A0A077Z823_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z823, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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	65.3	Low	76.6	Confident	125 Å²	125	98.7 Å²	98.7	62%	0.616	50%	0.502	S	S	*	.				0	134.1	0	-130.9	172.4	-124.9	0	0	108.5	R47 L58 Y59 M61	M1-R47 HydrophobicContact CB-CG 4.48Å; M1-R47 PolarHBondContact O-NH1 3.49Å; M1-R47 PolarHBondContact O-NH2 2.76Å; M1-L58 WeakPolarHBondContact CE-O 3.43Å; M1-L58 HydrophobicContact SD-CD2 4.49Å; M1-L58 HydrophobicContact SD-CG 4.29Å; M1-Y59 WeakPolarHBondContact CE-O 3.25Å; M1-M61 HydrophobicContact CB-CE 3.69Å; M1-M61 HydrophobicContact CG-CE 3.86Å; M1-M61 HydrophobicContact SD-CE 4.13Å
2	K	78.5	Confident	76.5	Confident	190 Å²	190	93.9 Å²	93.9	83%	0.826	47%	0.473	S	S	*	.			trans	-110.8	161.4	173.7	-71.6	-174.6	178.6	-179.4	0	108.6	C4 M61	K2-C4 PolarHBondContact O-N 3Å; K2-M61 WeakPolarHBondContact O-CE 3.41Å
3	F	83	Confident	75.8	Confident	69 Å²	69	97.4 Å²	97.4	30%	0.303	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-61.2	132.6	169.9	-73.9	-78.8	0	0	0	110	I43 M61 E63 V68	F3-I43 HydrophobicContact CE1-CD1 4.29Å; F3-I43 HydrophobicContact CZ-CD1 3.93Å; F3-M61 WeakPolarHBondContact CA-O 3.01Å; F3-M61 HydrophobicContact CD1-CB 3.69Å; F3-M61 HydrophobicContact CE1-CB 3.74Å; F3-E63 HydrophobicContact CD1-CB 3.69Å; F3-E63 HydrophobicContact CE1-CB 3.93Å; F3-E63 HydrophobicContact CG-CB 4.14Å; F3-V68 HydrophobicContact CE1-CG1 3.92Å; F3-V68 HydrophobicContact CZ-CG1 4.45Å
4	C	80.7	Confident	75.3	Confident	43 Å²	43	95.1 Å²	95.1	29%	0.291	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-65.8	143.3	171.5	-65	0	0	0	0	109.3	K2 M61 Y62	K2-C4 PolarHBondContact O-N 3Å; C4-M61 PolarHBondContact N-O 3.25Å; C4-Y62 HydrophobicContact CB-CD1 3.64Å; C4-Y62 HydrophobicContact CB-CD2 4.42Å; C4-Y62 HydrophobicContact CB-CE1 3.4Å; C4-Y62 VanDerWaalsContact CB-CE1 3.4Å; C4-Y62 HydrophobicContact CB-CE2 4.2Å; C4-Y62 HydrophobicContact CB-CG 4.16Å
5	Q	75.3	Confident	74.5	Confident	188 Å²	188	95 Å²	95	88%	0.879	48%	0.481	S	S	*	.	S	Bend	trans	-91.7	138.9	172.1	-65.6	-155.9	-10.7	0	0	109.7
6	G	72.2	Confident	73.4	Confident	50 Å²	50	101.6 Å²	101.6	52%	0.515	51%	0.51	S	S	.	.	S	Bend	trans	113.7	173.5	-177.3	0	0	0	0	0	112.4
7	N	76.4	Confident	72.3	Confident	67 Å²	67	103.2 Å²	103.2	36%	0.358	52%	0.521	S	S	.	.			trans	-82.7	135.2	173.3	-167	4	0	0	0	108.7	E9 D10	N7-E9 PolarHBondContact ND2-OE2 2.83Å; N7-E9 VanDerWaalsContact ND2-OE2 3.11Å; N7-E9 PolarHBondContact O-N 2.62Å; N7-D10 WeakPolarHBondContact CB-OD2 3.43Å; N7-D10 PolarHBondContact N-OD2 3.44Å; N7-D10 WeakPolarHBondContact O-CB 3.36Å; N7-D10 PolarHBondContact O-N 3.45Å; N7-D10 VanDerWaalsContact O-N 3.1Å
8	F	79.5	Confident	71.4	Confident	4 Å²	4	105 Å²	105	2%	0.018	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-64.3	-28.3	-178.6	82.9	-86.5	0	0	0	111.3	D10 H11 Y12 V14 V25 R27 Y62 V69	F8-D10 PolarHBondContact O-N 3.06Å; F8-H11 PolarHBondContact O-N 3.08Å; F8-Y12 PolarHBondContact O-N 3.29Å; F8-V14 HydrophobicContact CE2-CG2 3.43Å; F8-V14 VanDerWaalsContact CE2-CG2 3.43Å; F8-V14 HydrophobicContact CZ-CG2 3.96Å; F8-V25 HydrophobicContact CE2-CG1 4.45Å; F8-R27 VanDerWaalsContact CZ-NH2 3.32Å; F8-Y62 HydrophobicContact CB-CD1 3.72Å; F8-Y62 HydrophobicContact CB-CD2 3.6Å; F8-Y62 HydrophobicContact CB-CE1 4.09Å; F8-Y62 HydrophobicContact CB-CE2 4.01Å; F8-Y62 HydrophobicContact CB-CG 3.45Å; F8-Y62 VanDerWaalsContact CB-CG 3.45Å; F8-V69 HydrophobicContact CD1-CB 4.41Å; F8-V69 HydrophobicContact CD1-CG1 4.43Å; F8-V69 HydrophobicContact CD1-CG2 3.77Å; F8-V69 HydrophobicContact CD2-CG1 4.33Å; F8-V69 HydrophobicContact CE1-CG2 4.06Å; F8-V69 HydrophobicContact CG-CB 4.48Å; F8-V69 HydrophobicContact CG-CG1 4.17Å; F8-V69 HydrophobicContact CG-CG2 4.31Å
9	E	80.2	Confident	70.1	Confident	107 Å²	107	101.8 Å²	101.8	50%	0.5	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-63.7	-19.6	177	-61	177	151.3	0	0	112.9	N7 H11 R27	N7-E9 PolarHBondContact ND2-OE2 2.83Å; N7-E9 VanDerWaalsContact ND2-OE2 3.11Å; N7-E9 PolarHBondContact O-N 2.62Å; E9-H11 PolarHBondContact O-N 3.44Å; E9-R27 IonicContact OE1-NH2 2.84Å
10	D	77.5	Confident	69.1	Low	121 Å²	121	100.2 Å²	100.2	65%	0.647	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-73.8	-17.8	174.7	-57.7	-29.9	0	0	0	111.7	N7 F8	N7-D10 WeakPolarHBondContact CB-OD2 3.43Å; N7-D10 PolarHBondContact N-OD2 3.44Å; N7-D10 WeakPolarHBondContact O-CB 3.36Å; N7-D10 PolarHBondContact O-N 3.45Å; N7-D10 VanDerWaalsContact O-N 3.1Å; F8-D10 PolarHBondContact O-N 3.06Å
11	H	74.1	Confident	68.7	Low	122 Å²	122	97 Å²	97	57%	0.565	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-26.9	-174.1	-62	-78.5	0	0	0	113.5	F8 E9	F8-H11 PolarHBondContact O-N 3.08Å; E9-H11 PolarHBondContact O-N 3.44Å
12	Y	74.9	Confident	68.7	Low	41 Å²	41	98.7 Å²	98.7	16%	0.161	52%	0.522	C	S	.	.			trans	-126.1	133.1	-173.9	-67.4	-85.8	0	0	0	111.9	F8 F23 E60 Y62 V71	F8-Y12 PolarHBondContact O-N 3.29Å; Y12-F23 HydrophobicContact CD1-CD2 4.36Å; Y12-F23 HydrophobicContact CE1-CB 4.4Å; Y12-F23 AromaticContact CE1-CD2 3.68Å; Y12-F23 HydrophobicContact CE1-CD2 3.68Å; Y12-F23 HydrophobicContact CE1-CE2 4.27Å; Y12-F23 HydrophobicContact CE1-CG 4.19Å; Y12-E60 PolarHBondContact OH-OE2 2.93Å; Y12-E60 VanDerWaalsContact OH-OE2 3.06Å; Y12-Y62 HydrophobicContact CD2-CE2 4.27Å; Y12-Y62 AromaticContact CE2-CE2 3.79Å; Y12-Y62 HydrophobicContact CE2-CE2 3.79Å; Y12-V71 HydrophobicContact CD2-CG2 4.39Å; Y12-V71 HydrophobicContact CE1-CG1 3.82Å; Y12-V71 HydrophobicContact CE2-CG2 3.92Å
13	I	67.4	Low	68.4	Low	139 Å²	139	93.2 Å²	93.2	71%	0.713	50%	0.499	S	S	*	.			trans	-83.1	120.7	165.9	-57.6	175.6	0	0	0	107.5	H15	I13-H15 PolarHBondContact O-CD2 2.82Å
14	V	68.6	Low	68	Low	66 Å²	66	90.4 Å²	90.4	40%	0.4	49%	0.488	S	S	.	.			trans	-83.5	121.9	177.1	-176	0	0	0	0	108.5	F8	F8-V14 HydrophobicContact CE2-CG2 3.43Å; F8-V14 VanDerWaalsContact CE2-CG2 3.43Å; F8-V14 HydrophobicContact CZ-CG2 3.96Å
15	H	64.4	Low	67.5	Low	93 Å²	93	90.4 Å²	90.4	43%	0.431	49%	0.487	S	S	.	.			trans	-105.5	139.6	169.6	-64.8	-88.7	0	0	0	109	I13 D17 S20	I13-H15 PolarHBondContact O-CD2 2.82Å; H15-D17 VanDerWaalsContact C-N 3.34Å; H15-S20 WeakPolarHBondContact CB-OG 2.96Å; H15-S20 PolarHBondContact ND1-OG 2.98Å
16	E	57.1	Low	67.3	Low	200 Å²	200	83.6 Å²	83.6	94%	0.935	46%	0.458	S	S	*	.	S	Bend	trans	-67.9	-36.9	174.4	-78.2	-176.6	152.6	0	0	111.5
17	D	54.2	Low	67	Low	130 Å²	130	85.3 Å²	85.3	70%	0.695	45%	0.449	S	S	*	.	S	Bend	trans	-88.5	118.1	179.9	-68.3	-35.9	0	0	0	111.9	H15 G19 S20	H15-D17 VanDerWaalsContact C-N 3.34Å; D17-G19 PolarHBondContact O-N 3.06Å; D17-S20 PolarHBondContact O-OG 3.46Å
18	L	55.6	Low	66.6	Low	135 Å²	135	82.8 Å²	82.8	71%	0.707	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	109.5	166.2	-75.2	165.6	0	0	0	109.1	A24	L18-A24 HydrophobicContact CD2-CB 4Å
19	G	46.3	Very low	65.4	Low	45 Å²	45	83.1 Å²	83.1	46%	0.464	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	136.9	-11.5	175.9	0	0	0	0	0	116.1	D17	D17-G19 PolarHBondContact O-N 3.06Å
20	S	51.8	Low	64	Low	69 Å²	69	82.6 Å²	82.6	48%	0.483	45%	0.449	S	S	.	.	S	Bend	trans	-94.3	-9.4	-179.6	51.3	0	0	0	0	114.7	H15 D17	H15-S20 WeakPolarHBondContact CB-OG 2.96Å; H15-S20 PolarHBondContact ND1-OG 2.98Å; D17-S20 PolarHBondContact O-OG 3.46Å
21	G	59.1	Low	62.5	Low	32 Å²	32	85.6 Å²	85.6	33%	0.33	46%	0.46	S	S	.	.	S	Bend	trans	-103.4	-173.6	178.6	0	0	0	0	0	114.5	L74	G21-L74 WeakPolarHBondContact O-CD2 3.45Å
22	Q	66.6	Low	61.5	Low	161 Å²	161	88.6 Å²	88.6	75%	0.752	47%	0.466	S	S	*	.	S	Bend	trans	-94	-15.7	166	-70.9	-175.4	-7.1	0	0	112.7	L74	Q22-L74 WeakPolarHBondContact O-CB 3.15Å
23	F	71.8	Confident	61	Low	75 Å²	75	89.8 Å²	89.8	33%	0.329	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.2	-172.7	-57	-72.4	0	0	0	109.9	Y12 Y59 V71	Y12-F23 HydrophobicContact CD1-CD2 4.36Å; Y12-F23 HydrophobicContact CE1-CB 4.4Å; Y12-F23 AromaticContact CE1-CD2 3.68Å; Y12-F23 HydrophobicContact CE1-CD2 3.68Å; Y12-F23 HydrophobicContact CE1-CE2 4.27Å; Y12-F23 HydrophobicContact CE1-CG 4.19Å; F23-Y59 AromaticContact CD1-CD2 3.32Å; F23-Y59 HydrophobicContact CD1-CD2 3.32Å; F23-Y59 AromaticContact CD1-CE2 3.46Å; F23-Y59 HydrophobicContact CD1-CE2 3.46Å; F23-Y59 VanDerWaalsContact CD1-CE2 3.46Å; F23-Y59 AromaticContact CE1-CD2 3.39Å; F23-Y59 HydrophobicContact CE1-CD2 3.39Å; F23-Y59 AromaticContact CE1-CE2 3.41Å; F23-Y59 HydrophobicContact CE1-CE2 3.41Å; F23-Y59 VanDerWaalsContact CE1-CE2 3.41Å; F23-Y59 HydrophobicContact CE1-CG 4.4Å; F23-V71 HydrophobicContact CB-CG1 3.87Å; F23-V71 HydrophobicContact CD1-CG1 4.42Å; F23-V71 HydrophobicContact CG-CG1 4.16Å
24	A	74.6	Confident	61.1	Low	10 Å²	10	85.2 Å²	85.2	8%	0.083	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.1	168.1	0	0	0	0	0	109	L18 L72 L74	L18-A24 HydrophobicContact CD2-CB 4Å; A24-L72 PolarHBondContact N-O 3.11Å; A24-L72 PolarHBondContact O-N 2.83Å; A24-L74 HydrophobicContact CB-CD1 4.23Å
25	V	69.1	Low	61.8	Low	43 Å²	43	90 Å²	90	26%	0.261	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.8	177.6	-179.4	0	0	0	0	108.4	F8 R27 V69	F8-V25 HydrophobicContact CE2-CG1 4.45Å; V25-R27 HydrophobicContact CG1-CG 4.5Å; V25-V69 HydrophobicContact CG1-CG1 3.32Å
26	V	71.8	Confident	62.7	Low	46 Å²	46	92.2 Å²	92.2	28%	0.279	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.6	174.1	-179.7	0	0	0	0	108.7	L70 L72	V26-L70 HydrophobicContact CB-CB 4.49Å; V26-L70 PolarHBondContact N-O 2.9Å; V26-L70 PolarHBondContact O-N 3.02Å; V26-L72 HydrophobicContact CB-CD1 4.3Å; V26-L72 HydrophobicContact CG2-CD1 3.63Å; V26-L72 HydrophobicContact CG2-CG 4.46Å
27	R	67.2	Low	64.2	Low	86 Å²	86	86.1 Å²	86.1	33%	0.325	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	175	-59.5	-174.7	-175.7	170.3	1.6	109.7	F8 E9 V25 R32 E67 V69	F8-R27 VanDerWaalsContact CZ-NH2 3.32Å; E9-R27 IonicContact OE1-NH2 2.84Å; V25-R27 HydrophobicContact CG1-CG 4.5Å; R27-R32 WeakPolarHBondContact O-CD 3.46Å; R27-R32 PolarHBondContact O-NH1 3.1Å; R27-E67 WeakPolarHBondContact CD-OE2 3.44Å; R27-V69 HydrophobicContact CG-CG1 4.47Å; R27-V69 HydrophobicContact CG-CG2 4.18Å
28	S	66.2	Low	65.9	Low	13 Å²	13	81.8 Å²	81.8	9%	0.091	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108.5	176.9	-66.6	0	0	0	0	108.5	V68	S28-V68 CarbonylContact C-O 3.44Å; S28-V68 PolarHBondContact N-O 3.07Å; S28-V68 WeakPolarHBondContact O-CA 3.02Å; S28-V68 WeakPolarHBondContact O-CB 3.42Å; S28-V68 PolarHBondContact O-N 3.05Å
29	G	56.1	Low	67.5	Low	11 Å²	11	75.8 Å²	75.8	11%	0.113	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	172.5	-175.7	0	0	0	0	0	112.3	Q31 R32	G29-Q31 PolarHBondContact O-N 3.32Å; G29-R32 PolarHBondContact O-N 3.24Å
30	S	50.2	Low	69.7	Low	97 Å²	97	78.2 Å²	78.2	68%	0.678	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-53.6	-23.8	-179.5	54	0	0	0	0	113.7	R32 G33	S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.35Å; S30-G33 PolarHBondContact O-N 2.91Å
31	Q	45.9	Very low	71.7	Confident	184 Å²	184	76.8 Å²	76.8	86%	0.86	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.9	174.6	-68	-166.9	-3.8	0	0	114.5	G29	G29-Q31 PolarHBondContact O-N 3.32Å
32	R	53.4	Low	73.4	Confident	185 Å²	185	76.4 Å²	76.4	70%	0.698	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-95.6	3.2	174.4	-72.9	-171.8	173.5	-169.8	-4.5	113.4	R27 G29 S30 A34	R27-R32 WeakPolarHBondContact O-CD 3.46Å; R27-R32 PolarHBondContact O-NH1 3.1Å; G29-R32 PolarHBondContact O-N 3.24Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.35Å; R32-A34 PolarHBondContact O-N 3.3Å; R32-A34 VanDerWaalsContact O-N 3.16Å
33	G	63.2	Low	74.7	Confident	65 Å²	65	69 Å²	69	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-0.3	179.4	0	0	0	0	0	115.7	S30	S30-G33 PolarHBondContact O-N 2.91Å
34	A	70	Confident	75.9	Confident	43 Å²	43	70.7 Å²	70.7	36%	0.355	36%	0.361	S	S	.	.			trans	-68.5	132.3	177.1	0	0	0	0	0	111.1	R32 I39	R32-A34 PolarHBondContact O-N 3.3Å; R32-A34 VanDerWaalsContact O-N 3.16Å; A34-I39 HydrophobicContact CB-CD1 4.36Å; A34-I39 HydrophobicContact CB-CG1 4.27Å
35	R	82.9	Confident	77	Confident	166 Å²	166	70.2 Å²	70.2	63%	0.626	36%	0.357	S	S	*	.			trans	-73.2	144.6	175.7	-62.7	179.7	-77.3	-157.1	-7.7	109.7	S37 D38 I39	R35-S37 PolarHBondContact O-N 3.15Å; R35-S37 VanDerWaalsContact O-N 3.16Å; R35-D38 WeakPolarHBondContact CB-OD2 3.47Å; R35-D38 IonicContact CZ-OD2 3.31Å; R35-D38 IonicContact NE-OD2 2.76Å; R35-D38 PolarHBondContact NE-OD2 2.7Å; R35-D38 VanDerWaalsContact NE-OD2 3.08Å; R35-D38 IonicContact NH2-OD2 3.56Å; R35-D38 WeakPolarHBondContact O-CA 3.35Å; R35-D38 WeakPolarHBondContact O-CB 3.35Å; R35-D38 PolarHBondContact O-N 2.94Å; R35-I39 PolarHBondContact O-N 2.97Å
36	R	84.3	Confident	78.3	Confident	141 Å²	141	68.4 Å²	68.4	53%	0.532	35%	0.346	S	S	.	.	H	α-helix	trans	-52.5	-39.8	176.9	-176.6	177.1	-179.7	117.2	7.3	112.6	D38 I39 E40 E63	R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.5Å; R36-I39 PolarHBondContact O-N 3.34Å; R36-E40 HydrophobicContact CG-CG 4.4Å; R36-E40 IonicContact CZ-OE1 3.25Å; R36-E40 IonicContact NE-OE1 3.08Å; R36-E40 PolarHBondContact NE-OE1 2.97Å; R36-E40 IonicContact NH2-OE1 3.66Å; R36-E40 WeakPolarHBondContact O-CG 3.22Å; R36-E40 PolarHBondContact O-N 3.49Å; R36-E63 IonicContact CZ-OE1 3.83Å; R36-E63 IonicContact NH1-OE1 3.69Å; R36-E63 PolarHBondContact NH1-OE1 3.11Å; R36-E63 IonicContact NH2-OE1 2.76Å; R36-E63 PolarHBondContact NH2-OE1 2.87Å; R36-E63 IonicContact NH2-OE2 3.49Å; R36-E63 PolarHBondContact NH2-OE2 2.84Å
37	S	89	Confident	79.4	Confident	71 Å²	71	71 Å²	71	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-32.8	176.5	54.8	0	0	0	0	113.4	R35 R41	R35-S37 PolarHBondContact O-N 3.15Å; R35-S37 VanDerWaalsContact O-N 3.16Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 3.23Å; S37-R41 VanDerWaalsContact O-N 3.1Å
38	D	89.7	Confident	80.9	Confident	39 Å²	39	71.5 Å²	71.5	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-72	-39.4	177.7	-69.3	-46.3	0	0	0	110.6	R35 R36 R41 E42	R35-D38 WeakPolarHBondContact CB-OD2 3.47Å; R35-D38 IonicContact CZ-OD2 3.31Å; R35-D38 IonicContact NE-OD2 2.76Å; R35-D38 PolarHBondContact NE-OD2 2.7Å; R35-D38 VanDerWaalsContact NE-OD2 3.08Å; R35-D38 IonicContact NH2-OD2 3.56Å; R35-D38 WeakPolarHBondContact O-CA 3.35Å; R35-D38 WeakPolarHBondContact O-CB 3.35Å; R35-D38 PolarHBondContact O-N 2.94Å; R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.5Å; D38-R41 PolarHBondContact O-N 2.83Å; D38-R41 IonicContact OD1-CZ 3.01Å; D38-R41 IonicContact OD1-NE 3.73Å; D38-R41 IonicContact OD1-NH2 2.73Å; D38-R41 PolarHBondContact OD1-NH2 3.32Å; D38-E42 PolarHBondContact O-N 2.98Å
39	I	89.2	Confident	82.4	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-45.9	175.5	-57.8	170.2	0	0	0	111	A34 R35 R36 R41 E42 I43 V68	A34-I39 HydrophobicContact CB-CD1 4.36Å; A34-I39 HydrophobicContact CB-CG1 4.27Å; R35-I39 PolarHBondContact O-N 2.97Å; R36-I39 PolarHBondContact O-N 3.34Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 2.98Å; I39-E42 PolarHBondContact O-N 3.47Å; I39-I43 HydrophobicContact CG2-CD1 3.99Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.22Å; I39-I43 PolarHBondContact O-N 3.29Å; I39-V68 HydrophobicContact CG2-CB 3.98Å; I39-V68 HydrophobicContact CG2-CG1 3.77Å; I39-V68 HydrophobicContact CG2-CG2 4.28Å
40	E	92	Very high	84.2	Confident	95 Å²	95	71.5 Å²	71.5	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-38.9	178.4	-74.1	172.3	177.2	0	0	111.6	R36 I43 E44	R36-E40 HydrophobicContact CG-CG 4.4Å; R36-E40 IonicContact CZ-OE1 3.25Å; R36-E40 IonicContact NE-OE1 3.08Å; R36-E40 PolarHBondContact NE-OE1 2.97Å; R36-E40 IonicContact NH2-OE1 3.66Å; R36-E40 WeakPolarHBondContact O-CG 3.22Å; R36-E40 PolarHBondContact O-N 3.49Å; E40-I43 PolarHBondContact O-N 2.96Å; E40-E44 PolarHBondContact O-N 2.81Å
41	R	94	Very high	86.2	Confident	40 Å²	40	70 Å²	70	15%	0.151	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-47.6	173.5	175.6	176.7	55.8	67.6	4.1	112	S37 D38 I39 I43 E44 V45 G140 L141 S142	S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 3.23Å; S37-R41 VanDerWaalsContact O-N 3.1Å; D38-R41 PolarHBondContact O-N 2.83Å; D38-R41 IonicContact OD1-CZ 3.01Å; D38-R41 IonicContact OD1-NE 3.73Å; D38-R41 IonicContact OD1-NH2 2.73Å; D38-R41 PolarHBondContact OD1-NH2 3.32Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 2.98Å; R41-I43 VanDerWaalsContact C-N 3.3Å; R41-I43 PolarHBondContact O-N 2.86Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 PolarHBondContact O-N 2.93Å; R41-V45 VanDerWaalsContact O-CG2 3.31Å; R41-V45 WeakPolarHBondContact O-CG2 3.44Å; R41-V45 PolarHBondContact O-N 3.45Å; R41-G140 VanDerWaalsContact CZ-O 3.25Å; R41-G140 PolarHBondContact NH1-O 3.03Å; R41-G140 PolarHBondContact NH2-O 2.91Å; R41-L141 PolarHBondContact NH1-O 3.23Å; R41-S142 PolarHBondContact NH1-O 3.41Å
42	E	94.7	Very high	88.7	Confident	23 Å²	23	63.2 Å²	63.2	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-43.7	177.2	-178.9	179.4	-171.3	0	0	111.3	D38 I39 E44 V45 L46 F139	D38-E42 PolarHBondContact O-N 2.98Å; I39-E42 PolarHBondContact O-N 3.47Å; E42-E44 PolarHBondContact O-N 2.89Å; E42-V45 PolarHBondContact O-N 2.73Å; E42-L46 HydrophobicContact CG-CD1 4Å; E42-L46 HydrophobicContact CG-CG 4.48Å; E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 WeakPolarHBondContact O-CG 3.42Å; E42-L46 PolarHBondContact O-N 3.01Å; E42-F139 HydrophobicContact CG-CB 4.17Å
43	I	94.2	Very high	90.8	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-45.1	175	-71.6	168.1	0	0	0	111.4	F3 I39 E40 R41 V45 L46 R47 L58 M61 V68 L70	F3-I43 HydrophobicContact CE1-CD1 4.29Å; F3-I43 HydrophobicContact CZ-CD1 3.93Å; I39-I43 HydrophobicContact CG2-CD1 3.99Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.22Å; I39-I43 PolarHBondContact O-N 3.29Å; E40-I43 PolarHBondContact O-N 2.96Å; R41-I43 VanDerWaalsContact C-N 3.3Å; R41-I43 PolarHBondContact O-N 2.86Å; I43-V45 VanDerWaalsContact C-N 3.35Å; I43-L46 PolarHBondContact O-N 3.4Å; I43-R47 HydrophobicContact CG2-CG 4.42Å; I43-R47 VanDerWaalsContact CG2-CZ 3.47Å; I43-R47 WeakPolarHBondContact O-CB 3.31Å; I43-R47 VanDerWaalsContact O-CG 3.24Å; I43-R47 WeakPolarHBondContact O-CG 3.24Å; I43-R47 PolarHBondContact O-N 3.44Å; I43-L58 HydrophobicContact CG2-CD2 4.34Å; I43-M61 HydrophobicContact CB-SD 4.47Å; I43-M61 HydrophobicContact CD1-CG 4.5Å; I43-M61 HydrophobicContact CD1-SD 4.17Å; I43-M61 HydrophobicContact CG1-SD 4.24Å; I43-M61 HydrophobicContact CG2-SD 3.41Å; I43-M61 WeakPolarHBondContact CG2-SD 3.08Å; I43-V68 HydrophobicContact CD1-CG1 4.15Å; I43-L70 HydrophobicContact CD1-CD2 3.76Å; I43-L70 HydrophobicContact CG1-CD1 4.44Å; I43-L70 HydrophobicContact CG1-CD2 3.54Å
44	E	95.8	Very high	92.5	Very high	111 Å²	111	55 Å²	55	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-59.3	-47.9	177.6	-175.2	-176.6	174.4	0	0	110.7	E40 R41 E42 R47 E48	E40-E44 PolarHBondContact O-N 2.81Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 PolarHBondContact O-N 2.93Å; E42-E44 PolarHBondContact O-N 2.89Å; E44-R47 PolarHBondContact O-N 3.1Å; E44-E48 WeakPolarHBondContact O-CG 3.3Å; E44-E48 PolarHBondContact O-N 2.84Å
