanDerWaalsContact O-CB 3.31Å; F194-A198 WeakPolarHBondContact O-CB 3.03Å; F194-A198 PolarHBondContact O-N 3Å
195	M	94.3	Very high	94.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-42.1	178.3	-71.7	-64.2	-78.9	0	0	112.6	R32 I35 L36 W77 F191 T192 I193 S199	R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CB-SD 4.36Å; R32-M195 HydrophobicContact CG-SD 4.33Å; I35-M195 HydrophobicContact CB-SD 4.01Å; I35-M195 HydrophobicContact CG2-CG 3.95Å; I35-M195 HydrophobicContact CG2-SD 3.67Å; L36-M195 HydrophobicContact CD1-CE 4.21Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 3.91Å; W77-M195 HydrophobicContact CD2-CE 3.88Å; W77-M195 HydrophobicContact CD2-CG 4.31Å; W77-M195 HydrophobicContact CE3-CB 3.96Å; W77-M195 HydrophobicContact CE3-CE 3.82Å; W77-M195 HydrophobicContact CG-CE 3.89Å; W77-M195 HydrophobicContact CH2-CB 3.8Å; W77-M195 HydrophobicContact CZ2-CB 3.7Å; W77-M195 HydrophobicContact CZ3-CB 3.9Å; F191-M195 WeakPolarHBondContact O-CG 3.48Å; F191-M195 PolarHBondContact O-N 3.47Å; T192-M195 PolarHBondContact O-N 3.03Å; I193-M195 VanDerWaalsContact C-N 3.35Å; I193-M195 PolarHBondContact O-N 2.91Å; M195-S199 WeakPolarHBondContact O-CB 2.95Å; M195-S199 PolarHBondContact O-N 3.22Å; M195-S199 PolarHBondContact O-OG 3.37Å
196	I	94.8	Very high	94	Very high	18 Å²	18	41.9 Å²	41.9	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-47.9	177.1	-65.9	159	0	0	0	110.7	W77 F154 Y161 T192 I193 A198 S199 V200	W77-I196 HydrophobicContact CH2-CG1 3.58Å; W77-I196 HydrophobicContact CZ2-CG1 3.9Å; F154-I196 HydrophobicContact CE1-CD1 4.24Å; Y161-I196 HydrophobicContact CD1-CD1 3.14Å; Y161-I196 HydrophobicContact CD1-CG1 4.21Å; Y161-I196 HydrophobicContact CE1-CD1 3.68Å; Y161-I196 HydrophobicContact CE1-CG1 4.3Å; Y161-I196 HydrophobicContact CG-CD1 3.63Å; T192-I196 HydrophobicContact CG2-CD1 3.53Å; T192-I196 HydrophobicContact CG2-CG1 4.37Å; T192-I196 WeakPolarHBondContact O-CD1 3.46Å; T192-I196 VanDerWaalsContact O-CG1 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.2Å; T192-I196 PolarHBondContact O-N 3.16Å; I193-I196 PolarHBondContact O-N 3.18Å; I196-A198 VanDerWaalsContact C-N 3.34Å; I196-A198 PolarHBondContact O-N 3.19Å; I196-S199 WeakPolarHBondContact O-CA 3.33Å; I196-S199 WeakPolarHBondContact O-CB 3.4Å; I196-S199 PolarHBondContact O-N 3.47Å; I196-V200 HydrophobicContact CG2-CG2 4.26Å; I196-V200 WeakPolarHBondContact O-CG2 3.21Å; I196-V200 PolarHBondContact O-N 3.14Å
197	S	95.6	Very high	94	Very high	49 Å²	49	41.1 Å²	41.1	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-44.3	179.5	57.5	0	0	0	0	111.8	I193 F194 S199 V200 I201	I193-S197 VanDerWaalsContact O-CB 3.31Å; I193-S197 WeakPolarHBondContact O-CB 3.16Å; I193-S197 PolarHBondContact O-N 3.44Å; I193-S197 PolarHBondContact O-OG 3.5Å; F194-S197 WeakPolarHBondContact CA-OG 3.48Å; F194-S197 PolarHBondContact O-OG 3.28Å; S197-S199 VanDerWaalsContact C-N 3.32Å; S197-S199 PolarHBondContact O-N 3.28Å; S197-V200 PolarHBondContact O-N 3.45Å; S197-I201 VanDerWaalsContact O-CG1 3.26Å; S197-I201 WeakPolarHBondContact O-CG1 3.11Å; S197-I201 PolarHBondContact O-N 3.07Å
198	A	94.8	Very high	93.9	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-39.9	173.1	0	0	0	0	0	112.4	I28 R32 F194 I196 C202	I28-A198 HydrophobicContact CG2-CB 3.88Å; R32-A198 HydrophobicContact CG-CB 3.7Å; F194-A198 VanDerWaalsContact O-CB 3.31Å; F194-A198 WeakPolarHBondContact O-CB 3.03Å; F194-A198 PolarHBondContact O-N 3Å; I196-A198 VanDerWaalsContact C-N 3.34Å; I196-A198 PolarHBondContact O-N 3.19Å; A198-C202 WeakPolarHBondContact O-CB 3.39Å; A198-C202 PolarHBondContact O-N 3.1Å; A198-C202 PolarHBondContact O-SG 3.19Å
199	S	95	Very high	93.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-44.3	176.7	-55.7	0	0	0	0	112	R32 Q80 M195 I196 S197 C202 M203	R32-S199 PolarHBondContact NH1-OG 2.89Å; R32-S199 PolarHBondContact NH2-OG 3.29Å; Q80-S199 PolarHBondContact NE2-OG 2.89Å; M195-S199 WeakPolarHBondContact O-CB 2.95Å; M195-S199 PolarHBondContact O-N 3.22Å; M195-S199 PolarHBondContact O-OG 3.37Å; I196-S199 WeakPolarHBondContact O-CA 3.33Å; I196-S199 WeakPolarHBondContact O-CB 3.4Å; I196-S199 PolarHBondContact O-N 3.47Å; S197-S199 VanDerWaalsContact C-N 3.32Å; S197-S199 PolarHBondContact O-N 3.28Å; S199-C202 WeakPolarHBondContact O-CB 3.11Å; S199-C202 PolarHBondContact O-N 2.98Å; S199-M203 WeakPolarHBondContact O-CB 3.1Å; S199-M203 PolarHBondContact O-N 3.43Å
200	V	95.5	Very high	93.3	Very high	50 Å²	50	42 Å²	42	30%	0.303	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-46.3	176.8	171.8	0	0	0	0	110.9	M151 I196 S197 C202 M203 L204	M151-V200 HydrophobicContact SD-CG2 3.82Å; I196-V200 HydrophobicContact CG2-CG2 4.26Å; I196-V200 WeakPolarHBondContact O-CG2 3.21Å; I196-V200 PolarHBondContact O-N 3.14Å; S197-V200 PolarHBondContact O-N 3.45Å; V200-C202 VanDerWaalsContact C-N 3.34Å; V200-C202 PolarHBondContact O-N 2.83Å; V200-M203 PolarHBondContact O-N 3.17Å; V200-L204 HydrophobicContact CG1-CD1 4.15Å; V200-L204 HydrophobicContact CG1-CG 4.44Å; V200-L204 WeakPolarHBondContact O-CG 3.1Å; V200-L204 PolarHBondContact O-N 3.45Å
201	I	94.9	Very high	93	Very high	87 Å²	87	41.5 Å²	41.5	45%	0.446	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-45	176.8	-64.1	165.3	0	0	0	110.2	I28 S197 M203 L204 L205	I28-I201 HydrophobicContact CD1-CB 4.36Å; I28-I201 HydrophobicContact CD1-CG2 3.52Å; S197-I201 VanDerWaalsContact O-CG1 3.26Å; S197-I201 WeakPolarHBondContact O-CG1 3.11Å; S197-I201 PolarHBondContact O-N 3.07Å; I201-M203 PolarHBondContact O-N 3.38Å; I201-L204 PolarHBondContact O-N 3.01Å; I201-L205 HydrophobicContact CG2-CD1 4.07Å; I201-L205 HydrophobicContact CG2-CG 4.43Å; I201-L205 VanDerWaalsContact O-CG 3.32Å; I201-L205 WeakPolarHBondContact O-CG 3.25Å; I201-L205 PolarHBondContact O-N 2.97Å
202	C	92.4	Very high	92.6	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.034	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-45	174.5	-87.1	0	0	0	0	112.4	I28 A198 S199 V200 L205 N206	I28-C202 WeakPolarHBondContact CG2-SG 3.33Å; A198-C202 WeakPolarHBondContact O-CB 3.39Å; A198-C202 PolarHBondContact O-N 3.1Å; A198-C202 PolarHBondContact O-SG 3.19Å; S199-C202 WeakPolarHBondContact O-CB 3.11Å; S199-C202 PolarHBondContact O-N 2.98Å; V200-C202 VanDerWaalsContact C-N 3.34Å; V200-C202 PolarHBondContact O-N 2.83Å; C202-L205 PolarHBondContact O-N 3.46Å; C202-N206 PolarHBondContact O-N 3.16Å; C202-N206 PolarHBondContact O-ND2 2.86Å
203	M	94.1	Very high	92.1	Very high	39 Å²	39	46.8 Å²	46.8	19%	0.192	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-47.1	178	-175.1	176	62.9	0	0	110.9	I144 A148 M151 S199 V200 I201 L205 N206 V207	I144-M203 HydrophobicContact CG2-CG 4.45Å; A148-M203 HydrophobicContact CB-SD 4.23Å; M151-M203 HydrophobicContact CE-CE 3.93Å; M151-M203 HydrophobicContact CE-SD 4.4Å; S199-M203 WeakPolarHBondContact O-CB 3.1Å; S199-M203 PolarHBondContact O-N 3.43Å; V200-M203 PolarHBondContact O-N 3.17Å; I201-M203 PolarHBondContact O-N 3.38Å; M203-L205 PolarHBondContact O-N 3.03Å; M203-N206 PolarHBondContact O-N 2.98Å; M203-V207 HydrophobicContact CG-CG2 4.49Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.41Å; M203-V207 PolarHBondContact O-N 3.12Å
204	L	94.1	Very high	91.6	Very high	108 Å²	108	47 Å²	47	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-60.6	-42.1	177.4	-69.6	175.2	0	0	0	112.3	V200 I201 V207 A208	V200-L204 HydrophobicContact CG1-CD1 4.15Å; V200-L204 HydrophobicContact CG1-CG 4.44Å; V200-L204 WeakPolarHBondContact O-CG 3.1Å; V200-L204 PolarHBondContact O-N 3.45Å; I201-L204 PolarHBondContact O-N 3.01Å; L204-V207 PolarHBondContact O-N 3.39Å; L204-A208 VanDerWaalsContact O-CB 3.31Å; L204-A208 WeakPolarHBondContact O-CB 3.27Å; L204-A208 PolarHBondContact O-N 3.05Å
205	L	91.7	Very high	91	Very high	46 Å²	46	47 Å²	47	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-41.9	176.3	-70.6	173.4	0	0	0	112	W24 V25 I28 I201 C202 M203 A208 E209	W24-L205 HydrophobicContact CB-CD1 3.88Å; V25-L205 HydrophobicContact CG2-CB 3.71Å; V25-L205 HydrophobicContact CG2-CD1 3.96Å; V25-L205 HydrophobicContact CG2-CG 4.49Å; I28-L205 HydrophobicContact CD1-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CD1 4.07Å; I201-L205 HydrophobicContact CG2-CG 4.43Å; I201-L205 VanDerWaalsContact O-CG 3.32Å; I201-L205 WeakPolarHBondContact O-CG 3.25Å; I201-L205 PolarHBondContact O-N 2.97Å; C202-L205 PolarHBondContact O-N 3.46Å; M203-L205 PolarHBondContact O-N 3.03Å; L205-A208 PolarHBondContact O-N 3.2Å; L205-E209 WeakPolarHBondContact O-CB 3.41Å; L205-E209 PolarHBondContact O-N 3.46Å