45	V	97.2	Very high	93.9	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-54.5	177.5	176.1	0	0	0	0	110.4	R41 E42 I43 R47 E48 V49 F114 F139 S142	R41-V45 VanDerWaalsContact O-CG2 3.31Å; R41-V45 WeakPolarHBondContact O-CG2 3.44Å; R41-V45 PolarHBondContact O-N 3.45Å; E42-V45 PolarHBondContact O-N 2.73Å; I43-V45 VanDerWaalsContact C-N 3.35Å; V45-R47 PolarHBondContact O-N 3.18Å; V45-E48 PolarHBondContact O-N 2.97Å; V45-V49 HydrophobicContact CG1-CG2 3.88Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.3Å; V45-V49 PolarHBondContact O-N 2.88Å; V45-F114 HydrophobicContact CB-CD1 4.41Å; V45-F114 HydrophobicContact CB-CE1 4.39Å; V45-F114 HydrophobicContact CG1-CD1 4.24Å; V45-F114 HydrophobicContact CG2-CD1 3.73Å; V45-F114 HydrophobicContact CG2-CE1 3.69Å; V45-F139 HydrophobicContact CG1-CB 4.35Å; V45-F139 HydrophobicContact CG1-CD1 3.66Å; V45-F139 HydrophobicContact CG1-CE1 4.48Å; V45-F139 HydrophobicContact CG1-CG 4.39Å; V45-S142 WeakPolarHBondContact CG2-O 3.33Å
46	L	96.9	Very high	94.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-34.1	-178	-74.9	171	0	0	0	112.9	E42 I43 G50 I56 L58 L70 L72 F139	E42-L46 HydrophobicContact CG-CD1 4Å; E42-L46 HydrophobicContact CG-CG 4.48Å; E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 WeakPolarHBondContact O-CG 3.42Å; E42-L46 PolarHBondContact O-N 3.01Å; I43-L46 PolarHBondContact O-N 3.4Å; L46-G50 WeakPolarHBondContact O-CA 3.41Å; L46-G50 PolarHBondContact O-N 3.01Å; L46-I56 HydrophobicContact CD2-CG2 3.89Å; L46-L58 HydrophobicContact CB-CB 3.9Å; L46-L58 HydrophobicContact CB-CD2 4.09Å; L46-L58 HydrophobicContact CD1-CB 4.39Å; L46-L70 HydrophobicContact CD1-CD1 4.35Å; L46-L72 HydrophobicContact CD1-CD2 4.04Å; L46-F139 HydrophobicContact CD2-CB 4.18Å; L46-F139 HydrophobicContact CD2-CD2 3.65Å; L46-F139 HydrophobicContact CD2-CE2 4.24Å; L46-F139 HydrophobicContact CD2-CG 3.89Å; L46-F139 HydrophobicContact CG-CB 4.26Å; L46-F139 HydrophobicContact CG-CG 4.45Å
47	R	96.3	Very high	95.1	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	23%	0.227	S	C	.	.	H	α-helix	trans	-67.8	-39.2	173.6	-75	173.2	-178.6	171.4	7.2	112.3	M1 I43 E44 V45 L58 M61	M1-R47 HydrophobicContact CB-CG 4.48Å; M1-R47 PolarHBondContact O-NH1 3.49Å; M1-R47 PolarHBondContact O-NH2 2.76Å; I43-R47 HydrophobicContact CG2-CG 4.42Å; I43-R47 VanDerWaalsContact CG2-CZ 3.47Å; I43-R47 WeakPolarHBondContact O-CB 3.31Å; I43-R47 VanDerWaalsContact O-CG 3.24Å; I43-R47 WeakPolarHBondContact O-CG 3.24Å; I43-R47 PolarHBondContact O-N 3.44Å; E44-R47 PolarHBondContact O-N 3.1Å; V45-R47 PolarHBondContact O-N 3.18Å; R47-L58 HydrophobicContact CG-CD2 4.15Å; R47-M61 PolarHBondContact NH2-SD 2.74Å
48	E	97.6	Very high	95.3	Very high	96 Å²	96	36.9 Å²	36.9	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-77.8	-40.3	-177.5	-72.4	-65.5	127.3	0	0	112.2	E44 V45 K112 F114	E44-E48 WeakPolarHBondContact O-CG 3.3Å; E44-E48 PolarHBondContact O-N 2.84Å; V45-E48 PolarHBondContact O-N 2.97Å; E48-K112 WeakPolarHBondContact O-CD 3.41Å; E48-K112 PolarHBondContact O-NZ 3.16Å; E48-F114 HydrophobicContact CB-CD2 4.4Å; E48-F114 HydrophobicContact CB-CE2 3.55Å; E48-F114 HydrophobicContact CB-CZ 3.88Å; E48-F114 HydrophobicContact CG-CE2 3.94Å; E48-F114 HydrophobicContact CG-CZ 3.92Å
49	V	97.7	Very high	95.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-104.4	-13.2	-173.7	-53.5	0	0	0	0	114.5	V45 I55 H108 M109 K112 F114 F139	V45-V49 HydrophobicContact CG1-CG2 3.88Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.3Å; V45-V49 PolarHBondContact O-N 2.88Å; V49-I55 HydrophobicContact CB-CD1 4.16Å; V49-I55 HydrophobicContact CG2-CD1 4.27Å; V49-I55 HydrophobicContact CG2-CG2 4.12Å; V49-H108 PolarHBondContact O-CD2 3.3Å; V49-H108 PolarHBondContact O-NE2 3.31Å; V49-M109 HydrophobicContact CB-CG 4.18Å; V49-M109 HydrophobicContact CG1-CB 4.41Å; V49-M109 HydrophobicContact CG1-CG 4.1Å; V49-M109 HydrophobicContact CG2-CG 4.34Å; V49-K112 HydrophobicContact CG1-CD 4.39Å; V49-F114 HydrophobicContact CG1-CB 4.12Å; V49-F114 HydrophobicContact CG1-CD2 3.72Å; V49-F114 HydrophobicContact CG1-CE2 4.42Å; V49-F114 HydrophobicContact CG1-CG 4.06Å; V49-F139 HydrophobicContact CG2-CD1 4.25Å; V49-F139 HydrophobicContact CG2-CE1 3.84Å
50	G	95	Very high	95.5	Very high	24 Å²	24	42.2 Å²	42.2	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	163.7	177.9	0	0	0	0	0	113.2	L46 H52	L46-G50 WeakPolarHBondContact O-CA 3.41Å; L46-G50 PolarHBondContact O-N 3.01Å; G50-H52 VanDerWaalsContact C-N 3.27Å; G50-H52 PolarHBondContact O-N 3.1Å
51	G	92.3	Very high	95.5	Very high	64 Å²	64	37.7 Å²	37.7	66%	0.66	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-7.8	-177.7	0	0	0	0	0	114.7	S57	G51-S57 PolarHBondContact N-OG 3.14Å
52	H	97.9	Very high	95.3	Very high	42 Å²	42	36.3 Å²	36.3	19%	0.194	20%	0.199	C	C	.	.	S	Bend	trans	-72.8	145.7	168.7	-175.9	-96.2	0	0	0	111.2	G50 N54 I55 Y104 H108	G50-H52 VanDerWaalsContact C-N 3.27Å; G50-H52 PolarHBondContact O-N 3.1Å; H52-N54 PolarHBondContact ND1-N 2.73Å; H52-N54 VanDerWaalsContact ND1-N 3.14Å; H52-N54 PolarHBondContact O-N 3.02Å; H52-N54 VanDerWaalsContact O-N 3.1Å; H52-I55 HydrophobicContact CB-CB 4.2Å; H52-I55 HydrophobicContact CB-CD1 4.14Å; H52-I55 HydrophobicContact CB-CG1 4.32Å; H52-I55 PolarHBondContact O-N 3.42Å; H52-I55 VanDerWaalsContact O-N 3.11Å; H52-Y104 PolarHBondContact CE1-O 3.28Å; H52-H108 HydrophobicContact CB-CB 4.49Å; H52-H108 AromaticContact CD2-CG 3.85Å; H52-H108 AromaticContact CD2-ND1 3.87Å; H52-H108 AromaticContact CG-CG 3.91Å
53	A	97.8	Very high	95	Very high	67 Å²	67	38.5 Å²	38.5	55%	0.554	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.3	-175.5	0	0	0	0	0	113.7	K135	A53-K135 WeakPolarHBondContact O-CE 3.48Å; A53-K135 PolarHBondContact O-NZ 3.46Å
54	N	98.5	Very high	94.5	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.064	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	13.5	-179.4	-57.7	112.9	0	0	0	114.7	H52 Q101 I134 L136	H52-N54 PolarHBondContact ND1-N 2.73Å; H52-N54 VanDerWaalsContact ND1-N 3.14Å; H52-N54 PolarHBondContact O-N 3.02Å; H52-N54 VanDerWaalsContact O-N 3.1Å; N54-Q101 PolarHBondContact ND2-OE1 3.25Å; N54-I134 WeakPolarHBondContact CA-O 3.41Å; N54-I134 HydrophobicContact CB-CD1 4.01Å; N54-I134 PolarHBondContact ND2-O 3.22Å; N54-L136 WeakPolarHBondContact O-CG 3.15Å; N54-L136 PolarHBondContact O-N 3.11Å
55	I	98.5	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-125	139.8	176.8	-66.5	173.3	0	0	0	108.6	V49 H52 H108 M109 K135 F139	V49-I55 HydrophobicContact CB-CD1 4.16Å; V49-I55 HydrophobicContact CG2-CD1 4.27Å; V49-I55 HydrophobicContact CG2-CG2 4.12Å; H52-I55 HydrophobicContact CB-CB 4.2Å; H52-I55 HydrophobicContact CB-CD1 4.14Å; H52-I55 HydrophobicContact CB-CG1 4.32Å; H52-I55 PolarHBondContact O-N 3.42Å; H52-I55 VanDerWaalsContact O-N 3.11Å; I55-H108 HydrophobicContact CD1-CB 4.34Å; I55-M109 HydrophobicContact CD1-CG 3.65Å; I55-M109 HydrophobicContact CD1-SD 4.34Å; I55-K135 WeakPolarHBondContact O-CD 3.43Å; I55-K135 PolarHBondContact O-NZ 2.81Å; I55-F139 HydrophobicContact CB-CZ 4.45Å; I55-F139 HydrophobicContact CG1-CZ 4.39Å; I55-F139 HydrophobicContact CG2-CE1 4.2Å; I55-F139 HydrophobicContact CG2-CE2 4.07Å; I55-F139 HydrophobicContact CG2-CZ 3.52Å
56	I	96.3	Very high	93	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.062	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62	137.8	174.4	-162	169.1	0	0	0	111	L46 L72 E73 V75 L136 I137 F139	L46-I56 HydrophobicContact CD2-CG2 3.89Å; I56-L72 HydrophobicContact CD1-CB 3.95Å; I56-L72 HydrophobicContact CD1-CD1 4.02Å; I56-L72 HydrophobicContact CG1-CB 4.3Å; I56-E73 HydrophobicContact CG1-CB 4Å; I56-V75 HydrophobicContact CD1-CG2 4.21Å; I56-V75 HydrophobicContact CG1-CG2 4.28Å; I56-L136 PolarHBondContact N-O 3.22Å; I56-I137 HydrophobicContact CB-CG2 4.23Å; I56-I137 HydrophobicContact CD1-CG2 3.98Å; I56-F139 HydrophobicContact CG2-CD2 4.08Å; I56-F139 HydrophobicContact CG2-CE2 3.79Å
57	S	95.7	Very high	92.4	Very high	16 Å²	16	57.8 Å²	57.8	11%	0.112	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-95.7	136.3	179.8	-56	0	0	0	0	111.6	G51 L72 E73	G51-S57 PolarHBondContact N-OG 3.14Å; S57-L72 CarbonylContact O-C 3.57Å; S57-L72 WeakPolarHBondContact O-CA 3.38Å; S57-E73 PolarHBondContact N-OE2 2.77Å; S57-E73 PolarHBondContact O-N 2.82Å; S57-E73 PolarHBondContact OG-OE2 3.11Å
58	L	94.5	Very high	92	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127	165.7	175.3	68.3	0	0	0	109.2	M1 I43 L46 R47 E60 M61 L70 L72	M1-L58 WeakPolarHBondContact CE-O 3.43Å; M1-L58 HydrophobicContact SD-CD2 4.49Å; M1-L58 HydrophobicContact SD-CG 4.29Å; I43-L58 HydrophobicContact CG2-CD2 4.34Å; L46-L58 HydrophobicContact CB-CB 3.9Å; L46-L58 HydrophobicContact CB-CD2 4.09Å; L46-L58 HydrophobicContact CD1-CB 4.39Å; R47-L58 HydrophobicContact CG-CD2 4.15Å; L58-E60 WeakPolarHBondContact CD1-O 3.48Å; L58-M61 HydrophobicContact CD1-CG 3.94Å; L58-M61 HydrophobicContact CD2-CG 3.95Å; L58-M61 HydrophobicContact CD2-SD 3.9Å; L58-M61 HydrophobicContact CG-CG 4.31Å; L58-L70 HydrophobicContact CD1-CB 3.99Å; L58-L70 HydrophobicContact CD1-CD2 4.21Å; L58-L72 HydrophobicContact CB-CD2 4.04Å; L58-L72 HydrophobicContact CD1-CD2 3.63Å; L58-L72 HydrophobicContact CG-CD2 4.46Å
59	Y	91.8	Very high	91.6	Very high	94 Å²	94	49 Å²	49	37%	0.369	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-49.7	179.8	-64	-38.8	0	0	0	112.7	M1 F23 V71 E73	M1-Y59 WeakPolarHBondContact CE-O 3.25Å; F23-Y59 AromaticContact CD1-CD2 3.32Å; F23-Y59 HydrophobicContact CD1-CD2 3.32Å; F23-Y59 AromaticContact CD1-CE2 3.46Å; F23-Y59 HydrophobicContact CD1-CE2 3.46Å; F23-Y59 VanDerWaalsContact CD1-CE2 3.46Å; F23-Y59 AromaticContact CE1-CD2 3.39Å; F23-Y59 HydrophobicContact CE1-CD2 3.39Å; F23-Y59 AromaticContact CE1-CE2 3.41Å; F23-Y59 HydrophobicContact CE1-CE2 3.41Å; F23-Y59 VanDerWaalsContact CE1-CE2 3.41Å; F23-Y59 HydrophobicContact CE1-CG 4.4Å; Y59-V71 PolarHBondContact N-O 3.38Å; Y59-E73 VanDerWaalsContact CE2-CA 3.49Å; Y59-E73 HydrophobicContact CE2-CB 4.01Å
60	E	91.5	Very high	91.2	Very high	66 Å²	66	49 Å²	49	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.3	-177.5	-59.8	-168.6	165.2	0	0	110.9	Y12 L58 Y62 V71	Y12-E60 PolarHBondContact OH-OE2 2.93Å; Y12-E60 VanDerWaalsContact OH-OE2 3.06Å; L58-E60 WeakPolarHBondContact CD1-O 3.48Å; E60-Y62 HydrophobicContact CB-CE2 4.09Å; E60-Y62 WeakPolarHBondContact OE2-CE2 3.31Å; E60-Y62 PolarHBondContact OE2-OH 2.99Å; E60-V71 HydrophobicContact CB-CB 3.97Å; E60-V71 HydrophobicContact CB-CG2 4.04Å; E60-V71 PolarHBondContact N-O 3.02Å; E60-V71 PolarHBondContact O-N 2.83Å
61	M	91.2	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.7	171.8	-46.2	141.2	-68	0	0	109.6	M1 K2 F3 C4 I43 R47 L58 V69 L70	M1-M61 HydrophobicContact CB-CE 3.69Å; M1-M61 HydrophobicContact CG-CE 3.86Å; M1-M61 HydrophobicContact SD-CE 4.13Å; K2-M61 WeakPolarHBondContact O-CE 3.41Å; F3-M61 WeakPolarHBondContact CA-O 3.01Å; F3-M61 HydrophobicContact CD1-CB 3.69Å; F3-M61 HydrophobicContact CE1-CB 3.74Å; C4-M61 PolarHBondContact N-O 3.25Å; I43-M61 HydrophobicContact CB-SD 4.47Å; I43-M61 HydrophobicContact CD1-CG 4.5Å; I43-M61 HydrophobicContact CD1-SD 4.17Å; I43-M61 HydrophobicContact CG1-SD 4.24Å; I43-M61 HydrophobicContact CG2-SD 3.41Å; I43-M61 WeakPolarHBondContact CG2-SD 3.08Å; R47-M61 PolarHBondContact NH2-SD 2.74Å; L58-M61 HydrophobicContact CD1-CG 3.94Å; L58-M61 HydrophobicContact CD2-CG 3.95Å; L58-M61 HydrophobicContact CD2-SD 3.9Å; L58-M61 HydrophobicContact CG-CG 4.31Å; M61-V69 CarbonylContact C-O 3.53Å; M61-V69 VanDerWaalsContact CA-O 3.22Å; M61-V69 WeakPolarHBondContact CA-O 3.43Å; M61-L70 HydrophobicContact CB-CD2 4.25Å; M61-L70 HydrophobicContact CG-CD2 3.77Å
62	Y	90	Very high	91	Very high	11 Å²	11	45.4 Å²	45.4	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.7	173.5	-64.7	-101.7	0	0	0	109.1	C4 F8 Y12 E60 V68 V69 V71	C4-Y62 HydrophobicContact CB-CD1 3.64Å; C4-Y62 HydrophobicContact CB-CD2 4.42Å; C4-Y62 HydrophobicContact CB-CE1 3.4Å; C4-Y62 VanDerWaalsContact CB-CE1 3.4Å; C4-Y62 HydrophobicContact CB-CE2 4.2Å; C4-Y62 HydrophobicContact CB-CG 4.16Å; F8-Y62 HydrophobicContact CB-CD1 3.72Å; F8-Y62 HydrophobicContact CB-CD2 3.6Å; F8-Y62 HydrophobicContact CB-CE1 4.09Å; F8-Y62 HydrophobicContact CB-CE2 4.01Å; F8-Y62 HydrophobicContact CB-CG 3.45Å; F8-Y62 VanDerWaalsContact CB-CG 3.45Å; Y12-Y62 HydrophobicContact CD2-CE2 4.27Å; Y12-Y62 AromaticContact CE2-CE2 3.79Å; Y12-Y62 HydrophobicContact CE2-CE2 3.79Å; E60-Y62 HydrophobicContact CB-CE2 4.09Å; E60-Y62 WeakPolarHBondContact OE2-CE2 3.31Å; E60-Y62 PolarHBondContact OE2-OH 2.99Å; Y62-V68 CarbonylContact O-C 3.45Å; Y62-V68 WeakPolarHBondContact O-CA 3.42Å; Y62-V69 PolarHBondContact N-O 3.22Å; Y62-V69 PolarHBondContact O-N 3.43Å; Y62-V71 HydrophobicContact CD2-CG2 4.18Å; Y62-V71 HydrophobicContact CE2-CG2 4Å
63	E	87.5	Confident	90.8	Very high	69 Å²	69	44.3 Å²	44.3	32%	0.322	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.3	174.5	-177.4	176.2	-174.1	0	0	108.8	F3 R36 V68	F3-E63 HydrophobicContact CD1-CB 3.69Å; F3-E63 HydrophobicContact CE1-CB 3.93Å; F3-E63 HydrophobicContact CG-CB 4.14Å; R36-E63 IonicContact CZ-OE1 3.83Å; R36-E63 IonicContact NH1-OE1 3.69Å; R36-E63 PolarHBondContact NH1-OE1 3.11Å; R36-E63 IonicContact NH2-OE1 2.76Å; R36-E63 PolarHBondContact NH2-OE1 2.87Å; R36-E63 IonicContact NH2-OE2 3.49Å; R36-E63 PolarHBondContact NH2-OE2 2.84Å; E63-V68 HydrophobicContact CG-CG2 4.22Å
64	S	84.5	Confident	90.4	Very high	55 Å²	55	42.6 Å²	42.6	39%	0.385	19%	0.194	S	C	.	.			trans	-111.8	177.3	168.4	80.5	0	0	0	0	109.9	R66 E67	S64-R66 PolarHBondContact O-N 3.42Å; S64-R66 VanDerWaalsContact O-N 3.13Å; S64-R66 PolarHBondContact OG-N 3.11Å; S64-R66 VanDerWaalsContact OG-N 3.16Å; S64-E67 PolarHBondContact N-O 3.27Å; S64-E67 PolarHBondContact OG-N 2.84Å; S64-E67 VanDerWaalsContact OG-N 3.16Å; S64-E67 PolarHBondContact OG-O 2.87Å
65	K	81	Confident	90	Very high	220 Å²	220	42.4 Å²	42.4	96%	0.957	19%	0.194	S	C	*	.	S	Bend	trans	-62.4	-17.2	173.4	-67.9	-175.3	179.2	179.3	0	113.6
66	R	80.6	Confident	89.6	Confident	201 Å²	201	44.7 Å²	44.7	76%	0.758	21%	0.209	S	C	*	.	S	Bend	trans	-113.1	-29.6	-171.2	-64.5	-176.2	179.1	-168.6	0.4	113.3	S64	S64-R66 PolarHBondContact O-N 3.42Å; S64-R66 VanDerWaalsContact O-N 3.13Å; S64-R66 PolarHBondContact OG-N 3.11Å; S64-R66 VanDerWaalsContact OG-N 3.16Å
67	E	85.1	Confident	89.4	Confident	50 Å²	50	44.9 Å²	44.9	23%	0.234	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.7	-171.1	61.6	-178.2	-172.5	0	0	112.3	R27 S64 V69	R27-E67 WeakPolarHBondContact CD-OE2 3.44Å; S64-E67 PolarHBondContact N-O 3.27Å; S64-E67 PolarHBondContact OG-N 2.84Å; S64-E67 VanDerWaalsContact OG-N 3.16Å; S64-E67 PolarHBondContact OG-O 2.87Å; E67-V69 HydrophobicContact CG-CG2 4.16Å
68	V	86.7	Confident	89.2	Confident	13 Å²	13	45.7 Å²	45.7	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135	165.1	174.9	0	0	0	0	107.5	F3 S28 I39 I43 Y62 E63 L70	F3-V68 HydrophobicContact CE1-CG1 3.92Å; F3-V68 HydrophobicContact CZ-CG1 4.45Å; S28-V68 CarbonylContact C-O 3.44Å; S28-V68 PolarHBondContact N-O 3.07Å; S28-V68 WeakPolarHBondContact O-CA 3.02Å; S28-V68 WeakPolarHBondContact O-CB 3.42Å; S28-V68 PolarHBondContact O-N 3.05Å; I39-V68 HydrophobicContact CG2-CB 3.98Å; I39-V68 HydrophobicContact CG2-CG1 3.77Å; I39-V68 HydrophobicContact CG2-CG2 4.28Å; I43-V68 HydrophobicContact CD1-CG1 4.15Å; Y62-V68 CarbonylContact O-C 3.45Å; Y62-V68 WeakPolarHBondContact O-CA 3.42Å; E63-V68 HydrophobicContact CG-CG2 4.22Å; V68-L70 HydrophobicContact CG1-CD2 4.08Å
69	V	88.4	Confident	89.1	Confident	2 Å²	2	48 Å²	48	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	178.9	-176.5	0	0	0	0	108.5	F8 V25 R27 M61 Y62 E67	F8-V69 HydrophobicContact CD1-CB 4.41Å; F8-V69 HydrophobicContact CD1-CG1 4.43Å; F8-V69 HydrophobicContact CD1-CG2 3.77Å; F8-V69 HydrophobicContact CD2-CG1 4.33Å; F8-V69 HydrophobicContact CE1-CG2 4.06Å; F8-V69 HydrophobicContact CG-CB 4.48Å; F8-V69 HydrophobicContact CG-CG1 4.17Å; F8-V69 HydrophobicContact CG-CG2 4.31Å; V25-V69 HydrophobicContact CG1-CG1 3.32Å; R27-V69 HydrophobicContact CG-CG1 4.47Å; R27-V69 HydrophobicContact CG-CG2 4.18Å; M61-V69 CarbonylContact C-O 3.53Å; M61-V69 VanDerWaalsContact CA-O 3.22Å; M61-V69 WeakPolarHBondContact CA-O 3.43Å; Y62-V69 PolarHBondContact N-O 3.22Å; Y62-V69 PolarHBondContact O-N 3.43Å; E67-V69 HydrophobicContact CG-CG2 4.16Å
70	L	89.6	Confident	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122	174.6	-53.1	-176.1	0	0	0	108.6	V26 I43 L46 L58 M61 V68 L72	V26-L70 HydrophobicContact CB-CB 4.49Å; V26-L70 PolarHBondContact N-O 2.9Å; V26-L70 PolarHBondContact O-N 3.02Å; I43-L70 HydrophobicContact CD1-CD2 3.76Å; I43-L70 HydrophobicContact CG1-CD1 4.44Å; I43-L70 HydrophobicContact CG1-CD2 3.54Å; L46-L70 HydrophobicContact CD1-CD1 4.35Å; L58-L70 HydrophobicContact CD1-CB 3.99Å; L58-L70 HydrophobicContact CD1-CD2 4.21Å; M61-L70 HydrophobicContact CB-CD2 4.25Å; M61-L70 HydrophobicContact CG-CD2 3.77Å; V68-L70 HydrophobicContact CG1-CD2 4.08Å; L70-L72 HydrophobicContact CB-CD2 4.22Å; L70-L72 HydrophobicContact CB-CG 4.32Å
71	V	91.6	Very high	89	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111	171.4	-175.6	0	0	0	0	107.6	Y12 F23 Y59 E60 Y62	Y12-V71 HydrophobicContact CD2-CG2 4.39Å; Y12-V71 HydrophobicContact CE1-CG1 3.82Å; Y12-V71 HydrophobicContact CE2-CG2 3.92Å; F23-V71 HydrophobicContact CB-CG1 3.87Å; F23-V71 HydrophobicContact CD1-CG1 4.42Å; F23-V71 HydrophobicContact CG-CG1 4.16Å; Y59-V71 PolarHBondContact N-O 3.38Å; E60-V71 HydrophobicContact CB-CB 3.97Å; E60-V71 HydrophobicContact CB-CG2 4.04Å; E60-V71 PolarHBondContact N-O 3.02Å; E60-V71 PolarHBondContact O-N 2.83Å; Y62-V71 HydrophobicContact CD2-CG2 4.18Å; Y62-V71 HydrophobicContact CE2-CG2 4Å
72	L	92.8	Very high	88.9	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	162.1	-175.1	-57	178.3	0	0	0	111.3	A24 V26 L46 I56 S57 L58 L70 L74	A24-L72 PolarHBondContact N-O 3.11Å; A24-L72 PolarHBondContact O-N 2.83Å; V26-L72 HydrophobicContact CB-CD1 4.3Å; V26-L72 HydrophobicContact CG2-CD1 3.63Å; V26-L72 HydrophobicContact CG2-CG 4.46Å; L46-L72 HydrophobicContact CD1-CD2 4.04Å; I56-L72 HydrophobicContact CD1-CB 3.95Å; I56-L72 HydrophobicContact CD1-CD1 4.02Å; I56-L72 HydrophobicContact CG1-CB 4.3Å; S57-L72 CarbonylContact O-C 3.57Å; S57-L72 WeakPolarHBondContact O-CA 3.38Å; L58-L72 HydrophobicContact CB-CD2 4.04Å; L58-L72 HydrophobicContact CD1-CD2 3.63Å; L58-L72 HydrophobicContact CG-CD2 4.46Å; L70-L72 HydrophobicContact CB-CD2 4.22Å; L70-L72 HydrophobicContact CB-CG 4.32Å; L72-L74 PolarHBondContact O-N 3.28Å
73	E	92.2	Very high	88.7	Confident	19 Å²	19	50 Å²	50	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	129.7	164.6	179.1	-179.7	-175.8	0	0	110.7	I56 S57 Y59 V75 K135	I56-E73 HydrophobicContact CG1-CB 4Å; S57-E73 PolarHBondContact N-OE2 2.77Å; S57-E73 PolarHBondContact O-N 2.82Å; S57-E73 PolarHBondContact OG-OE2 3.11Å; Y59-E73 VanDerWaalsContact CE2-CA 3.49Å; Y59-E73 HydrophobicContact CE2-CB 4.01Å; E73-V75 HydrophobicContact CG-CG2 4.43Å; E73-V75 PolarHBondContact O-N 3.45Å; E73-K135 VanDerWaalsContact CD-NZ 3.26Å; E73-K135 WeakPolarHBondContact OE1-CE 3.41Å; E73-K135 IonicContact OE1-NZ 3.22Å; E73-K135 PolarHBondContact OE1-NZ 3.27Å; E73-K135 WeakPolarHBondContact OE2-CE 3.35Å; E73-K135 IonicContact OE2-NZ 3.14Å; E73-K135 PolarHBondContact OE2-NZ 3.47Å