206	N	91.1	Very high	90.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-39.7	176	-75.2	-62	0	0	0	111.8	I140 R143 I144 C202 M203 E209 L210	I140-N206 HydrophobicContact CG2-CB 4.26Å; I140-N206 WeakPolarHBondContact CG2-O 3.29Å; R143-N206 VanDerWaalsContact CZ-OD1 3.3Å; R143-N206 PolarHBondContact NH1-OD1 3.4Å; I144-N206 HydrophobicContact CD1-CB 4.17Å; I144-N206 HydrophobicContact CG1-CB 3.72Å; C202-N206 PolarHBondContact O-N 3.16Å; C202-N206 PolarHBondContact O-ND2 2.86Å; M203-N206 PolarHBondContact O-N 2.98Å; N206-E209 PolarHBondContact O-N 2.9Å; N206-L210 WeakPolarHBondContact O-CB 3.24Å; N206-L210 PolarHBondContact O-N 2.84Å
207	V	92.4	Very high	89.8	Confident	58 Å²	58	51.6 Å²	51.6	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-46.1	174.5	169.9	0	0	0	0	110.7	I144 M203 L204 E209 L210 C211	I144-V207 HydrophobicContact CD1-CG2 3.84Å; I144-V207 HydrophobicContact CG1-CG2 4.21Å; I144-V207 HydrophobicContact CG2-CG2 4.24Å; M203-V207 HydrophobicContact CG-CG2 4.49Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.41Å; M203-V207 PolarHBondContact O-N 3.12Å; L204-V207 PolarHBondContact O-N 3.39Å; V207-E209 VanDerWaalsContact C-N 3.28Å; V207-E209 PolarHBondContact O-N 3.42Å; V207-L210 PolarHBondContact O-N 3.43Å; V207-C211 WeakPolarHBondContact O-CB 2.9Å; V207-C211 PolarHBondContact O-N 3.41Å; V207-C211 PolarHBondContact O-SG 3.08Å; V207-C211 VanDerWaalsContact O-SG 3.32Å
208	A	90.3	Very high	89.1	Confident	58 Å²	58	53 Å²	53	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-40.5	177	0	0	0	0	0	111.6	L204 L205 Y212	L204-A208 VanDerWaalsContact O-CB 3.31Å; L204-A208 WeakPolarHBondContact O-CB 3.27Å; L204-A208 PolarHBondContact O-N 3.05Å; L205-A208 PolarHBondContact O-N 3.2Å; A208-Y212 WeakPolarHBondContact O-CB 3.39Å; A208-Y212 PolarHBondContact O-N 3.39Å
209	E	88.1	Confident	88.4	Confident	23 Å²	23	59.6 Å²	59.6	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-44	175	-174.6	162.6	-165.9	0	0	112.3	K22 Y136 I140 L205 N206 V207 C211 Y212 L213	K22-E209 VanDerWaalsContact CE-OE1 3.27Å; K22-E209 WeakPolarHBondContact CE-OE1 3.46Å; K22-E209 IonicContact NZ-OE1 3.67Å; Y136-E209 PolarHBondContact OH-OE1 3.34Å; Y136-E209 PolarHBondContact OH-OE2 3.35Å; I140-E209 HydrophobicContact CD1-CG 3.94Å; L205-E209 WeakPolarHBondContact O-CB 3.41Å; L205-E209 PolarHBondContact O-N 3.46Å; N206-E209 PolarHBondContact O-N 2.9Å; V207-E209 VanDerWaalsContact C-N 3.28Å; V207-E209 PolarHBondContact O-N 3.42Å; E209-C211 PolarHBondContact O-N 3.36Å; E209-Y212 PolarHBondContact O-N 3.16Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 3.38Å
210	L	88.3	Confident	87.5	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.157	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-47.3	175.3	-175.7	60	0	0	0	111.3	T137 I140 I144 N206 V207 Y212 L213 L214	T137-L210 HydrophobicContact CG2-CD1 3.78Å; I140-L210 HydrophobicContact CG2-CB 3.97Å; I144-L210 HydrophobicContact CD1-CB 4.39Å; I144-L210 HydrophobicContact CD1-CD2 3.88Å; N206-L210 WeakPolarHBondContact O-CB 3.24Å; N206-L210 PolarHBondContact O-N 2.84Å; V207-L210 PolarHBondContact O-N 3.43Å; L210-Y212 PolarHBondContact O-N 3.06Å; L210-L213 PolarHBondContact O-N 2.99Å; L210-L214 HydrophobicContact CG-CD1 4.19Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 2.97Å
211	C	87.5	Confident	86.5	Confident	62 Å²	62	72.2 Å²	72.2	42%	0.419	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-45	176.3	-72.8	0	0	0	0	111.8	V207 E209 L213 L214 L215	V207-C211 WeakPolarHBondContact O-CB 2.9Å; V207-C211 PolarHBondContact O-N 3.41Å; V207-C211 PolarHBondContact O-SG 3.08Å; V207-C211 VanDerWaalsContact O-SG 3.32Å; E209-C211 PolarHBondContact O-N 3.36Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 3.44Å; C211-L214 PolarHBondContact O-N 3.29Å; C211-L215 WeakPolarHBondContact O-CB 3.36Å; C211-L215 VanDerWaalsContact O-CG 3.29Å; C211-L215 WeakPolarHBondContact O-CG 3.49Å; C211-L215 PolarHBondContact O-N 3.42Å