74	L	90.5	Very high	88.7	Confident	31 Å²	31	47.5 Å²	47.5	16%	0.162	24%	0.235	C	C	.	.			trans	-73	121.1	173	-179.7	64.3	0	0	0	110	G21 Q22 A24 L72	G21-L74 WeakPolarHBondContact O-CD2 3.45Å; Q22-L74 WeakPolarHBondContact O-CB 3.15Å; A24-L74 HydrophobicContact CB-CD1 4.23Å; L72-L74 PolarHBondContact O-N 3.28Å
75	V	90.8	Very high	88.7	Confident	8 Å²	8	50 Å²	50	5%	0.048	25%	0.251	C	S	.	.			trans	-116.7	108.1	174.6	-178.2	0	0	0	0	107.5	I56 E73 M125 L126 K135	I56-V75 HydrophobicContact CD1-CG2 4.21Å; I56-V75 HydrophobicContact CG1-CG2 4.28Å; E73-V75 HydrophobicContact CG-CG2 4.43Å; E73-V75 PolarHBondContact O-N 3.45Å; V75-M125 HydrophobicContact CB-SD 4.39Å; V75-M125 HydrophobicContact CG1-CB 3.42Å; V75-M125 VanDerWaalsContact CG1-CB 3.42Å; V75-M125 HydrophobicContact CG1-CE 4.2Å; V75-M125 HydrophobicContact CG1-CG 4.36Å; V75-M125 HydrophobicContact CG1-SD 4.04Å; V75-L126 WeakPolarHBondContact CG1-O 3.44Å; V75-K135 HydrophobicContact CG1-CB 4.23Å; V75-K135 HydrophobicContact CG1-CG 4.49Å; V75-K135 HydrophobicContact CG2-CB 4.06Å; V75-K135 HydrophobicContact CG2-CG 4.01Å
76	S	90.2	Very high	88.7	Confident	47 Å²	47	44 Å²	44	33%	0.329	24%	0.237	S	C	.	.			trans	-120.4	10.4	-167.3	61.4	0	0	0	0	114.5	G78 Q127	S76-G78 VanDerWaalsContact C-N 3.3Å; S76-Q127 PolarHBondContact N-O 3.13Å; S76-Q127 VanDerWaalsContact N-O 3.17Å
77	G	90.8	Very high	88.7	Confident	17 Å²	17	38.5 Å²	38.5	18%	0.175	22%	0.216	C	C	.	.	S	Bend	trans	-81.8	-4.7	178.2	0	0	0	0	0	115.1	L126	G77-L126 WeakPolarHBondContact CA-O 3.48Å; G77-L126 PolarHBondContact N-O 3.09Å
78	G	91.8	Very high	88.1	Confident	32 Å²	32	45.8 Å²	45.8	33%	0.33	25%	0.25	S	S	.	.			trans	77.8	-179.2	-173.9	0	0	0	0	0	112.9	S76 M125 L126	S76-G78 VanDerWaalsContact C-N 3.3Å; G78-M125 CarbonylContact O-C 3.56Å; G78-M125 WeakPolarHBondContact O-CA 3.49Å; G78-L126 PolarHBondContact O-N 2.96Å
79	E	92.2	Very high	87.6	Confident	62 Å²	62	49.4 Å²	49.4	29%	0.29	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-69.2	136.9	177.8	-66.7	170.2	-135.1	0	0	111.1	F81 H82 Y83	E79-F81 VanDerWaalsContact C-N 3.28Å; E79-F81 PolarHBondContact O-N 3.16Å; E79-H82 HydrophobicContact CB-CB 4.3Å; E79-H82 PolarHBondContact O-N 2.95Å; E79-Y83 PolarHBondContact O-N 3.5Å; E79-Y83 VanDerWaalsContact O-N 3.13Å
80	L	92.1	Very high	87.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-44.7	179.1	172	65	0	0	0	111.2	H82 Y83 L84 F98 I124 L126 I134	L80-H82 PolarHBondContact O-N 2.78Å; L80-Y83 WeakPolarHBondContact O-CB 3.42Å; L80-Y83 PolarHBondContact O-N 2.81Å; L80-L84 HydrophobicContact CD1-CD1 3.92Å; L80-L84 HydrophobicContact CD1-CG 4.05Å; L80-L84 HydrophobicContact CD2-CD1 4.45Å; L80-L84 HydrophobicContact CG-CD1 3.85Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.31Å; L80-F98 HydrophobicContact CD1-CD1 3.58Å; L80-F98 HydrophobicContact CD1-CD2 4.11Å; L80-F98 HydrophobicContact CD1-CE1 3.55Å; L80-F98 HydrophobicContact CD1-CE2 4.1Å; L80-F98 HydrophobicContact CD1-CG 3.86Å; L80-F98 HydrophobicContact CD1-CZ 3.82Å; L80-F98 HydrophobicContact CD2-CB 3.97Å; L80-F98 HydrophobicContact CD2-CD1 4.19Å; L80-F98 HydrophobicContact CD2-CG 4.07Å; L80-I124 HydrophobicContact CB-CB 4.41Å; L80-I124 HydrophobicContact CB-CG2 3.9Å; L80-I124 WeakPolarHBondContact CB-O 3.25Å; L80-I124 HydrophobicContact CD2-CG2 3.72Å; L80-I124 HydrophobicContact CG-CG2 4.47Å; L80-I124 PolarHBondContact N-O 3.42Å; L80-L126 HydrophobicContact CD1-CD2 3.98Å; L80-L126 HydrophobicContact CD1-CG 4.46Å; L80-I134 HydrophobicContact CD1-CG2 4.36Å; L80-I134 HydrophobicContact CD2-CG2 4.2Å
81	F	89.7	Confident	87.3	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-38	-175.7	-80	-103.3	0	0	0	112.1	E79 Y83 L84 C85 P121 I124 L183 V186 L187	E79-F81 VanDerWaalsContact C-N 3.28Å; E79-F81 PolarHBondContact O-N 3.16Å; F81-Y83 VanDerWaalsContact C-N 3.35Å; F81-Y83 PolarHBondContact O-N 3.16Å; F81-L84 PolarHBondContact O-N 3.11Å; F81-C85 WeakPolarHBondContact O-CB 3.39Å; F81-C85 PolarHBondContact O-N 3.19Å; F81-C85 PolarHBondContact O-SG 2.84Å; F81-P121 HydrophobicContact CB-CB 4.08Å; F81-P121 HydrophobicContact CD1-CB 4.24Å; F81-P121 HydrophobicContact CD1-CG 4.22Å; F81-P121 HydrophobicContact CD2-CB 3.47Å; F81-P121 VanDerWaalsContact CD2-CB 3.47Å; F81-P121 HydrophobicContact CD2-CG 3.99Å; F81-P121 HydrophobicContact CE1-CG 4.21Å; F81-P121 HydrophobicContact CE2-CB 3.91Å; F81-P121 HydrophobicContact CE2-CG 3.97Å; F81-P121 HydrophobicContact CG-CB 3.66Å; F81-P121 HydrophobicContact CG-CG 4.12Å; F81-P121 HydrophobicContact CZ-CB 4.47Å; F81-P121 HydrophobicContact CZ-CG 4.09Å; F81-I124 HydrophobicContact CE2-CD1 4.34Å; F81-L183 HydrophobicContact CE2-CD1 4.43Å; F81-L183 HydrophobicContact CE2-CD2 3.77Å; F81-L183 HydrophobicContact CE2-CG 4.01Å; F81-L183 HydrophobicContact CZ-CD2 3.61Å; F81-L183 HydrophobicContact CZ-CG 3.74Å; F81-V186 HydrophobicContact CD1-CG1 4.43Å; F81-V186 HydrophobicContact CE1-CB 4.41Å; F81-V186 HydrophobicContact CE1-CG1 3.91Å; F81-L187 HydrophobicContact CE1-CB 4.21Å; F81-L187 HydrophobicContact CE1-CD1 4.14Å; F81-L187 HydrophobicContact CZ-CB 4.24Å; F81-L187 HydrophobicContact CZ-CD1 4.21Å
82	H	88.8	Confident	87.4	Confident	129 Å²	129	57.8 Å²	57.8	60%	0.597	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-42.4	171.3	-79.4	-180	0	0	0	112.6	E79 L80 L84 C85 S86	E79-H82 HydrophobicContact CB-CB 4.3Å; E79-H82 PolarHBondContact O-N 2.95Å; L80-H82 PolarHBondContact O-N 2.78Å; H82-L84 VanDerWaalsContact C-N 3.28Å; H82-L84 PolarHBondContact O-N 2.7Å; H82-C85 PolarHBondContact O-N 3.03Å; H82-S86 PolarHBondContact O-N 3.27Å
83	Y	86.3	Confident	87.5	Confident	61 Å²	61	64.7 Å²	64.7	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-42.7	174.4	170.3	-99.8	0	0	0	111.4	E79 L80 F81 S86 F98 L126	E79-Y83 PolarHBondContact O-N 3.5Å; E79-Y83 VanDerWaalsContact O-N 3.13Å; L80-Y83 WeakPolarHBondContact O-CB 3.42Å; L80-Y83 PolarHBondContact O-N 2.81Å; F81-Y83 VanDerWaalsContact C-N 3.35Å; F81-Y83 PolarHBondContact O-N 3.16Å; Y83-S86 PolarHBondContact O-N 3.14Å; Y83-S86 PolarHBondContact O-OG 2.91Å; Y83-F98 HydrophobicContact CE1-CZ 4.42Å; Y83-L126 HydrophobicContact CD1-CD1 3.83Å; Y83-L126 HydrophobicContact CD2-CD1 3.92Å; Y83-L126 HydrophobicContact CG-CD1 3.5Å; Y83-L126 VanDerWaalsContact CG-CD1 3.5Å
84	L	86.6	Confident	87.5	Confident	15 Å²	15	66.7 Å²	66.7	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-70.3	-40.7	180	-66.6	176.2	0	0	0	113.3	L80 F81 H82 S86 R87 L90 F98 L187	L80-L84 HydrophobicContact CD1-CD1 3.92Å; L80-L84 HydrophobicContact CD1-CG 4.05Å; L80-L84 HydrophobicContact CD2-CD1 4.45Å; L80-L84 HydrophobicContact CG-CD1 3.85Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.31Å; F81-L84 PolarHBondContact O-N 3.11Å; H82-L84 VanDerWaalsContact C-N 3.28Å; H82-L84 PolarHBondContact O-N 2.7Å; L84-S86 PolarHBondContact O-N 2.95Å; L84-R87 WeakPolarHBondContact O-CB 3.48Å; L84-R87 PolarHBondContact O-N 2.82Å; L84-L90 HydrophobicContact CD1-CD2 3.97Å; L84-L90 HydrophobicContact CD2-CD1 3.66Å; L84-L90 HydrophobicContact CD2-CD2 4.02Å; L84-L90 HydrophobicContact CD2-CG 4.38Å; L84-L90 HydrophobicContact CG-CD2 4.47Å; L84-F98 HydrophobicContact CD2-CD2 4.38Å; L84-F98 HydrophobicContact CD2-CE2 3.82Å; L84-L187 HydrophobicContact CD1-CD1 3.22Å
85	C	83.8	Confident	87.6	Confident	109 Å²	109	65.4 Å²	65.4	74%	0.736	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-24.8	174.5	-70	0	0	0	0	113	F81 H82 R87	F81-C85 WeakPolarHBondContact O-CB 3.39Å; F81-C85 PolarHBondContact O-N 3.19Å; F81-C85 PolarHBondContact O-SG 2.84Å; H82-C85 PolarHBondContact O-N 3.03Å; C85-R87 VanDerWaalsContact C-N 3.27Å; C85-R87 PolarHBondContact O-N 3.32Å
86	S	82.8	Confident	87.9	Confident	94 Å²	94	68 Å²	68	66%	0.657	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-9	176.2	77.5	0	0	0	0	114	H82 Y83 L84	H82-S86 PolarHBondContact O-N 3.27Å; Y83-S86 PolarHBondContact O-N 3.14Å; Y83-S86 PolarHBondContact O-OG 2.91Å; L84-S86 PolarHBondContact O-N 2.95Å
87	R	80.2	Confident	88.2	Confident	84 Å²	84	67.7 Å²	67.7	32%	0.317	37%	0.374	S	S	.	.	S	Bend	trans	-94	143.6	179.9	-64.3	-171.7	61.8	-174.8	-3.5	111.4	L84 C85 S89 E94	L84-R87 WeakPolarHBondContact O-CB 3.48Å; L84-R87 PolarHBondContact O-N 2.82Å; C85-R87 VanDerWaalsContact C-N 3.27Å; C85-R87 PolarHBondContact O-N 3.32Å; R87-S89 VanDerWaalsContact C-N 3.25Å; R87-S89 PolarHBondContact O-N 3.26Å; R87-E94 IonicContact CZ-OE1 2.79Å; R87-E94 VanDerWaalsContact CZ-OE1 3.3Å; R87-E94 IonicContact CZ-OE2 3.5Å; R87-E94 IonicContact NH1-OE1 3.23Å; R87-E94 PolarHBondContact NH1-OE1 3Å; R87-E94 IonicContact NH1-OE2 3.15Å; R87-E94 PolarHBondContact NH1-OE2 2.94Å; R87-E94 VanDerWaalsContact NH1-OE2 3.15Å; R87-E94 IonicContact NH2-OE1 3.3Å; R87-E94 PolarHBondContact NH2-OE1 3.17Å; R87-E94 IonicContact NH2-OE2 3.99Å; R87-E94 PolarHBondContact NH2-OE2 2.94Å
88	E	73.2	Confident	88.5	Confident	204 Å²	204	67.2 Å²	67.2	95%	0.953	37%	0.367	S	S	*	.	S	Bend	trans	-65.3	-28.3	176.5	-66.4	-175.6	165.3	0	0	113.2
89	S	75	Confident	88.8	Confident	88 Å²	88	66.1 Å²	66.1	62%	0.615	35%	0.354	S	S	*	.			trans	-155.5	148.1	175.9	55.1	0	0	0	0	111.3	R87	R87-S89 VanDerWaalsContact C-N 3.25Å; R87-S89 PolarHBondContact O-N 3.26Å
90	L	82.6	Confident	89.1	Confident	51 Å²	51	68.8 Å²	68.8	27%	0.267	36%	0.361	S	S	.	.			trans	-122.4	119.3	168.8	179.5	65.3	0	0	0	107.4	L84 E94 A95 L187	L84-L90 HydrophobicContact CD1-CD2 3.97Å; L84-L90 HydrophobicContact CD2-CD1 3.66Å; L84-L90 HydrophobicContact CD2-CD2 4.02Å; L84-L90 HydrophobicContact CD2-CG 4.38Å; L84-L90 HydrophobicContact CG-CD2 4.47Å; L90-E94 HydrophobicContact CD1-CB 3.5Å; L90-A95 HydrophobicContact CD2-CB 3.99Å; L90-A95 HydrophobicContact CG-CB 4.24Å; L90-L187 HydrophobicContact CD2-CD1 3.76Å; L90-L187 HydrophobicContact CD2-CG 4.13Å
91	C	89.9	Confident	89.4	Confident	61 Å²	61	69.7 Å²	69.7	41%	0.412	37%	0.365	S	S	.	.			trans	-85.1	159.1	174	73.7	0	0	0	0	111.1	E93 E94 A95	C91-E93 PolarHBondContact O-N 3.19Å; C91-E94 PolarHBondContact O-N 3.38Å; C91-E94 VanDerWaalsContact O-N 3.15Å; C91-A95 PolarHBondContact O-N 3.24Å
92	E	93.2	Very high	89.9	Confident	66 Å²	66	68.7 Å²	68.7	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-31.9	179	-73.5	-173.6	-156.5	0	0	113.2	A95 S96 L188 T221 S222	E92-A95 PolarHBondContact O-N 3.43Å; E92-S96 VanDerWaalsContact O-CB 3.22Å; E92-S96 WeakPolarHBondContact O-CB 3.24Å; E92-S96 PolarHBondContact O-N 3.31Å; E92-S96 PolarHBondContact O-OG 3.48Å; E92-L188 HydrophobicContact CG-CD2 4.27Å; E92-T221 WeakPolarHBondContact OE1-CA 3.47Å; E92-S222 PolarHBondContact OE1-N 3.13Å; E92-S222 WeakPolarHBondContact OE2-CB 3.45Å; E92-S222 PolarHBondContact OE2-OG 3.07Å
93	E	94	Very high	90.3	Very high	157 Å²	157	65 Å²	65	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-46.2	177.3	-174.8	176.7	-176.1	0	0	111.1	C91 S96 S97	C91-E93 PolarHBondContact O-N 3.19Å; E93-S96 PolarHBondContact O-N 3.21Å; E93-S96 PolarHBondContact O-OG 2.89Å; E93-S97 PolarHBondContact O-N 2.87Å
94	E	92.2	Very high	90.9	Very high	62 Å²	62	65.7 Å²	65.7	29%	0.29	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-45.6	175.7	-72.2	179	137.7	0	0	111.5	R87 L90 C91 S96 S97 F98	R87-E94 IonicContact CZ-OE1 2.79Å; R87-E94 VanDerWaalsContact CZ-OE1 3.3Å; R87-E94 IonicContact CZ-OE2 3.5Å; R87-E94 IonicContact NH1-OE1 3.23Å; R87-E94 PolarHBondContact NH1-OE1 3Å; R87-E94 IonicContact NH1-OE2 3.15Å; R87-E94 PolarHBondContact NH1-OE2 2.94Å; R87-E94 VanDerWaalsContact NH1-OE2 3.15Å; R87-E94 IonicContact NH2-OE1 3.3Å; R87-E94 PolarHBondContact NH2-OE1 3.17Å; R87-E94 IonicContact NH2-OE2 3.99Å; R87-E94 PolarHBondContact NH2-OE2 2.94Å; L90-E94 HydrophobicContact CD1-CB 3.5Å; C91-E94 PolarHBondContact O-N 3.38Å; C91-E94 VanDerWaalsContact O-N 3.15Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.89Å; E94-S97 VanDerWaalsContact O-CB 3.28Å; E94-S97 WeakPolarHBondContact O-CB 3.39Å; E94-S97 PolarHBondContact O-N 3.16Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.25Å; E94-F98 PolarHBondContact O-N 3.05Å
95	A	94	Very high	91.5	Very high	3 Å²	3	65 Å²	65	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-45.8	175.2	0	0	0	0	0	111.1	L90 C91 E92 S97 F98 I99 L187 L188	L90-A95 HydrophobicContact CD2-CB 3.99Å; L90-A95 HydrophobicContact CG-CB 4.24Å; C91-A95 PolarHBondContact O-N 3.24Å; E92-A95 PolarHBondContact O-N 3.43Å; A95-S97 PolarHBondContact O-N 3.19Å; A95-F98 PolarHBondContact O-N 3.49Å; A95-F98 VanDerWaalsContact O-N 3.13Å; A95-I99 WeakPolarHBondContact O-CG1 3.49Å; A95-I99 PolarHBondContact O-N 3.03Å; A95-L187 HydrophobicContact CB-CD2 3.85Å; A95-L187 HydrophobicContact CB-CG 4.19Å; A95-L188 HydrophobicContact CB-CD2 3.92Å
96	S	96.6	Very high	92.2	Very high	64 Å²	64	59.8 Å²	59.8	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-33.5	177.5	82	0	0	0	0	112.4	E92 E93 E94 R100	E92-S96 VanDerWaalsContact O-CB 3.22Å; E92-S96 WeakPolarHBondContact O-CB 3.24Å; E92-S96 PolarHBondContact O-N 3.31Å; E92-S96 PolarHBondContact O-OG 3.48Å; E93-S96 PolarHBondContact O-N 3.21Å; E93-S96 PolarHBondContact O-OG 2.89Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.89Å; S96-R100 WeakPolarHBondContact O-CB 3.3Å; S96-R100 PolarHBondContact O-N 3.35Å
97	S	96.7	Very high	93	Very high	39 Å²	39	63 Å²	63	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-39.9	176.5	-167.2	0	0	0	0	111.8	E93 E94 A95 Q101	E93-S97 PolarHBondContact O-N 2.87Å; E94-S97 VanDerWaalsContact O-CB 3.28Å; E94-S97 WeakPolarHBondContact O-CB 3.39Å; E94-S97 PolarHBondContact O-N 3.16Å; A95-S97 PolarHBondContact O-N 3.19Å; S97-Q101 WeakPolarHBondContact O-CG 3.3Å; S97-Q101 PolarHBondContact O-N 2.76Å; S97-Q101 PolarHBondContact O-NE2 3.05Å
98	F	97.1	Very high	93.9	Very high	7 Å²	7	61 Å²	61	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-47.4	174.8	-66.2	-61.1	0	0	0	112.2	L80 Y83 L84 E94 A95 R100 Q101 I102 L126 T132 I134	L80-F98 HydrophobicContact CD1-CD1 3.58Å; L80-F98 HydrophobicContact CD1-CD2 4.11Å; L80-F98 HydrophobicContact CD1-CE1 3.55Å; L80-F98 HydrophobicContact CD1-CE2 4.1Å; L80-F98 HydrophobicContact CD1-CG 3.86Å; L80-F98 HydrophobicContact CD1-CZ 3.82Å; L80-F98 HydrophobicContact CD2-CB 3.97Å; L80-F98 HydrophobicContact CD2-CD1 4.19Å; L80-F98 HydrophobicContact CD2-CG 4.07Å; Y83-F98 HydrophobicContact CE1-CZ 4.42Å; L84-F98 HydrophobicContact CD2-CD2 4.38Å; L84-F98 HydrophobicContact CD2-CE2 3.82Å; E94-F98 VanDerWaalsContact O-CD2 3.26Å; E94-F98 WeakPolarHBondContact O-CD2 3.25Å; E94-F98 PolarHBondContact O-N 3.05Å; A95-F98 PolarHBondContact O-N 3.49Å; A95-F98 VanDerWaalsContact O-N 3.13Å; F98-R100 PolarHBondContact O-N 3.37Å; F98-Q101 WeakPolarHBondContact O-CB 3.29Å; F98-Q101 PolarHBondContact O-N 3.35Å; F98-I102 PolarHBondContact O-N 3.13Å; F98-I102 VanDerWaalsContact O-N 3.09Å; F98-L126 HydrophobicContact CE1-CD2 4.19Å; F98-T132 WeakPolarHBondContact CE1-O 3.28Å; F98-I134 HydrophobicContact CD1-CG2 3.69Å; F98-I134 HydrophobicContact CE1-CG2 4.22Å
99	I	98.1	Very high	95.1	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-41.2	176.4	-66.2	-55.4	0	0	0	111.3	A95 Q101 I102 L103 L180 L183 T184 L187 F228	A95-I99 WeakPolarHBondContact O-CG1 3.49Å; A95-I99 PolarHBondContact O-N 3.03Å; I99-Q101 VanDerWaalsContact C-N 3.31Å; I99-Q101 PolarHBondContact O-N 3.31Å; I99-I102 HydrophobicContact CD1-CD1 4.1Å; I99-I102 PolarHBondContact O-N 3.33Å; I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 3.4Å; I99-L180 HydrophobicContact CD1-CD1 4.31Å; I99-L180 HydrophobicContact CG2-CD1 4.39Å; I99-L183 HydrophobicContact CD1-CD2 4.19Å; I99-T184 HydrophobicContact CD1-CG2 4.36Å; I99-T184 WeakPolarHBondContact CD1-OG1 3.16Å; I99-T184 HydrophobicContact CG1-CG2 4.27Å; I99-L187 HydrophobicContact CD1-CD2 3.67Å; I99-L187 HydrophobicContact CG1-CD2 3.74Å; I99-F228 HydrophobicContact CG2-CE1 4.05Å; I99-F228 HydrophobicContact CG2-CZ 4Å
100	R	98.6	Very high	96.2	Very high	117 Å²	117	48.6 Å²	48.6	44%	0.442	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-36.1	177.3	-176.7	167.8	59.2	87.6	3.1	113	S96 F98 L103 Y104	S96-R100 WeakPolarHBondContact O-CB 3.3Å; S96-R100 PolarHBondContact O-N 3.35Å; F98-R100 PolarHBondContact O-N 3.37Å; R100-L103 WeakPolarHBondContact O-CB 3.35Å; R100-L103 PolarHBondContact O-N 2.99Å; R100-Y104 WeakPolarHBondContact CD-OH 3.5Å; R100-Y104 HydrophobicContact CG-CE1 4.06Å; R100-Y104 HydrophobicContact CG-CE2 3.81Å; R100-Y104 PolarHBondContact NH1-OH 3.04Å; R100-Y104 WeakPolarHBondContact O-CD2 3.4Å; R100-Y104 VanDerWaalsContact O-CG 3.28Å; R100-Y104 PolarHBondContact O-N 3.46Å
101	Q	98.7	Very high	96.9	Very high	21 Å²	21	50.3 Å²	50.3	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-71	-38.7	176.2	-71.2	179.3	73.6	0	0	112.4	N54 S97 F98 I99 L103 Y104 G105 T132 S133 I134	N54-Q101 PolarHBondContact ND2-OE1 3.25Å; S97-Q101 WeakPolarHBondContact O-CG 3.3Å; S97-Q101 PolarHBondContact O-N 2.76Å; S97-Q101 PolarHBondContact O-NE2 3.05Å; F98-Q101 WeakPolarHBondContact O-CB 3.29Å; F98-Q101 PolarHBondContact O-N 3.35Å; I99-Q101 VanDerWaalsContact C-N 3.31Å; I99-Q101 PolarHBondContact O-N 3.31Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.92Å; Q101-Y104 PolarHBondContact O-N 3.25Å; Q101-G105 PolarHBondContact O-N 2.85Å; Q101-G105 VanDerWaalsContact O-N 3.13Å; Q101-T132 PolarHBondContact NE2-O 3.25Å; Q101-T132 PolarHBondContact OE1-O 3.11Å; Q101-S133 VanDerWaalsContact OE1-CA 3.31Å; Q101-I134 HydrophobicContact CB-CD1 4.12Å; Q101-I134 HydrophobicContact CB-CG1 3.46Å; Q101-I134 VanDerWaalsContact CB-CG1 3.46Å; Q101-I134 HydrophobicContact CG-CG1 4.44Å
102	I	98.7	Very high	97.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-47.2	172.2	-60.6	164.5	0	0	0	109.3	F98 I99 Y104 G105 L106 L119 I124 I134 L136 L180 L183	F98-I102 PolarHBondContact O-N 3.13Å; F98-I102 VanDerWaalsContact O-N 3.09Å; I99-I102 HydrophobicContact CD1-CD1 4.1Å; I99-I102 PolarHBondContact O-N 3.33Å; I102-Y104 VanDerWaalsContact C-N 3.28Å; I102-Y104 PolarHBondContact O-N 3.32Å; I102-G105 WeakPolarHBondContact O-CA 3.44Å; I102-G105 PolarHBondContact O-N 3.33Å; I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.32Å; I102-L106 PolarHBondContact O-N 3.46Å; I102-L119 HydrophobicContact CG2-CD1 4.16Å; I102-L119 HydrophobicContact CG2-CD2 4.09Å; I102-I124 HydrophobicContact CD1-CD1 3.57Å; I102-I124 HydrophobicContact CG1-CD1 4.17Å; I102-I124 HydrophobicContact CG1-CG2 4.48Å; I102-I134 HydrophobicContact CG1-CD1 4.14Å; I102-L136 HydrophobicContact CG1-CD2 4.44Å; I102-L136 HydrophobicContact CG2-CD2 4.24Å; I102-L180 HydrophobicContact CB-CD1 4.2Å; I102-L180 HydrophobicContact CD1-CD1 4.44Å; I102-L180 HydrophobicContact CG2-CD1 3.67Å; I102-L183 HydrophobicContact CD1-CD2 3.82Å
103	L	98.8	Very high	97.5	Very high	52 Å²	52	50.5 Å²	50.5	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-36.2	175.8	-78.3	168.2	0	0	0	113	I99 R100 Q101 R107 M177 L180 F228	I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 3.4Å; R100-L103 WeakPolarHBondContact O-CB 3.35Å; R100-L103 PolarHBondContact O-N 2.99Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.92Å; L103-R107 WeakPolarHBondContact O-CB 3.39Å; L103-R107 PolarHBondContact O-N 3.5Å; L103-M177 HydrophobicContact CD2-CE 3.87Å; L103-L180 HydrophobicContact CD1-CD2 4.45Å; L103-L180 HydrophobicContact CD2-CD2 3.33Å; L103-L180 HydrophobicContact CG-CD2 3.76Å; L103-F228 HydrophobicContact CD1-CZ 4.32Å