212	Y	85.6	Confident	85.6	Confident	145 Å²	145	71.4 Å²	71.4	57%	0.569	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-43	176.4	173.8	-96.9	0	0	0	112.1	A208 E209 L210 K216	A208-Y212 WeakPolarHBondContact O-CB 3.39Å; A208-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 PolarHBondContact O-N 3.16Å; L210-Y212 PolarHBondContact O-N 3.06Å; Y212-K216 HydrophobicContact CE1-CD 4.33Å; Y212-K216 WeakPolarHBondContact O-CB 3.29Å; Y212-K216 PolarHBondContact O-N 3.05Å
213	L	83.7	Confident	84.6	Confident	11 Å²	11	78.4 Å²	78.4	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-43.9	177.4	-67.4	173.8	0	0	0	112.2	Y136 I140 E209 L210 C211 K216 V217	Y136-L213 HydrophobicContact CD1-CD1 3.85Å; Y136-L213 HydrophobicContact CE1-CD1 3.79Å; I140-L213 HydrophobicContact CD1-CD1 3.82Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 3.38Å; L210-L213 PolarHBondContact O-N 2.99Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 3.44Å; L213-K216 PolarHBondContact O-N 2.84Å; L213-V217 WeakPolarHBondContact O-CG2 3.26Å; L213-V217 PolarHBondContact O-N 3.45Å
214	L	83.6	Confident	83.3	Confident	84 Å²	84	86 Å²	86	44%	0.44	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-47.8	178.3	-69.8	174.5	0	0	0	111.4	L210 C211 K216 V217 C218	L210-L214 HydrophobicContact CG-CD1 4.19Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 2.97Å; C211-L214 PolarHBondContact O-N 3.29Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.37Å; L214-V217 PolarHBondContact O-N 2.93Å; L214-V217 VanDerWaalsContact O-N 3.12Å; L214-C218 PolarHBondContact O-N 2.95Å; L214-C218 PolarHBondContact O-SG 3.37Å; L214-C218 VanDerWaalsContact O-SG 3.37Å
215	L	83.9	Confident	82	Confident	102 Å²	102	83.6 Å²	83.6	53%	0.534	41%	0.413	S	S	.	.	H	α-helix	trans	-57.5	-45.8	176	-71.5	173.6	0	0	0	111.1	C211 V217 C218 F219	C211-L215 WeakPolarHBondContact O-CB 3.36Å; C211-L215 VanDerWaalsContact O-CG 3.29Å; C211-L215 WeakPolarHBondContact O-CG 3.49Å; C211-L215 PolarHBondContact O-N 3.42Å; L215-V217 VanDerWaalsContact C-N 3.29Å; L215-V217 PolarHBondContact O-N 3.31Å; L215-C218 PolarHBondContact O-N 3.32Å; L215-F219 HydrophobicContact CB-CD2 4.43Å; L215-F219 HydrophobicContact CB-CE2 4.37Å; L215-F219 WeakPolarHBondContact O-CD2 3.07Å; L215-F219 PolarHBondContact O-N 3.42Å
216	K	81.8	Confident	80.6	Confident	84 Å²	84	87.2 Å²	87.2	37%	0.365	43%	0.429	S	S	.	.	H	α-helix	trans	-59.9	-37.1	177.8	-173.1	176	-177.3	174.6	0	112.6	Y212 L213 L214 R220	Y212-K216 HydrophobicContact CE1-CD 4.33Å; Y212-K216 WeakPolarHBondContact O-CB 3.29Å; Y212-K216 PolarHBondContact O-N 3.05Å; L213-K216 PolarHBondContact O-N 2.84Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.37Å; K216-R220 VanDerWaalsContact O-CG 3.32Å; K216-R220 WeakPolarHBondContact O-CG 3.44Å; K216-R220 PolarHBondContact O-N 3.27Å
217	V	80.5	Confident	79.1	Confident	35 Å²	35	91.7 Å²	91.7	21%	0.212	46%	0.456	C	S	.	.	H	α-helix	trans	-69.3	-45.2	174.8	171.5	0	0	0	0	111.3	W133 L213 L214 L215 F219 R220 R221	W133-V217 HydrophobicContact CH2-CG2 3.85Å; W133-V217 HydrophobicContact CZ2-CG2 3.38Å; L213-V217 WeakPolarHBondContact O-CG2 3.26Å; L213-V217 PolarHBondContact O-N 3.45Å; L214-V217 PolarHBondContact O-N 2.93Å; L214-V217 VanDerWaalsContact O-N 3.12Å; L215-V217 VanDerWaalsContact C-N 3.29Å; L215-V217 PolarHBondContact O-N 3.31Å; V217-F219 PolarHBondContact O-N 2.91Å; V217-R220 PolarHBondContact O-N 3.38Å; V217-R221 PolarHBondContact O-N 2.89Å
218	C	81.3	Confident	77.5	Confident	80 Å²	80	96.4 Å²	96.4	54%	0.541	47%	0.474	S	S	.	.	H	α-helix	trans	-58.8	-46	177.2	-69.1	0	0	0	0	111.8	L214 L215 R220 R221 S222	L214-C218 PolarHBondContact O-N 2.95Å; L214-C218 PolarHBondContact O-SG 3.37Å; L214-C218 VanDerWaalsContact O-SG 3.37Å; L215-C218 PolarHBondContact O-N 3.32Å; C218-R220 VanDerWaalsContact C-N 3.34Å; C218-R220 PolarHBondContact O-N 3.33Å; C218-R221 PolarHBondContact O-N 3.43Å; C218-S222 WeakPolarHBondContact O-CB 3.3Å; C218-S222 PolarHBondContact O-N 2.96Å