104	Y	98.8	Very high	97.7	Very high	74 Å²	74	43.1 Å²	43.1	29%	0.29	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-41.2	173.8	-66.1	-28.2	0	0	0	112.2	H52 R100 Q101 I102 R107 H108	H52-Y104 PolarHBondContact CE1-O 3.28Å; R100-Y104 WeakPolarHBondContact CD-OH 3.5Å; R100-Y104 HydrophobicContact CG-CE1 4.06Å; R100-Y104 HydrophobicContact CG-CE2 3.81Å; R100-Y104 PolarHBondContact NH1-OH 3.04Å; R100-Y104 WeakPolarHBondContact O-CD2 3.4Å; R100-Y104 VanDerWaalsContact O-CG 3.28Å; R100-Y104 PolarHBondContact O-N 3.46Å; Q101-Y104 PolarHBondContact O-N 3.25Å; I102-Y104 VanDerWaalsContact C-N 3.28Å; I102-Y104 PolarHBondContact O-N 3.32Å; Y104-R107 VanDerWaalsContact CD1-NH2 3.32Å; Y104-H108 PolarHBondContact O-N 3.31Å; Y104-H108 VanDerWaalsContact O-N 3.11Å
105	G	98.8	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-53.6	172.2	0	0	0	0	0	112.2	Q101 I102 R107 H108 M109	Q101-G105 PolarHBondContact O-N 2.85Å; Q101-G105 VanDerWaalsContact O-N 3.13Å; I102-G105 WeakPolarHBondContact O-CA 3.44Å; I102-G105 PolarHBondContact O-N 3.33Å; G105-R107 PolarHBondContact O-N 3.32Å; G105-H108 WeakPolarHBondContact O-CB 3.29Å; G105-H108 PolarHBondContact O-N 2.99Å; G105-H108 VanDerWaalsContact O-N 3.11Å; G105-M109 PolarHBondContact O-N 3.1Å
106	L	98.8	Very high	98.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-45.5	179.1	-68	-179.9	0	0	0	111.9	I102 H108 M109 H110 H116 L119 L136 D176 M177 L180	I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.32Å; I102-L106 PolarHBondContact O-N 3.46Å; L106-H108 VanDerWaalsContact C-N 3.25Å; L106-H108 PolarHBondContact O-N 3.11Å; L106-M109 PolarHBondContact O-N 2.91Å; L106-M109 VanDerWaalsContact O-N 3.11Å; L106-H110 VanDerWaalsContact O-CB 3.25Å; L106-H110 WeakPolarHBondContact O-CB 2.95Å; L106-H110 PolarHBondContact O-CD2 3.3Å; L106-H110 VanDerWaalsContact O-CD2 3.28Å; L106-H110 PolarHBondContact O-N 3.11Å; L106-H116 HydrophobicContact CD2-CB 4.4Å; L106-L119 HydrophobicContact CD1-CD2 3.99Å; L106-L136 HydrophobicContact CD2-CD1 4.5Å; L106-D176 HydrophobicContact CD1-CB 4.37Å; L106-D176 HydrophobicContact CD2-CB 3.98Å; L106-M177 HydrophobicContact CD1-SD 4.25Å; L106-L180 HydrophobicContact CD1-CB 4.48Å; L106-L180 HydrophobicContact CD1-CD2 4.41Å
107	R	98.7	Very high	98.2	Very high	160 Å²	160	37.7 Å²	37.7	60%	0.604	18%	0.178	S	C	*	.	H	α-helix	trans	-57.1	-40.6	176.1	-178	179.1	64.9	-178.4	-0.5	111.8	L103 Y104 G105 S111	L103-R107 WeakPolarHBondContact O-CB 3.39Å; L103-R107 PolarHBondContact O-N 3.5Å; Y104-R107 VanDerWaalsContact CD1-NH2 3.32Å; G105-R107 PolarHBondContact O-N 3.32Å; R107-S111 VanDerWaalsContact O-CB 3.3Å; R107-S111 WeakPolarHBondContact O-CB 3.14Å; R107-S111 PolarHBondContact O-N 2.87Å; R107-S111 PolarHBondContact O-OG 2.67Å
108	H	98.8	Very high	98.2	Very high	42 Å²	42	36.5 Å²	36.5	19%	0.194	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-49.5	175.9	-176.7	77.1	0	0	0	111.3	V49 H52 I55 Y104 G105 L106 S111 K112	V49-H108 PolarHBondContact O-CD2 3.3Å; V49-H108 PolarHBondContact O-NE2 3.31Å; H52-H108 HydrophobicContact CB-CB 4.49Å; H52-H108 AromaticContact CD2-CG 3.85Å; H52-H108 AromaticContact CD2-ND1 3.87Å; H52-H108 AromaticContact CG-CG 3.91Å; I55-H108 HydrophobicContact CD1-CB 4.34Å; Y104-H108 PolarHBondContact O-N 3.31Å; Y104-H108 VanDerWaalsContact O-N 3.11Å; G105-H108 WeakPolarHBondContact O-CB 3.29Å; G105-H108 PolarHBondContact O-N 2.99Å; G105-H108 VanDerWaalsContact O-N 3.11Å; L106-H108 VanDerWaalsContact C-N 3.25Å; L106-H108 PolarHBondContact O-N 3.11Å; H108-S111 PolarHBondContact O-N 3.4Å; H108-S111 PolarHBondContact O-OG 3.43Å; H108-K112 PolarHBondContact CE1-NZ 3.29Å; H108-K112 PolarHBondContact NE2-NZ 3.36Å
109	M	98.6	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-49.5	178	-63.1	-179.3	66.9	0	0	112	V49 I55 G105 L106 S111 K112 L113 F114 H116 F139	V49-M109 HydrophobicContact CB-CG 4.18Å; V49-M109 HydrophobicContact CG1-CB 4.41Å; V49-M109 HydrophobicContact CG1-CG 4.1Å; V49-M109 HydrophobicContact CG2-CG 4.34Å; I55-M109 HydrophobicContact CD1-CG 3.65Å; I55-M109 HydrophobicContact CD1-SD 4.34Å; G105-M109 PolarHBondContact O-N 3.1Å; L106-M109 PolarHBondContact O-N 2.91Å; L106-M109 VanDerWaalsContact O-N 3.11Å; M109-S111 VanDerWaalsContact C-N 3.29Å; M109-S111 PolarHBondContact O-N 3.06Å; M109-K112 CarbonylContact O-C 3.53Å; M109-K112 WeakPolarHBondContact O-CA 3.4Å; M109-K112 WeakPolarHBondContact O-CB 3.46Å; M109-K112 PolarHBondContact O-N 2.99Å; M109-L113 PolarHBondContact O-N 2.82Å; M109-F114 CarbonylContact C-O 3.52Å; M109-F114 HydrophobicContact CB-CB 4.22Å; M109-F114 WeakPolarHBondContact CB-O 3.39Å; M109-F114 HydrophobicContact CE-CB 4.28Å; M109-F114 PolarHBondContact O-N 2.82Å; M109-H116 HydrophobicContact CE-CB 4.01Å; M109-H116 HydrophobicContact SD-CB 4.27Å; M109-F139 HydrophobicContact CE-CD1 3.93Å; M109-F139 HydrophobicContact CE-CE1 3.55Å; M109-F139 HydrophobicContact SD-CE1 3.64Å; M109-F139 HydrophobicContact SD-CZ 4.34Å
110	H	98.2	Very high	98.1	Very high	32 Å²	32	37.2 Å²	37.2	15%	0.148	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-34.7	-176.8	-70.1	-169.3	0	0	0	111.7	L106 K112 L113 F114 L173 D176	L106-H110 VanDerWaalsContact O-CB 3.25Å; L106-H110 WeakPolarHBondContact O-CB 2.95Å; L106-H110 PolarHBondContact O-CD2 3.3Å; L106-H110 VanDerWaalsContact O-CD2 3.28Å; L106-H110 PolarHBondContact O-N 3.11Å; H110-K112 PolarHBondContact O-N 3.08Å; H110-K112 VanDerWaalsContact O-N 3.15Å; H110-L113 WeakPolarHBondContact O-CA 3.37Å; H110-L113 PolarHBondContact O-N 2.91Å; H110-F114 PolarHBondContact CD2-O 3.17Å; H110-F114 VanDerWaalsContact CD2-O 3.27Å; H110-L173 HydrophobicContact CB-CD1 3.97Å; H110-L173 PolarHBondContact CE1-O 2.76Å; H110-D176 IonicContact CD2-OD2 2.74Å; H110-D176 IonicContact CE1-OD2 3.71Å; H110-D176 IonicContact NE2-OD2 2.88Å; H110-D176 PolarHBondContact NE2-OD2 2.97Å
111	S	97.9	Very high	97.9	Very high	87 Å²	87	32.5 Å²	32.5	61%	0.608	16%	0.156	S	C	*	.	H	α-helix	trans	-61.1	-22.1	173.5	76.4	0	0	0	0	113.6	R107 H108 M109	R107-S111 VanDerWaalsContact O-CB 3.3Å; R107-S111 WeakPolarHBondContact O-CB 3.14Å; R107-S111 PolarHBondContact O-N 2.87Å; R107-S111 PolarHBondContact O-OG 2.67Å; H108-S111 PolarHBondContact O-N 3.4Å; H108-S111 PolarHBondContact O-OG 3.43Å; M109-S111 VanDerWaalsContact C-N 3.29Å; M109-S111 PolarHBondContact O-N 3.06Å
112	K	98	Very high	97.6	Very high	69 Å²	69	35.3 Å²	35.3	30%	0.3	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	8.4	176.3	-64.8	176	177.3	174.3	0	112.5	E48 V49 H108 M109 H110 F114	E48-K112 WeakPolarHBondContact O-CD 3.41Å; E48-K112 PolarHBondContact O-NZ 3.16Å; V49-K112 HydrophobicContact CG1-CD 4.39Å; H108-K112 PolarHBondContact CE1-NZ 3.29Å; H108-K112 PolarHBondContact NE2-NZ 3.36Å; M109-K112 CarbonylContact O-C 3.53Å; M109-K112 WeakPolarHBondContact O-CA 3.4Å; M109-K112 WeakPolarHBondContact O-CB 3.46Å; M109-K112 PolarHBondContact O-N 2.99Å; H110-K112 PolarHBondContact O-N 3.08Å; H110-K112 VanDerWaalsContact O-N 3.15Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 HydrophobicContact CB-CD2 3.72Å; K112-F114 HydrophobicContact CB-CE2 4.18Å; K112-F114 PolarHBondContact O-N 3.23Å
113	L	97.5	Very high	97.5	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.325	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	26.8	-176.8	-49.8	173.3	0	0	0	113.5	M109 H110 K144 I145 P146 L173	M109-L113 PolarHBondContact O-N 2.82Å; H110-L113 WeakPolarHBondContact O-CA 3.37Å; H110-L113 PolarHBondContact O-N 2.91Å; L113-K144 HydrophobicContact CB-CG 4.19Å; L113-K144 CarbonylContact O-C 3.33Å; L113-K144 VanDerWaalsContact O-CA 3.25Å; L113-K144 WeakPolarHBondContact O-CA 3.48Å; L113-K144 WeakPolarHBondContact O-CG 3.49Å; L113-I145 PolarHBondContact O-N 2.83Å; L113-P146 HydrophobicContact CD1-CB 4.39Å; L113-L173 HydrophobicContact CD2-CD1 4.28Å
114	F	98.2	Very high	97.4	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137	171.5	-73.1	-79.7	0	0	0	110.6	V45 E48 V49 M109 H110 K112 R143 K144	V45-F114 HydrophobicContact CB-CD1 4.41Å; V45-F114 HydrophobicContact CB-CE1 4.39Å; V45-F114 HydrophobicContact CG1-CD1 4.24Å; V45-F114 HydrophobicContact CG2-CD1 3.73Å; V45-F114 HydrophobicContact CG2-CE1 3.69Å; E48-F114 HydrophobicContact CB-CD2 4.4Å; E48-F114 HydrophobicContact CB-CE2 3.55Å; E48-F114 HydrophobicContact CB-CZ 3.88Å; E48-F114 HydrophobicContact CG-CE2 3.94Å; E48-F114 HydrophobicContact CG-CZ 3.92Å; V49-F114 HydrophobicContact CG1-CB 4.12Å; V49-F114 HydrophobicContact CG1-CD2 3.72Å; V49-F114 HydrophobicContact CG1-CE2 4.42Å; V49-F114 HydrophobicContact CG1-CG 4.06Å; M109-F114 CarbonylContact C-O 3.52Å; M109-F114 HydrophobicContact CB-CB 4.22Å; M109-F114 WeakPolarHBondContact CB-O 3.39Å; M109-F114 HydrophobicContact CE-CB 4.28Å; M109-F114 PolarHBondContact O-N 2.82Å; H110-F114 PolarHBondContact CD2-O 3.17Å; H110-F114 VanDerWaalsContact CD2-O 3.27Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 HydrophobicContact CB-CD2 3.72Å; K112-F114 HydrophobicContact CB-CE2 4.18Å; K112-F114 PolarHBondContact O-N 3.23Å; F114-R143 WeakPolarHBondContact CA-O 3.43Å; F114-R143 VanDerWaalsContact CD1-C 3.5Å; F114-K144 HydrophobicContact CD1-CB 4.01Å; F114-K144 HydrophobicContact CD1-CG 4.49Å; F114-K144 HydrophobicContact CE1-CB 3.76Å; F114-K144 HydrophobicContact CE1-CG 4.29Å; F114-K144 HydrophobicContact CZ-CB 4.29Å; F114-K144 HydrophobicContact CZ-CD 4.25Å; F114-K144 HydrophobicContact CZ-CG 4.39Å
115	A	97.7	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.2	167.6	0	0	0	0	0	110.5	L117 S142 R143 I145 L173 D176	A115-L117 HydrophobicContact CB-CD2 3.67Å; A115-L117 HydrophobicContact CB-CG 3.86Å; A115-S142 WeakPolarHBondContact O-CA 3.22Å; A115-S142 VanDerWaalsContact O-CB 3.24Å; A115-S142 WeakPolarHBondContact O-CB 3.5Å; A115-R143 PolarHBondContact N-O 3.4Å; A115-R143 PolarHBondContact O-N 2.93Å; A115-R143 VanDerWaalsContact O-N 3.11Å; A115-I145 HydrophobicContact CB-CD1 3.54Å; A115-I145 HydrophobicContact CB-CG1 4.06Å; A115-L173 HydrophobicContact CB-CD2 4.09Å; A115-D176 VanDerWaalsContact CA-OD2 3.25Å; A115-D176 WeakPolarHBondContact CA-OD2 3.43Å
116	H	98	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-77.1	-49.5	177.5	-168.7	-86.3	0	0	0	111.8	L106 M109 D118 L119 I137 D138 F139 S142 D176	L106-H116 HydrophobicContact CD2-CB 4.4Å; M109-H116 HydrophobicContact CE-CB 4.01Å; M109-H116 HydrophobicContact SD-CB 4.27Å; H116-D118 PolarHBondContact CE1-O 2.83Å; H116-D118 PolarHBondContact ND1-N 3.19Å; H116-D118 PolarHBondContact ND1-O 3.05Å; H116-D118 PolarHBondContact O-N 3.04Å; H116-D118 VanDerWaalsContact O-N 3.17Å; H116-L119 PolarHBondContact ND1-N 3.39Å; H116-I137 PolarHBondContact NE2-O 3.31Å; H116-I137 VanDerWaalsContact NE2-O 3.11Å; H116-D138 PolarHBondContact CE1-O 3.45Å; H116-D138 VanDerWaalsContact CE1-O 3.25Å; H116-D138 PolarHBondContact NE2-O 3.22Å; H116-F139 AromaticContact CD2-CE1 3.89Å; H116-S142 WeakPolarHBondContact CA-OG 3.45Å; H116-S142 VanDerWaalsContact O-CA 3.3Å; H116-S142 WeakPolarHBondContact O-CA 3.35Å; H116-S142 PolarHBondContact O-N 2.85Å; H116-S142 PolarHBondContact O-OG 3.29Å; H116-D176 VanDerWaalsContact N-CG 3.34Å; H116-D176 PolarHBondContact N-OD1 2.8Å; H116-D176 VanDerWaalsContact N-OD1 3.11Å; H116-D176 PolarHBondContact N-OD2 3.34Å
117	L	97.3	Very high	96.8	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	16%	0.164	C	C	.	.	S	Bend	trans	66.5	-3.9	177.7	-52.9	-179.2	0	0	0	117.2	A115 L141 R143 I145 M155 M171 T175 D176	A115-L117 HydrophobicContact CB-CD2 3.67Å; A115-L117 HydrophobicContact CB-CG 3.86Å; L117-L141 HydrophobicContact CB-CB 4.2Å; L117-R143 HydrophobicContact CD1-CG 3.77Å; L117-I145 HydrophobicContact CD1-CD1 4.23Å; L117-I145 HydrophobicContact CD2-CD1 4.07Å; L117-M155 HydrophobicContact CB-SD 4.13Å; L117-M155 HydrophobicContact CD1-SD 3.68Å; L117-M171 HydrophobicContact CD1-SD 4.19Å; L117-M171 HydrophobicContact CD2-SD 3.92Å; L117-T175 HydrophobicContact CD2-CG2 3.96Å; L117-D176 PolarHBondContact N-OD1 3.45Å
118	D	96.7	Very high	96.5	Very high	14 Å²	14	32.5 Å²	32.5	8%	0.075	16%	0.162	C	C	.	.			trans	-134.8	46.2	169.4	-156.5	32.3	0	0	0	112	H116 K120 N123 L141 T157	H116-D118 PolarHBondContact CE1-O 2.83Å; H116-D118 PolarHBondContact ND1-N 3.19Å; H116-D118 PolarHBondContact ND1-O 3.05Å; H116-D118 PolarHBondContact O-N 3.04Å; H116-D118 VanDerWaalsContact O-N 3.17Å; D118-K120 PolarHBondContact O-N 3.17Å; D118-K120 IonicContact OD1-NZ 2.86Å; D118-K120 WeakPolarHBondContact OD2-CE 3.48Å; D118-K120 IonicContact OD2-NZ 3.53Å; D118-K120 PolarHBondContact OD2-NZ 2.91Å; D118-N123 PolarHBondContact O-ND2 2.88Å; D118-N123 PolarHBondContact OD2-ND2 3.27Å; D118-L141 HydrophobicContact CB-CB 4.43Å; D118-L141 HydrophobicContact CB-CD1 3.98Å; D118-L141 HydrophobicContact CB-CG 4.38Å; D118-T157 PolarHBondContact OD1-N 2.88Å; D118-T157 PolarHBondContact OD1-OG1 3.27Å; D118-T157 VanDerWaalsContact OD1-OG1 3.14Å
119	L	97.3	Very high	95.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.181	C	C	.	.			trans	-75.6	113.8	178.9	-171.7	72.5	0	0	0	109.9	I102 L106 H116 I124 L136 A179 L180 L183	I102-L119 HydrophobicContact CG2-CD1 4.16Å; I102-L119 HydrophobicContact CG2-CD2 4.09Å; L106-L119 HydrophobicContact CD1-CD2 3.99Å; H116-L119 PolarHBondContact ND1-N 3.39Å; L119-I124 HydrophobicContact CD1-CD1 4.49Å; L119-I124 HydrophobicContact CD1-CG1 4.44Å; L119-L136 HydrophobicContact CD1-CD2 3.91Å; L119-A179 HydrophobicContact CB-CB 3.93Å; L119-A179 HydrophobicContact CD2-CB 4.43Å; L119-L180 HydrophobicContact CD2-CB 4.13Å; L119-L180 HydrophobicContact CD2-CD1 4.42Å; L119-L183 HydrophobicContact CG-CD1 4.3Å
120	K	95.3	Very high	95	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.135	22%	0.219	C	C	.	.	S	Bend	trans	-155.6	164.2	-175.9	63.7	-174.1	-169.9	-151.5	0	110.8	D118 E122 N123 T157 F160	D118-K120 PolarHBondContact O-N 3.17Å; D118-K120 IonicContact OD1-NZ 2.86Å; D118-K120 WeakPolarHBondContact OD2-CE 3.48Å; D118-K120 IonicContact OD2-NZ 3.53Å; D118-K120 PolarHBondContact OD2-NZ 2.91Å; K120-E122 VanDerWaalsContact C-N 3.26Å; K120-E122 WeakPolarHBondContact CB-OE2 3.49Å; K120-E122 VanDerWaalsContact CD-OE2 3.25Å; K120-E122 WeakPolarHBondContact CD-OE2 3.4Å; K120-E122 HydrophobicContact CG-CB 4.45Å; K120-E122 WeakPolarHBondContact CG-OE2 3.33Å; K120-E122 PolarHBondContact O-N 3.05Å; K120-N123 HydrophobicContact CG-CB 4.12Å; K120-N123 PolarHBondContact O-N 3.16Å; K120-T157 HydrophobicContact CD-CG2 4.37Å; K120-T157 WeakPolarHBondContact CD-OG1 3.39Å; K120-T157 PolarHBondContact NZ-OG1 3.02Å; K120-F160 HydrophobicContact CB-CD2 3.68Å; K120-F160 HydrophobicContact CB-CE2 3.74Å; K120-F160 HydrophobicContact CB-CG 4.14Å; K120-F160 HydrophobicContact CB-CZ 4.28Å
121	P	94.2	Very high	94.6	Very high	17 Å²	17	41.4 Å²	41.4	11%	0.11	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-46.7	-45.1	-179.7	-35.2	40.2	0	0	0	114.9	F81 N123 I124 F160	F81-P121 HydrophobicContact CB-CB 4.08Å; F81-P121 HydrophobicContact CD1-CB 4.24Å; F81-P121 HydrophobicContact CD1-CG 4.22Å; F81-P121 HydrophobicContact CD2-CB 3.47Å; F81-P121 VanDerWaalsContact CD2-CB 3.47Å; F81-P121 HydrophobicContact CD2-CG 3.99Å; F81-P121 HydrophobicContact CE1-CG 4.21Å; F81-P121 HydrophobicContact CE2-CB 3.91Å; F81-P121 HydrophobicContact CE2-CG 3.97Å; F81-P121 HydrophobicContact CG-CB 3.66Å; F81-P121 HydrophobicContact CG-CG 4.12Å; F81-P121 HydrophobicContact CZ-CB 4.47Å; F81-P121 HydrophobicContact CZ-CG 4.09Å; P121-N123 PolarHBondContact O-N 3.33Å; P121-I124 PolarHBondContact O-N 3.29Å; P121-I124 VanDerWaalsContact O-N 3.15Å; P121-F160 HydrophobicContact CG-CE1 4.48Å; P121-F160 HydrophobicContact CG-CZ 3.85Å
122	E	93.1	Very high	94.3	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-65.6	-25.1	-176.5	-56	86.7	165.9	0	0	112.2	K120 I124	K120-E122 VanDerWaalsContact C-N 3.26Å; K120-E122 WeakPolarHBondContact CB-OE2 3.49Å; K120-E122 VanDerWaalsContact CD-OE2 3.25Å; K120-E122 WeakPolarHBondContact CD-OE2 3.4Å; K120-E122 HydrophobicContact CG-CB 4.45Å; K120-E122 WeakPolarHBondContact CG-OE2 3.33Å; K120-E122 PolarHBondContact O-N 3.05Å; E122-I124 VanDerWaalsContact C-N 3.34Å
123	N	96.1	Very high	94.3	Very high	8 Å²	8	40 Å²	40	4%	0.043	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-94	10.9	-178.8	-70.2	-13.2	0	0	0	113.2	D118 K120 P121 I137 D138	D118-N123 PolarHBondContact O-ND2 2.88Å; D118-N123 PolarHBondContact OD2-ND2 3.27Å; K120-N123 HydrophobicContact CG-CB 4.12Å; K120-N123 PolarHBondContact O-N 3.16Å; P121-N123 PolarHBondContact O-N 3.33Å; N123-I137 HydrophobicContact CB-CG1 4.3Å; N123-I137 WeakPolarHBondContact O-CG1 3.37Å; N123-I137 PolarHBondContact O-N 3.37Å; N123-D138 WeakPolarHBondContact OD1-CB 3.13Å
124	I	97.1	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	104.9	175.3	-55.2	165.8	0	0	0	109.1	L80 F81 I102 L119 P121 E122 I134 L136 L183	L80-I124 HydrophobicContact CB-CB 4.41Å; L80-I124 HydrophobicContact CB-CG2 3.9Å; L80-I124 WeakPolarHBondContact CB-O 3.25Å; L80-I124 HydrophobicContact CD2-CG2 3.72Å; L80-I124 HydrophobicContact CG-CG2 4.47Å; L80-I124 PolarHBondContact N-O 3.42Å; F81-I124 HydrophobicContact CE2-CD1 4.34Å; I102-I124 HydrophobicContact CD1-CD1 3.57Å; I102-I124 HydrophobicContact CG1-CD1 4.17Å; I102-I124 HydrophobicContact CG1-CG2 4.48Å; L119-I124 HydrophobicContact CD1-CD1 4.49Å; L119-I124 HydrophobicContact CD1-CG1 4.44Å; P121-I124 PolarHBondContact O-N 3.29Å; P121-I124 VanDerWaalsContact O-N 3.15Å; E122-I124 VanDerWaalsContact C-N 3.34Å; I124-I134 HydrophobicContact CG2-CB 4.06Å; I124-I134 HydrophobicContact CG2-CD1 4.4Å; I124-I134 HydrophobicContact CG2-CG2 4.22Å; I124-L136 HydrophobicContact CG1-CD2 3.96Å; I124-L183 HydrophobicContact CD1-CD1 3.36Å; I124-L183 HydrophobicContact CD1-CD2 3.67Å; I124-L183 HydrophobicContact CD1-CG 4.12Å
125	M	95.8	Very high	94.3	Very high	31 Å²	31	37.3 Å²	37.3	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	151.6	-177.9	-71.3	-162.2	75.6	0	0	112.6	V75 G78 I134 K135 I137	V75-M125 HydrophobicContact CB-SD 4.39Å; V75-M125 HydrophobicContact CG1-CB 3.42Å; V75-M125 VanDerWaalsContact CG1-CB 3.42Å; V75-M125 HydrophobicContact CG1-CE 4.2Å; V75-M125 HydrophobicContact CG1-CG 4.36Å; V75-M125 HydrophobicContact CG1-SD 4.04Å; G78-M125 CarbonylContact O-C 3.56Å; G78-M125 WeakPolarHBondContact O-CA 3.49Å; M125-I134 CarbonylContact O-C 3.45Å; M125-I134 VanDerWaalsContact O-CA 3.22Å; M125-I134 WeakPolarHBondContact O-CA 3.46Å; M125-K135 PolarHBondContact N-O 3.45Å; M125-K135 PolarHBondContact O-N 3.31Å; M125-I137 HydrophobicContact CB-CG2 4.4Å; M125-I137 HydrophobicContact CG-CD1 3.75Å; M125-I137 HydrophobicContact CG-CG1 4.21Å; M125-I137 HydrophobicContact CG-CG2 4.34Å; M125-I137 HydrophobicContact SD-CD1 3.65Å; M125-I137 HydrophobicContact SD-CG2 4.42Å
126	L	95.3	Very high	94.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.8	167.1	-68	175.2	0	0	0	110.3	V75 G77 G78 L80 Y83 F98 K128 S131 I134	V75-L126 WeakPolarHBondContact CG1-O 3.44Å; G77-L126 WeakPolarHBondContact CA-O 3.48Å; G77-L126 PolarHBondContact N-O 3.09Å; G78-L126 PolarHBondContact O-N 2.96Å; L80-L126 HydrophobicContact CD1-CD2 3.98Å; L80-L126 HydrophobicContact CD1-CG 4.46Å; Y83-L126 HydrophobicContact CD1-CD1 3.83Å; Y83-L126 HydrophobicContact CD2-CD1 3.92Å; Y83-L126 HydrophobicContact CG-CD1 3.5Å; Y83-L126 VanDerWaalsContact CG-CD1 3.5Å; F98-L126 HydrophobicContact CE1-CD2 4.19Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 2.83Å; L126-S131 WeakPolarHBondContact CD2-O 3.46Å; L126-I134 HydrophobicContact CD2-CG2 4.09Å
127	Q	93.6	Very high	94.2	Very high	58 Å²	58	38.7 Å²	38.7	27%	0.271	21%	0.21	S	C	.	.	S	Bend	trans	-57.2	-42.1	-177.2	-168.5	-179.3	-21.8	0	0	112.6	S76 S133 K135	S76-Q127 PolarHBondContact N-O 3.13Å; S76-Q127 VanDerWaalsContact N-O 3.17Å; Q127-S133 PolarHBondContact N-O 3.25Å; Q127-K135 HydrophobicContact CB-CG 4.48Å
128	K	91.6	Very high	94	Very high	130 Å²	130	41.5 Å²	41.5	57%	0.565	23%	0.225	S	C	*	.	S	Bend	trans	-149.4	161.1	-179.8	-60.7	-176.9	-176.9	180	0	109.5	L126 N130 S131	L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 2.83Å; K128-N130 PolarHBondContact O-N 2.98Å; K128-S131 WeakPolarHBondContact O-CB 3.3Å; K128-S131 PolarHBondContact O-N 3.15Å
129	S	85.2	Confident	94	Very high	84 Å²	84	40.9 Å²	40.9	59%	0.587	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136	171.4	-43.2	0	0	0	0	110.3	S131	S129-S131 PolarHBondContact O-N 3.23Å
130	N	81.1	Confident	93.8	Very high	150 Å²	150	41.7 Å²	41.7	80%	0.802	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.4	-176.2	-49.9	-37.7	0	0	0	115.7	K128	K128-N130 PolarHBondContact O-N 2.98Å
131	S	89.6	Confident	93.7	Very high	27 Å²	27	42.4 Å²	42.4	19%	0.189	24%	0.235	C	C	.	.			trans	-83.6	149.6	169.1	-174.3	0	0	0	0	110.3	L126 K128 S129 S133	L126-S131 WeakPolarHBondContact CD2-O 3.46Å; K128-S131 WeakPolarHBondContact O-CB 3.3Å; K128-S131 PolarHBondContact O-N 3.15Å; S129-S131 PolarHBondContact O-N 3.23Å; S131-S133 WeakPolarHBondContact OG-CB 3.16Å; S131-S133 PolarHBondContact OG-N 2.99Å
132	T	92.8	Very high	93.9	Very high	81 Å²	81	41.6 Å²	41.6	50%	0.497	23%	0.23	S	C	.	.			trans	-100.6	2.8	166.4	60	0	0	0	0	112.4	F98 Q101	F98-T132 WeakPolarHBondContact CE1-O 3.28Å; Q101-T132 PolarHBondContact NE2-O 3.25Å; Q101-T132 PolarHBondContact OE1-O 3.11Å
133	S	97	Very high	94.1	Very high	45 Å²	45	39.7 Å²	39.7	32%	0.315	22%	0.219	S	C	.	.			trans	-82.1	124.6	176.4	-59.8	0	0	0	0	110.5	Q101 Q127 S131	Q101-S133 VanDerWaalsContact OE1-CA 3.31Å; Q127-S133 PolarHBondContact N-O 3.25Å; S131-S133 WeakPolarHBondContact OG-CB 3.16Å; S131-S133 PolarHBondContact OG-N 2.99Å
134	I	97.6	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	154.9	177.1	69.9	92.1	0	0	0	111.8	N54 L80 F98 Q101 I102 I124 M125 L126 L136	N54-I134 WeakPolarHBondContact CA-O 3.41Å; N54-I134 HydrophobicContact CB-CD1 4.01Å; N54-I134 PolarHBondContact ND2-O 3.22Å; L80-I134 HydrophobicContact CD1-CG2 4.36Å; L80-I134 HydrophobicContact CD2-CG2 4.2Å; F98-I134 HydrophobicContact CD1-CG2 3.69Å; F98-I134 HydrophobicContact CE1-CG2 4.22Å; Q101-I134 HydrophobicContact CB-CD1 4.12Å; Q101-I134 HydrophobicContact CB-CG1 3.46Å; Q101-I134 VanDerWaalsContact CB-CG1 3.46Å; Q101-I134 HydrophobicContact CG-CG1 4.44Å; I102-I134 HydrophobicContact CG1-CD1 4.14Å; I124-I134 HydrophobicContact CG2-CB 4.06Å; I124-I134 HydrophobicContact CG2-CD1 4.4Å; I124-I134 HydrophobicContact CG2-CG2 4.22Å; M125-I134 CarbonylContact O-C 3.45Å; M125-I134 VanDerWaalsContact O-CA 3.22Å; M125-I134 WeakPolarHBondContact O-CA 3.46Å; L126-I134 HydrophobicContact CD2-CG2 4.09Å; I134-L136 HydrophobicContact CD1-CD2 4.12Å; I134-L136 HydrophobicContact CD1-CG 4.33Å
135	K	97.9	Very high	94	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.8	169.1	-72	-78.7	179.7	163.3	0	108.6	A53 I55 E73 V75 M125 Q127	A53-K135 WeakPolarHBondContact O-CE 3.48Å; A53-K135 PolarHBondContact O-NZ 3.46Å; I55-K135 WeakPolarHBondContact O-CD 3.43Å; I55-K135 PolarHBondContact O-NZ 2.81Å; E73-K135 VanDerWaalsContact CD-NZ 3.26Å; E73-K135 WeakPolarHBondContact OE1-CE 3.41Å; E73-K135 IonicContact OE1-NZ 3.22Å; E73-K135 PolarHBondContact OE1-NZ 3.27Å; E73-K135 WeakPolarHBondContact OE2-CE 3.35Å; E73-K135 IonicContact OE2-NZ 3.14Å; E73-K135 PolarHBondContact OE2-NZ 3.47Å; V75-K135 HydrophobicContact CG1-CB 4.23Å; V75-K135 HydrophobicContact CG1-CG 4.49Å; V75-K135 HydrophobicContact CG2-CB 4.06Å; V75-K135 HydrophobicContact CG2-CG 4.01Å; M125-K135 PolarHBondContact N-O 3.45Å; M125-K135 PolarHBondContact O-N 3.31Å; Q127-K135 HydrophobicContact CB-CG 4.48Å
136	L	98.4	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.7	163.2	-57.7	-177.7	0	0	0	108.5	N54 I56 I102 L106 L119 I124 I134 F139	N54-L136 WeakPolarHBondContact O-CG 3.15Å; N54-L136 PolarHBondContact O-N 3.11Å; I56-L136 PolarHBondContact N-O 3.22Å; I102-L136 HydrophobicContact CG1-CD2 4.44Å; I102-L136 HydrophobicContact CG2-CD2 4.24Å; L106-L136 HydrophobicContact CD2-CD1 4.5Å; L119-L136 HydrophobicContact CD1-CD2 3.91Å; I124-L136 HydrophobicContact CG1-CD2 3.96Å; I134-L136 HydrophobicContact CD1-CD2 4.12Å; I134-L136 HydrophobicContact CD1-CG 4.33Å; L136-F139 HydrophobicContact CB-CZ 4.26Å
137	I	95.9	Very high	93.5	Very high	29 Å²	29	51.8 Å²	51.8	15%	0.149	29%	0.289	C	S	.	.			trans	-128.3	174	-179.3	67.8	156.2	0	0	0	110.3	I56 H116 N123 M125	I56-I137 HydrophobicContact CB-CG2 4.23Å; I56-I137 HydrophobicContact CD1-CG2 3.98Å; H116-I137 PolarHBondContact NE2-O 3.31Å; H116-I137 VanDerWaalsContact NE2-O 3.11Å; N123-I137 HydrophobicContact CB-CG1 4.3Å; N123-I137 WeakPolarHBondContact O-CG1 3.37Å; N123-I137 PolarHBondContact O-N 3.37Å; M125-I137 HydrophobicContact CB-CG2 4.4Å; M125-I137 HydrophobicContact CG-CD1 3.75Å; M125-I137 HydrophobicContact CG-CG1 4.21Å; M125-I137 HydrophobicContact CG-CG2 4.34Å; M125-I137 HydrophobicContact SD-CD1 3.65Å; M125-I137 HydrophobicContact SD-CG2 4.42Å
138	D	93.1	Very high	93.1	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	32%	0.317	S	S	.	.			trans	57.6	87.6	179	-164.5	-10.9	0	0	0	114.4	H116 N123 G140	H116-D138 PolarHBondContact CE1-O 3.45Å; H116-D138 VanDerWaalsContact CE1-O 3.25Å; H116-D138 PolarHBondContact NE2-O 3.22Å; N123-D138 WeakPolarHBondContact OD1-CB 3.13Å; D138-G140 VanDerWaalsContact C-N 3.33Å; D138-G140 PolarHBondContact OD1-N 3.09Å; D138-G140 VanDerWaalsContact OD1-N 3.1Å
139	F	95.8	Very high	92.8	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	30%	0.3	C	S	.	.			trans	-98.8	17.1	179.5	-70.6	-103	0	0	0	111.7	E42 V45 L46 V49 I55 I56 M109 H116 L136 L141 S142	E42-F139 HydrophobicContact CG-CB 4.17Å; V45-F139 HydrophobicContact CG1-CB 4.35Å; V45-F139 HydrophobicContact CG1-CD1 3.66Å; V45-F139 HydrophobicContact CG1-CE1 4.48Å; V45-F139 HydrophobicContact CG1-CG 4.39Å; L46-F139 HydrophobicContact CD2-CB 4.18Å; L46-F139 HydrophobicContact CD2-CD2 3.65Å; L46-F139 HydrophobicContact CD2-CE2 4.24Å; L46-F139 HydrophobicContact CD2-CG 3.89Å; L46-F139 HydrophobicContact CG-CB 4.26Å; L46-F139 HydrophobicContact CG-CG 4.45Å; V49-F139 HydrophobicContact CG2-CD1 4.25Å; V49-F139 HydrophobicContact CG2-CE1 3.84Å; I55-F139 HydrophobicContact CB-CZ 4.45Å; I55-F139 HydrophobicContact CG1-CZ 4.39Å; I55-F139 HydrophobicContact CG2-CE1 4.2Å; I55-F139 HydrophobicContact CG2-CE2 4.07Å; I55-F139 HydrophobicContact CG2-CZ 3.52Å; I56-F139 HydrophobicContact CG2-CD2 4.08Å; I56-F139 HydrophobicContact CG2-CE2 3.79Å; M109-F139 HydrophobicContact CE-CD1 3.93Å; M109-F139 HydrophobicContact CE-CE1 3.55Å; M109-F139 HydrophobicContact SD-CE1 3.64Å; M109-F139 HydrophobicContact SD-CZ 4.34Å; H116-F139 AromaticContact CD2-CE1 3.89Å; L136-F139 HydrophobicContact CB-CZ 4.26Å; F139-L141 PolarHBondContact O-N 3.03Å; F139-S142 WeakPolarHBondContact CA-OG 3.02Å; F139-S142 WeakPolarHBondContact CD1-OG 3.22Å; F139-S142 WeakPolarHBondContact O-CB 3.45Å; F139-S142 PolarHBondContact O-N 3.44Å
140	G	92.8	Very high	92.8	Very high	18 Å²	18	52.6 Å²	52.6	19%	0.186	31%	0.305	C	S	.	.	S	Bend	trans	-60	-30.1	-175.2	0	0	0	0	0	113.3	R41 D138	R41-G140 VanDerWaalsContact CZ-O 3.25Å; R41-G140 PolarHBondContact NH1-O 3.03Å; R41-G140 PolarHBondContact NH2-O 2.91Å; D138-G140 VanDerWaalsContact C-N 3.33Å; D138-G140 PolarHBondContact OD1-N 3.09Å; D138-G140 VanDerWaalsContact OD1-N 3.1Å
141	L	94.8	Very high	93.3	Very high	47 Å²	47	47.2 Å²	47.2	25%	0.246	28%	0.277	C	S	.	.	S	Bend	trans	-95.9	-15.7	174.9	-62.1	-167.8	0	0	0	114.1	R41 L117 D118 F139 R143 M155	R41-L141 PolarHBondContact NH1-O 3.23Å; L117-L141 HydrophobicContact CB-CB 4.2Å; D118-L141 HydrophobicContact CB-CB 4.43Å; D118-L141 HydrophobicContact CB-CD1 3.98Å; D118-L141 HydrophobicContact CB-CG 4.38Å; F139-L141 PolarHBondContact O-N 3.03Å; L141-R143 PolarHBondContact O-NE 3.29Å; L141-R143 PolarHBondContact O-NH2 2.79Å; L141-M155 HydrophobicContact CB-SD 4.16Å; L141-M155 HydrophobicContact CD1-CB 3.95Å; L141-M155 HydrophobicContact CD1-CG 4.04Å; L141-M155 HydrophobicContact CD1-SD 4.32Å; L141-M155 HydrophobicContact CD2-SD 4.47Å
142	S	97.1	Very high	93.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.286	C	S	.	.			trans	-63.7	145.3	-172.3	-56.3	0	0	0	0	113.2	R41 V45 A115 H116 F139	R41-S142 PolarHBondContact NH1-O 3.41Å; V45-S142 WeakPolarHBondContact CG2-O 3.33Å; A115-S142 WeakPolarHBondContact O-CA 3.22Å; A115-S142 VanDerWaalsContact O-CB 3.24Å; A115-S142 WeakPolarHBondContact O-CB 3.5Å; H116-S142 WeakPolarHBondContact CA-OG 3.45Å; H116-S142 VanDerWaalsContact O-CA 3.3Å; H116-S142 WeakPolarHBondContact O-CA 3.35Å; H116-S142 PolarHBondContact O-N 2.85Å; H116-S142 PolarHBondContact O-OG 3.29Å; F139-S142 WeakPolarHBondContact CA-OG 3.02Å; F139-S142 WeakPolarHBondContact CD1-OG 3.22Å; F139-S142 WeakPolarHBondContact O-CB 3.45Å; F139-S142 PolarHBondContact O-N 3.44Å
143	R	96.8	Very high	93.4	Very high	41 Å²	41	49.7 Å²	49.7	16%	0.155	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.9	-176.6	63.9	-161.8	65.5	-164.2	3.4	112.4	F114 A115 L117 L141 I145 M155	F114-R143 WeakPolarHBondContact CA-O 3.43Å; F114-R143 VanDerWaalsContact CD1-C 3.5Å; A115-R143 PolarHBondContact N-O 3.4Å; A115-R143 PolarHBondContact O-N 2.93Å; A115-R143 VanDerWaalsContact O-N 3.11Å; L117-R143 HydrophobicContact CD1-CG 3.77Å; L141-R143 PolarHBondContact O-NE 3.29Å; L141-R143 PolarHBondContact O-NH2 2.79Å; R143-I145 HydrophobicContact CG-CD1 4.44Å; R143-I145 HydrophobicContact CG-CG1 4.06Å; R143-M155 PolarHBondContact NH2-SD 3.37Å; R143-M155 VanDerWaalsContact NH2-SD 3.43Å
144	K	96.7	Very high	93.2	Very high	109 Å²	109	51.3 Å²	51.3	47%	0.474	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.2	173.9	-155.2	169.1	-170.5	166	0	110.1	L113 F114	L113-K144 HydrophobicContact CB-CG 4.19Å; L113-K144 CarbonylContact O-C 3.33Å; L113-K144 VanDerWaalsContact O-CA 3.25Å; L113-K144 WeakPolarHBondContact O-CA 3.48Å; L113-K144 WeakPolarHBondContact O-CG 3.49Å; F114-K144 HydrophobicContact CD1-CB 4.01Å; F114-K144 HydrophobicContact CD1-CG 4.49Å; F114-K144 HydrophobicContact CE1-CB 3.76Å; F114-K144 HydrophobicContact CE1-CG 4.29Å; F114-K144 HydrophobicContact CZ-CB 4.29Å; F114-K144 HydrophobicContact CZ-CD 4.25Å; F114-K144 HydrophobicContact CZ-CG 4.39Å
145	I	95.5	Very high	93	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	29%	0.29	C	S	.	.			trans	-125.3	82.3	178.2	-55.7	-169.3	0	0	0	108.3	L113 A115 L117 R143 M171 L173	L113-I145 PolarHBondContact O-N 2.83Å; A115-I145 HydrophobicContact CB-CD1 3.54Å; A115-I145 HydrophobicContact CB-CG1 4.06Å; L117-I145 HydrophobicContact CD1-CD1 4.23Å; L117-I145 HydrophobicContact CD2-CD1 4.07Å; R143-I145 HydrophobicContact CG-CD1 4.44Å; R143-I145 HydrophobicContact CG-CG1 4.06Å; I145-M171 HydrophobicContact CD1-CB 4.2Å; I145-M171 VanDerWaalsContact CG2-O 3.3Å; I145-M171 WeakPolarHBondContact CG2-O 3.49Å; I145-L173 HydrophobicContact CB-CD2 4.25Å
146	P	92.6	Very high	92.6	Very high	58 Å²	58	53.1 Å²	53.1	38%	0.377	30%	0.303	S	S	.	.			trans	-65.6	161	170.7	27.9	-34.1	0	0	0	111.1	L113 N148 S149	L113-P146 HydrophobicContact CD1-CB 4.39Å; P146-N148 PolarHBondContact O-N 3.18Å; P146-S149 WeakPolarHBondContact O-CB 3.37Å; P146-S149 PolarHBondContact O-N 3.46Å
147	P	88	Confident	92.3	Very high	120 Å²	120	55.1 Å²	55.1	78%	0.779	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.6	-176.7	-29.6	35.8	0	0	0	115.9
148	N	84.8	Confident	92.2	Very high	163 Å²	163	57.1 Å²	57.1	87%	0.872	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	18.2	178.8	-58.9	-30.2	0	0	0	112.9	P146	P146-N148 PolarHBondContact O-N 3.18Å
149	S	84.7	Confident	92.2	Very high	28 Å²	28	55.6 Å²	55.6	20%	0.196	31%	0.314	C	S	.	.			trans	-60.7	139.6	175.3	167	0	0	0	0	111.3	P146 V151	P146-S149 WeakPolarHBondContact O-CB 3.37Å; P146-S149 PolarHBondContact O-N 3.46Å; S149-V151 VanDerWaalsContact OG-CG2 3.29Å; S149-V151 WeakPolarHBondContact OG-CG2 3.49Å; S149-V151 PolarHBondContact OG-N 3.02Å
150	S	86.4	Confident	92.3	Very high	99 Å²	99	56 Å²	56	69%	0.692	32%	0.316	S	S	*	.			trans	-113	27.9	170.4	70.2	0	0	0	0	112.1	K152	S150-K152 PolarHBondContact O-N 2.92Å
151	V	91.2	Very high	92.4	Very high	37 Å²	37	55.7 Å²	55.7	22%	0.224	31%	0.31	C	S	.	.			trans	-64.4	112.2	177.5	-179.1	0	0	0	0	108.4	S149 M171	S149-V151 VanDerWaalsContact OG-CG2 3.29Å; S149-V151 WeakPolarHBondContact OG-CG2 3.49Å; S149-V151 PolarHBondContact OG-N 3.02Å; V151-M171 HydrophobicContact CB-CE 4.39Å; V151-M171 HydrophobicContact CG1-CE 3.46Å; V151-M171 VanDerWaalsContact CG1-CE 3.46Å; V151-M171 PolarHBondContact O-N 3.3Å
152	K	93.6	Very high	92.5	Very high	88 Å²	88	53.4 Å²	53.4	38%	0.383	30%	0.298	S	S	.	.			trans	-132.4	112.6	179.1	-67.4	177.8	166.5	-128.9	0	107.7	S150 Y168	S150-K152 PolarHBondContact O-N 2.92Å; K152-Y168 HydrophobicContact CB-CD1 4Å; K152-Y168 HydrophobicContact CB-CE1 3.79Å; K152-Y168 HydrophobicContact CB-CG 4.46Å; K152-Y168 HydrophobicContact CD-CD1 4.27Å; K152-Y168 HydrophobicContact CD-CE1 4.47Å; K152-Y168 VanDerWaalsContact CD-O 3.3Å; K152-Y168 WeakPolarHBondContact CD-O 3.26Å; K152-Y168 WeakPolarHBondContact CE-O 3.42Å; K152-Y168 PolarHBondContact NZ-O 3.17Å; K152-Y168 PolarHBondContact O-OH 3.24Å
153	D	91.5	Very high	92.5	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	30%	0.298	S	S	.	.			trans	-165.5	144.5	179.1	-172.7	16.3	0	0	0	108.5	M155 T165	D153-M155 HydrophobicContact CB-CE 3.47Å; D153-M155 VanDerWaalsContact CB-CE 3.47Å; D153-M155 PolarHBondContact O-N 3.04Å; D153-T165 WeakPolarHBondContact O-CG2 3.42Å
154	L	92.6	Very high	92.4	Very high	79 Å²	79	52.3 Å²	52.3	41%	0.414	30%	0.295	S	S	.	.			trans	-87.3	87.4	-178.9	-176	62.7	0	0	0	108.4	T165 F203	L154-T165 HydrophobicContact CD1-CG2 4.2Å; L154-F203 HydrophobicContact CD1-CZ 4.5Å; L154-F203 HydrophobicContact CD2-CE2 4.43Å
155	M	91.8	Very high	92.4	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.094	27%	0.274	C	S	.	.			trans	-126.6	165.2	-176.3	79.3	-177.6	70.3	0	0	112	L117 L141 R143 D153 V161 M171	L117-M155 HydrophobicContact CB-SD 4.13Å; L117-M155 HydrophobicContact CD1-SD 3.68Å; L141-M155 HydrophobicContact CB-SD 4.16Å; L141-M155 HydrophobicContact CD1-CB 3.95Å; L141-M155 HydrophobicContact CD1-CG 4.04Å; L141-M155 HydrophobicContact CD1-SD 4.32Å; L141-M155 HydrophobicContact CD2-SD 4.47Å; R143-M155 PolarHBondContact NH2-SD 3.37Å; R143-M155 VanDerWaalsContact NH2-SD 3.43Å; D153-M155 HydrophobicContact CB-CE 3.47Å; D153-M155 VanDerWaalsContact CB-CE 3.47Å; D153-M155 PolarHBondContact O-N 3.04Å; M155-V161 VanDerWaalsContact O-CG1 3.3Å; M155-V161 WeakPolarHBondContact O-CG1 3.42Å; M155-M171 HydrophobicContact CE-CE 3.56Å; M155-M171 HydrophobicContact SD-CE 4.26Å
156	G	90.8	Very high	92.4	Very high	30 Å²	30	48.7 Å²	48.7	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	93.7	176.4	-177	0	0	0	0	0	112.7
157	T	91.2	Very high	92.5	Very high	41 Å²	41	49.3 Å²	49.3	25%	0.252	28%	0.28	S	S	.	.			trans	-84.5	131.1	-179	-56.5	0	0	0	0	110.5	D118 K120 E159 F160 V161	D118-T157 PolarHBondContact OD1-N 2.88Å; D118-T157 PolarHBondContact OD1-OG1 3.27Å; D118-T157 VanDerWaalsContact OD1-OG1 3.14Å; K120-T157 HydrophobicContact CD-CG2 4.37Å; K120-T157 WeakPolarHBondContact CD-OG1 3.39Å; K120-T157 PolarHBondContact NZ-OG1 3.02Å; T157-E159 VanDerWaalsContact C-N 3.25Å; T157-E159 PolarHBondContact O-N 3.4Å; T157-F160 HydrophobicContact CG2-CD2 4.11Å; T157-F160 PolarHBondContact O-N 3.28Å; T157-V161 WeakPolarHBondContact O-CG1 3.43Å; T157-V161 PolarHBondContact O-N 3.44Å
158	E	93.4	Very high	92.8	Very high	71 Å²	71	49.5 Å²	49.5	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.4	-162.7	-65.9	-178.2	-179.2	0	0	115.7	V161 R199 F203 I206	E158-V161 WeakPolarHBondContact O-CG2 3.38Å; E158-R199 WeakPolarHBondContact OE1-CD 3.43Å; E158-R199 IonicContact OE1-CZ 3.3Å; E158-R199 VanDerWaalsContact OE1-CZ 3.3Å; E158-R199 IonicContact OE1-NE 3.49Å; E158-R199 PolarHBondContact OE1-NE 2.76Å; E158-R199 IonicContact OE1-NH1 2.64Å; E158-R199 PolarHBondContact OE1-NH1 3.14Å; E158-R199 WeakPolarHBondContact OE2-CB 3.16Å; E158-R199 WeakPolarHBondContact OE2-CG 3.3Å; E158-F203 HydrophobicContact CB-CE1 4.1Å; E158-F203 HydrophobicContact CG-CE1 4.28Å; E158-F203 HydrophobicContact CG-CZ 4.44Å; E158-I206 WeakPolarHBondContact O-CD1 3.38Å
159	E	94.4	Very high	93.1	Very high	42 Å²	42	45.5 Å²	45.5	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.2	-178.5	71.1	-179.5	147.5	0	0	114	T157 S192 L195	T157-E159 VanDerWaalsContact C-N 3.25Å; T157-E159 PolarHBondContact O-N 3.4Å; E159-S192 WeakPolarHBondContact OE2-CB 3.34Å; E159-S192 PolarHBondContact OE2-OG 2.96Å; E159-L195 HydrophobicContact CB-CD1 4.39Å
160	F	96.9	Very high	93.5	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.044	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.6	-177.6	-61.7	-80.1	0	0	0	113.1	K120 P121 T157 A179 V182	K120-F160 HydrophobicContact CB-CD2 3.68Å; K120-F160 HydrophobicContact CB-CE2 3.74Å; K120-F160 HydrophobicContact CB-CG 4.14Å; K120-F160 HydrophobicContact CB-CZ 4.28Å; P121-F160 HydrophobicContact CG-CE1 4.48Å; P121-F160 HydrophobicContact CG-CZ 3.85Å; T157-F160 HydrophobicContact CG2-CD2 4.11Å; T157-F160 PolarHBondContact O-N 3.28Å; F160-A179 HydrophobicContact CB-CB 4.44Å; F160-V182 HydrophobicContact CD1-CB 3.89Å; F160-V182 HydrophobicContact CD1-CG1 3.5Å; F160-V182 VanDerWaalsContact CD1-CG1 3.5Å; F160-V182 HydrophobicContact CE1-CB 4.28Å; F160-V182 HydrophobicContact CE1-CG1 3.6Å; F160-V182 HydrophobicContact CG-CG1 4.39Å
161	V	96.5	Very high	93.9	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	21%	0.211	C	C	.	.			trans	-68.4	142.4	-179.2	-56.8	0	0	0	0	111.4	M155 T157 E158 T165 I166 W178 F203 I206	M155-V161 VanDerWaalsContact O-CG1 3.3Å; M155-V161 WeakPolarHBondContact O-CG1 3.42Å; T157-V161 WeakPolarHBondContact O-CG1 3.43Å; T157-V161 PolarHBondContact O-N 3.44Å; E158-V161 WeakPolarHBondContact O-CG2 3.38Å; V161-T165 HydrophobicContact CB-CG2 4.49Å; V161-I166 HydrophobicContact CG2-CD1 3.77Å; V161-I166 HydrophobicContact CG2-CG1 3.67Å; V161-W178 PolarHBondContact O-NE1 2.9Å; V161-F203 HydrophobicContact CG2-CE1 4.26Å; V161-I206 HydrophobicContact CG2-CD1 3.96Å; V161-I206 WeakPolarHBondContact O-CG2 3.43Å
162	A	96.8	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.			trans	-80.6	157.2	178.5	0	0	0	0	0	112.2	E164 T165 I166 T175 W178	A162-E164 VanDerWaalsContact C-N 3.26Å; A162-E164 HydrophobicContact CB-CG 4.38Å; A162-E164 WeakPolarHBondContact CB-OE1 3.26Å; A162-E164 WeakPolarHBondContact CB-OE2 3.19Å; A162-E164 PolarHBondContact O-N 3.11Å; A162-T165 WeakPolarHBondContact O-CB 3.4Å; A162-T165 PolarHBondContact O-N 2.94Å; A162-I166 PolarHBondContact O-N 3.29Å; A162-T175 HydrophobicContact CB-CG2 3.95Å; A162-W178 HydrophobicContact CB-CB 3.75Å; A162-W178 HydrophobicContact CB-CD2 4.28Å; A162-W178 HydrophobicContact CB-CG 3.68Å