219	F	80.4	Confident	75.8	Confident	142 Å²	142	103.1 Å²	103.1	62%	0.623	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-38.4	176.3	-78.9	-65.3	0	0	0	112.9	L215 V217 K223	L215-F219 HydrophobicContact CB-CD2 4.43Å; L215-F219 HydrophobicContact CB-CE2 4.37Å; L215-F219 WeakPolarHBondContact O-CD2 3.07Å; L215-F219 PolarHBondContact O-N 3.42Å; V217-F219 PolarHBondContact O-N 2.91Å; F219-K223 PolarHBondContact O-N 3.01Å
220	R	75.9	Confident	74.2	Confident	132 Å²	132	107 Å²	107	50%	0.498	51%	0.508	S	S	.	.	H	α-helix	trans	-66.9	-40.3	175.5	-76.5	177.6	175.1	-170.3	-3.8	112.4	K216 V217 C218 R224	K216-R220 VanDerWaalsContact O-CG 3.32Å; K216-R220 WeakPolarHBondContact O-CG 3.44Å; K216-R220 PolarHBondContact O-N 3.27Å; V217-R220 PolarHBondContact O-N 3.38Å; C218-R220 VanDerWaalsContact C-N 3.34Å; C218-R220 PolarHBondContact O-N 3.33Å; R220-R224 PolarHBondContact O-N 2.95Å; R220-R224 VanDerWaalsContact O-N 3.09Å
221	R	74.9	Confident	72.7	Confident	186 Å²	186	111.9 Å²	111.9	70%	0.702	53%	0.53	S	S	*	.	H	α-helix	trans	-64.6	-44.7	175.1	-74.3	-175.8	177.7	-179.6	-0.4	111.3	V217 C218 R224 A225	V217-R221 PolarHBondContact O-N 2.89Å; C218-R221 PolarHBondContact O-N 3.43Å; R221-R224 PolarHBondContact O-N 3.1Å; R221-A225 WeakPolarHBondContact O-CB 3.48Å; R221-A225 PolarHBondContact O-N 2.8Å
222	S	75.4	Confident	71.1	Confident	70 Å²	70	112.4 Å²	112.4	49%	0.49	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-46.6	177.4	-177.3	0	0	0	0	112.2	C218 R224 A225 Q226	C218-S222 WeakPolarHBondContact O-CB 3.3Å; C218-S222 PolarHBondContact O-N 2.96Å; S222-R224 PolarHBondContact O-N 3.28Å; S222-A225 PolarHBondContact O-N 2.9Å; S222-Q226 WeakPolarHBondContact O-CB 3.47Å; S222-Q226 PolarHBondContact O-N 3.16Å
223	K	72.8	Confident	69.7	Low	152 Å²	152	110.6 Å²	110.6	66%	0.661	53%	0.533	S	S	*	.	H	α-helix	trans	-61.4	-43	175	-75.7	-168.6	176.2	-169.6	0	113	F219 Q226 T227	F219-K223 PolarHBondContact O-N 3.01Å; K223-Q226 PolarHBondContact O-N 2.04Å; K223-T227 PolarHBondContact O-N 3.31Å; K223-T227 PolarHBondContact O-OG1 2.05Å; K223-T227 VanDerWaalsContact O-OG1 3.11Å
224	R	66.4	Low	68.4	Low	198 Å²	198	115.7 Å²	115.7	75%	0.747	56%	0.556	S	S	*	*	H	α-helix	trans	-62.8	-41.9	175.9	-88.2	-175.2	176.6	175.5	-1.1	112.3	R220 R221 S222 Q226 T227 Q228	R220-R224 PolarHBondContact O-N 2.95Å; R220-R224 VanDerWaalsContact O-N 3.09Å; R221-R224 PolarHBondContact O-N 3.1Å; S222-R224 PolarHBondContact O-N 3.28Å; R224-Q226 VanDerWaalsContact C-N 3.32Å; R224-Q226 PolarHBondContact O-N 3.29Å; R224-T227 PolarHBondContact O-N 3.25Å; R224-Q228 PolarHBondContact O-N 2.02Å
225	A	65.4	Low	67.2	Low	58 Å²	58	114 Å²	114	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-38.7	176	0	0	0	0	0	111.7	R221 S222 R229	R221-A225 WeakPolarHBondContact O-CB 3.48Å; R221-A225 PolarHBondContact O-N 2.8Å; S222-A225 PolarHBondContact O-N 2.9Å; A225-R229 WeakPolarHBondContact O-CB 2.99Å; A225-R229 PolarHBondContact O-N 3.48Å
226	Q	64.3	Low	66	Low	122 Å²	122	114.1 Å²	114.1	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-69.4	-40.5	177.2	-164	170.9	4.2	0	0	112.6	S222 K223 R224 R229 N230	S222-Q226 WeakPolarHBondContact O-CB 3.47Å; S222-Q226 PolarHBondContact O-N 3.16Å; K223-Q226 PolarHBondContact O-N 2.04Å; R224-Q226 VanDerWaalsContact C-N 3.32Å; R224-Q226 PolarHBondContact O-N 3.29Å; Q226-R229 PolarHBondContact O-N 2.86Å; Q226-N230 PolarHBondContact O-N 3.4Å; Q226-N230 VanDerWaalsContact O-N 3.12Å
227	T	57.8	Low	65.1	Low	93 Å²	93	117.9 Å²	117.9	57%	0.571	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-42.1	173.7	-56.2	0	0	0	0	111.9	K223 R224 R229 N230 H231	K223-T227 PolarHBondContact O-N 3.31Å; K223-T227 PolarHBondContact O-OG1 2.05Å; K223-T227 VanDerWaalsContact O-OG1 3.11Å; R224-T227 PolarHBondContact O-N 3.25Å; T227-R229 PolarHBondContact O-N 3.14Å; T227-N230 PolarHBondContact O-N 3.45Å; T227-H231 PolarHBondContact O-N 3.24Å; T227-H231 VanDerWaalsContact O-N 3.12Å
228	Q	58.8	Low	64.2	Low	157 Å²	157	121.2 Å²	121.2	73%	0.734	59%	0.585	S	S	*	*	H	α-helix	trans	-66.1	-24.5	174.2	-90	-168.9	-17.3	0	0	113.4	R224 P232	R224-Q228 PolarHBondContact O-N 2.02Å; Q228-P232 WeakPolarHBondContact O-CD 3.28Å