163	P	96.9	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.4	-38.4	179.7	-26.1	34.9	0	0	0	113.5	T165 I166 N167 W178 I206	P163-T165 VanDerWaalsContact C-N 3.27Å; P163-T165 PolarHBondContact O-N 3.26Å; P163-I166 PolarHBondContact O-N 3.38Å; P163-N167 WeakPolarHBondContact O-CB 3.39Å; P163-N167 VanDerWaalsContact O-CG 3.3Å; P163-N167 PolarHBondContact O-N 3.04Å; P163-N167 PolarHBondContact O-ND2 2.81Å; P163-W178 HydrophobicContact CG-CD2 4.43Å; P163-W178 HydrophobicContact CG-CE3 4.03Å; P163-W178 HydrophobicContact CG-CH2 3.56Å; P163-W178 HydrophobicContact CG-CZ2 3.99Å; P163-W178 HydrophobicContact CG-CZ3 3.58Å; P163-I206 HydrophobicContact CB-CG2 4.4Å; P163-I206 HydrophobicContact CG-CG2 3.9Å
164	E	95.1	Very high	94.5	Very high	17 Å²	17	36.1 Å²	36.1	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-34.2	178	66.1	-88.6	-154.4	0	0	112.4	A162 Y168 D169 T175	A162-E164 VanDerWaalsContact C-N 3.26Å; A162-E164 HydrophobicContact CB-CG 4.38Å; A162-E164 WeakPolarHBondContact CB-OE1 3.26Å; A162-E164 WeakPolarHBondContact CB-OE2 3.19Å; A162-E164 PolarHBondContact O-N 3.11Å; E164-Y168 PolarHBondContact O-N 3.25Å; E164-Y168 VanDerWaalsContact O-N 3.11Å; E164-D169 HydrophobicContact CB-CB 3.82Å; E164-D169 PolarHBondContact O-N 3.2Å; E164-T175 WeakPolarHBondContact OE1-CA 3.33Å; E164-T175 WeakPolarHBondContact OE1-CB 3.22Å; E164-T175 PolarHBondContact OE1-OG1 3.38Å
165	T	95.4	Very high	94.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-41.9	177.5	-54.3	0	0	0	0	110.8	D153 L154 V161 A162 P163 Y168 M171	D153-T165 WeakPolarHBondContact O-CG2 3.42Å; L154-T165 HydrophobicContact CD1-CG2 4.2Å; V161-T165 HydrophobicContact CB-CG2 4.49Å; A162-T165 WeakPolarHBondContact O-CB 3.4Å; A162-T165 PolarHBondContact O-N 2.94Å; P163-T165 VanDerWaalsContact C-N 3.27Å; P163-T165 PolarHBondContact O-N 3.26Å; T165-Y168 PolarHBondContact O-N 3.37Å; T165-M171 HydrophobicContact CG2-SD 4.47Å
166	I	96.1	Very high	94.9	Very high	35 Å²	35	32 Å²	32	18%	0.179	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-42.2	178	-59.3	176.4	0	0	0	111.1	V161 A162 P163 Y168 F203 I206 T207	V161-I166 HydrophobicContact CG2-CD1 3.77Å; V161-I166 HydrophobicContact CG2-CG1 3.67Å; A162-I166 PolarHBondContact O-N 3.29Å; P163-I166 PolarHBondContact O-N 3.38Å; I166-Y168 PolarHBondContact O-N 3.35Å; I166-F203 HydrophobicContact CD1-CB 4.02Å; I166-F203 HydrophobicContact CD1-CD1 3.71Å; I166-F203 HydrophobicContact CD1-CE1 4.28Å; I166-F203 HydrophobicContact CD1-CG 3.88Å; I166-F203 HydrophobicContact CG1-CD1 4.33Å; I166-F203 HydrophobicContact CG1-CG 4.39Å; I166-F203 HydrophobicContact CG2-CB 4.19Å; I166-F203 HydrophobicContact CG2-CD2 4.11Å; I166-F203 HydrophobicContact CG2-CG 4.21Å; I166-I206 HydrophobicContact CD1-CB 3.66Å; I166-I206 HydrophobicContact CD1-CD1 3.87Å; I166-I206 HydrophobicContact CD1-CG1 4.36Å; I166-I206 HydrophobicContact CD1-CG2 3.46Å; I166-I206 VanDerWaalsContact CD1-CG2 3.46Å; I166-T207 HydrophobicContact CB-CG2 3.87Å; I166-T207 HydrophobicContact CD1-CG2 4.13Å; I166-T207 HydrophobicContact CG2-CG2 3.58Å
167	N	94.6	Very high	95.3	Very high	70 Å²	70	32.8 Å²	32.8	37%	0.374	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.6	179.2	-66.3	-29.5	0	0	0	113.2	P163 D169	P163-N167 WeakPolarHBondContact O-CB 3.39Å; P163-N167 VanDerWaalsContact O-CG 3.3Å; P163-N167 PolarHBondContact O-N 3.04Å; P163-N167 PolarHBondContact O-ND2 2.81Å; N167-D169 WeakPolarHBondContact CB-OD2 3.42Å; N167-D169 PolarHBondContact O-N 2.86Å
168	Y	94	Very high	95.7	Very high	125 Å²	125	31.1 Å²	31.1	49%	0.49	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	32.7	-175.9	-145.7	-105.5	0	0	0	113	K152 E164 T165 I166	K152-Y168 HydrophobicContact CB-CD1 4Å; K152-Y168 HydrophobicContact CB-CE1 3.79Å; K152-Y168 HydrophobicContact CB-CG 4.46Å; K152-Y168 HydrophobicContact CD-CD1 4.27Å; K152-Y168 HydrophobicContact CD-CE1 4.47Å; K152-Y168 VanDerWaalsContact CD-O 3.3Å; K152-Y168 WeakPolarHBondContact CD-O 3.26Å; K152-Y168 WeakPolarHBondContact CE-O 3.42Å; K152-Y168 PolarHBondContact NZ-O 3.17Å; K152-Y168 PolarHBondContact O-OH 3.24Å; E164-Y168 PolarHBondContact O-N 3.25Å; E164-Y168 VanDerWaalsContact O-N 3.11Å; T165-Y168 PolarHBondContact O-N 3.37Å; I166-Y168 PolarHBondContact O-N 3.35Å
169	D	92.3	Very high	95.9	Very high	79 Å²	79	28 Å²	28	42%	0.422	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-81.4	163.8	169.6	-70	-40.7	0	0	0	110.6	E164 N167 M171	E164-D169 HydrophobicContact CB-CB 3.82Å; E164-D169 PolarHBondContact O-N 3.2Å; N167-D169 WeakPolarHBondContact CB-OD2 3.42Å; N167-D169 PolarHBondContact O-N 2.86Å; D169-M171 PolarHBondContact O-N 2.79Å
170	G	92.3	Very high	96.1	Very high	15 Å²	15	26 Å²	26	16%	0.155	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-70	119.5	-178.6	0	0	0	0	0	110.9
171	M	94.3	Very high	96.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.02	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-63.5	149.3	176.2	-74.4	179.9	-82.1	0	0	111.6	L117 I145 V151 M155 T165 D169 T175	L117-M171 HydrophobicContact CD1-SD 4.19Å; L117-M171 HydrophobicContact CD2-SD 3.92Å; I145-M171 HydrophobicContact CD1-CB 4.2Å; I145-M171 VanDerWaalsContact CG2-O 3.3Å; I145-M171 WeakPolarHBondContact CG2-O 3.49Å; V151-M171 HydrophobicContact CB-CE 4.39Å; V151-M171 HydrophobicContact CG1-CE 3.46Å; V151-M171 VanDerWaalsContact CG1-CE 3.46Å; V151-M171 PolarHBondContact O-N 3.3Å; M155-M171 HydrophobicContact CE-CE 3.56Å; M155-M171 HydrophobicContact SD-CE 4.26Å; T165-M171 HydrophobicContact CG2-SD 4.47Å; D169-M171 PolarHBondContact O-N 2.79Å; M171-T175 HydrophobicContact CG-CG2 4.29Å; M171-T175 HydrophobicContact SD-CG2 4.36Å
172	T	95	Very high	96.2	Very high	38 Å²	38	25 Å²	25	23%	0.233	13%	0.133	C	C	.	.			trans	-129.3	179.8	178.4	71.8	0	0	0	0	110.3	A174 T175	T172-A174 PolarHBondContact O-N 2.69Å; T172-A174 WeakPolarHBondContact OG1-CB 3.42Å; T172-A174 PolarHBondContact OG1-N 3.21Å; T172-A174 VanDerWaalsContact OG1-N 3.11Å; T172-T175 PolarHBondContact N-OG1 3.43Å; T172-T175 VanDerWaalsContact O-CB 3.29Å; T172-T175 WeakPolarHBondContact O-CB 3.24Å; T172-T175 PolarHBondContact O-N 3.15Å; T172-T175 PolarHBondContact O-OG1 3.39Å; T172-T175 VanDerWaalsContact O-OG1 3.07Å
173	L	96.7	Very high	96.2	Very high	40 Å²	40	25 Å²	25	21%	0.209	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	170.4	-56.6	179.6	0	0	0	112.1	H110 L113 A115 I145 T175 D176	H110-L173 HydrophobicContact CB-CD1 3.97Å; H110-L173 PolarHBondContact CE1-O 2.76Å; L113-L173 HydrophobicContact CD2-CD1 4.28Å; A115-L173 HydrophobicContact CB-CD2 4.09Å; I145-L173 HydrophobicContact CB-CD2 4.25Å; L173-T175 PolarHBondContact O-N 3.06Å; L173-D176 PolarHBondContact O-N 3.06Å
174	A	96.4	Very high	96.2	Very high	28 Å²	28	25.3 Å²	25.3	23%	0.231	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-16.3	176.2	0	0	0	0	0	113.2	T172 D176 M177 W178 P237	T172-A174 PolarHBondContact O-N 2.69Å; T172-A174 WeakPolarHBondContact OG1-CB 3.42Å; T172-A174 PolarHBondContact OG1-N 3.21Å; T172-A174 VanDerWaalsContact OG1-N 3.11Å; A174-D176 PolarHBondContact O-N 2.61Å; A174-M177 WeakPolarHBondContact O-CA 3.35Å; A174-M177 WeakPolarHBondContact O-CB 3.5Å; A174-M177 PolarHBondContact O-N 2.95Å; A174-W178 PolarHBondContact O-N 3.24Å; A174-P237 HydrophobicContact CB-CB 3.36Å; A174-P237 HydrophobicContact CB-CG 3.89Å
175	T	96.7	Very high	96.3	Very high	10 Å²	10	24.9 Å²	24.9	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-37.1	173.1	-54.3	0	0	0	0	111.1	L117 A162 E164 M171 T172 L173 M177 A179	L117-T175 HydrophobicContact CD2-CG2 3.96Å; A162-T175 HydrophobicContact CB-CG2 3.95Å; E164-T175 WeakPolarHBondContact OE1-CA 3.33Å; E164-T175 WeakPolarHBondContact OE1-CB 3.22Å; E164-T175 PolarHBondContact OE1-OG1 3.38Å; M171-T175 HydrophobicContact CG-CG2 4.29Å; M171-T175 HydrophobicContact SD-CG2 4.36Å; T172-T175 PolarHBondContact N-OG1 3.43Å; T172-T175 VanDerWaalsContact O-CB 3.29Å; T172-T175 WeakPolarHBondContact O-CB 3.24Å; T172-T175 PolarHBondContact O-N 3.15Å; T172-T175 PolarHBondContact O-OG1 3.39Å; T172-T175 VanDerWaalsContact O-OG1 3.07Å; L173-T175 PolarHBondContact O-N 3.06Å; T175-M177 VanDerWaalsContact C-N 3.32Å; T175-M177 PolarHBondContact O-N 3.2Å; T175-A179 PolarHBondContact O-N 3.13Å
176	D	98.1	Very high	96.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-30.6	172.4	-67.6	-25	0	0	0	112.4	L106 H110 A115 H116 L117 L173 A174 A179 L180	L106-D176 HydrophobicContact CD1-CB 4.37Å; L106-D176 HydrophobicContact CD2-CB 3.98Å; H110-D176 IonicContact CD2-OD2 2.74Å; H110-D176 IonicContact CE1-OD2 3.71Å; H110-D176 IonicContact NE2-OD2 2.88Å; H110-D176 PolarHBondContact NE2-OD2 2.97Å; A115-D176 VanDerWaalsContact CA-OD2 3.25Å; A115-D176 WeakPolarHBondContact CA-OD2 3.43Å; H116-D176 VanDerWaalsContact N-CG 3.34Å; H116-D176 PolarHBondContact N-OD1 2.8Å; H116-D176 VanDerWaalsContact N-OD1 3.11Å; H116-D176 PolarHBondContact N-OD2 3.34Å; L117-D176 PolarHBondContact N-OD1 3.45Å; L173-D176 PolarHBondContact O-N 3.06Å; A174-D176 PolarHBondContact O-N 2.61Å; D176-A179 PolarHBondContact O-N 3.34Å; D176-L180 PolarHBondContact O-N 2.86Å
177	M	98.5	Very high	96.2	Very high	48 Å²	48	25 Å²	25	24%	0.236	13%	0.134	C	C	.	.	H	α-helix	trans	-72.4	-34.6	-178.9	-58.1	-54	-56.6	0	0	111.5	L103 L106 A174 T175 L180 G181 L232	L103-M177 HydrophobicContact CD2-CE 3.87Å; L106-M177 HydrophobicContact CD1-SD 4.25Å; A174-M177 WeakPolarHBondContact O-CA 3.35Å; A174-M177 WeakPolarHBondContact O-CB 3.5Å; A174-M177 PolarHBondContact O-N 2.95Å; T175-M177 VanDerWaalsContact C-N 3.32Å; T175-M177 PolarHBondContact O-N 3.2Å; M177-L180 HydrophobicContact CE-CD2 3.82Å; M177-L180 WeakPolarHBondContact O-CB 3.36Å; M177-L180 PolarHBondContact O-N 3.32Å; M177-G181 PolarHBondContact O-N 3.34Å; M177-L232 HydrophobicContact CB-CD2 4.09Å; M177-L232 HydrophobicContact CE-CD2 3.64Å
178	W	98.4	Very high	96.1	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.023	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-52.2	168.1	175.9	-84.6	0	0	0	111	V161 A162 P163 A174 L180 G181 V182 F194 I206 V209 L233 I234	V161-W178 PolarHBondContact O-NE1 2.9Å; A162-W178 HydrophobicContact CB-CB 3.75Å; A162-W178 HydrophobicContact CB-CD2 4.28Å; A162-W178 HydrophobicContact CB-CG 3.68Å; P163-W178 HydrophobicContact CG-CD2 4.43Å; P163-W178 HydrophobicContact CG-CE3 4.03Å; P163-W178 HydrophobicContact CG-CH2 3.56Å; P163-W178 HydrophobicContact CG-CZ2 3.99Å; P163-W178 HydrophobicContact CG-CZ3 3.58Å; A174-W178 PolarHBondContact O-N 3.24Å; W178-L180 VanDerWaalsContact C-N 3.25Å; W178-L180 PolarHBondContact O-N 2.87Å; W178-G181 WeakPolarHBondContact O-CA 3.38Å; W178-G181 PolarHBondContact O-N 2.72Å; W178-V182 PolarHBondContact O-N 3.49Å; W178-F194 AromaticContact CE2-CE2 3.93Å; W178-F194 HydrophobicContact CH2-CE1 4.37Å; W178-F194 AromaticContact CH2-CE2 3.88Å; W178-F194 HydrophobicContact CH2-CE2 3.88Å; W178-F194 AromaticContact CH2-CZ 3.6Å; W178-F194 HydrophobicContact CH2-CZ 3.6Å; W178-F194 AromaticContact CZ2-CD2 3.93Å; W178-F194 HydrophobicContact CZ2-CD2 3.93Å; W178-F194 HydrophobicContact CZ2-CE1 4.32Å; W178-F194 AromaticContact CZ2-CE2 3.24Å; W178-F194 HydrophobicContact CZ2-CE2 3.24Å; W178-F194 AromaticContact CZ2-CZ 3.47Å; W178-F194 HydrophobicContact CZ2-CZ 3.47Å; W178-F194 VanDerWaalsContact CZ2-CZ 3.47Å; W178-I206 HydrophobicContact CH2-CG2 4.46Å; W178-I206 HydrophobicContact CZ2-CB 4.46Å; W178-I206 HydrophobicContact CZ2-CG2 3.77Å; W178-V209 HydrophobicContact CH2-CG1 4.16Å; W178-V209 HydrophobicContact CH2-CG2 4.09Å; W178-V209 HydrophobicContact CZ3-CG1 4.36Å; W178-V209 HydrophobicContact CZ3-CG2 4.27Å; W178-L233 HydrophobicContact CD2-CD2 3.93Å; W178-L233 HydrophobicContact CE3-CD2 4.1Å; W178-L233 HydrophobicContact CG-CD2 4.41Å; W178-L233 HydrophobicContact CH2-CD2 4.5Å; W178-L233 HydrophobicContact CZ2-CD2 4.34Å; W178-L233 HydrophobicContact CZ3-CB 4.28Å; W178-L233 HydrophobicContact CZ3-CD2 4.38Å; W178-I234 WeakPolarHBondContact CZ3-O 3.16Å
179	A	98.3	Very high	96	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-38.5	179.2	0	0	0	0	0	111.7	L119 F160 T175 D176 G181 V182 L183	L119-A179 HydrophobicContact CB-CB 3.93Å; L119-A179 HydrophobicContact CD2-CB 4.43Å; F160-A179 HydrophobicContact CB-CB 4.44Å; T175-A179 PolarHBondContact O-N 3.13Å; D176-A179 PolarHBondContact O-N 3.34Å; A179-G181 VanDerWaalsContact C-N 3.32Å; A179-G181 PolarHBondContact O-N 3.14Å; A179-V182 PolarHBondContact O-N 3.3Å; A179-L183 VanDerWaalsContact O-CB 3.24Å; A179-L183 WeakPolarHBondContact O-CB 3.1Å; A179-L183 PolarHBondContact O-N 3.41Å
180	L	98.5	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-38.4	172	-177.3	70.2	0	0	0	112.6	I99 I102 L103 L106 L119 D176 M177 W178 L183 T184 F228 L232	I99-L180 HydrophobicContact CD1-CD1 4.31Å; I99-L180 HydrophobicContact CG2-CD1 4.39Å; I102-L180 HydrophobicContact CB-CD1 4.2Å; I102-L180 HydrophobicContact CD1-CD1 4.44Å; I102-L180 HydrophobicContact CG2-CD1 3.67Å; L103-L180 HydrophobicContact CD1-CD2 4.45Å; L103-L180 HydrophobicContact CD2-CD2 3.33Å; L103-L180 HydrophobicContact CG-CD2 3.76Å; L106-L180 HydrophobicContact CD1-CB 4.48Å; L106-L180 HydrophobicContact CD1-CD2 4.41Å; L119-L180 HydrophobicContact CD2-CB 4.13Å; L119-L180 HydrophobicContact CD2-CD1 4.42Å; D176-L180 PolarHBondContact O-N 2.86Å; M177-L180 HydrophobicContact CE-CD2 3.82Å; M177-L180 WeakPolarHBondContact O-CB 3.36Å; M177-L180 PolarHBondContact O-N 3.32Å; W178-L180 VanDerWaalsContact C-N 3.25Å; W178-L180 PolarHBondContact O-N 2.87Å; L180-L183 PolarHBondContact O-N 3.09Å; L180-T184 WeakPolarHBondContact O-CB 3.24Å; L180-T184 PolarHBondContact O-N 3.18Å; L180-T184 PolarHBondContact O-OG1 3.12Å; L180-F228 HydrophobicContact CD2-CZ 4.41Å; L180-L232 HydrophobicContact CD2-CD1 4.2Å; L180-L232 HydrophobicContact CG-CD1 4.22Å
181	G	98.4	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-47.5	175.4	0	0	0	0	0	111.9	M177 W178 A179 L183 T184 F185	M177-G181 PolarHBondContact O-N 3.34Å; W178-G181 WeakPolarHBondContact O-CA 3.38Å; W178-G181 PolarHBondContact O-N 2.72Å; A179-G181 VanDerWaalsContact C-N 3.32Å; A179-G181 PolarHBondContact O-N 3.14Å; G181-L183 VanDerWaalsContact C-N 3.34Å; G181-L183 PolarHBondContact O-N 3.39Å; G181-T184 PolarHBondContact O-N 2.91Å; G181-F185 PolarHBondContact O-N 3.35Å
182	V	98.2	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-47.6	174.9	179.5	0	0	0	0	110.1	F160 W178 A179 T184 F185 V186 P193 F194 L233	F160-V182 HydrophobicContact CD1-CB 3.89Å; F160-V182 HydrophobicContact CD1-CG1 3.5Å; F160-V182 VanDerWaalsContact CD1-CG1 3.5Å; F160-V182 HydrophobicContact CE1-CB 4.28Å; F160-V182 HydrophobicContact CE1-CG1 3.6Å; F160-V182 HydrophobicContact CG-CG1 4.39Å; W178-V182 PolarHBondContact O-N 3.49Å; A179-V182 PolarHBondContact O-N 3.3Å; V182-T184 VanDerWaalsContact C-N 3.32Å; V182-T184 PolarHBondContact O-N 3.35Å; V182-F185 WeakPolarHBondContact O-CB 3.37Å; V182-F185 PolarHBondContact O-N 3.49Å; V182-F185 VanDerWaalsContact O-N 3.12Å; V182-V186 HydrophobicContact CG1-CG2 4.49Å; V182-V186 WeakPolarHBondContact O-CG2 3.25Å; V182-V186 PolarHBondContact O-N 3.48Å; V182-P193 HydrophobicContact CB-CG 4.36Å; V182-P193 HydrophobicContact CG1-CG 3.93Å; V182-P193 HydrophobicContact CG2-CG 4.3Å; V182-F194 HydrophobicContact CG2-CD2 4.06Å; V182-F194 HydrophobicContact CG2-CE2 3.94Å; V182-L233 HydrophobicContact CG2-CD2 3.9Å
183	L	96.9	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-37.9	-178.6	-160	139.8	0	0	0	112.5	F81 I99 I102 L119 I124 A179 L180 G181 L187	F81-L183 HydrophobicContact CE2-CD1 4.43Å; F81-L183 HydrophobicContact CE2-CD2 3.77Å; F81-L183 HydrophobicContact CE2-CG 4.01Å; F81-L183 HydrophobicContact CZ-CD2 3.61Å; F81-L183 HydrophobicContact CZ-CG 3.74Å; I99-L183 HydrophobicContact CD1-CD2 4.19Å; I102-L183 HydrophobicContact CD1-CD2 3.82Å; L119-L183 HydrophobicContact CG-CD1 4.3Å; I124-L183 HydrophobicContact CD1-CD1 3.36Å; I124-L183 HydrophobicContact CD1-CD2 3.67Å; I124-L183 HydrophobicContact CD1-CG 4.12Å; A179-L183 VanDerWaalsContact O-CB 3.24Å; A179-L183 WeakPolarHBondContact O-CB 3.1Å; A179-L183 PolarHBondContact O-N 3.41Å; L180-L183 PolarHBondContact O-N 3.09Å; G181-L183 VanDerWaalsContact C-N 3.34Å; G181-L183 PolarHBondContact O-N 3.39Å; L183-L187 WeakPolarHBondContact O-CB 3.33Å; L183-L187 PolarHBondContact O-N 3.09Å
184	T	97	Very high	96.1	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-39.2	174.4	-53.6	0	0	0	0	111.3	I99 L180 G181 V182 L187 L188 F228 I229	I99-T184 HydrophobicContact CD1-CG2 4.36Å; I99-T184 WeakPolarHBondContact CD1-OG1 3.16Å; I99-T184 HydrophobicContact CG1-CG2 4.27Å; L180-T184 WeakPolarHBondContact O-CB 3.24Å; L180-T184 PolarHBondContact O-N 3.18Å; L180-T184 PolarHBondContact O-OG1 3.12Å; G181-T184 PolarHBondContact O-N 2.91Å; V182-T184 VanDerWaalsContact C-N 3.32Å; V182-T184 PolarHBondContact O-N 3.35Å; T184-L187 PolarHBondContact O-N 3Å; T184-L188 HydrophobicContact CG2-CD1 4.14Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.97Å; T184-L188 VanDerWaalsContact O-N 3.14Å; T184-F228 HydrophobicContact CG2-CD1 4.04Å; T184-F228 HydrophobicContact CG2-CE1 4.04Å; T184-I229 HydrophobicContact CG2-CD1 4.24Å; T184-I229 HydrophobicContact CG2-CG1 3.99Å
185	F	96.8	Very high	96.1	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-48.3	175.2	-173.8	-72.4	0	0	0	111.2	G181 V182 L187 L188 S189 S191 P193 Y211 D212 F213 F218 I229	G181-F185 PolarHBondContact O-N 3.35Å; V182-F185 WeakPolarHBondContact O-CB 3.37Å; V182-F185 PolarHBondContact O-N 3.49Å; V182-F185 VanDerWaalsContact O-N 3.12Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 PolarHBondContact O-N 2.94Å; F185-L188 PolarHBondContact O-N 3.34Å; F185-S189 WeakPolarHBondContact CD1-OG 3.14Å; F185-S189 WeakPolarHBondContact CE1-OG 3.43Å; F185-S189 WeakPolarHBondContact O-CB 3.42Å; F185-S189 PolarHBondContact O-N 2.89Å; F185-S189 PolarHBondContact O-OG 3.38Å; F185-S191 WeakPolarHBondContact CD1-O 3.48Å; F185-S191 WeakPolarHBondContact CE1-O 3.27Å; F185-P193 HydrophobicContact CB-CB 4.44Å; F185-P193 HydrophobicContact CB-CG 4.09Å; F185-P193 HydrophobicContact CD1-CB 3.8Å; F185-P193 HydrophobicContact CD1-CG 3.97Å; F185-P193 HydrophobicContact CD2-CB 3.82Å; F185-P193 HydrophobicContact CD2-CG 4.39Å; F185-P193 HydrophobicContact CE1-CB 3.89Å; F185-P193 HydrophobicContact CE1-CG 4.49Å; F185-P193 HydrophobicContact CE2-CB 3.9Å; F185-P193 HydrophobicContact CG-CB 3.77Å; F185-P193 HydrophobicContact CG-CG 3.9Å; F185-P193 HydrophobicContact CZ-CB 3.92Å; F185-Y211 HydrophobicContact CD2-CD2 4.38Å; F185-Y211 HydrophobicContact CE2-CD2 4.02Å; F185-D212 VanDerWaalsContact CE2-O 3.29Å; F185-D212 WeakPolarHBondContact CE2-O 3.48Å; F185-D212 WeakPolarHBondContact CZ-O 3.35Å; F185-F213 HydrophobicContact CD2-CD1 4.43Å; F185-F213 HydrophobicContact CD2-CE1 4.06Å; F185-F213 HydrophobicContact CE2-CD1 4.04Å; F185-F213 HydrophobicContact CE2-CE1 4.08Å; F185-F218 HydrophobicContact CD1-CE2 4.38Å; F185-F218 AromaticContact CD1-CZ 3.96Å; F185-F218 HydrophobicContact CD1-CZ 3.96Å; F185-F218 HydrophobicContact CD2-CE2 4.25Å; F185-F218 AromaticContact CD2-CZ 3.66Å; F185-F218 HydrophobicContact CD2-CZ 3.66Å; F185-F218 AromaticContact CE1-CE2 3.74Å; F185-F218 HydrophobicContact CE1-CE2 3.74Å; F185-F218 AromaticContact CE1-CZ 3.79Å; F185-F218 HydrophobicContact CE1-CZ 3.79Å; F185-F218 AromaticContact CE2-CE2 3.58Å; F185-F218 HydrophobicContact CE2-CE2 3.58Å; F185-F218 AromaticContact CE2-CZ 3.48Å; F185-F218 HydrophobicContact CE2-CZ 3.48Å; F185-F218 VanDerWaalsContact CE2-CZ 3.48Å; F185-F218 AromaticContact CG-CZ 3.91Å; F185-F218 HydrophobicContact CG-CZ 3.91Å; F185-F218 HydrophobicContact CZ-CD2 4.49Å; F185-F218 AromaticContact CZ-CE2 3.31Å; F185-F218 HydrophobicContact CZ-CE2 3.31Å; F185-F218 AromaticContact CZ-CZ 3.56Å; F185-F218 HydrophobicContact CZ-CZ 3.56Å; F185-I229 HydrophobicContact CB-CD1 4.14Å; F185-I229 HydrophobicContact CD2-CD1 4.39Å; F185-I229 HydrophobicContact CD2-CG2 4.27Å
186	V	94.4	Very high	96.1	Very high	24 Å²	24	21.3 Å²	21.3	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-42.7	177.4	176.7	0	0	0	0	110.6	F81 V182 L188 S189 G190 S191	F81-V186 HydrophobicContact CD1-CG1 4.43Å; F81-V186 HydrophobicContact CE1-CB 4.41Å; F81-V186 HydrophobicContact CE1-CG1 3.91Å; V182-V186 HydrophobicContact CG1-CG2 4.49Å; V182-V186 WeakPolarHBondContact O-CG2 3.25Å; V182-V186 PolarHBondContact O-N 3.48Å; V186-L188 VanDerWaalsContact C-N 3.25Å; V186-L188 PolarHBondContact O-N 3.2Å; V186-S189 PolarHBondContact O-N 2.97Å; V186-G190 VanDerWaalsContact O-CA 3.3Å; V186-G190 WeakPolarHBondContact O-CA 3.45Å; V186-G190 PolarHBondContact O-N 2.88Å; V186-S191 WeakPolarHBondContact CA-O 3.4Å; V186-S191 WeakPolarHBondContact CG2-O 3.38Å
187	L	93.5	Very high	96	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-35.9	179.5	-176.2	64.7	0	0	0	113	F81 L84 L90 A95 I99 L183 T184 F185	F81-L187 HydrophobicContact CE1-CB 4.21Å; F81-L187 HydrophobicContact CE1-CD1 4.14Å; F81-L187 HydrophobicContact CZ-CB 4.24Å; F81-L187 HydrophobicContact CZ-CD1 4.21Å; L84-L187 HydrophobicContact CD1-CD1 3.22Å; L90-L187 HydrophobicContact CD2-CD1 3.76Å; L90-L187 HydrophobicContact CD2-CG 4.13Å; A95-L187 HydrophobicContact CB-CD2 3.85Å; A95-L187 HydrophobicContact CB-CG 4.19Å; I99-L187 HydrophobicContact CD1-CD2 3.67Å; I99-L187 HydrophobicContact CG1-CD2 3.74Å; L183-L187 WeakPolarHBondContact O-CB 3.33Å; L183-L187 PolarHBondContact O-N 3.09Å; T184-L187 PolarHBondContact O-N 3Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 PolarHBondContact O-N 2.94Å
188	L	93.1	Very high	95.9	Very high	39 Å²	39	31.6 Å²	31.6	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-89.5	-25.7	-176.1	-66.6	177.9	0	0	0	113.9	E92 A95 T184 F185 V186 F218 T221 A225 I229	E92-L188 HydrophobicContact CG-CD2 4.27Å; A95-L188 HydrophobicContact CB-CD2 3.92Å; T184-L188 HydrophobicContact CG2-CD1 4.14Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.97Å; T184-L188 VanDerWaalsContact O-N 3.14Å; F185-L188 PolarHBondContact O-N 3.34Å; V186-L188 VanDerWaalsContact C-N 3.25Å; V186-L188 PolarHBondContact O-N 3.2Å; L188-F218 HydrophobicContact CB-CE1 4.23Å; L188-T221 HydrophobicContact CD1-CG2 4.08Å; L188-A225 HydrophobicContact CD1-CB 3.87Å; L188-I229 HydrophobicContact CD1-CD1 4.1Å
189	S	92.5	Very high	95.8	Very high	19 Å²	19	36.8 Å²	36.8	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-115	-21.7	-173.9	64.4	0	0	0	0	114.8	F185 V186 S191 F218	F185-S189 WeakPolarHBondContact CD1-OG 3.14Å; F185-S189 WeakPolarHBondContact CE1-OG 3.43Å; F185-S189 WeakPolarHBondContact O-CB 3.42Å; F185-S189 PolarHBondContact O-N 2.89Å; F185-S189 PolarHBondContact O-OG 3.38Å; V186-S189 PolarHBondContact O-N 2.97Å; S189-S191 PolarHBondContact O-N 3.05Å; S189-S191 PolarHBondContact OG-N 3.28Å; S189-S191 PolarHBondContact OG-O 3Å; S189-F218 VanDerWaalsContact CB-CE2 3.46Å; S189-F218 VanDerWaalsContact CB-CZ 3.43Å
190	G	90.1	Very high	95.7	Very high	72 Å²	72	42.9 Å²	42.9	74%	0.742	24%	0.242	S	C	*	.	S	Bend	trans	71.4	3.6	-166	0	0	0	0	0	114.1	V186	V186-G190 VanDerWaalsContact O-CA 3.3Å; V186-G190 WeakPolarHBondContact O-CA 3.45Å; V186-G190 PolarHBondContact O-N 2.88Å
191	S	91.5	Very high	95.7	Very high	43 Å²	43	46.5 Å²	46.5	30%	0.301	26%	0.259	S	S	.	.	S	Bend	trans	-117.4	151	-178.6	-173.3	0	0	0	0	111.3	F185 V186 S189	F185-S191 WeakPolarHBondContact CD1-O 3.48Å; F185-S191 WeakPolarHBondContact CE1-O 3.27Å; V186-S191 WeakPolarHBondContact CA-O 3.4Å; V186-S191 WeakPolarHBondContact CG2-O 3.38Å; S189-S191 PolarHBondContact O-N 3.05Å; S189-S191 PolarHBondContact OG-N 3.28Å; S189-S191 PolarHBondContact OG-O 3Å
192	S	95	Very high	95.7	Very high	23 Å²	23	46.6 Å²	46.6	16%	0.161	26%	0.259	C	S	.	.			trans	-89.2	131.2	177.5	-174	0	0	0	0	110	E159 F194	E159-S192 WeakPolarHBondContact OE2-CB 3.34Å; E159-S192 PolarHBondContact OE2-OG 2.96Å; S192-F194 PolarHBondContact O-N 2.99Å
193	P	97.6	Very high	95.7	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.084	26%	0.264	C	S	.	.	S	Bend	trans	-68.9	-20.8	-174.3	24.8	-31.7	0	0	0	114	V182 F185 Y211	V182-P193 HydrophobicContact CB-CG 4.36Å; V182-P193 HydrophobicContact CG1-CG 3.93Å; V182-P193 HydrophobicContact CG2-CG 4.3Å; F185-P193 HydrophobicContact CB-CB 4.44Å; F185-P193 HydrophobicContact CB-CG 4.09Å; F185-P193 HydrophobicContact CD1-CB 3.8Å; F185-P193 HydrophobicContact CD1-CG 3.97Å; F185-P193 HydrophobicContact CD2-CB 3.82Å; F185-P193 HydrophobicContact CD2-CG 4.39Å; F185-P193 HydrophobicContact CE1-CB 3.89Å; F185-P193 HydrophobicContact CE1-CG 4.49Å; F185-P193 HydrophobicContact CE2-CB 3.9Å; F185-P193 HydrophobicContact CG-CB 3.77Å; F185-P193 HydrophobicContact CG-CG 3.9Å; F185-P193 HydrophobicContact CZ-CB 3.92Å; P193-Y211 HydrophobicContact CB-CG 4.41Å; P193-Y211 WeakPolarHBondContact O-CB 3.36Å
194	F	98.1	Very high	95.7	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.279	C	S	.	.	S	Bend	trans	-128.6	-10.1	-171.4	-56.6	-64.4	0	0	0	114.7	W178 V182 S192 G196 T202 N205 I206 R210 Y211 L233	W178-F194 AromaticContact CE2-CE2 3.93Å; W178-F194 HydrophobicContact CH2-CE1 4.37Å; W178-F194 AromaticContact CH2-CE2 3.88Å; W178-F194 HydrophobicContact CH2-CE2 3.88Å; W178-F194 AromaticContact CH2-CZ 3.6Å; W178-F194 HydrophobicContact CH2-CZ 3.6Å; W178-F194 AromaticContact CZ2-CD2 3.93Å; W178-F194 HydrophobicContact CZ2-CD2 3.93Å; W178-F194 HydrophobicContact CZ2-CE1 4.32Å; W178-F194 AromaticContact CZ2-CE2 3.24Å; W178-F194 HydrophobicContact CZ2-CE2 3.24Å; W178-F194 AromaticContact CZ2-CZ 3.47Å; W178-F194 HydrophobicContact CZ2-CZ 3.47Å; W178-F194 VanDerWaalsContact CZ2-CZ 3.47Å; V182-F194 HydrophobicContact CG2-CD2 4.06Å; V182-F194 HydrophobicContact CG2-CE2 3.94Å; S192-F194 PolarHBondContact O-N 2.99Å; F194-G196 PolarHBondContact O-N 3.26Å; F194-T202 WeakPolarHBondContact O-CA 3.39Å; F194-N205 HydrophobicContact CB-CB 4.01Å; F194-N205 HydrophobicContact CD1-CB 4.11Å; F194-N205 WeakPolarHBondContact O-CB 3.3Å; F194-N205 PolarHBondContact O-ND2 2.79Å; F194-I206 HydrophobicContact CB-CD1 4.44Å; F194-I206 HydrophobicContact CB-CG1 3.62Å; F194-I206 HydrophobicContact CD1-CG1 4.43Å; F194-I206 HydrophobicContact CD2-CG1 4.04Å; F194-I206 HydrophobicContact CG-CG1 3.79Å; F194-R210 WeakPolarHBondContact CD1-O 3.37Å; F194-Y211 AromaticContact CE1-CD1 3.68Å; F194-Y211 HydrophobicContact CE1-CD1 3.68Å; F194-Y211 HydrophobicContact CE1-CG 4.1Å; F194-Y211 AromaticContact CZ-CD1 3.7Å; F194-Y211 HydrophobicContact CZ-CD1 3.7Å; F194-Y211 HydrophobicContact CZ-CE1 4.42Å; F194-Y211 HydrophobicContact CZ-CG 4.2Å; F194-L233 HydrophobicContact CE2-CD1 3.97Å; F194-L233 HydrophobicContact CE2-CD2 4.03Å; F194-L233 HydrophobicContact CZ-CD1 3.94Å; F194-L233 HydrophobicContact CZ-CD2 4.4Å
195	L	96.7	Very high	95.8	Very high	104 Å²	104	50.4 Å²	50.4	55%	0.545	28%	0.281	S	S	.	.			trans	-62.9	118.8	-176.7	-173.5	65.7	0	0	0	110.7	E159	E159-L195 HydrophobicContact CB-CD1 4.39Å
196	G	96	Very high	95.8	Very high	18 Å²	18	50 Å²	50	19%	0.186	28%	0.28	C	S	.	.			trans	-101	-178.4	171.1	0	0	0	0	0	112.2	F194 T198 T202	F194-G196 PolarHBondContact O-N 3.26Å; G196-T198 PolarHBondContact O-N 2.95Å; G196-T202 PolarHBondContact N-OG1 3.44Å
197	E	96.2	Very high	95.9	Very high	187 Å²	187	50.1 Å²	50.1	87%	0.874	28%	0.281	S	S	*	.	S	Bend	trans	-69.5	-22.6	176.5	-62.5	-172.2	166.2	0	0	112.2	E201	E197-E201 PolarHBondContact N-OE2 3.23Å
198	T	97.2	Very high	96.1	Very high	78 Å²	78	53 Å²	53	48%	0.479	30%	0.302	S	S	.	.	S	Bend	trans	-131.5	153.3	178.6	68.1	0	0	0	0	111.1	G196 Q200 E201 T202	G196-T198 PolarHBondContact O-N 2.95Å; T198-Q200 PolarHBondContact O-N 3.15Å; T198-Q200 VanDerWaalsContact O-N 3.15Å; T198-E201 WeakPolarHBondContact O-CB 3.41Å; T198-E201 PolarHBondContact O-N 2.66Å; T198-E201 WeakPolarHBondContact OG1-CB 3.45Å; T198-E201 PolarHBondContact OG1-N 2.71Å; T198-E201 VanDerWaalsContact OG1-N 3.17Å; T198-T202 PolarHBondContact O-N 2.86Å; T198-T202 PolarHBondContact O-OG1 3.2Å
199	R	95.9	Very high	96.3	Very high	116 Å²	116	52.8 Å²	52.8	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-49.8	-40.3	171.3	179.5	179.7	-179.2	137.1	-3.5	112.6	E158 T202 F203	E158-R199 WeakPolarHBondContact OE1-CD 3.43Å; E158-R199 IonicContact OE1-CZ 3.3Å; E158-R199 VanDerWaalsContact OE1-CZ 3.3Å; E158-R199 IonicContact OE1-NE 3.49Å; E158-R199 PolarHBondContact OE1-NE 2.76Å; E158-R199 IonicContact OE1-NH1 2.64Å; E158-R199 PolarHBondContact OE1-NH1 3.14Å; E158-R199 WeakPolarHBondContact OE2-CB 3.16Å; E158-R199 WeakPolarHBondContact OE2-CG 3.3Å; R199-T202 PolarHBondContact O-N 2.99Å; R199-F203 HydrophobicContact CG-CD1 4.36Å; R199-F203 HydrophobicContact CG-CD2 4.25Å; R199-F203 HydrophobicContact CG-CE1 4.05Å; R199-F203 HydrophobicContact CG-CE2 3.95Å; R199-F203 HydrophobicContact CG-CG 4.47Å; R199-F203 HydrophobicContact CG-CZ 3.86Å; R199-F203 WeakPolarHBondContact O-CB 3.21Å; R199-F203 WeakPolarHBondContact O-CD1 3.45Å; R199-F203 WeakPolarHBondContact O-CG 3.47Å; R199-F203 PolarHBondContact O-N 3.42Å
200	Q	96.9	Very high	96.6	Very high	132 Å²	132	58.5 Å²	58.5	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-64.7	-41.5	179.4	-173.9	61.9	37.3	0	0	111.6	T198 F203 C204	T198-Q200 PolarHBondContact O-N 3.15Å; T198-Q200 VanDerWaalsContact O-N 3.15Å; Q200-F203 PolarHBondContact O-N 3.23Å; Q200-C204 WeakPolarHBondContact O-CB 3.32Å; Q200-C204 PolarHBondContact O-N 3.32Å; Q200-C204 PolarHBondContact O-SG 3.35Å
201	E	97.9	Very high	96.9	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.36	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.7	-173.5	179.3	-170	0	0	111.5	E197 T198 F203 C204 N205	E197-E201 PolarHBondContact N-OE2 3.23Å; T198-E201 WeakPolarHBondContact O-CB 3.41Å; T198-E201 PolarHBondContact O-N 2.66Å; T198-E201 WeakPolarHBondContact OG1-CB 3.45Å; T198-E201 PolarHBondContact OG1-N 2.71Å; T198-E201 VanDerWaalsContact OG1-N 3.17Å; E201-F203 VanDerWaalsContact C-N 3.3Å; E201-F203 PolarHBondContact O-N 3.47Å; E201-C204 WeakPolarHBondContact O-CB 3.38Å; E201-C204 PolarHBondContact O-N 3.06Å; E201-C204 VanDerWaalsContact O-N 3.15Å; E201-N205 VanDerWaalsContact O-CG 3.31Å; E201-N205 PolarHBondContact O-N 3.27Å; E201-N205 PolarHBondContact O-ND2 2.75Å
202	T	97.9	Very high	97.2	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-47.2	174.5	-56.2	0	0	0	0	111.1	F194 G196 T198 R199 C204 N205 I206	F194-T202 WeakPolarHBondContact O-CA 3.39Å; G196-T202 PolarHBondContact N-OG1 3.44Å; T198-T202 PolarHBondContact O-N 2.86Å; T198-T202 PolarHBondContact O-OG1 3.2Å; R199-T202 PolarHBondContact O-N 2.99Å; T202-C204 PolarHBondContact O-N 3.43Å; T202-N205 WeakPolarHBondContact O-CB 3.4Å; T202-N205 PolarHBondContact O-N 3.47Å; T202-I206 HydrophobicContact CG2-CD1 3.91Å; T202-I206 WeakPolarHBondContact O-CG1 3.29Å; T202-I206 PolarHBondContact O-N 3.14Å
203	F	97.7	Very high	97.3	Very high	22 Å²	22	61.3 Å²	61.3	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-37.4	179.4	-73	4.1	0	0	0	112.8	L154 E158 V161 I166 R199 Q200 E201 N205 I206 T207	L154-F203 HydrophobicContact CD1-CZ 4.5Å; L154-F203 HydrophobicContact CD2-CE2 4.43Å; E158-F203 HydrophobicContact CB-CE1 4.1Å; E158-F203 HydrophobicContact CG-CE1 4.28Å; E158-F203 HydrophobicContact CG-CZ 4.44Å; V161-F203 HydrophobicContact CG2-CE1 4.26Å; I166-F203 HydrophobicContact CD1-CB 4.02Å; I166-F203 HydrophobicContact CD1-CD1 3.71Å; I166-F203 HydrophobicContact CD1-CE1 4.28Å; I166-F203 HydrophobicContact CD1-CG 3.88Å; I166-F203 HydrophobicContact CG1-CD1 4.33Å; I166-F203 HydrophobicContact CG1-CG 4.39Å; I166-F203 HydrophobicContact CG2-CB 4.19Å; I166-F203 HydrophobicContact CG2-CD2 4.11Å; I166-F203 HydrophobicContact CG2-CG 4.21Å; R199-F203 HydrophobicContact CG-CD1 4.36Å; R199-F203 HydrophobicContact CG-CD2 4.25Å; R199-F203 HydrophobicContact CG-CE1 4.05Å; R199-F203 HydrophobicContact CG-CE2 3.95Å; R199-F203 HydrophobicContact CG-CG 4.47Å; R199-F203 HydrophobicContact CG-CZ 3.86Å; R199-F203 WeakPolarHBondContact O-CB 3.21Å; R199-F203 WeakPolarHBondContact O-CD1 3.45Å; R199-F203 WeakPolarHBondContact O-CG 3.47Å; R199-F203 PolarHBondContact O-N 3.42Å; Q200-F203 PolarHBondContact O-N 3.23Å; E201-F203 VanDerWaalsContact C-N 3.3Å; E201-F203 PolarHBondContact O-N 3.47Å; F203-N205 VanDerWaalsContact C-N 3.35Å; F203-I206 PolarHBondContact O-N 3.26Å; F203-T207 WeakPolarHBondContact O-CB 3.45Å; F203-T207 WeakPolarHBondContact O-CG2 3.17Å; F203-T207 PolarHBondContact O-N 2.89Å; F203-T207 PolarHBondContact O-OG1 3.33Å
204	C	97.8	Very high	97.2	Very high	47 Å²	47	63.9 Å²	63.9	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-40.7	172.3	-74.1	0	0	0	0	111.8	Q200 E201 T202 T207 S208	Q200-C204 WeakPolarHBondContact O-CB 3.32Å; Q200-C204 PolarHBondContact O-N 3.32Å; Q200-C204 PolarHBondContact O-SG 3.35Å; E201-C204 WeakPolarHBondContact O-CB 3.38Å; E201-C204 PolarHBondContact O-N 3.06Å; E201-C204 VanDerWaalsContact O-N 3.15Å; T202-C204 PolarHBondContact O-N 3.43Å; C204-T207 PolarHBondContact O-OG1 3.29Å; C204-S208 WeakPolarHBondContact O-CB 3.49Å; C204-S208 PolarHBondContact O-N 2.64Å; C204-S208 PolarHBondContact O-OG 2.82Å
205	N	98.2	Very high	97	Very high	16 Å²	16	68.2 Å²	68.2	9%	0.086	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-48.8	176.2	-70.4	-21.6	0	0	0	111.4	F194 E201 T202 F203 S208 V209 R210	F194-N205 HydrophobicContact CB-CB 4.01Å; F194-N205 HydrophobicContact CD1-CB 4.11Å; F194-N205 WeakPolarHBondContact O-CB 3.3Å; F194-N205 PolarHBondContact O-ND2 2.79Å; E201-N205 VanDerWaalsContact O-CG 3.31Å; E201-N205 PolarHBondContact O-N 3.27Å; E201-N205 PolarHBondContact O-ND2 2.75Å; T202-N205 WeakPolarHBondContact O-CB 3.4Å; T202-N205 PolarHBondContact O-N 3.47Å; F203-N205 VanDerWaalsContact C-N 3.35Å; N205-S208 PolarHBondContact O-N 3.49Å; N205-V209 WeakPolarHBondContact O-CA 3.43Å; N205-V209 PolarHBondContact O-N 3.49Å; N205-R210 PolarHBondContact O-N 3.33Å; N205-R210 PolarHBondContact OD1-NE 3.49Å; N205-R210 PolarHBondContact OD1-NH2 2.96Å
206	I	98.1	Very high	96.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-54.2	179	-67.2	167	0	0	0	110.7	E158 V161 P163 I166 W178 F194 T202 F203 S208 V209	E158-I206 WeakPolarHBondContact O-CD1 3.38Å; V161-I206 HydrophobicContact CG2-CD1 3.96Å; V161-I206 WeakPolarHBondContact O-CG2 3.43Å; P163-I206 HydrophobicContact CB-CG2 4.4Å; P163-I206 HydrophobicContact CG-CG2 3.9Å; I166-I206 HydrophobicContact CD1-CB 3.66Å; I166-I206 HydrophobicContact CD1-CD1 3.87Å; I166-I206 HydrophobicContact CD1-CG1 4.36Å; I166-I206 HydrophobicContact CD1-CG2 3.46Å; I166-I206 VanDerWaalsContact CD1-CG2 3.46Å; W178-I206 HydrophobicContact CH2-CG2 4.46Å; W178-I206 HydrophobicContact CZ2-CB 4.46Å; W178-I206 HydrophobicContact CZ2-CG2 3.77Å; F194-I206 HydrophobicContact CB-CD1 4.44Å; F194-I206 HydrophobicContact CB-CG1 3.62Å; F194-I206 HydrophobicContact CD1-CG1 4.43Å; F194-I206 HydrophobicContact CD2-CG1 4.04Å; F194-I206 HydrophobicContact CG-CG1 3.79Å; T202-I206 HydrophobicContact CG2-CD1 3.91Å; T202-I206 WeakPolarHBondContact O-CG1 3.29Å; T202-I206 PolarHBondContact O-N 3.14Å; F203-I206 PolarHBondContact O-N 3.26Å; I206-S208 VanDerWaalsContact C-N 3.25Å; I206-S208 PolarHBondContact O-N 2.8Å; I206-V209 PolarHBondContact O-N 3.06Å
207	T	96.6	Very high	96.6	Very high	27 Å²	27	74.1 Å²	74.1	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-65.9	-27.1	-175.8	52.4	0	0	0	0	113.6	I166 F203 C204	I166-T207 HydrophobicContact CB-CG2 3.87Å; I166-T207 HydrophobicContact CD1-CG2 4.13Å; I166-T207 HydrophobicContact CG2-CG2 3.58Å; F203-T207 WeakPolarHBondContact O-CB 3.45Å; F203-T207 WeakPolarHBondContact O-CG2 3.17Å; F203-T207 PolarHBondContact O-N 2.89Å; F203-T207 PolarHBondContact O-OG1 3.33Å; C204-T207 PolarHBondContact O-OG1 3.29Å
208	S	97.3	Very high	96.5	Very high	78 Å²	78	65.3 Å²	65.3	55%	0.545	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.2	174	-50.4	0	0	0	0	113.2	C204 N205 I206 R210	C204-S208 WeakPolarHBondContact O-CB 3.49Å; C204-S208 PolarHBondContact O-N 2.64Å; C204-S208 PolarHBondContact O-OG 2.82Å; N205-S208 PolarHBondContact O-N 3.49Å; I206-S208 VanDerWaalsContact C-N 3.25Å; I206-S208 PolarHBondContact O-N 2.8Å; S208-R210 PolarHBondContact O-N 2.74Å
209	V	97.7	Very high	96.4	Very high	34 Å²	34	65.6 Å²	65.6	21%	0.206	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	47.2	-172.7	-165.4	0	0	0	0	111.2	W178 N205 I206 Y211 L233 R235	W178-V209 HydrophobicContact CH2-CG1 4.16Å; W178-V209 HydrophobicContact CH2-CG2 4.09Å; W178-V209 HydrophobicContact CZ3-CG1 4.36Å; W178-V209 HydrophobicContact CZ3-CG2 4.27Å; N205-V209 WeakPolarHBondContact O-CA 3.43Å; N205-V209 PolarHBondContact O-N 3.49Å; I206-V209 PolarHBondContact O-N 3.06Å; V209-Y211 HydrophobicContact CG1-CD1 4.18Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; V209-L233 VanDerWaalsContact CG1-O 3.27Å; V209-L233 WeakPolarHBondContact CG1-O 3.42Å; V209-R235 HydrophobicContact CG2-CB 3.6Å; V209-R235 HydrophobicContact CG2-CG 4.06Å
210	R	97.8	Very high	96.2	Very high	139 Å²	139	65.4 Å²	65.4	53%	0.525	35%	0.354	S	S	.	.			trans	-96.4	99.1	-177.7	178.4	174	52.6	-179.2	-5.9	109.4	F194 N205 S208	F194-R210 WeakPolarHBondContact CD1-O 3.37Å; N205-R210 PolarHBondContact O-N 3.33Å; N205-R210 PolarHBondContact OD1-NE 3.49Å; N205-R210 PolarHBondContact OD1-NH2 2.96Å; S208-R210 PolarHBondContact O-N 2.74Å
211	Y	97.7	Very high	96.1	Very high	52 Å²	52	59.7 Å²	59.7	20%	0.204	33%	0.328	C	S	.	.			trans	-144.3	160.4	169.1	71.5	-80	0	0	0	108.7	F185 P193 F194 V209 F213 I229 R230 L233	F185-Y211 HydrophobicContact CD2-CD2 4.38Å; F185-Y211 HydrophobicContact CE2-CD2 4.02Å; P193-Y211 HydrophobicContact CB-CG 4.41Å; P193-Y211 WeakPolarHBondContact O-CB 3.36Å; F194-Y211 AromaticContact CE1-CD1 3.68Å; F194-Y211 HydrophobicContact CE1-CD1 3.68Å; F194-Y211 HydrophobicContact CE1-CG 4.1Å; F194-Y211 AromaticContact CZ-CD1 3.7Å; F194-Y211 HydrophobicContact CZ-CD1 3.7Å; F194-Y211 HydrophobicContact CZ-CE1 4.42Å; F194-Y211 HydrophobicContact CZ-CG 4.2Å; V209-Y211 HydrophobicContact CG1-CD1 4.18Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; Y211-F213 HydrophobicContact CE2-CE1 4.43Å; Y211-F213 AromaticContact CE2-CE2 3.9Å; Y211-F213 HydrophobicContact CE2-CE2 3.9Å; Y211-F213 AromaticContact CE2-CZ 3.8Å; Y211-F213 HydrophobicContact CE2-CZ 3.8Å; Y211-I229 HydrophobicContact CE2-CG2 4.28Å; Y211-R230 WeakPolarHBondContact OH-CA 3.46Å; Y211-R230 WeakPolarHBondContact OH-CG 3.48Å; Y211-L233 HydrophobicContact CD1-CD1 4.25Å; Y211-L233 HydrophobicContact CD2-CD1 4.35Å; Y211-L233 HydrophobicContact CE1-CB 3.8Å; Y211-L233 HydrophobicContact CE1-CD1 4.03Å; Y211-L233 HydrophobicContact CE2-CD1 4.14Å; Y211-L233 HydrophobicContact CG-CD1 4.4Å