229	R	55.6	Low	63.5	Low	199 Å²	199	120.6 Å²	120.6	75%	0.751	58%	0.582	S	S	*	*	H	α-helix	trans	-81.5	-27.5	176.6	-155.1	171.8	172.8	-179.9	-3.1	112.7	A225 Q226 T227 P232	A225-R229 WeakPolarHBondContact O-CB 2.99Å; A225-R229 PolarHBondContact O-N 3.48Å; Q226-R229 PolarHBondContact O-N 2.86Å; T227-R229 PolarHBondContact O-N 3.14Å; R229-P232 WeakPolarHBondContact O-CD 3.39Å
230	N	55.2	Low	63	Low	104 Å²	104	120.6 Å²	120.6	56%	0.556	58%	0.581	S	S	*	*	H	α-helix	trans	-80.3	-27.8	174	-76.2	-5.2	0	0	0	113.3	Q226 T227 N233 H234	Q226-N230 PolarHBondContact O-N 3.4Å; Q226-N230 VanDerWaalsContact O-N 3.12Å; T227-N230 PolarHBondContact O-N 3.45Å; N230-N233 PolarHBondContact O-N 3.22Å; N230-H234 PolarHBondContact O-N 2.91Å; N230-H234 VanDerWaalsContact O-N 3.16Å
231	H	55.8	Low	62.7	Low	133 Å²	133	119 Å²	119	62%	0.616	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-40.8	-179.8	-145.2	-57.3	0	0	0	115.9	T227 N233 H234 A235	T227-H231 PolarHBondContact O-N 3.24Å; T227-H231 VanDerWaalsContact O-N 3.12Å; H231-N233 VanDerWaalsContact C-N 3.32Å; H231-H234 PolarHBondContact O-N 3.24Å; H231-A235 PolarHBondContact O-N 3.47Å; H231-A235 VanDerWaalsContact O-N 3.11Å
232	P	54.1	Low	62.5	Low	73 Å²	73	114.7 Å²	114.7	47%	0.474	57%	0.57	S	S	.	*	H	α-helix	trans	-69.5	-31.7	175.9	24.1	-32.2	0	0	0	111.8	Q228 R229 H234 L236	Q228-P232 WeakPolarHBondContact O-CD 3.28Å; R229-P232 WeakPolarHBondContact O-CD 3.39Å; P232-H234 VanDerWaalsContact C-N 3.34Å; P232-L236 VanDerWaalsContact O-CB 3.28Å; P232-L236 WeakPolarHBondContact O-CB 3.34Å; P232-L236 PolarHBondContact O-N 2.88Å
233	N	55.5	Low	62.5	Low	108 Å²	108	117 Å²	117	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-69.4	-29.9	174.5	-81.9	-12.3	0	0	0	112.7	N230 H231 K237	N230-N233 PolarHBondContact O-N 3.22Å; H231-N233 VanDerWaalsContact C-N 3.32Å; N233-K237 WeakPolarHBondContact O-CB 3.4Å; N233-K237 PolarHBondContact O-N 2.97Å
234	H	56.8	Low	62.6	Low	117 Å²	117	114.3 Å²	114.3	54%	0.542	56%	0.564	S	S	.	*	H	α-helix	trans	-75.3	-45.7	174.4	-158.2	-84.3	0	0	0	111.7	N230 H231 P232 L236 K237 E238	N230-H234 PolarHBondContact O-N 2.91Å; N230-H234 VanDerWaalsContact O-N 3.16Å; H231-H234 PolarHBondContact O-N 3.24Å; P232-H234 VanDerWaalsContact C-N 3.34Å; H234-L236 PolarHBondContact O-N 2.88Å; H234-K237 PolarHBondContact O-N 3.23Å; H234-K237 VanDerWaalsContact O-N 3.12Å; H234-E238 IonicContact CE1-OE1 3.95Å; H234-E238 IonicContact CE1-OE2 3.53Å; H234-E238 IonicContact ND1-OE2 2.97Å; H234-E238 PolarHBondContact ND1-OE2 3.33Å; H234-E238 PolarHBondContact O-N 2.97Å
235	A	58.8	Low	62.7	Low	50 Å²	50	108.5 Å²	108.5	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-39.2	178.7	0	0	0	0	0	112.8	H231 K237 S239	H231-A235 PolarHBondContact O-N 3.47Å; H231-A235 VanDerWaalsContact O-N 3.11Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.39Å; A235-S239 WeakPolarHBondContact O-CB 3.48Å; A235-S239 PolarHBondContact O-N 2.81Å
236	L	59.4	Low	63.1	Low	103 Å²	103	112.6 Å²	112.6	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-32.5	174.5	-172.6	69	0	0	0	112.3	P232 H234 K240	P232-L236 VanDerWaalsContact O-CB 3.28Å; P232-L236 WeakPolarHBondContact O-CB 3.34Å; P232-L236 PolarHBondContact O-N 2.88Å; H234-L236 PolarHBondContact O-N 2.88Å; L236-K240 WeakPolarHBondContact O-CG 3.29Å; L236-K240 PolarHBondContact O-N 2.74Å
237	K	61.8	Low	63.4	Low	163 Å²	163	112.3 Å²	112.3	71%	0.709	56%	0.559	S	S	*	*	H	α-helix	trans	-75.9	-39.6	178.5	-143.2	178.3	-173.2	-172.7	0	111.8	N233 H234 A235 K240 Q241	N233-K237 WeakPolarHBondContact O-CB 3.4Å; N233-K237 PolarHBondContact O-N 2.97Å; H234-K237 PolarHBondContact O-N 3.23Å; H234-K237 VanDerWaalsContact O-N 3.12Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.39Å; K237-K240 PolarHBondContact O-N 3Å; K237-Q241 WeakPolarHBondContact O-CB 3.17Å; K237-Q241 PolarHBondContact O-N 3Å