212	D	96.9	Very high	96.1	Very high	109 Å²	109	57.9 Å²	57.9	58%	0.583	32%	0.324	S	S	*	.			trans	-135.9	173.2	171	62.7	29	0	0	0	111.2	F185 D214	F185-D212 VanDerWaalsContact CE2-O 3.29Å; F185-D212 WeakPolarHBondContact CE2-O 3.48Å; F185-D212 WeakPolarHBondContact CZ-O 3.35Å; D212-D214 PolarHBondContact OD1-N 2.86Å
213	F	97.3	Very high	96.1	Very high	36 Å²	36	61.6 Å²	61.6	16%	0.158	36%	0.355	C	S	.	.			trans	-106.7	73.1	173.1	-64.9	-72.5	0	0	0	108.2	F185 Y211 S215 F218 K226 I229 R230	F185-F213 HydrophobicContact CD2-CD1 4.43Å; F185-F213 HydrophobicContact CD2-CE1 4.06Å; F185-F213 HydrophobicContact CE2-CD1 4.04Å; F185-F213 HydrophobicContact CE2-CE1 4.08Å; Y211-F213 HydrophobicContact CE2-CE1 4.43Å; Y211-F213 AromaticContact CE2-CE2 3.9Å; Y211-F213 HydrophobicContact CE2-CE2 3.9Å; Y211-F213 AromaticContact CE2-CZ 3.8Å; Y211-F213 HydrophobicContact CE2-CZ 3.8Å; F213-S215 PolarHBondContact O-N 3.2Å; F213-F218 HydrophobicContact CB-CB 4.05Å; F213-F218 HydrophobicContact CB-CD2 4.09Å; F213-F218 HydrophobicContact CB-CG 4.02Å; F213-F218 AromaticContact CD1-CD1 3.71Å; F213-F218 HydrophobicContact CD1-CD1 3.71Å; F213-F218 HydrophobicContact CD1-CD2 4.05Å; F213-F218 AromaticContact CD1-CE1 3.69Å; F213-F218 HydrophobicContact CD1-CE1 3.69Å; F213-F218 HydrophobicContact CD1-CE2 4.02Å; F213-F218 AromaticContact CD1-CG 3.9Å; F213-F218 HydrophobicContact CD1-CG 3.9Å; F213-F218 AromaticContact CD1-CZ 3.83Å; F213-F218 HydrophobicContact CD1-CZ 3.83Å; F213-F218 HydrophobicContact CE1-CD1 4.44Å; F213-F218 HydrophobicContact CE1-CE1 4.08Å; F213-F218 HydrophobicContact CE1-CZ 4.29Å; F213-F218 HydrophobicContact CG-CG 4.46Å; F213-K226 HydrophobicContact CB-CD 4.37Å; F213-K226 HydrophobicContact CD1-CB 4.49Å; F213-K226 HydrophobicContact CD1-CD 4.42Å; F213-K226 HydrophobicContact CD1-CG 3.88Å; F213-K226 HydrophobicContact CD2-CB 4.32Å; F213-K226 HydrophobicContact CD2-CD 4.38Å; F213-K226 HydrophobicContact CD2-CG 4.26Å; F213-K226 HydrophobicContact CE1-CB 4.15Å; F213-K226 HydrophobicContact CE1-CG 3.93Å; F213-K226 HydrophobicContact CE2-CB 3.97Å; F213-K226 HydrophobicContact CE2-CG 4.31Å; F213-K226 HydrophobicContact CG-CD 4.15Å; F213-K226 HydrophobicContact CG-CG 4.03Å; F213-K226 HydrophobicContact CZ-CB 3.86Å; F213-K226 HydrophobicContact CZ-CG 4.14Å; F213-I229 HydrophobicContact CE1-CB 4.29Å; F213-I229 HydrophobicContact CE1-CD1 3.96Å; F213-I229 HydrophobicContact CE1-CG2 4.15Å; F213-I229 HydrophobicContact CZ-CB 4.04Å; F213-I229 HydrophobicContact CZ-CG2 3.93Å; F213-R230 HydrophobicContact CE2-CG 3.98Å; F213-R230 HydrophobicContact CZ-CG 4.31Å
214	D	95.1	Very high	96.1	Very high	66 Å²	66	67.2 Å²	67.2	35%	0.353	39%	0.385	S	S	.	.			trans	-48.3	130.1	178.7	-164.5	-39.9	0	0	0	110.6	D212 E216 Y217 F218	D212-D214 PolarHBondContact OD1-N 2.86Å; D214-E216 PolarHBondContact O-N 3.46Å; D214-E216 WeakPolarHBondContact OD1-CB 3.33Å; D214-E216 PolarHBondContact OD1-N 2.96Å; D214-Y217 HydrophobicContact CB-CD2 3.99Å; D214-Y217 HydrophobicContact CB-CE2 4.43Å; D214-Y217 PolarHBondContact O-N 3.45Å; D214-Y217 VanDerWaalsContact O-N 3.12Å; D214-F218 WeakPolarHBondContact O-CB 3.43Å; D214-F218 PolarHBondContact O-N 2.93Å
215	S	93.5	Very high	96.1	Very high	93 Å²	93	65.8 Å²	65.8	65%	0.65	38%	0.377	S	S	*	.	H	α-helix	trans	-56.5	-27.1	177	55.6	0	0	0	0	113.4	F213 Y217 A219	F213-S215 PolarHBondContact O-N 3.2Å; S215-Y217 VanDerWaalsContact C-N 3.31Å; S215-Y217 PolarHBondContact O-N 3.15Å; S215-A219 WeakPolarHBondContact O-CB 3.44Å; S215-A219 PolarHBondContact O-N 3.36Å
216	E	93.1	Very high	96.1	Very high	143 Å²	143	66.9 Å²	66.9	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-59.1	-43.6	175.7	-174.6	174.9	165.4	0	0	111.6	D214	D214-E216 PolarHBondContact O-N 3.46Å; D214-E216 WeakPolarHBondContact OD1-CB 3.33Å; D214-E216 PolarHBondContact OD1-N 2.96Å
217	Y	91.9	Very high	96.1	Very high	102 Å²	102	70.3 Å²	70.3	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-98.5	-29.2	-176.3	-49.8	-62.9	0	0	0	113.3	D214 S215	D214-Y217 HydrophobicContact CB-CD2 3.99Å; D214-Y217 HydrophobicContact CB-CE2 4.43Å; D214-Y217 PolarHBondContact O-N 3.45Å; D214-Y217 VanDerWaalsContact O-N 3.12Å; S215-Y217 VanDerWaalsContact C-N 3.31Å; S215-Y217 PolarHBondContact O-N 3.15Å
218	F	94.9	Very high	96.2	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.009	41%	0.407	C	S	.	.	H	α-helix	trans	-113.6	14.3	-169.1	-72	-85.1	0	0	0	114.4	F185 L188 S189 F213 D214 S220 T221 K226	F185-F218 HydrophobicContact CD1-CE2 4.38Å; F185-F218 AromaticContact CD1-CZ 3.96Å; F185-F218 HydrophobicContact CD1-CZ 3.96Å; F185-F218 HydrophobicContact CD2-CE2 4.25Å; F185-F218 AromaticContact CD2-CZ 3.66Å; F185-F218 HydrophobicContact CD2-CZ 3.66Å; F185-F218 AromaticContact CE1-CE2 3.74Å; F185-F218 HydrophobicContact CE1-CE2 3.74Å; F185-F218 AromaticContact CE1-CZ 3.79Å; F185-F218 HydrophobicContact CE1-CZ 3.79Å; F185-F218 AromaticContact CE2-CE2 3.58Å; F185-F218 HydrophobicContact CE2-CE2 3.58Å; F185-F218 AromaticContact CE2-CZ 3.48Å; F185-F218 HydrophobicContact CE2-CZ 3.48Å; F185-F218 VanDerWaalsContact CE2-CZ 3.48Å; F185-F218 AromaticContact CG-CZ 3.91Å; F185-F218 HydrophobicContact CG-CZ 3.91Å; F185-F218 HydrophobicContact CZ-CD2 4.49Å; F185-F218 AromaticContact CZ-CE2 3.31Å; F185-F218 HydrophobicContact CZ-CE2 3.31Å; F185-F218 AromaticContact CZ-CZ 3.56Å; F185-F218 HydrophobicContact CZ-CZ 3.56Å; L188-F218 HydrophobicContact CB-CE1 4.23Å; S189-F218 VanDerWaalsContact CB-CE2 3.46Å; S189-F218 VanDerWaalsContact CB-CZ 3.43Å; F213-F218 HydrophobicContact CB-CB 4.05Å; F213-F218 HydrophobicContact CB-CD2 4.09Å; F213-F218 HydrophobicContact CB-CG 4.02Å; F213-F218 AromaticContact CD1-CD1 3.71Å; F213-F218 HydrophobicContact CD1-CD1 3.71Å; F213-F218 HydrophobicContact CD1-CD2 4.05Å; F213-F218 AromaticContact CD1-CE1 3.69Å; F213-F218 HydrophobicContact CD1-CE1 3.69Å; F213-F218 HydrophobicContact CD1-CE2 4.02Å; F213-F218 AromaticContact CD1-CG 3.9Å; F213-F218 HydrophobicContact CD1-CG 3.9Å; F213-F218 AromaticContact CD1-CZ 3.83Å; F213-F218 HydrophobicContact CD1-CZ 3.83Å; F213-F218 HydrophobicContact CE1-CD1 4.44Å; F213-F218 HydrophobicContact CE1-CE1 4.08Å; F213-F218 HydrophobicContact CE1-CZ 4.29Å; F213-F218 HydrophobicContact CG-CG 4.46Å; D214-F218 WeakPolarHBondContact O-CB 3.43Å; D214-F218 PolarHBondContact O-N 2.93Å; F218-S220 VanDerWaalsContact C-N 3.3Å; F218-S220 PolarHBondContact O-N 3.24Å; F218-T221 HydrophobicContact CD1-CG2 3.9Å; F218-T221 WeakPolarHBondContact CD1-OG1 3.35Å; F218-T221 HydrophobicContact CE1-CG2 4.42Å; F218-T221 PolarHBondContact O-N 3.41Å; F218-K226 WeakPolarHBondContact O-CE 3.36Å; F218-K226 PolarHBondContact O-NZ 2.85Å
219	A	93.7	Very high	96.3	Very high	84 Å²	84	68.9 Å²	68.9	69%	0.694	38%	0.381	S	S	*	.	S	Bend	trans	-57.6	-41.3	178.5	0	0	0	0	0	113.1	S215	S215-A219 WeakPolarHBondContact O-CB 3.44Å; S215-A219 PolarHBondContact O-N 3.36Å
220	S	92	Very high	96.3	Very high	112 Å²	112	72.8 Å²	72.8	78%	0.783	39%	0.392	S	S	*	.	S	Bend	trans	-89.9	-8.7	-179.6	54.1	0	0	0	0	113.8	F218	F218-S220 VanDerWaalsContact C-N 3.3Å; F218-S220 PolarHBondContact O-N 3.24Å
221	T	95.2	Very high	96.3	Very high	13 Å²	13	72.1 Å²	72.1	8%	0.08	39%	0.394	C	S	.	.	S	Bend	trans	-77	131.5	-176.6	-47.1	0	0	0	0	112	E92 L188 F218 A225 K226	E92-T221 WeakPolarHBondContact OE1-CA 3.47Å; L188-T221 HydrophobicContact CD1-CG2 4.08Å; F218-T221 HydrophobicContact CD1-CG2 3.9Å; F218-T221 WeakPolarHBondContact CD1-OG1 3.35Å; F218-T221 HydrophobicContact CE1-CG2 4.42Å; F218-T221 PolarHBondContact O-N 3.41Å; T221-A225 HydrophobicContact CG2-CB 3.78Å; T221-K226 HydrophobicContact CG2-CG 4.34Å; T221-K226 VanDerWaalsContact O-CE 3.32Å; T221-K226 WeakPolarHBondContact O-CE 3.39Å; T221-K226 PolarHBondContact O-NZ 3.35Å
222	S	97.1	Very high	96.3	Very high	39 Å²	39	70.6 Å²	70.6	27%	0.273	39%	0.39	S	S	.	.			trans	-62.6	152.9	-176.2	75.5	0	0	0	0	112.9	E92 L224 A225 K226	E92-S222 PolarHBondContact OE1-N 3.13Å; E92-S222 WeakPolarHBondContact OE2-CB 3.45Å; E92-S222 PolarHBondContact OE2-OG 3.07Å; S222-L224 PolarHBondContact O-N 3.21Å; S222-A225 PolarHBondContact O-N 3.27Å; S222-A225 WeakPolarHBondContact OG-CB 3.22Å; S222-A225 PolarHBondContact OG-N 3.49Å; S222-A225 VanDerWaalsContact OG-N 3.09Å; S222-K226 WeakPolarHBondContact O-CG 3.48Å; S222-K226 PolarHBondContact O-N 3.37Å
223	A	97.9	Very high	96.4	Very high	80 Å²	80	65.7 Å²	65.7	66%	0.661	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-33.5	173.6	0	0	0	0	0	111.9	D227	A223-D227 VanDerWaalsContact O-CB 3.24Å; A223-D227 WeakPolarHBondContact O-CB 3.21Å; A223-D227 PolarHBondContact O-N 3.02Å
224	L	98.2	Very high	96.3	Very high	140 Å²	140	67.4 Å²	67.4	73%	0.733	37%	0.374	S	S	*	.	H	α-helix	trans	-69	-41.2	178.9	-68.1	176	0	0	0	112.3	S222 D227 F228	S222-L224 PolarHBondContact O-N 3.21Å; L224-D227 PolarHBondContact O-N 3.21Å; L224-F228 WeakPolarHBondContact O-CB 3.49Å; L224-F228 PolarHBondContact O-N 2.79Å
225	A	97.8	Very high	96.3	Very high	16 Å²	16	72 Å²	72	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-65.2	-42.1	175.9	0	0	0	0	0	111.6	L188 T221 S222 D227 F228 I229	L188-A225 HydrophobicContact CD1-CB 3.87Å; T221-A225 HydrophobicContact CG2-CB 3.78Å; S222-A225 PolarHBondContact O-N 3.27Å; S222-A225 WeakPolarHBondContact OG-CB 3.22Å; S222-A225 PolarHBondContact OG-N 3.49Å; S222-A225 VanDerWaalsContact OG-N 3.09Å; A225-D227 VanDerWaalsContact C-N 3.33Å; A225-D227 PolarHBondContact O-N 3.35Å; A225-F228 WeakPolarHBondContact O-CB 3.32Å; A225-F228 PolarHBondContact O-N 3.06Å; A225-I229 WeakPolarHBondContact O-CG1 3.45Å; A225-I229 PolarHBondContact O-N 2.97Å; A225-I229 VanDerWaalsContact O-N 3.09Å
226	K	98.3	Very high	96.1	Very high	39 Å²	39	72.5 Å²	72.5	17%	0.17	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-41.7	173.3	-65.8	173.5	-176.5	173.1	0	111.6	F213 F218 T221 S222 I229 R230	F213-K226 HydrophobicContact CB-CD 4.37Å; F213-K226 HydrophobicContact CD1-CB 4.49Å; F213-K226 HydrophobicContact CD1-CD 4.42Å; F213-K226 HydrophobicContact CD1-CG 3.88Å; F213-K226 HydrophobicContact CD2-CB 4.32Å; F213-K226 HydrophobicContact CD2-CD 4.38Å; F213-K226 HydrophobicContact CD2-CG 4.26Å; F213-K226 HydrophobicContact CE1-CB 4.15Å; F213-K226 HydrophobicContact CE1-CG 3.93Å; F213-K226 HydrophobicContact CE2-CB 3.97Å; F213-K226 HydrophobicContact CE2-CG 4.31Å; F213-K226 HydrophobicContact CG-CD 4.15Å; F213-K226 HydrophobicContact CG-CG 4.03Å; F213-K226 HydrophobicContact CZ-CB 3.86Å; F213-K226 HydrophobicContact CZ-CG 4.14Å; F218-K226 WeakPolarHBondContact O-CE 3.36Å; F218-K226 PolarHBondContact O-NZ 2.85Å; T221-K226 HydrophobicContact CG2-CG 4.34Å; T221-K226 VanDerWaalsContact O-CE 3.32Å; T221-K226 WeakPolarHBondContact O-CE 3.39Å; T221-K226 PolarHBondContact O-NZ 3.35Å; S222-K226 WeakPolarHBondContact O-CG 3.48Å; S222-K226 PolarHBondContact O-N 3.37Å; K226-I229 PolarHBondContact O-N 3.26Å; K226-R230 WeakPolarHBondContact O-CG 3.45Å; K226-R230 PolarHBondContact O-N 3.21Å
227	D	98.4	Very high	95.5	Very high	72 Å²	72	67.9 Å²	67.9	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176.7	-170.7	69.3	0	0	0	112.2	A223 L224 A225 I229 R230 H231	A223-D227 VanDerWaalsContact O-CB 3.24Å; A223-D227 WeakPolarHBondContact O-CB 3.21Å; A223-D227 PolarHBondContact O-N 3.02Å; L224-D227 PolarHBondContact O-N 3.21Å; A225-D227 VanDerWaalsContact C-N 3.33Å; A225-D227 PolarHBondContact O-N 3.35Å; D227-I229 PolarHBondContact O-N 3.18Å; D227-R230 PolarHBondContact O-N 3.4Å; D227-H231 VanDerWaalsContact CG-CE1 3.49Å; D227-H231 PolarHBondContact O-N 3.29Å; D227-H231 VanDerWaalsContact O-N 3.09Å; D227-H231 PolarHBondContact O-ND1 2.67Å; D227-H231 IonicContact OD1-CE1 3.76Å; D227-H231 PolarHBondContact OD1-CE1 2.96Å; D227-H231 VanDerWaalsContact OD1-CE1 3.22Å; D227-H231 IonicContact OD1-ND1 3.76Å; D227-H231 IonicContact OD2-CE1 3.86Å; D227-H231 PolarHBondContact OD2-CE1 3.17Å; D227-H231 VanDerWaalsContact OD2-CE1 3.25Å; D227-H231 IonicContact OD2-ND1 2.87Å; D227-H231 PolarHBondContact OD2-ND1 2.88Å
228	F	98.5	Very high	94.7	Very high	75 Å²	75	75 Å²	75	33%	0.329	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-47.9	174.1	177.3	-99.3	0	0	0	111.9	I99 L103 L180 T184 L224 A225 R230 H231 L232	I99-F228 HydrophobicContact CG2-CE1 4.05Å; I99-F228 HydrophobicContact CG2-CZ 4Å; L103-F228 HydrophobicContact CD1-CZ 4.32Å; L180-F228 HydrophobicContact CD2-CZ 4.41Å; T184-F228 HydrophobicContact CG2-CD1 4.04Å; T184-F228 HydrophobicContact CG2-CE1 4.04Å; L224-F228 WeakPolarHBondContact O-CB 3.49Å; L224-F228 PolarHBondContact O-N 2.79Å; A225-F228 WeakPolarHBondContact O-CB 3.32Å; A225-F228 PolarHBondContact O-N 3.06Å; F228-R230 PolarHBondContact O-N 2.92Å; F228-H231 PolarHBondContact O-N 3.46Å; F228-L232 HydrophobicContact CD1-CD1 3.98Å; F228-L232 HydrophobicContact CE1-CD1 3.41Å; F228-L232 VanDerWaalsContact CE1-CD1 3.41Å; F228-L232 HydrophobicContact CE2-CD1 4.3Å; F228-L232 HydrophobicContact CZ-CD1 3.61Å; F228-L232 WeakPolarHBondContact O-CG 3.45Å; F228-L232 PolarHBondContact O-N 3.19Å
229	I	98.5	Very high	94.6	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-61.3	-43.7	176.6	-68.7	166.7	0	0	0	111.2	T184 F185 L188 Y211 F213 A225 K226 D227 H231 L232 L233	T184-I229 HydrophobicContact CG2-CD1 4.24Å; T184-I229 HydrophobicContact CG2-CG1 3.99Å; F185-I229 HydrophobicContact CB-CD1 4.14Å; F185-I229 HydrophobicContact CD2-CD1 4.39Å; F185-I229 HydrophobicContact CD2-CG2 4.27Å; L188-I229 HydrophobicContact CD1-CD1 4.1Å; Y211-I229 HydrophobicContact CE2-CG2 4.28Å; F213-I229 HydrophobicContact CE1-CB 4.29Å; F213-I229 HydrophobicContact CE1-CD1 3.96Å; F213-I229 HydrophobicContact CE1-CG2 4.15Å; F213-I229 HydrophobicContact CZ-CB 4.04Å; F213-I229 HydrophobicContact CZ-CG2 3.93Å; A225-I229 WeakPolarHBondContact O-CG1 3.45Å; A225-I229 PolarHBondContact O-N 2.97Å; A225-I229 VanDerWaalsContact O-N 3.09Å; K226-I229 PolarHBondContact O-N 3.26Å; D227-I229 PolarHBondContact O-N 3.18Å; I229-H231 VanDerWaalsContact C-N 3.26Å; I229-H231 PolarHBondContact O-N 3.35Å; I229-L232 PolarHBondContact O-N 2.98Å; I229-L233 HydrophobicContact CG2-CD1 3.56Å; I229-L233 HydrophobicContact CG2-CG 4.01Å; I229-L233 PolarHBondContact O-N 3.12Å
230	R	98.2	Very high	94.7	Very high	116 Å²	116	78.3 Å²	78.3	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-36.5	179	-74.9	-176.8	-166.4	105.7	2.2	113.3	Y211 F213 K226 D227 F228 L232 I234	Y211-R230 WeakPolarHBondContact OH-CA 3.46Å; Y211-R230 WeakPolarHBondContact OH-CG 3.48Å; F213-R230 HydrophobicContact CE2-CG 3.98Å; F213-R230 HydrophobicContact CZ-CG 4.31Å; K226-R230 WeakPolarHBondContact O-CG 3.45Å; K226-R230 PolarHBondContact O-N 3.21Å; D227-R230 PolarHBondContact O-N 3.4Å; F228-R230 PolarHBondContact O-N 2.92Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.15Å; R230-I234 WeakPolarHBondContact O-CG2 3.41Å
231	H	97.6	Very high	94.8	Very high	125 Å²	125	76.4 Å²	76.4	58%	0.579	37%	0.372	S	S	*	.	H	α-helix	trans	-76.7	-12.1	178.3	-72.9	94.9	0	0	0	113.6	D227 F228 I229	D227-H231 VanDerWaalsContact CG-CE1 3.49Å; D227-H231 PolarHBondContact O-N 3.29Å; D227-H231 VanDerWaalsContact O-N 3.09Å; D227-H231 PolarHBondContact O-ND1 2.67Å; D227-H231 IonicContact OD1-CE1 3.76Å; D227-H231 PolarHBondContact OD1-CE1 2.96Å; D227-H231 VanDerWaalsContact OD1-CE1 3.22Å; D227-H231 IonicContact OD1-ND1 3.76Å; D227-H231 IonicContact OD2-CE1 3.86Å; D227-H231 PolarHBondContact OD2-CE1 3.17Å; D227-H231 VanDerWaalsContact OD2-CE1 3.25Å; D227-H231 IonicContact OD2-ND1 2.87Å; D227-H231 PolarHBondContact OD2-ND1 2.88Å; F228-H231 PolarHBondContact O-N 3.46Å; I229-H231 VanDerWaalsContact C-N 3.26Å; I229-H231 PolarHBondContact O-N 3.35Å
232	L	98.3	Very high	94.8	Very high	21 Å²	21	80.2 Å²	80.2	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-96.7	-40.8	174.1	-66.7	176.5	0	0	0	112.3	M177 L180 F228 I229 R230 I234	M177-L232 HydrophobicContact CB-CD2 4.09Å; M177-L232 HydrophobicContact CE-CD2 3.64Å; L180-L232 HydrophobicContact CD2-CD1 4.2Å; L180-L232 HydrophobicContact CG-CD1 4.22Å; F228-L232 HydrophobicContact CD1-CD1 3.98Å; F228-L232 HydrophobicContact CE1-CD1 3.41Å; F228-L232 VanDerWaalsContact CE1-CD1 3.41Å; F228-L232 HydrophobicContact CE2-CD1 4.3Å; F228-L232 HydrophobicContact CZ-CD1 3.61Å; F228-L232 WeakPolarHBondContact O-CG 3.45Å; F228-L232 PolarHBondContact O-N 3.19Å; I229-L232 PolarHBondContact O-N 2.98Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.15Å; L232-I234 VanDerWaalsContact C-N 3.25Å; L232-I234 PolarHBondContact O-N 3.45Å
233	L	98.2	Very high	94.7	Very high	5 Å²	5	82.8 Å²	82.8	3%	0.026	40%	0.396	C	S	.	.	S	Bend	trans	-86.7	63.3	-177.6	-60.1	-175	0	0	0	111.3	W178 V182 F194 V209 Y211 I229	W178-L233 HydrophobicContact CD2-CD2 3.93Å; W178-L233 HydrophobicContact CE3-CD2 4.1Å; W178-L233 HydrophobicContact CG-CD2 4.41Å; W178-L233 HydrophobicContact CH2-CD2 4.5Å; W178-L233 HydrophobicContact CZ2-CD2 4.34Å; W178-L233 HydrophobicContact CZ3-CB 4.28Å; W178-L233 HydrophobicContact CZ3-CD2 4.38Å; V182-L233 HydrophobicContact CG2-CD2 3.9Å; F194-L233 HydrophobicContact CE2-CD1 3.97Å; F194-L233 HydrophobicContact CE2-CD2 4.03Å; F194-L233 HydrophobicContact CZ-CD1 3.94Å; F194-L233 HydrophobicContact CZ-CD2 4.4Å; V209-L233 VanDerWaalsContact CG1-O 3.27Å; V209-L233 WeakPolarHBondContact CG1-O 3.42Å; Y211-L233 HydrophobicContact CD1-CD1 4.25Å; Y211-L233 HydrophobicContact CD2-CD1 4.35Å; Y211-L233 HydrophobicContact CE1-CB 3.8Å; Y211-L233 HydrophobicContact CE1-CD1 4.03Å; Y211-L233 HydrophobicContact CE2-CD1 4.14Å; Y211-L233 HydrophobicContact CG-CD1 4.4Å; I229-L233 HydrophobicContact CG2-CD1 3.56Å; I229-L233 HydrophobicContact CG2-CG 4.01Å; I229-L233 PolarHBondContact O-N 3.12Å
234	I	96.6	Very high	94.5	Very high	73 Å²	73	82.9 Å²	82.9	37%	0.374	38%	0.379	S	S	.	.			trans	-108	142.3	178.1	58.4	178.2	0	0	0	110.8	W178 R230 L232	W178-I234 WeakPolarHBondContact CZ3-O 3.16Å; R230-I234 WeakPolarHBondContact O-CG2 3.41Å; L232-I234 VanDerWaalsContact C-N 3.25Å; L232-I234 PolarHBondContact O-N 3.45Å
235	R	93.9	Very high	94.2	Very high	163 Å²	163	78.9 Å²	78.9	62%	0.615	35%	0.353	S	S	*	.	S	Bend	trans	-66.5	-46	-176.2	-171.7	177	173.3	171.4	1.6	112.9	V209	V209-R235 HydrophobicContact CG2-CB 3.6Å; V209-R235 HydrophobicContact CG2-CG 4.06Å
236	D	90.2	Very high	93.9	Very high	103 Å²	103	83.7 Å²	83.7	55%	0.551	37%	0.37	S	S	*	.			trans	-114	113.8	177.7	-171.2	-7.9	0	0	0	107.6	R238	D236-R238 PolarHBondContact O-N 2.84Å; D236-R238 WeakPolarHBondContact OD1-CB 3.48Å; D236-R238 PolarHBondContact OD1-N 2.81Å
237	P	80.5	Confident	93.6	Very high	45 Å²	45	87.4 Å²	87.4	29%	0.292	39%	0.387	S	S	.	.			trans	-79.1	0.8	179.8	30.3	-33.7	0	0	0	114.4	A174	A174-P237 HydrophobicContact CB-CB 3.36Å; A174-P237 HydrophobicContact CB-CG 3.89Å
238	R	74	Confident	93.1	Very high	251 Å²	251	88.8 Å²	88.8	95%	0.947	39%	0.387	S	S	*	.			trans	-89.2	0	-175.6	-63.5	-177.4	-174.4	174.3	4.6	114.9	D236	D236-R238 PolarHBondContact O-N 2.84Å; D236-R238 WeakPolarHBondContact OD1-CB 3.48Å; D236-R238 PolarHBondContact OD1-N 2.81Å

Retrieved 238 of 238 residues in 234.2 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).