238	E	62.1	Low	64	Low	105 Å²	105	113 Å²	113	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-63.7	-42.4	171.5	-87.7	174.8	130.7	0	0	111.8	H234 K240 Q241 N242	H234-E238 IonicContact CE1-OE1 3.95Å; H234-E238 IonicContact CE1-OE2 3.53Å; H234-E238 IonicContact ND1-OE2 2.97Å; H234-E238 PolarHBondContact ND1-OE2 3.33Å; H234-E238 PolarHBondContact O-N 2.97Å; E238-K240 PolarHBondContact O-N 3.33Å; E238-Q241 PolarHBondContact O-N 3.26Å; E238-N242 WeakPolarHBondContact O-CB 3.34Å; E238-N242 PolarHBondContact O-N 3.08Å; E238-N242 PolarHBondContact O-ND2 2.98Å
239	S	65.8	Low	64.1	Low	68 Å²	68	109.4 Å²	109.4	48%	0.476	55%	0.55	S	S	.	*	H	α-helix	trans	-59.3	-46.9	175.6	-167.9	0	0	0	0	111.8	A235 Q241 N242 E243	A235-S239 WeakPolarHBondContact O-CB 3.48Å; A235-S239 PolarHBondContact O-N 2.81Å; S239-Q241 PolarHBondContact O-N 3.05Å; S239-N242 PolarHBondContact O-N 2.95Å; S239-E243 WeakPolarHBondContact O-CB 3.41Å; S239-E243 PolarHBondContact O-N 2.71Å
240	K	69.9	Low	64.3	Low	141 Å²	141	104.6 Å²	104.6	61%	0.613	54%	0.54	S	S	*	.	H	α-helix	trans	-65.8	-35.8	177.3	-75.3	-173.6	175.6	-171	0	113.3	L236 K237 E238 M244	L236-K240 WeakPolarHBondContact O-CG 3.29Å; L236-K240 PolarHBondContact O-N 2.74Å; K237-K240 PolarHBondContact O-N 3Å; E238-K240 PolarHBondContact O-N 3.33Å; K240-M244 WeakPolarHBondContact O-CB 3.33Å; K240-M244 PolarHBondContact O-N 3.01Å; K240-M244 VanDerWaalsContact O-N 3.16Å
241	Q	70.6	Confident	64.4	Low	98 Å²	98	103.7 Å²	103.7	46%	0.458	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-40.2	177	-170.2	70.2	44.5	0	0	111.3	K237 E238 S239 M244 N245	K237-Q241 WeakPolarHBondContact O-CB 3.17Å; K237-Q241 PolarHBondContact O-N 3Å; E238-Q241 PolarHBondContact O-N 3.26Å; S239-Q241 PolarHBondContact O-N 3.05Å; Q241-M244 PolarHBondContact O-N 2.85Å; Q241-N245 PolarHBondContact O-N 3.16Å; Q241-N245 PolarHBondContact O-ND2 3.22Å; Q241-N245 PolarHBondContact O-OD1 3.03Å
242	N	69.5	Low	64.3	Low	96 Å²	96	99 Å²	99	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-66.8	-42.1	177.8	-69.7	-10.3	0	0	0	111.8	E238 S239 M244 N245 E246	E238-N242 WeakPolarHBondContact O-CB 3.34Å; E238-N242 PolarHBondContact O-N 3.08Å; E238-N242 PolarHBondContact O-ND2 2.98Å; S239-N242 PolarHBondContact O-N 2.95Å; N242-M244 VanDerWaalsContact C-N 3.33Å; N242-M244 PolarHBondContact O-N 2.8Å; N242-N245 PolarHBondContact O-N 2.86Å; N242-E246 PolarHBondContact O-N 2.81Å
243	E	76.1	Confident	64.2	Low	118 Å²	118	101.8 Å²	101.8	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-61.7	-39.8	176.3	-150.9	179.7	131.1	0	0	111.7	S239 E246 L247	S239-E243 WeakPolarHBondContact O-CB 3.41Å; S239-E243 PolarHBondContact O-N 2.71Å; E243-E246 PolarHBondContact O-N 3.34Å; E243-L247 WeakPolarHBondContact O-CG 3.29Å; E243-L247 PolarHBondContact O-N 2.74Å
244	M	74.8	Confident	63.8	Low	96 Å²	96	102 Å²	102	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-69.7	-34.7	175.6	-170.1	163.9	60.9	0	0	112.8	K240 Q241 N242 L247 I248	K240-M244 WeakPolarHBondContact O-CB 3.33Å; K240-M244 PolarHBondContact O-N 3.01Å; K240-M244 VanDerWaalsContact O-N 3.16Å; Q241-M244 PolarHBondContact O-N 2.85Å; N242-M244 VanDerWaalsContact C-N 3.33Å; N242-M244 PolarHBondContact O-N 2.8Å; M244-L247 PolarHBondContact O-N 3.48Å; M244-I248 HydrophobicContact CG-CD1 4.23Å; M244-I248 WeakPolarHBondContact O-CD1 3.29Å; M244-I248 VanDerWaalsContact O-CG1 3.26Å; M244-I248 WeakPolarHBondContact O-CG1 3.4Å; M244-I248 PolarHBondContact O-N 3.44Å
245	N	69.6	Low	63.4	Low	76 Å²	76	100.2 Å²	100.2	41%	0.406	54%	0.542	S	S	.	.	H	α-helix	trans	-69.9	-33.6	176.1	-69	-14.7	0	0	0	112.2	Q241 N242 S249	Q241-N245 PolarHBondContact O-N 3.16Å; Q241-N245 PolarHBondContact O-ND2 3.22Å; Q241-N245 PolarHBondContact O-OD1 3.03Å; N242-N245 PolarHBondContact O-N 2.86Å; N245-S249 PolarHBondContact O-N 2.99Å; N245-S249 VanDerWaalsContact O-N 3.14Å
246	E	72.1	Confident	62.9	Low	145 Å²	145	104.8 Å²	104.8	68%	0.678	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-46.2	172.1	-95.4	178.9	131.3	0	0	111.7	N242 E243 I248 S249 D250	N242-E246 PolarHBondContact O-N 2.81Å; E243-E246 PolarHBondContact O-N 3.34Å; E246-I248 VanDerWaalsContact C-N 3.27Å; E246-I248 PolarHBondContact O-N 3.21Å; E246-S249 PolarHBondContact O-N 3.34Å; E246-S249 VanDerWaalsContact O-N 3.16Å; E246-D250 PolarHBondContact O-N 3.36Å
247	L	71.6	Confident	62.3	Low	115 Å²	115	105.6 Å²	105.6	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-61.5	-33.5	177.9	-71.8	169	0	0	0	113.3	E243 M244 S251	E243-L247 WeakPolarHBondContact O-CG 3.29Å; E243-L247 PolarHBondContact O-N 2.74Å; M244-L247 PolarHBondContact O-N 3.48Å; L247-S251 PolarHBondContact O-N 3.18Å; L247-S251 PolarHBondContact O-OG 2.75Å
248	I	69.2	Low	61.3	Low	109 Å²	109	100.4 Å²	100.4	56%	0.559	56%	0.56	S	S	*	*	H	α-helix	trans	-73.9	-37.1	176.6	-66.2	165.9	0	0	0	111.2	M244 E246 G252	M244-I248 HydrophobicContact CG-CD1 4.23Å; M244-I248 WeakPolarHBondContact O-CD1 3.29Å; M244-I248 VanDerWaalsContact O-CG1 3.26Å; M244-I248 WeakPolarHBondContact O-CG1 3.4Å; M244-I248 PolarHBondContact O-N 3.44Å; E246-I248 VanDerWaalsContact C-N 3.27Å; E246-I248 PolarHBondContact O-N 3.21Å; I248-G252 PolarHBondContact O-N 3.1Å
249	S	61.8	Low	60.2	Low	80 Å²	80	105.1 Å²	105.1	56%	0.559	58%	0.58	S	S	*	*	H	α-helix	trans	-64.5	-40.4	174	-92.3	0	0	0	0	112.5	N245 E246 G252 Q253	N245-S249 PolarHBondContact O-N 2.99Å; N245-S249 VanDerWaalsContact O-N 3.14Å; E246-S249 PolarHBondContact O-N 3.34Å; E246-S249 VanDerWaalsContact O-N 3.16Å; S249-G252 PolarHBondContact O-N 2.87Å; S249-Q253 PolarHBondContact O-N 3.28Å; S249-Q253 VanDerWaalsContact O-N 3.11Å
250	D	59.5	Low	59.1	Low	98 Å²	98	107.2 Å²	107.2	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-72	-34.5	-178.4	-151.7	39.5	0	0	0	112	E246 N254	E246-D250 PolarHBondContact O-N 3.36Å; D250-N254 PolarHBondContact O-N 3.22Å; D250-N254 PolarHBondContact O-ND2 3.26Å; D250-N254 VanDerWaalsContact O-ND2 3.15Å
251	S	58.5	Low	57.6	Low	85 Å²	85	110 Å²	110	59%	0.594	63%	0.629	S	S	*	*	H	α-helix	trans	-70.7	-30.9	170.5	-67.2	0	0	0	0	113.1	L247 A255	L247-S251 PolarHBondContact O-N 3.18Å; L247-S251 PolarHBondContact O-OG 2.75Å; S251-A255 PolarHBondContact O-N 2.95Å
252	G	53.3	Low	56.9	Low	35 Å²	35	110.6 Å²	110.6	36%	0.361	64%	0.637	S	S	.	*	H	α-helix	trans	-70.9	-32.7	176.6	0	0	0	0	0	113.6	I248 S249 I256	I248-G252 PolarHBondContact O-N 3.1Å; S249-G252 PolarHBondContact O-N 2.87Å; G252-I256 WeakPolarHBondContact O-CG1 3.26Å
253	Q	51	Low	56.3	Low	131 Å²	131	111.3 Å²	111.3	61%	0.612	64%	0.644	S	S	*	*	H	α-helix	trans	-74.8	-34.8	176.6	-74.2	179.5	-5.2	0	0	112.5	S249 A255 I256	S249-Q253 PolarHBondContact O-N 3.28Å; S249-Q253 VanDerWaalsContact O-N 3.11Å; Q253-A255 VanDerWaalsContact C-N 3.3Å; Q253-A255 PolarHBondContact O-N 2.81Å; Q253-I256 PolarHBondContact O-N 2.87Å
254	N	47.3	Very low	55.2	Low	114 Å²	114	110.9 Å²	110.9	61%	0.61	65%	0.649	S	S	*	*	H	α-helix	trans	-74.7	-14.9	177.1	-72.2	-37.5	0	0	0	114.2	D250	D250-N254 PolarHBondContact O-N 3.22Å; D250-N254 PolarHBondContact O-ND2 3.26Å; D250-N254 VanDerWaalsContact O-ND2 3.15Å
255	A	49.6	Very low	54	Low	78 Å²	78	111.8 Å²	111.8	65%	0.645	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-15.1	175.2	0	0	0	0	0	113.7	S251 Q253	S251-A255 PolarHBondContact O-N 2.95Å; Q253-A255 VanDerWaalsContact C-N 3.3Å; Q253-A255 PolarHBondContact O-N 2.81Å
256	I	48.3	Very low	53	Low	146 Å²	146	114.1 Å²	114.1	75%	0.749	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-16.1	-175.8	-62.3	172.6	0	0	0	112.1	G252 Q253 G258	G252-I256 WeakPolarHBondContact O-CG1 3.26Å; Q253-I256 PolarHBondContact O-N 2.87Å; I256-G258 VanDerWaalsContact C-N 3.3Å; I256-G258 PolarHBondContact O-N 2.64Å
257	T	44.9	Very low	51.8	Low	120 Å²	120	112 Å²	112	74%	0.736	68%	0.675	S	S	*	*	S	Bend	trans	-88	14.7	179.5	51	0	0	0	0	114.7
258	G	41.9	Very low	50.3	Low	54 Å²	54	111.8 Å²	111.8	56%	0.557	68%	0.68	S	S	*	*			trans	-120.3	51.1	-173.6	0	0	0	0	0	115.2	I256	I256-G258 VanDerWaalsContact C-N 3.3Å; I256-G258 PolarHBondContact O-N 2.64Å
259	F	39.3	Very low	48.9	Very low	204 Å²	204	112 Å²	112	90%	0.895	69%	0.689	S	S	*	*			trans	-141.1	105.5	161.9	-101.7	-83.5	0	0	0	110.5
260	P	41.5	Very low	47.8	Very low	113 Å²	113	114.7 Å²	114.7	73%	0.734	70%	0.7	S	S	*	*			trans	-86.3	136.1	166	32.3	-26.2	0	0	0	110.7
261	S	38.5	Very low	46.8	Very low	198 Å²	198	116.2 Å²	116.2	100%	1.385	72%	0.716	S	S	*	*			trans	52.6	0	159.5	-58.2	0	0	0	0	119.2

Retrieved 261 of 261 residues in 102.6 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).